data_18514 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18514 _Entry.PDB_ID 2LUA 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 18514 _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 PRO HA H 9 4.783 4.783 4.673 0.110 18514 2 1 1 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.211 -0.404 18514 3 1 1 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.683 -0.892 18514 4 1 1 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.400 0.003 18514 5 1 1 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.029 -0.295 18514 6 1 1 . 1 1 3 3 PRO CB C 10 31.888 31.888 31.936 -0.048 18514 7 1 1 . 1 1 4 4 LYS N N 11 124.307 124.307 123.994 0.313 18514 8 1 1 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.617 -0.102 18514 9 1 1 . 1 1 4 4 LYS C C 11 173.272 173.272 174.874 -1.602 18514 10 1 1 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.153 1.128 18514 11 1 1 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.174 -0.254 18514 12 1 1 . 1 1 4 4 LYS H H 11 8.380 8.380 8.331 0.049 18514 13 1 1 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.494 -0.058 18514 14 1 1 . 1 1 5 5 PRO C C 12 127.380 127.380 175.585 -48.205 18514 15 1 1 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.603 0.190 18514 16 1 1 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.424 -0.342 18514 17 1 1 . 1 1 6 6 LYS N N 13 118.851 118.851 118.761 0.090 18514 18 1 1 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.562 0.585 18514 19 1 1 . 1 1 6 6 LYS C C 13 173.408 173.408 175.149 -1.741 18514 20 1 1 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.659 -0.202 18514 21 1 1 . 1 1 6 6 LYS CB C 13 34.841 34.841 34.413 0.428 18514 22 1 1 . 1 1 6 6 LYS H H 13 8.064 8.064 8.061 0.003 18514 23 1 1 . 1 1 7 7 CYS N N 14 127.385 127.385 118.359 9.026 18514 24 1 1 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.918 0.310 18514 25 1 1 . 1 1 7 7 CYS C C 14 173.408 173.408 173.808 -0.400 18514 26 1 1 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.649 -0.057 18514 27 1 1 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.673 3.188 18514 28 1 1 . 1 1 7 7 CYS H H 14 9.943 9.943 8.018 1.925 18514 29 1 1 . 1 1 8 8 ARG N N 15 117.940 117.940 118.994 -1.054 18514 30 1 1 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.765 -0.419 18514 31 1 1 . 1 1 8 8 ARG C C 15 175.808 175.808 175.909 -0.101 18514 32 1 1 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.308 -0.937 18514 33 1 1 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.656 0.075 18514 34 1 1 . 1 1 8 8 ARG H H 15 8.835 8.835 8.675 0.160 18514 35 1 1 . 1 1 9 9 CYS N N 16 122.323 122.323 118.904 3.419 18514 36 1 1 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.706 -0.682 18514 37 1 1 . 1 1 9 9 CYS C C 16 174.360 174.360 176.107 -1.747 18514 38 1 1 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.520 -0.281 18514 39 1 1 . 1 1 9 9 CYS CB C 16 32.451 32.451 24.907 7.544 18514 40 1 1 . 1 1 9 9 CYS H H 16 7.433 7.433 8.493 -1.060 18514 41 1 1 . 1 1 10 10 GLY N N 17 108.065 108.065 115.206 -7.141 18514 42 1 1 . 1 1 10 10 GLY C C 17 174.518 174.518 175.849 -1.331 18514 43 1 1 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.883 -0.323 18514 44 1 1 . 1 1 10 10 GLY H H 17 8.788 8.788 9.151 -0.363 18514 45 1 1 . 1 1 11 11 ILE N N 18 118.990 118.990 123.087 -4.097 18514 46 1 1 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.212 -0.235 18514 47 1 1 . 1 1 11 11 ILE C C 18 173.820 173.820 176.372 -2.552 18514 48 1 1 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.978 0.612 18514 49 1 1 . 1 1 11 11 ILE CB C 18 38.724 38.724 37.947 0.777 18514 50 1 1 . 1 1 11 11 ILE H H 18 7.557 7.557 8.075 -0.518 18514 51 1 1 . 1 1 12 12 SER N N 19 116.128 116.128 112.883 3.245 18514 52 1 1 . 1 1 12 12 SER HA H 19 4.510 4.510 4.678 -0.168 18514 53 1 1 . 1 1 12 12 SER C C 19 172.948 172.948 174.674 -1.726 18514 54 1 1 . 1 1 12 12 SER CA C 19 58.200 58.200 57.333 0.867 18514 55 1 1 . 1 1 12 12 SER CB C 19 63.800 63.800 66.097 -2.297 18514 56 1 1 . 1 1 12 12 SER H H 19 8.418 8.418 8.385 0.033 18514 57 1 1 . 1 1 13 13 GLY N N 20 110.984 110.984 110.447 0.537 18514 58 1 1 . 1 1 13 13 GLY C C 20 172.948 172.948 173.894 -0.946 18514 59 1 1 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.783 -0.385 18514 60 1 1 . 1 1 13 13 GLY H H 20 8.243 8.243 8.555 -0.312 18514 61 1 1 . 1 1 14 14 SER N N 21 114.951 114.951 119.357 -4.406 18514 62 1 1 . 1 1 14 14 SER HA H 21 4.535 4.535 4.615 -0.080 18514 63 1 1 . 1 1 14 14 SER C C 21 175.376 175.376 173.058 2.318 18514 64 1 1 . 1 1 14 14 SER CA C 21 57.930 57.930 57.510 0.420 18514 65 1 1 . 1 1 14 14 SER CB C 21 64.080 64.080 64.410 -0.330 18514 66 1 1 . 1 1 14 14 SER H H 21 8.250 8.250 8.160 0.090 18514 67 1 1 . 1 1 15 15 SER N N 22 118.334 118.334 122.626 -4.292 18514 68 1 1 . 1 1 15 15 SER HA H 22 4.449 4.449 4.556 -0.107 18514 69 1 1 . 1 1 15 15 SER C C 22 174.863 174.863 173.512 1.351 18514 70 1 1 . 1 1 15 15 SER CA C 22 57.767 57.767 58.538 -0.771 18514 71 1 1 . 1 1 15 15 SER CB C 22 63.598 63.598 63.914 -0.316 18514 72 1 1 . 1 1 15 15 SER H H 22 8.427 8.427 8.560 -0.133 18514 73 1 1 . 1 1 16 16 ASN N N 23 120.784 120.784 123.979 -3.195 18514 74 1 1 . 1 1 16 16 ASN HA H 23 4.810 4.810 5.010 -0.200 18514 75 1 1 . 1 1 16 16 ASN C C 23 175.364 175.364 174.927 0.437 18514 76 1 1 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.032 1.142 18514 77 1 1 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.850 -2.384 18514 78 1 1 . 1 1 16 16 ASN H H 23 8.453 8.453 8.297 0.156 18514 79 1 1 . 1 1 17 17 THR N N 24 115.660 115.660 115.723 -0.063 18514 80 1 1 . 1 1 17 17 THR HA H 24 4.346 4.346 4.581 -0.235 18514 81 1 1 . 1 1 17 17 THR C C 24 173.428 173.428 176.005 -2.577 18514 82 1 1 . 1 1 17 17 THR CA C 24 62.126 62.126 65.090 -2.964 18514 83 1 1 . 1 1 17 17 THR CB C 24 68.777 68.777 69.846 -1.069 18514 84 1 1 . 1 1 17 17 THR H H 24 8.417 8.417 8.636 -0.219 18514 85 1 1 . 1 1 18 18 LEU N N 25 121.190 121.190 119.028 2.162 18514 86 1 1 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.620 -0.326 18514 87 1 1 . 1 1 18 18 LEU C C 25 173.951 173.951 177.622 -3.671 18514 88 1 1 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.586 -0.338 18514 89 1 1 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.171 0.136 18514 90 1 1 . 1 1 18 18 LEU H H 25 8.218 8.218 7.860 0.358 18514 91 1 1 . 1 1 19 19 THR N N 26 106.988 106.988 109.459 -2.471 18514 92 1 1 . 1 1 19 19 THR HA H 26 4.230 4.230 4.236 -0.006 18514 93 1 1 . 1 1 19 19 THR C C 26 171.429 171.429 175.664 -4.235 18514 94 1 1 . 1 1 19 19 THR CA C 26 60.631 60.631 62.964 -2.333 18514 95 1 1 . 1 1 19 19 THR CB C 26 68.296 68.296 68.748 -0.452 18514 96 1 1 . 1 1 19 19 THR H H 26 7.791 7.791 7.731 0.060 18514 97 1 1 . 1 1 20 20 THR N N 27 121.441 121.441 119.477 1.964 18514 98 1 1 . 1 1 20 20 THR HA H 27 3.976 3.976 4.049 -0.073 18514 99 1 1 . 1 1 20 20 THR C C 27 175.121 175.121 176.012 -0.891 18514 100 1 1 . 1 1 20 20 THR CA C 27 68.900 68.900 66.356 2.543 18514 101 1 1 . 1 1 20 20 THR CB C 27 65.100 65.100 68.460 -3.360 18514 102 1 1 . 1 1 20 20 THR H H 27 7.370 7.370 8.134 -0.764 18514 103 1 1 . 1 1 21 21 CYS N N 28 121.174 121.174 116.647 4.527 18514 104 1 1 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.517 -0.507 18514 105 1 1 . 1 1 21 21 CYS C C 28 174.930 174.930 175.245 -0.315 18514 106 1 1 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.746 1.063 18514 107 1 1 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.115 5.642 18514 108 1 1 . 1 1 21 21 CYS H H 28 9.321 9.321 8.486 0.835 18514 109 1 1 . 1 1 22 22 ARG N N 29 115.643 115.643 119.103 -3.460 18514 110 1 1 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.065 -0.842 18514 111 1 1 . 1 1 22 22 ARG C C 29 177.619 177.619 174.799 2.820 18514 112 1 1 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.149 -3.319 18514 113 1 1 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.610 0.658 18514 114 1 1 . 1 1 22 22 ARG H H 29 7.880 7.880 8.235 -0.355 18514 115 1 1 . 1 1 23 23 ASN N N 30 113.854 113.854 115.080 -1.226 18514 116 1 1 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.594 -0.008 18514 117 1 1 . 1 1 23 23 ASN C C 30 174.972 174.972 175.406 -0.434 18514 118 1 1 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.334 0.142 18514 119 1 1 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.380 0.973 18514 120 1 1 . 1 1 23 23 ASN H H 30 6.816 6.816 7.301 -0.485 18514 121 1 1 . 1 1 24 24 SER N N 31 113.788 113.788 114.296 -0.508 18514 122 1 1 . 1 1 24 24 SER HA H 31 4.172 4.172 4.399 -0.227 18514 123 1 1 . 1 1 24 24 SER C C 31 174.820 174.820 174.713 0.107 18514 124 1 1 . 1 1 24 24 SER CA C 31 61.080 61.080 60.095 0.985 18514 125 1 1 . 1 1 24 24 SER CB C 31 63.425 63.425 62.828 0.597 18514 126 1 1 . 1 1 24 24 SER H H 31 8.873 8.873 8.664 0.209 18514 127 1 1 . 1 1 25 25 ARG N N 32 119.696 119.696 118.721 0.975 18514 128 1 1 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.381 -0.174 18514 129 1 1 . 1 1 25 25 ARG C C 32 175.482 175.482 176.118 -0.636 18514 130 1 1 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.312 1.706 18514 131 1 1 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.002 -0.270 18514 132 1 1 . 1 1 25 25 ARG H H 32 8.104 8.104 8.303 -0.199 18514 133 1 1 . 1 1 26 26 CYS N N 33 123.061 123.061 122.342 0.719 18514 134 1 1 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.059 -0.372 18514 135 1 1 . 1 1 26 26 CYS C C 33 173.064 173.064 173.551 -0.487 18514 136 1 1 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.737 -0.037 18514 137 1 1 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.606 3.348 18514 138 1 1 . 1 1 26 26 CYS H H 33 7.766 7.766 7.679 0.087 18514 139 1 1 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.275 0.017 18514 140 1 1 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.290 -1.024 18514 141 1 1 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.669 0.489 18514 142 1 1 . 1 1 28 28 CYS N N 35 129.050 129.050 116.099 12.951 18514 143 1 1 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.157 -0.527 18514 144 1 1 . 1 1 28 28 CYS C C 35 171.254 171.254 176.762 -5.508 18514 145 1 1 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.368 -0.783 18514 146 1 1 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.639 3.608 18514 147 1 1 . 1 1 28 28 CYS H H 35 8.368 8.368 8.205 0.163 18514 148 1 1 . 1 1 29 29 TYR N N 36 124.364 124.364 121.705 2.659 18514 149 1 1 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.918 0.142 18514 150 1 1 . 1 1 29 29 TYR C C 36 172.650 172.650 177.773 -5.123 18514 151 1 1 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.294 0.827 18514 152 1 1 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.217 -0.296 18514 153 1 1 . 1 1 29 29 TYR H H 36 8.197 8.197 7.661 0.536 18514 154 1 1 . 1 1 30 30 LYS N N 37 117.214 117.214 118.826 -1.612 18514 155 1 1 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.877 -0.098 18514 156 1 1 . 1 1 30 30 LYS C C 37 172.650 172.650 177.750 -5.100 18514 157 1 1 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.382 0.014 18514 158 1 1 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.270 0.362 18514 159 1 1 . 1 1 30 30 LYS H H 37 8.441 8.441 7.937 0.504 18514 160 1 1 . 1 1 31 31 SER N N 38 109.671 109.671 113.034 -3.363 18514 161 1 1 . 1 1 31 31 SER HA H 38 4.348 4.348 4.526 -0.178 18514 162 1 1 . 1 1 31 31 SER C C 38 173.566 173.566 173.382 0.184 18514 163 1 1 . 1 1 31 31 SER CA C 38 56.469 56.469 58.518 -2.049 18514 164 1 1 . 1 1 31 31 SER CB C 38 63.461 63.461 63.581 -0.120 18514 165 1 1 . 1 1 31 31 SER H H 38 7.180 7.180 7.663 -0.483 18514 166 1 1 . 1 1 32 32 TYR N N 39 116.096 116.096 116.085 0.011 18514 167 1 1 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.484 -0.397 18514 168 1 1 . 1 1 32 32 TYR C C 39 176.728 176.728 174.812 1.916 18514 169 1 1 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.214 -0.598 18514 170 1 1 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.197 -0.647 18514 171 1 1 . 1 1 32 32 TYR H H 39 7.410 7.410 7.121 0.289 18514 172 1 1 . 1 1 33 33 ASN N N 40 116.549 116.549 117.287 -0.738 18514 173 1 1 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.115 -0.112 18514 174 1 1 . 1 1 33 33 ASN C C 40 176.083 176.083 173.918 2.165 18514 175 1 1 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.165 -0.021 18514 176 1 1 . 1 1 33 33 ASN CB C 40 43.554 43.554 42.866 0.688 18514 177 1 1 . 1 1 33 33 ASN H H 40 8.257 8.257 8.132 0.125 18514 178 1 1 . 1 1 34 34 SER N N 41 115.071 115.071 115.123 -0.052 18514 179 1 1 . 1 1 34 34 SER HA H 41 4.477 4.477 4.717 -0.240 18514 180 1 1 . 1 1 34 34 SER C C 41 174.850 174.850 175.355 -0.505 18514 181 1 1 . 1 1 34 34 SER CA C 41 57.625 57.625 57.884 -0.259 18514 182 1 1 . 1 1 34 34 SER CB C 41 65.000 65.000 64.424 0.576 18514 183 1 1 . 1 1 34 34 SER H H 41 8.720 8.720 8.426 0.294 18514 184 1 1 . 1 1 35 35 CYS N N 42 115.950 115.950 122.450 -6.500 18514 185 1 1 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.618 1.062 18514 186 1 1 . 1 1 35 35 CYS C C 42 174.850 174.850 175.055 -0.205 18514 187 1 1 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.689 1.095 18514 188 1 1 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.586 7.362 18514 189 1 1 . 1 1 35 35 CYS H H 42 8.696 8.696 8.967 -0.271 18514 190 1 1 . 1 1 36 36 ALA N N 43 124.417 124.417 127.309 -2.892 18514 191 1 1 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.478 -0.261 18514 192 1 1 . 1 1 36 36 ALA C C 43 173.572 173.572 177.639 -4.067 18514 193 1 1 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.770 2.559 18514 194 1 1 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.332 -0.497 18514 195 1 1 . 1 1 36 36 ALA H H 43 8.002 8.002 8.015 -0.013 18514 196 1 1 . 1 1 37 37 GLY N N 44 113.524 113.524 112.056 1.468 18514 197 1 1 . 1 1 37 37 GLY C C 44 170.263 170.263 173.997 -3.734 18514 198 1 1 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.864 0.853 18514 199 1 1 . 1 1 37 37 GLY H H 44 8.932 8.932 8.753 0.179 18514 200 1 1 . 1 1 38 38 CYS N N 45 120.184 120.184 117.968 2.216 18514 201 1 1 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.533 -0.457 18514 202 1 1 . 1 1 38 38 CYS C C 45 170.263 170.263 174.716 -4.453 18514 203 1 1 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.675 4.211 18514 204 1 1 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.482 4.140 18514 205 1 1 . 1 1 38 38 CYS H H 45 7.641 7.641 7.900 -0.259 18514 206 1 1 . 1 1 39 39 HIS N N 46 118.156 118.156 119.570 -1.414 18514 207 1 1 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.836 0.214 18514 208 1 1 . 1 1 39 39 HIS C C 46 174.223 174.223 174.412 -0.189 18514 209 1 1 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.784 -1.295 18514 210 1 1 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.724 -0.036 18514 211 1 1 . 1 1 39 39 HIS H H 46 8.234 8.234 9.190 -0.956 18514 212 1 1 . 1 1 40 40 CYS N N 47 118.354 118.354 117.066 1.288 18514 213 1 1 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.046 -0.224 18514 214 1 1 . 1 1 40 40 CYS C C 47 176.296 176.296 174.464 1.832 18514 215 1 1 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.085 -0.489 18514 216 1 1 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.694 5.544 18514 217 1 1 . 1 1 40 40 CYS H H 47 7.403 7.403 7.803 -0.400 18514 218 1 1 . 1 1 41 41 VAL N N 48 118.968 118.968 124.226 -5.258 18514 219 1 1 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.223 0.008 18514 220 1 1 . 1 1 41 41 VAL C C 48 174.265 174.265 176.015 -1.750 18514 221 1 1 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.492 -0.261 18514 222 1 1 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.081 1.617 18514 223 1 1 . 1 1 41 41 VAL H H 48 8.205 8.205 8.833 -0.628 18514 224 1 1 . 1 1 42 42 GLY N N 49 115.726 115.726 115.114 0.612 18514 225 1 1 . 1 1 42 42 GLY C C 49 174.223 174.223 174.029 0.194 18514 226 1 1 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.026 1.087 18514 227 1 1 . 1 1 42 42 GLY H H 49 8.634 8.634 8.528 0.106 18514 228 1 1 . 1 1 43 43 CYS N N 50 119.917 119.917 120.019 -0.102 18514 229 1 1 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.414 -1.257 18514 230 1 1 . 1 1 43 43 CYS C C 50 173.428 173.428 174.739 -1.311 18514 231 1 1 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.783 4.563 18514 232 1 1 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.363 6.763 18514 233 1 1 . 1 1 43 43 CYS H H 50 7.670 7.670 8.369 -0.699 18514 234 1 1 . 1 1 44 44 LYS N N 51 128.057 128.057 130.267 -2.210 18514 235 1 1 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.435 0.163 18514 236 1 1 . 1 1 44 44 LYS C C 51 171.776 171.776 174.474 -2.698 18514 237 1 1 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.849 -0.812 18514 238 1 1 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.638 -0.913 18514 239 1 1 . 1 1 44 44 LYS H H 51 7.934 7.934 8.215 -0.281 18514 240 1 1 . 1 1 45 45 ASN N N 52 125.259 125.259 122.276 2.983 18514 241 1 1 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.028 -0.261 18514 242 1 1 . 1 1 45 45 ASN C C 52 171.776 171.776 174.194 -2.418 18514 243 1 1 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.539 2.711 18514 244 1 1 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.984 -0.464 18514 245 1 1 . 1 1 45 45 ASN H H 52 9.076 9.076 8.276 0.800 18514 246 1 1 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.384 0.079 18514 247 1 1 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.748 -0.617 18514 248 1 1 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.328 0.003 18514 249 1 1 . 1 1 47 47 HIS N N 54 121.186 121.186 120.759 0.427 18514 250 1 1 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.643 -0.129 18514 251 1 1 . 1 1 47 47 HIS C C 54 172.204 172.204 173.799 -1.595 18514 252 1 1 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.417 0.887 18514 253 1 1 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.294 -0.386 18514 254 1 1 . 1 1 47 47 HIS H H 54 8.236 8.236 8.750 -0.514 18514 255 1 1 . 1 1 48 48 LYS N N 55 123.556 123.556 123.808 -0.252 18514 256 1 1 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.461 -0.000 18514 257 1 1 . 1 1 48 48 LYS C C 55 175.066 175.066 176.411 -1.345 18514 258 1 1 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.462 0.858 18514 259 1 1 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.624 0.482 18514 260 1 1 . 1 1 48 48 LYS H H 55 8.470 8.470 7.694 0.776 18514 261 1 1 . 1 1 49 49 GLU N N 56 121.100 121.100 124.454 -3.354 18514 262 1 1 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.273 0.078 18514 263 1 1 . 1 1 49 49 GLU C C 56 173.210 173.210 175.941 -2.731 18514 264 1 1 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.320 0.043 18514 265 1 1 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.674 0.949 18514 266 1 1 . 1 1 49 49 GLU H H 56 8.523 8.523 8.450 0.073 18514 267 1 1 . 1 1 50 50 ASP N N 57 121.579 121.579 125.781 -4.202 18514 268 1 1 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.634 0.035 18514 269 1 1 . 1 1 50 50 ASP C C 57 173.845 173.845 175.415 -1.570 18514 270 1 1 . 1 1 50 50 ASP CA C 57 54.291 54.291 55.088 -0.797 18514 271 1 1 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.330 1.122 18514 272 1 1 . 1 1 50 50 ASP H H 57 8.396 8.396 8.678 -0.282 18514 273 1 1 . 1 1 51 51 TYR N N 58 120.844 120.844 126.994 -6.150 18514 274 1 1 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.659 -0.142 18514 275 1 1 . 1 1 51 51 TYR C C 58 173.968 173.968 174.330 -0.362 18514 276 1 1 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.353 0.443 18514 277 1 1 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.890 0.068 18514 278 1 1 . 1 1 51 51 TYR H H 58 8.176 8.176 8.140 0.036 18514 279 1 2 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.699 0.084 18514 280 1 2 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.497 -0.690 18514 281 1 2 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.258 -0.467 18514 282 1 2 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.486 -0.083 18514 283 1 2 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.853 -0.119 18514 284 1 2 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.439 -0.551 18514 285 1 2 . 1 1 4 4 LYS N N 11 124.307 124.307 122.631 1.676 18514 286 1 2 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.529 -0.014 18514 287 1 2 . 1 1 4 4 LYS C C 11 173.272 173.272 175.204 -1.932 18514 288 1 2 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.960 0.321 18514 289 1 2 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.883 0.037 18514 290 1 2 . 1 1 4 4 LYS H H 11 8.380 8.380 8.177 0.203 18514 291 1 2 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.317 0.119 18514 292 1 2 . 1 1 5 5 PRO C C 12 127.380 127.380 175.964 -48.584 18514 293 1 2 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.955 -0.162 18514 294 1 2 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.246 -0.164 18514 295 1 2 . 1 1 6 6 LYS N N 13 118.851 118.851 119.810 -0.959 18514 296 1 2 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.594 0.553 18514 297 1 2 . 1 1 6 6 LYS C C 13 173.408 173.408 175.730 -2.322 18514 298 1 2 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.659 -0.202 18514 299 1 2 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.587 -0.746 18514 300 1 2 . 1 1 6 6 LYS H H 13 8.064 8.064 8.294 -0.230 18514 301 1 2 . 1 1 7 7 CYS N N 14 127.385 127.385 117.508 9.877 18514 302 1 2 . 1 1 7 7 CYS HA H 14 5.228 5.228 5.075 0.153 18514 303 1 2 . 1 1 7 7 CYS C C 14 173.408 173.408 173.988 -0.580 18514 304 1 2 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.292 0.300 18514 305 1 2 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.815 3.046 18514 306 1 2 . 1 1 7 7 CYS H H 14 9.943 9.943 8.491 1.452 18514 307 1 2 . 1 1 8 8 ARG N N 15 117.940 117.940 118.869 -0.929 18514 308 1 2 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.771 -0.425 18514 309 1 2 . 1 1 8 8 ARG C C 15 175.808 175.808 176.008 -0.200 18514 310 1 2 . 1 1 8 8 ARG CA C 15 54.371 54.371 54.895 -0.524 18514 311 1 2 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.896 -0.165 18514 312 1 2 . 1 1 8 8 ARG H H 15 8.835 8.835 8.779 0.056 18514 313 1 2 . 1 1 9 9 CYS N N 16 122.323 122.323 117.991 4.332 18514 314 1 2 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.399 -0.375 18514 315 1 2 . 1 1 9 9 CYS C C 16 174.360 174.360 176.444 -2.084 18514 316 1 2 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.063 -0.824 18514 317 1 2 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.514 5.938 18514 318 1 2 . 1 1 9 9 CYS H H 16 7.433 7.433 8.261 -0.828 18514 319 1 2 . 1 1 10 10 GLY N N 17 108.065 108.065 115.022 -6.957 18514 320 1 2 . 1 1 10 10 GLY C C 17 174.518 174.518 175.034 -0.516 18514 321 1 2 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.102 -0.542 18514 322 1 2 . 1 1 10 10 GLY H H 17 8.788 8.788 8.986 -0.198 18514 323 1 2 . 1 1 11 11 ILE N N 18 118.990 118.990 121.044 -2.054 18514 324 1 2 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.167 -0.190 18514 325 1 2 . 1 1 11 11 ILE C C 18 173.820 173.820 175.723 -1.903 18514 326 1 2 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.543 1.047 18514 327 1 2 . 1 1 11 11 ILE CB C 18 38.724 38.724 39.045 -0.321 18514 328 1 2 . 1 1 11 11 ILE H H 18 7.557 7.557 7.830 -0.273 18514 329 1 2 . 1 1 12 12 SER N N 19 116.128 116.128 114.748 1.380 18514 330 1 2 . 1 1 12 12 SER HA H 19 4.510 4.510 4.683 -0.173 18514 331 1 2 . 1 1 12 12 SER C C 19 172.948 172.948 173.631 -0.683 18514 332 1 2 . 1 1 12 12 SER CA C 19 58.200 58.200 58.176 0.024 18514 333 1 2 . 1 1 12 12 SER CB C 19 63.800 63.800 65.761 -1.962 18514 334 1 2 . 1 1 12 12 SER H H 19 8.418 8.418 8.155 0.263 18514 335 1 2 . 1 1 13 13 GLY N N 20 110.984 110.984 113.662 -2.678 18514 336 1 2 . 1 1 13 13 GLY C C 20 172.948 172.948 172.634 0.314 18514 337 1 2 . 1 1 13 13 GLY CA C 20 45.398 45.398 46.117 -0.719 18514 338 1 2 . 1 1 13 13 GLY H H 20 8.243 8.243 8.318 -0.075 18514 339 1 2 . 1 1 14 14 SER N N 21 114.951 114.951 113.442 1.509 18514 340 1 2 . 1 1 14 14 SER HA H 21 4.535 4.535 4.599 -0.064 18514 341 1 2 . 1 1 14 14 SER C C 21 175.376 175.376 173.171 2.205 18514 342 1 2 . 1 1 14 14 SER CA C 21 57.930 57.930 57.024 0.906 18514 343 1 2 . 1 1 14 14 SER CB C 21 64.080 64.080 65.537 -1.457 18514 344 1 2 . 1 1 14 14 SER H H 21 8.250 8.250 7.709 0.541 18514 345 1 2 . 1 1 15 15 SER N N 22 118.334 118.334 117.045 1.289 18514 346 1 2 . 1 1 15 15 SER HA H 22 4.449 4.449 4.591 -0.142 18514 347 1 2 . 1 1 15 15 SER C C 22 174.863 174.863 173.624 1.239 18514 348 1 2 . 1 1 15 15 SER CA C 22 57.767 57.767 57.965 -0.198 18514 349 1 2 . 1 1 15 15 SER CB C 22 63.598 63.598 62.732 0.866 18514 350 1 2 . 1 1 15 15 SER H H 22 8.427 8.427 8.543 -0.116 18514 351 1 2 . 1 1 16 16 ASN N N 23 120.784 120.784 124.545 -3.761 18514 352 1 2 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.925 -0.115 18514 353 1 2 . 1 1 16 16 ASN C C 23 175.364 175.364 174.540 0.824 18514 354 1 2 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.855 0.319 18514 355 1 2 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.894 -2.427 18514 356 1 2 . 1 1 16 16 ASN H H 23 8.453 8.453 7.729 0.724 18514 357 1 2 . 1 1 17 17 THR N N 24 115.660 115.660 114.592 1.068 18514 358 1 2 . 1 1 17 17 THR HA H 24 4.346 4.346 4.429 -0.083 18514 359 1 2 . 1 1 17 17 THR C C 24 173.428 173.428 175.162 -1.734 18514 360 1 2 . 1 1 17 17 THR CA C 24 62.126 62.126 63.115 -0.990 18514 361 1 2 . 1 1 17 17 THR CB C 24 68.777 68.777 69.409 -0.632 18514 362 1 2 . 1 1 17 17 THR H H 24 8.417 8.417 8.519 -0.102 18514 363 1 2 . 1 1 18 18 LEU N N 25 121.190 121.190 115.902 5.288 18514 364 1 2 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.974 -0.680 18514 365 1 2 . 1 1 18 18 LEU C C 25 173.951 173.951 176.852 -2.901 18514 366 1 2 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.843 0.406 18514 367 1 2 . 1 1 18 18 LEU CB C 25 42.307 42.307 43.171 -0.864 18514 368 1 2 . 1 1 18 18 LEU H H 25 8.218 8.218 8.441 -0.223 18514 369 1 2 . 1 1 19 19 THR N N 26 106.988 106.988 114.628 -7.640 18514 370 1 2 . 1 1 19 19 THR HA H 26 4.230 4.230 4.299 -0.069 18514 371 1 2 . 1 1 19 19 THR C C 26 171.429 171.429 174.865 -3.436 18514 372 1 2 . 1 1 19 19 THR CA C 26 60.631 60.631 63.569 -2.938 18514 373 1 2 . 1 1 19 19 THR CB C 26 68.296 68.296 68.416 -0.120 18514 374 1 2 . 1 1 19 19 THR H H 26 7.791 7.791 8.405 -0.614 18514 375 1 2 . 1 1 20 20 THR N N 27 121.441 121.441 117.717 3.724 18514 376 1 2 . 1 1 20 20 THR HA H 27 3.976 3.976 4.019 -0.043 18514 377 1 2 . 1 1 20 20 THR C C 27 175.121 175.121 176.161 -1.040 18514 378 1 2 . 1 1 20 20 THR CA C 27 68.900 68.900 65.543 3.357 18514 379 1 2 . 1 1 20 20 THR CB C 27 65.100 65.100 68.853 -3.753 18514 380 1 2 . 1 1 20 20 THR H H 27 7.370 7.370 7.966 -0.596 18514 381 1 2 . 1 1 21 21 CYS N N 28 121.174 121.174 116.020 5.154 18514 382 1 2 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.522 -0.512 18514 383 1 2 . 1 1 21 21 CYS C C 28 174.930 174.930 175.501 -0.571 18514 384 1 2 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.939 0.870 18514 385 1 2 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.012 5.745 18514 386 1 2 . 1 1 21 21 CYS H H 28 9.321 9.321 8.404 0.917 18514 387 1 2 . 1 1 22 22 ARG N N 29 115.643 115.643 118.980 -3.337 18514 388 1 2 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.190 -0.967 18514 389 1 2 . 1 1 22 22 ARG C C 29 177.619 177.619 174.515 3.104 18514 390 1 2 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.183 -3.353 18514 391 1 2 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.095 1.173 18514 392 1 2 . 1 1 22 22 ARG H H 29 7.880 7.880 8.350 -0.470 18514 393 1 2 . 1 1 23 23 ASN N N 30 113.854 113.854 115.421 -1.567 18514 394 1 2 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.468 0.118 18514 395 1 2 . 1 1 23 23 ASN C C 30 174.972 174.972 175.167 -0.195 18514 396 1 2 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.466 0.010 18514 397 1 2 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.497 0.856 18514 398 1 2 . 1 1 23 23 ASN H H 30 6.816 6.816 7.236 -0.420 18514 399 1 2 . 1 1 24 24 SER N N 31 113.788 113.788 114.045 -0.257 18514 400 1 2 . 1 1 24 24 SER HA H 31 4.172 4.172 4.469 -0.297 18514 401 1 2 . 1 1 24 24 SER C C 31 174.820 174.820 175.057 -0.237 18514 402 1 2 . 1 1 24 24 SER CA C 31 61.080 61.080 60.475 0.605 18514 403 1 2 . 1 1 24 24 SER CB C 31 63.425 63.425 62.889 0.536 18514 404 1 2 . 1 1 24 24 SER H H 31 8.873 8.873 8.667 0.206 18514 405 1 2 . 1 1 25 25 ARG N N 32 119.696 119.696 120.141 -0.445 18514 406 1 2 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.310 -0.103 18514 407 1 2 . 1 1 25 25 ARG C C 32 175.482 175.482 176.148 -0.666 18514 408 1 2 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.587 0.430 18514 409 1 2 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.508 -0.776 18514 410 1 2 . 1 1 25 25 ARG H H 32 8.104 8.104 8.049 0.055 18514 411 1 2 . 1 1 26 26 CYS N N 33 123.061 123.061 122.737 0.324 18514 412 1 2 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.945 -0.258 18514 413 1 2 . 1 1 26 26 CYS C C 33 173.064 173.064 173.882 -0.818 18514 414 1 2 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.914 -0.214 18514 415 1 2 . 1 1 26 26 CYS CB C 33 31.954 31.954 27.945 4.009 18514 416 1 2 . 1 1 26 26 CYS H H 33 7.766 7.766 7.647 0.119 18514 417 1 2 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.259 0.033 18514 418 1 2 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.228 -0.962 18514 419 1 2 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.561 0.597 18514 420 1 2 . 1 1 28 28 CYS N N 35 129.050 129.050 116.022 13.028 18514 421 1 2 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.188 -0.558 18514 422 1 2 . 1 1 28 28 CYS C C 35 171.254 171.254 176.822 -5.568 18514 423 1 2 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.532 -0.947 18514 424 1 2 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.952 3.295 18514 425 1 2 . 1 1 28 28 CYS H H 35 8.368 8.368 7.981 0.387 18514 426 1 2 . 1 1 29 29 TYR N N 36 124.364 124.364 121.779 2.585 18514 427 1 2 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.965 0.095 18514 428 1 2 . 1 1 29 29 TYR C C 36 172.650 172.650 178.047 -5.397 18514 429 1 2 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.406 0.715 18514 430 1 2 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.298 -0.377 18514 431 1 2 . 1 1 29 29 TYR H H 36 8.197 8.197 7.754 0.443 18514 432 1 2 . 1 1 30 30 LYS N N 37 117.214 117.214 118.240 -1.026 18514 433 1 2 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.961 -0.182 18514 434 1 2 . 1 1 30 30 LYS C C 37 172.650 172.650 177.029 -4.379 18514 435 1 2 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.610 -0.214 18514 436 1 2 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.472 0.160 18514 437 1 2 . 1 1 30 30 LYS H H 37 8.441 8.441 8.467 -0.026 18514 438 1 2 . 1 1 31 31 SER N N 38 109.671 109.671 113.308 -3.637 18514 439 1 2 . 1 1 31 31 SER HA H 38 4.348 4.348 4.551 -0.203 18514 440 1 2 . 1 1 31 31 SER C C 38 173.566 173.566 173.365 0.201 18514 441 1 2 . 1 1 31 31 SER CA C 38 56.469 56.469 58.008 -1.539 18514 442 1 2 . 1 1 31 31 SER CB C 38 63.461 63.461 63.923 -0.462 18514 443 1 2 . 1 1 31 31 SER H H 38 7.180 7.180 7.454 -0.274 18514 444 1 2 . 1 1 32 32 TYR N N 39 116.096 116.096 114.677 1.419 18514 445 1 2 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.454 -0.367 18514 446 1 2 . 1 1 32 32 TYR C C 39 176.728 176.728 173.872 2.856 18514 447 1 2 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.230 -0.614 18514 448 1 2 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.890 -0.340 18514 449 1 2 . 1 1 32 32 TYR H H 39 7.410 7.410 7.370 0.040 18514 450 1 2 . 1 1 33 33 ASN N N 40 116.549 116.549 116.036 0.513 18514 451 1 2 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.978 0.025 18514 452 1 2 . 1 1 33 33 ASN C C 40 176.083 176.083 174.499 1.584 18514 453 1 2 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.383 -0.239 18514 454 1 2 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.968 1.586 18514 455 1 2 . 1 1 33 33 ASN H H 40 8.257 8.257 7.875 0.382 18514 456 1 2 . 1 1 34 34 SER N N 41 115.071 115.071 114.278 0.793 18514 457 1 2 . 1 1 34 34 SER HA H 41 4.477 4.477 4.854 -0.377 18514 458 1 2 . 1 1 34 34 SER C C 41 174.850 174.850 175.063 -0.213 18514 459 1 2 . 1 1 34 34 SER CA C 41 57.625 57.625 57.738 -0.113 18514 460 1 2 . 1 1 34 34 SER CB C 41 65.000 65.000 65.008 -0.008 18514 461 1 2 . 1 1 34 34 SER H H 41 8.720 8.720 8.265 0.455 18514 462 1 2 . 1 1 35 35 CYS N N 42 115.950 115.950 122.096 -6.146 18514 463 1 2 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.658 1.022 18514 464 1 2 . 1 1 35 35 CYS C C 42 174.850 174.850 174.993 -0.143 18514 465 1 2 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.060 1.724 18514 466 1 2 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.708 7.240 18514 467 1 2 . 1 1 35 35 CYS H H 42 8.696 8.696 8.970 -0.274 18514 468 1 2 . 1 1 36 36 ALA N N 43 124.417 124.417 126.960 -2.543 18514 469 1 2 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.493 -0.276 18514 470 1 2 . 1 1 36 36 ALA C C 43 173.572 173.572 177.511 -3.939 18514 471 1 2 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.708 2.621 18514 472 1 2 . 1 1 36 36 ALA CB C 43 17.835 17.835 19.216 -1.381 18514 473 1 2 . 1 1 36 36 ALA H H 43 8.002 8.002 7.799 0.203 18514 474 1 2 . 1 1 37 37 GLY N N 44 113.524 113.524 111.378 2.146 18514 475 1 2 . 1 1 37 37 GLY C C 44 170.263 170.263 173.849 -3.586 18514 476 1 2 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.000 0.717 18514 477 1 2 . 1 1 37 37 GLY H H 44 8.932 8.932 8.707 0.225 18514 478 1 2 . 1 1 38 38 CYS N N 45 120.184 120.184 117.528 2.656 18514 479 1 2 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.483 -0.407 18514 480 1 2 . 1 1 38 38 CYS C C 45 170.263 170.263 174.844 -4.581 18514 481 1 2 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.533 4.353 18514 482 1 2 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.506 4.116 18514 483 1 2 . 1 1 38 38 CYS H H 45 7.641 7.641 7.735 -0.094 18514 484 1 2 . 1 1 39 39 HIS N N 46 118.156 118.156 119.028 -0.872 18514 485 1 2 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.768 0.282 18514 486 1 2 . 1 1 39 39 HIS C C 46 174.223 174.223 175.373 -1.150 18514 487 1 2 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.709 -1.220 18514 488 1 2 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.537 0.151 18514 489 1 2 . 1 1 39 39 HIS H H 46 8.234 8.234 8.690 -0.456 18514 490 1 2 . 1 1 40 40 CYS N N 47 118.354 118.354 117.771 0.583 18514 491 1 2 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.859 -0.037 18514 492 1 2 . 1 1 40 40 CYS C C 47 176.296 176.296 175.044 1.252 18514 493 1 2 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.159 -1.563 18514 494 1 2 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.696 5.542 18514 495 1 2 . 1 1 40 40 CYS H H 47 7.403 7.403 7.914 -0.511 18514 496 1 2 . 1 1 41 41 VAL N N 48 118.968 118.968 123.613 -4.645 18514 497 1 2 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.255 -0.024 18514 498 1 2 . 1 1 41 41 VAL C C 48 174.265 174.265 176.386 -2.121 18514 499 1 2 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.561 -0.330 18514 500 1 2 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.820 1.878 18514 501 1 2 . 1 1 41 41 VAL H H 48 8.205 8.205 8.924 -0.719 18514 502 1 2 . 1 1 42 42 GLY N N 49 115.726 115.726 114.627 1.099 18514 503 1 2 . 1 1 42 42 GLY C C 49 174.223 174.223 174.023 0.200 18514 504 1 2 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.305 0.808 18514 505 1 2 . 1 1 42 42 GLY H H 49 8.634 8.634 8.585 0.049 18514 506 1 2 . 1 1 43 43 CYS N N 50 119.917 119.917 119.861 0.056 18514 507 1 2 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.440 -1.283 18514 508 1 2 . 1 1 43 43 CYS C C 50 173.428 173.428 174.675 -1.247 18514 509 1 2 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.956 5.390 18514 510 1 2 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.274 6.852 18514 511 1 2 . 1 1 43 43 CYS H H 50 7.670 7.670 8.326 -0.656 18514 512 1 2 . 1 1 44 44 LYS N N 51 128.057 128.057 130.140 -2.083 18514 513 1 2 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.409 0.189 18514 514 1 2 . 1 1 44 44 LYS C C 51 171.776 171.776 174.779 -3.003 18514 515 1 2 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.738 -0.702 18514 516 1 2 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.542 -0.817 18514 517 1 2 . 1 1 44 44 LYS H H 51 7.934 7.934 8.191 -0.257 18514 518 1 2 . 1 1 45 45 ASN N N 52 125.259 125.259 123.297 1.962 18514 519 1 2 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.145 -0.378 18514 520 1 2 . 1 1 45 45 ASN C C 52 171.776 171.776 173.962 -2.186 18514 521 1 2 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.990 2.260 18514 522 1 2 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.814 -0.294 18514 523 1 2 . 1 1 45 45 ASN H H 52 9.076 9.076 8.310 0.766 18514 524 1 2 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.300 0.163 18514 525 1 2 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.172 -1.041 18514 526 1 2 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.133 0.198 18514 527 1 2 . 1 1 47 47 HIS N N 54 121.186 121.186 118.841 2.345 18514 528 1 2 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.620 -0.106 18514 529 1 2 . 1 1 47 47 HIS C C 54 172.204 172.204 174.573 -2.369 18514 530 1 2 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.371 0.933 18514 531 1 2 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.930 -1.022 18514 532 1 2 . 1 1 47 47 HIS H H 54 8.236 8.236 8.764 -0.528 18514 533 1 2 . 1 1 48 48 LYS N N 55 123.556 123.556 126.177 -2.621 18514 534 1 2 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.492 -0.031 18514 535 1 2 . 1 1 48 48 LYS C C 55 175.066 175.066 175.765 -0.699 18514 536 1 2 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.904 0.416 18514 537 1 2 . 1 1 48 48 LYS CB C 55 34.106 34.106 31.953 2.152 18514 538 1 2 . 1 1 48 48 LYS H H 55 8.470 8.470 8.114 0.356 18514 539 1 2 . 1 1 49 49 GLU N N 56 121.100 121.100 127.152 -6.052 18514 540 1 2 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.384 -0.033 18514 541 1 2 . 1 1 49 49 GLU C C 56 173.210 173.210 174.924 -1.714 18514 542 1 2 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.065 0.298 18514 543 1 2 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.537 1.086 18514 544 1 2 . 1 1 49 49 GLU H H 56 8.523 8.523 8.464 0.059 18514 545 1 2 . 1 1 50 50 ASP N N 57 121.579 121.579 123.647 -2.068 18514 546 1 2 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.594 0.075 18514 547 1 2 . 1 1 50 50 ASP C C 57 173.845 173.845 174.870 -1.025 18514 548 1 2 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.029 0.262 18514 549 1 2 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.801 -1.349 18514 550 1 2 . 1 1 50 50 ASP H H 57 8.396 8.396 7.905 0.491 18514 551 1 2 . 1 1 51 51 TYR N N 58 120.844 120.844 122.826 -1.982 18514 552 1 2 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.627 -0.110 18514 553 1 2 . 1 1 51 51 TYR C C 58 173.968 173.968 174.459 -0.491 18514 554 1 2 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.404 0.392 18514 555 1 2 . 1 1 51 51 TYR CB C 58 38.958 38.958 36.748 2.211 18514 556 1 2 . 1 1 51 51 TYR H H 58 8.176 8.176 8.132 0.044 18514 557 1 3 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.702 0.081 18514 558 1 3 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.106 -0.299 18514 559 1 3 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.484 -0.693 18514 560 1 3 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.408 -0.005 18514 561 1 3 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.698 0.036 18514 562 1 3 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.307 -0.419 18514 563 1 3 . 1 1 4 4 LYS N N 11 124.307 124.307 122.004 2.303 18514 564 1 3 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.395 0.120 18514 565 1 3 . 1 1 4 4 LYS C C 11 173.272 173.272 175.154 -1.882 18514 566 1 3 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.318 -0.037 18514 567 1 3 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.783 0.137 18514 568 1 3 . 1 1 4 4 LYS H H 11 8.380 8.380 8.411 -0.031 18514 569 1 3 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.390 0.046 18514 570 1 3 . 1 1 5 5 PRO C C 12 127.380 127.380 175.799 -48.419 18514 571 1 3 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.738 0.055 18514 572 1 3 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.368 -0.286 18514 573 1 3 . 1 1 6 6 LYS N N 13 118.851 118.851 121.022 -2.171 18514 574 1 3 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.645 0.502 18514 575 1 3 . 1 1 6 6 LYS C C 13 173.408 173.408 175.748 -2.340 18514 576 1 3 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.470 -0.013 18514 577 1 3 . 1 1 6 6 LYS CB C 13 34.841 34.841 33.762 1.079 18514 578 1 3 . 1 1 6 6 LYS H H 13 8.064 8.064 8.282 -0.218 18514 579 1 3 . 1 1 7 7 CYS N N 14 127.385 127.385 119.488 7.897 18514 580 1 3 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.896 0.332 18514 581 1 3 . 1 1 7 7 CYS C C 14 173.408 173.408 174.055 -0.647 18514 582 1 3 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.434 0.158 18514 583 1 3 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.514 3.347 18514 584 1 3 . 1 1 7 7 CYS H H 14 9.943 9.943 8.551 1.392 18514 585 1 3 . 1 1 8 8 ARG N N 15 117.940 117.940 119.824 -1.884 18514 586 1 3 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.687 -0.341 18514 587 1 3 . 1 1 8 8 ARG C C 15 175.808 175.808 175.862 -0.054 18514 588 1 3 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.280 -0.909 18514 589 1 3 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.472 0.259 18514 590 1 3 . 1 1 8 8 ARG H H 15 8.835 8.835 8.613 0.222 18514 591 1 3 . 1 1 9 9 CYS N N 16 122.323 122.323 118.019 4.304 18514 592 1 3 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.890 -0.866 18514 593 1 3 . 1 1 9 9 CYS C C 16 174.360 174.360 176.382 -2.022 18514 594 1 3 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.505 -0.266 18514 595 1 3 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.709 6.742 18514 596 1 3 . 1 1 9 9 CYS H H 16 7.433 7.433 8.359 -0.926 18514 597 1 3 . 1 1 10 10 GLY N N 17 108.065 108.065 115.398 -7.333 18514 598 1 3 . 1 1 10 10 GLY C C 17 174.518 174.518 175.055 -0.537 18514 599 1 3 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.954 -0.394 18514 600 1 3 . 1 1 10 10 GLY H H 17 8.788 8.788 9.041 -0.253 18514 601 1 3 . 1 1 11 11 ILE N N 18 118.990 118.990 122.175 -3.185 18514 602 1 3 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.111 -0.134 18514 603 1 3 . 1 1 11 11 ILE C C 18 173.820 173.820 177.051 -3.231 18514 604 1 3 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.689 -0.099 18514 605 1 3 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.733 -0.009 18514 606 1 3 . 1 1 11 11 ILE H H 18 7.557 7.557 7.753 -0.196 18514 607 1 3 . 1 1 12 12 SER N N 19 116.128 116.128 112.970 3.158 18514 608 1 3 . 1 1 12 12 SER HA H 19 4.510 4.510 4.592 -0.082 18514 609 1 3 . 1 1 12 12 SER C C 19 172.948 172.948 175.662 -2.714 18514 610 1 3 . 1 1 12 12 SER CA C 19 58.200 58.200 58.884 -0.684 18514 611 1 3 . 1 1 12 12 SER CB C 19 63.800 63.800 65.560 -1.760 18514 612 1 3 . 1 1 12 12 SER H H 19 8.418 8.418 7.710 0.708 18514 613 1 3 . 1 1 13 13 GLY N N 20 110.984 110.984 110.378 0.606 18514 614 1 3 . 1 1 13 13 GLY C C 20 172.948 172.948 173.027 -0.079 18514 615 1 3 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.975 0.423 18514 616 1 3 . 1 1 13 13 GLY H H 20 8.243 8.243 7.641 0.602 18514 617 1 3 . 1 1 14 14 SER N N 21 114.951 114.951 115.787 -0.836 18514 618 1 3 . 1 1 14 14 SER HA H 21 4.535 4.535 4.145 0.390 18514 619 1 3 . 1 1 14 14 SER C C 21 175.376 175.376 174.801 0.575 18514 620 1 3 . 1 1 14 14 SER CA C 21 57.930 57.930 58.801 -0.871 18514 621 1 3 . 1 1 14 14 SER CB C 21 64.080 64.080 63.463 0.617 18514 622 1 3 . 1 1 14 14 SER H H 21 8.250 8.250 8.533 -0.283 18514 623 1 3 . 1 1 15 15 SER N N 22 118.334 118.334 118.998 -0.664 18514 624 1 3 . 1 1 15 15 SER HA H 22 4.449 4.449 4.226 0.223 18514 625 1 3 . 1 1 15 15 SER C C 22 174.863 174.863 175.238 -0.375 18514 626 1 3 . 1 1 15 15 SER CA C 22 57.767 57.767 60.303 -2.535 18514 627 1 3 . 1 1 15 15 SER CB C 22 63.598 63.598 63.727 -0.129 18514 628 1 3 . 1 1 15 15 SER H H 22 8.427 8.427 8.760 -0.333 18514 629 1 3 . 1 1 16 16 ASN N N 23 120.784 120.784 121.064 -0.280 18514 630 1 3 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.712 0.098 18514 631 1 3 . 1 1 16 16 ASN C C 23 175.364 175.364 175.152 0.212 18514 632 1 3 . 1 1 16 16 ASN CA C 23 53.174 53.174 54.107 -0.933 18514 633 1 3 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.392 0.075 18514 634 1 3 . 1 1 16 16 ASN H H 23 8.453 8.453 8.167 0.286 18514 635 1 3 . 1 1 17 17 THR N N 24 115.660 115.660 118.632 -2.972 18514 636 1 3 . 1 1 17 17 THR HA H 24 4.346 4.346 4.262 0.084 18514 637 1 3 . 1 1 17 17 THR C C 24 173.428 173.428 174.955 -1.527 18514 638 1 3 . 1 1 17 17 THR CA C 24 62.126 62.126 64.482 -2.356 18514 639 1 3 . 1 1 17 17 THR CB C 24 68.777 68.777 69.168 -0.392 18514 640 1 3 . 1 1 17 17 THR H H 24 8.417 8.417 8.583 -0.166 18514 641 1 3 . 1 1 18 18 LEU N N 25 121.190 121.190 118.796 2.394 18514 642 1 3 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.542 -0.248 18514 643 1 3 . 1 1 18 18 LEU C C 25 173.951 173.951 176.749 -2.798 18514 644 1 3 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.889 0.360 18514 645 1 3 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.525 -0.218 18514 646 1 3 . 1 1 18 18 LEU H H 25 8.218 8.218 7.728 0.490 18514 647 1 3 . 1 1 19 19 THR N N 26 106.988 106.988 113.975 -6.987 18514 648 1 3 . 1 1 19 19 THR HA H 26 4.230 4.230 4.485 -0.255 18514 649 1 3 . 1 1 19 19 THR C C 26 171.429 171.429 175.982 -4.553 18514 650 1 3 . 1 1 19 19 THR CA C 26 60.631 60.631 61.911 -1.280 18514 651 1 3 . 1 1 19 19 THR CB C 26 68.296 68.296 68.694 -0.398 18514 652 1 3 . 1 1 19 19 THR H H 26 7.791 7.791 7.819 -0.028 18514 653 1 3 . 1 1 20 20 THR N N 27 121.441 121.441 117.475 3.966 18514 654 1 3 . 1 1 20 20 THR HA H 27 3.976 3.976 4.177 -0.201 18514 655 1 3 . 1 1 20 20 THR C C 27 175.121 175.121 175.438 -0.317 18514 656 1 3 . 1 1 20 20 THR CA C 27 68.900 68.900 65.530 3.370 18514 657 1 3 . 1 1 20 20 THR CB C 27 65.100 65.100 68.305 -3.205 18514 658 1 3 . 1 1 20 20 THR H H 27 7.370 7.370 8.421 -1.051 18514 659 1 3 . 1 1 21 21 CYS N N 28 121.174 121.174 117.316 3.858 18514 660 1 3 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.543 -0.533 18514 661 1 3 . 1 1 21 21 CYS C C 28 174.930 174.930 175.430 -0.500 18514 662 1 3 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.729 1.080 18514 663 1 3 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.882 5.875 18514 664 1 3 . 1 1 21 21 CYS H H 28 9.321 9.321 8.422 0.899 18514 665 1 3 . 1 1 22 22 ARG N N 29 115.643 115.643 120.723 -5.080 18514 666 1 3 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.147 -0.924 18514 667 1 3 . 1 1 22 22 ARG C C 29 177.619 177.619 174.163 3.456 18514 668 1 3 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.544 -2.714 18514 669 1 3 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.790 1.478 18514 670 1 3 . 1 1 22 22 ARG H H 29 7.880 7.880 7.597 0.283 18514 671 1 3 . 1 1 23 23 ASN N N 30 113.854 113.854 113.312 0.542 18514 672 1 3 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.548 0.038 18514 673 1 3 . 1 1 23 23 ASN C C 30 174.972 174.972 175.483 -0.511 18514 674 1 3 . 1 1 23 23 ASN CA C 30 51.476 51.476 50.845 0.631 18514 675 1 3 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.953 0.401 18514 676 1 3 . 1 1 23 23 ASN H H 30 6.816 6.816 7.105 -0.289 18514 677 1 3 . 1 1 24 24 SER N N 31 113.788 113.788 114.883 -1.095 18514 678 1 3 . 1 1 24 24 SER HA H 31 4.172 4.172 4.315 -0.143 18514 679 1 3 . 1 1 24 24 SER C C 31 174.820 174.820 175.074 -0.254 18514 680 1 3 . 1 1 24 24 SER CA C 31 61.080 61.080 61.344 -0.264 18514 681 1 3 . 1 1 24 24 SER CB C 31 63.425 63.425 62.514 0.910 18514 682 1 3 . 1 1 24 24 SER H H 31 8.873 8.873 8.785 0.088 18514 683 1 3 . 1 1 25 25 ARG N N 32 119.696 119.696 118.022 1.674 18514 684 1 3 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.487 -0.280 18514 685 1 3 . 1 1 25 25 ARG C C 32 175.482 175.482 176.403 -0.921 18514 686 1 3 . 1 1 25 25 ARG CA C 32 57.018 57.018 54.418 2.600 18514 687 1 3 . 1 1 25 25 ARG CB C 32 29.732 29.732 29.963 -0.231 18514 688 1 3 . 1 1 25 25 ARG H H 32 8.104 8.104 8.038 0.066 18514 689 1 3 . 1 1 26 26 CYS N N 33 123.061 123.061 122.373 0.688 18514 690 1 3 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.876 -0.189 18514 691 1 3 . 1 1 26 26 CYS C C 33 173.064 173.064 173.795 -0.731 18514 692 1 3 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.416 -0.716 18514 693 1 3 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.194 3.760 18514 694 1 3 . 1 1 26 26 CYS H H 33 7.766 7.766 7.773 -0.007 18514 695 1 3 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.232 0.060 18514 696 1 3 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.118 -0.852 18514 697 1 3 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.651 0.507 18514 698 1 3 . 1 1 28 28 CYS N N 35 129.050 129.050 116.187 12.863 18514 699 1 3 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.151 -0.521 18514 700 1 3 . 1 1 28 28 CYS C C 35 171.254 171.254 176.680 -5.426 18514 701 1 3 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.405 -0.820 18514 702 1 3 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.694 3.553 18514 703 1 3 . 1 1 28 28 CYS H H 35 8.368 8.368 7.960 0.408 18514 704 1 3 . 1 1 29 29 TYR N N 36 124.364 124.364 121.691 2.673 18514 705 1 3 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.101 -0.042 18514 706 1 3 . 1 1 29 29 TYR C C 36 172.650 172.650 178.052 -5.402 18514 707 1 3 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.466 0.655 18514 708 1 3 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.352 -0.431 18514 709 1 3 . 1 1 29 29 TYR H H 36 8.197 8.197 7.730 0.467 18514 710 1 3 . 1 1 30 30 LYS N N 37 117.214 117.214 118.929 -1.715 18514 711 1 3 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.717 0.062 18514 712 1 3 . 1 1 30 30 LYS C C 37 172.650 172.650 177.425 -4.775 18514 713 1 3 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.395 0.001 18514 714 1 3 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.322 0.310 18514 715 1 3 . 1 1 30 30 LYS H H 37 8.441 8.441 8.163 0.278 18514 716 1 3 . 1 1 31 31 SER N N 38 109.671 109.671 112.500 -2.829 18514 717 1 3 . 1 1 31 31 SER HA H 38 4.348 4.348 4.262 0.086 18514 718 1 3 . 1 1 31 31 SER C C 38 173.566 173.566 173.729 -0.163 18514 719 1 3 . 1 1 31 31 SER CA C 38 56.469 56.469 58.071 -1.602 18514 720 1 3 . 1 1 31 31 SER CB C 38 63.461 63.461 63.779 -0.318 18514 721 1 3 . 1 1 31 31 SER H H 38 7.180 7.180 7.375 -0.195 18514 722 1 3 . 1 1 32 32 TYR N N 39 116.096 116.096 115.521 0.575 18514 723 1 3 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.353 -0.266 18514 724 1 3 . 1 1 32 32 TYR C C 39 176.728 176.728 173.844 2.884 18514 725 1 3 . 1 1 32 32 TYR CA C 39 58.616 58.616 58.953 -0.337 18514 726 1 3 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.976 -0.426 18514 727 1 3 . 1 1 32 32 TYR H H 39 7.410 7.410 7.093 0.317 18514 728 1 3 . 1 1 33 33 ASN N N 40 116.549 116.549 116.596 -0.047 18514 729 1 3 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.958 0.045 18514 730 1 3 . 1 1 33 33 ASN C C 40 176.083 176.083 173.941 2.142 18514 731 1 3 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.042 0.102 18514 732 1 3 . 1 1 33 33 ASN CB C 40 43.554 43.554 42.088 1.466 18514 733 1 3 . 1 1 33 33 ASN H H 40 8.257 8.257 7.887 0.370 18514 734 1 3 . 1 1 34 34 SER N N 41 115.071 115.071 114.095 0.976 18514 735 1 3 . 1 1 34 34 SER HA H 41 4.477 4.477 4.951 -0.474 18514 736 1 3 . 1 1 34 34 SER C C 41 174.850 174.850 174.851 -0.001 18514 737 1 3 . 1 1 34 34 SER CA C 41 57.625 57.625 57.304 0.321 18514 738 1 3 . 1 1 34 34 SER CB C 41 65.000 65.000 65.169 -0.169 18514 739 1 3 . 1 1 34 34 SER H H 41 8.720 8.720 8.379 0.341 18514 740 1 3 . 1 1 35 35 CYS N N 42 115.950 115.950 121.690 -5.740 18514 741 1 3 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.642 1.038 18514 742 1 3 . 1 1 35 35 CYS C C 42 174.850 174.850 174.640 0.210 18514 743 1 3 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.631 1.153 18514 744 1 3 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.651 7.297 18514 745 1 3 . 1 1 35 35 CYS H H 42 8.696 8.696 8.937 -0.241 18514 746 1 3 . 1 1 36 36 ALA N N 43 124.417 124.417 126.872 -2.455 18514 747 1 3 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.468 -0.251 18514 748 1 3 . 1 1 36 36 ALA C C 43 173.572 173.572 177.610 -4.038 18514 749 1 3 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.600 2.729 18514 750 1 3 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.831 -0.996 18514 751 1 3 . 1 1 36 36 ALA H H 43 8.002 8.002 7.772 0.230 18514 752 1 3 . 1 1 37 37 GLY N N 44 113.524 113.524 111.761 1.763 18514 753 1 3 . 1 1 37 37 GLY C C 44 170.263 170.263 174.435 -4.172 18514 754 1 3 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.135 0.582 18514 755 1 3 . 1 1 37 37 GLY H H 44 8.932 8.932 8.821 0.111 18514 756 1 3 . 1 1 38 38 CYS N N 45 120.184 120.184 118.225 1.959 18514 757 1 3 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.666 -0.590 18514 758 1 3 . 1 1 38 38 CYS C C 45 170.263 170.263 174.991 -4.728 18514 759 1 3 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.654 3.232 18514 760 1 3 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.756 4.866 18514 761 1 3 . 1 1 38 38 CYS H H 45 7.641 7.641 7.855 -0.214 18514 762 1 3 . 1 1 39 39 HIS N N 46 118.156 118.156 119.400 -1.244 18514 763 1 3 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.761 0.289 18514 764 1 3 . 1 1 39 39 HIS C C 46 174.223 174.223 175.258 -1.035 18514 765 1 3 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.487 -0.999 18514 766 1 3 . 1 1 39 39 HIS CB C 46 29.688 29.688 30.657 -0.970 18514 767 1 3 . 1 1 39 39 HIS H H 46 8.234 8.234 9.061 -0.827 18514 768 1 3 . 1 1 40 40 CYS N N 47 118.354 118.354 117.185 1.169 18514 769 1 3 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.816 0.006 18514 770 1 3 . 1 1 40 40 CYS C C 47 176.296 176.296 174.334 1.962 18514 771 1 3 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.124 -1.528 18514 772 1 3 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.717 5.521 18514 773 1 3 . 1 1 40 40 CYS H H 47 7.403 7.403 7.734 -0.331 18514 774 1 3 . 1 1 41 41 VAL N N 48 118.968 118.968 123.425 -4.457 18514 775 1 3 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.226 0.005 18514 776 1 3 . 1 1 41 41 VAL C C 48 174.265 174.265 176.258 -1.993 18514 777 1 3 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.444 -0.213 18514 778 1 3 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.723 1.975 18514 779 1 3 . 1 1 41 41 VAL H H 48 8.205 8.205 8.809 -0.604 18514 780 1 3 . 1 1 42 42 GLY N N 49 115.726 115.726 115.850 -0.124 18514 781 1 3 . 1 1 42 42 GLY C C 49 174.223 174.223 174.029 0.194 18514 782 1 3 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.326 0.787 18514 783 1 3 . 1 1 42 42 GLY H H 49 8.634 8.634 8.703 -0.069 18514 784 1 3 . 1 1 43 43 CYS N N 50 119.917 119.917 117.645 2.272 18514 785 1 3 . 1 1 43 43 CYS HA H 50 3.157 3.157 5.258 -2.101 18514 786 1 3 . 1 1 43 43 CYS C C 50 173.428 173.428 175.627 -2.199 18514 787 1 3 . 1 1 43 43 CYS CA C 50 63.346 63.346 55.850 7.495 18514 788 1 3 . 1 1 43 43 CYS CB C 50 33.126 33.126 28.992 4.134 18514 789 1 3 . 1 1 43 43 CYS H H 50 7.670 7.670 8.130 -0.460 18514 790 1 3 . 1 1 44 44 LYS N N 51 128.057 128.057 127.799 0.258 18514 791 1 3 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.381 0.217 18514 792 1 3 . 1 1 44 44 LYS C C 51 171.776 171.776 175.108 -3.332 18514 793 1 3 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.786 -0.750 18514 794 1 3 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.698 0.027 18514 795 1 3 . 1 1 44 44 LYS H H 51 7.934 7.934 8.208 -0.274 18514 796 1 3 . 1 1 45 45 ASN N N 52 125.259 125.259 123.173 2.086 18514 797 1 3 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.145 -0.378 18514 798 1 3 . 1 1 45 45 ASN C C 52 171.776 171.776 174.609 -2.833 18514 799 1 3 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.970 2.280 18514 800 1 3 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.340 0.180 18514 801 1 3 . 1 1 45 45 ASN H H 52 9.076 9.076 8.220 0.857 18514 802 1 3 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.274 0.189 18514 803 1 3 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.433 -1.302 18514 804 1 3 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.216 0.115 18514 805 1 3 . 1 1 47 47 HIS N N 54 121.186 121.186 118.260 2.926 18514 806 1 3 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.719 -0.205 18514 807 1 3 . 1 1 47 47 HIS C C 54 172.204 172.204 174.003 -1.799 18514 808 1 3 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.110 0.194 18514 809 1 3 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.745 -0.838 18514 810 1 3 . 1 1 47 47 HIS H H 54 8.236 8.236 8.880 -0.644 18514 811 1 3 . 1 1 48 48 LYS N N 55 123.556 123.556 123.674 -0.118 18514 812 1 3 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.550 -0.089 18514 813 1 3 . 1 1 48 48 LYS C C 55 175.066 175.066 175.965 -0.899 18514 814 1 3 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.189 0.131 18514 815 1 3 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.490 0.616 18514 816 1 3 . 1 1 48 48 LYS H H 55 8.470 8.470 8.078 0.392 18514 817 1 3 . 1 1 49 49 GLU N N 56 121.100 121.100 121.055 0.045 18514 818 1 3 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.138 0.213 18514 819 1 3 . 1 1 49 49 GLU C C 56 173.210 173.210 176.203 -2.993 18514 820 1 3 . 1 1 49 49 GLU CA C 56 56.363 56.363 58.338 -1.975 18514 821 1 3 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.974 0.648 18514 822 1 3 . 1 1 49 49 GLU H H 56 8.523 8.523 8.109 0.414 18514 823 1 3 . 1 1 50 50 ASP N N 57 121.579 121.579 121.575 0.004 18514 824 1 3 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.304 0.365 18514 825 1 3 . 1 1 50 50 ASP C C 57 173.845 173.845 175.192 -1.347 18514 826 1 3 . 1 1 50 50 ASP CA C 57 54.291 54.291 56.152 -1.861 18514 827 1 3 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.259 1.193 18514 828 1 3 . 1 1 50 50 ASP H H 57 8.396 8.396 8.990 -0.594 18514 829 1 3 . 1 1 51 51 TYR N N 58 120.844 120.844 121.402 -0.558 18514 830 1 3 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.633 -0.116 18514 831 1 3 . 1 1 51 51 TYR C C 58 173.968 173.968 175.264 -1.296 18514 832 1 3 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.502 0.294 18514 833 1 3 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.119 0.839 18514 834 1 3 . 1 1 51 51 TYR H H 58 8.176 8.176 7.399 0.777 18514 835 1 4 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.770 0.013 18514 836 1 4 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.325 -0.518 18514 837 1 4 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.641 -0.850 18514 838 1 4 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.500 -0.097 18514 839 1 4 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.426 -0.692 18514 840 1 4 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.074 -0.186 18514 841 1 4 . 1 1 4 4 LYS N N 11 124.307 124.307 123.457 0.850 18514 842 1 4 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.657 -0.142 18514 843 1 4 . 1 1 4 4 LYS C C 11 173.272 173.272 174.037 -0.765 18514 844 1 4 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.461 0.820 18514 845 1 4 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.198 -1.278 18514 846 1 4 . 1 1 4 4 LYS H H 11 8.380 8.380 7.971 0.409 18514 847 1 4 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.400 0.036 18514 848 1 4 . 1 1 5 5 PRO C C 12 127.380 127.380 175.961 -48.581 18514 849 1 4 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.642 0.151 18514 850 1 4 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.173 -0.091 18514 851 1 4 . 1 1 6 6 LYS N N 13 118.851 118.851 120.309 -1.458 18514 852 1 4 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.511 0.636 18514 853 1 4 . 1 1 6 6 LYS C C 13 173.408 173.408 175.775 -2.367 18514 854 1 4 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.838 -0.381 18514 855 1 4 . 1 1 6 6 LYS CB C 13 34.841 34.841 33.172 1.669 18514 856 1 4 . 1 1 6 6 LYS H H 13 8.064 8.064 8.044 0.020 18514 857 1 4 . 1 1 7 7 CYS N N 14 127.385 127.385 121.406 5.979 18514 858 1 4 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.713 0.515 18514 859 1 4 . 1 1 7 7 CYS C C 14 173.408 173.408 175.280 -1.872 18514 860 1 4 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.978 -0.386 18514 861 1 4 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.768 4.093 18514 862 1 4 . 1 1 7 7 CYS H H 14 9.943 9.943 8.525 1.418 18514 863 1 4 . 1 1 8 8 ARG N N 15 117.940 117.940 121.464 -3.524 18514 864 1 4 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.718 -0.372 18514 865 1 4 . 1 1 8 8 ARG C C 15 175.808 175.808 175.371 0.437 18514 866 1 4 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.362 -0.991 18514 867 1 4 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.461 0.270 18514 868 1 4 . 1 1 8 8 ARG H H 15 8.835 8.835 8.481 0.354 18514 869 1 4 . 1 1 9 9 CYS N N 16 122.323 122.323 117.853 4.470 18514 870 1 4 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.418 -0.394 18514 871 1 4 . 1 1 9 9 CYS C C 16 174.360 174.360 175.850 -1.490 18514 872 1 4 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.807 -0.569 18514 873 1 4 . 1 1 9 9 CYS CB C 16 32.451 32.451 27.000 5.452 18514 874 1 4 . 1 1 9 9 CYS H H 16 7.433 7.433 8.403 -0.970 18514 875 1 4 . 1 1 10 10 GLY N N 17 108.065 108.065 113.346 -5.281 18514 876 1 4 . 1 1 10 10 GLY C C 17 174.518 174.518 175.852 -1.334 18514 877 1 4 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.097 -0.537 18514 878 1 4 . 1 1 10 10 GLY H H 17 8.788 8.788 8.543 0.245 18514 879 1 4 . 1 1 11 11 ILE N N 18 118.990 118.990 121.711 -2.721 18514 880 1 4 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.939 0.037 18514 881 1 4 . 1 1 11 11 ILE C C 18 173.820 173.820 176.471 -2.651 18514 882 1 4 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.731 -0.141 18514 883 1 4 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.338 0.386 18514 884 1 4 . 1 1 11 11 ILE H H 18 7.557 7.557 7.658 -0.101 18514 885 1 4 . 1 1 12 12 SER N N 19 116.128 116.128 112.158 3.970 18514 886 1 4 . 1 1 12 12 SER HA H 19 4.510 4.510 4.595 -0.085 18514 887 1 4 . 1 1 12 12 SER C C 19 172.948 172.948 174.562 -1.614 18514 888 1 4 . 1 1 12 12 SER CA C 19 58.200 58.200 57.310 0.890 18514 889 1 4 . 1 1 12 12 SER CB C 19 63.800 63.800 64.810 -1.010 18514 890 1 4 . 1 1 12 12 SER H H 19 8.418 8.418 7.591 0.827 18514 891 1 4 . 1 1 13 13 GLY N N 20 110.984 110.984 113.242 -2.258 18514 892 1 4 . 1 1 13 13 GLY C C 20 172.948 172.948 173.648 -0.700 18514 893 1 4 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.261 0.137 18514 894 1 4 . 1 1 13 13 GLY H H 20 8.243 8.243 8.690 -0.447 18514 895 1 4 . 1 1 14 14 SER N N 21 114.951 114.951 116.467 -1.516 18514 896 1 4 . 1 1 14 14 SER HA H 21 4.535 4.535 4.680 -0.145 18514 897 1 4 . 1 1 14 14 SER C C 21 175.376 175.376 172.822 2.554 18514 898 1 4 . 1 1 14 14 SER CA C 21 57.930 57.930 57.037 0.893 18514 899 1 4 . 1 1 14 14 SER CB C 21 64.080 64.080 64.101 -0.021 18514 900 1 4 . 1 1 14 14 SER H H 21 8.250 8.250 7.871 0.379 18514 901 1 4 . 1 1 15 15 SER N N 22 118.334 118.334 121.633 -3.299 18514 902 1 4 . 1 1 15 15 SER HA H 22 4.449 4.449 4.672 -0.223 18514 903 1 4 . 1 1 15 15 SER C C 22 174.863 174.863 173.826 1.037 18514 904 1 4 . 1 1 15 15 SER CA C 22 57.767 57.767 57.788 -0.021 18514 905 1 4 . 1 1 15 15 SER CB C 22 63.598 63.598 62.562 1.036 18514 906 1 4 . 1 1 15 15 SER H H 22 8.427 8.427 8.602 -0.175 18514 907 1 4 . 1 1 16 16 ASN N N 23 120.784 120.784 123.499 -2.715 18514 908 1 4 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.895 -0.085 18514 909 1 4 . 1 1 16 16 ASN C C 23 175.364 175.364 174.498 0.866 18514 910 1 4 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.280 -0.106 18514 911 1 4 . 1 1 16 16 ASN CB C 23 38.467 38.467 41.022 -2.554 18514 912 1 4 . 1 1 16 16 ASN H H 23 8.453 8.453 7.939 0.514 18514 913 1 4 . 1 1 17 17 THR N N 24 115.660 115.660 118.501 -2.841 18514 914 1 4 . 1 1 17 17 THR HA H 24 4.346 4.346 4.582 -0.236 18514 915 1 4 . 1 1 17 17 THR C C 24 173.428 173.428 174.526 -1.098 18514 916 1 4 . 1 1 17 17 THR CA C 24 62.126 62.126 63.033 -0.907 18514 917 1 4 . 1 1 17 17 THR CB C 24 68.777 68.777 69.252 -0.475 18514 918 1 4 . 1 1 17 17 THR H H 24 8.417 8.417 8.691 -0.274 18514 919 1 4 . 1 1 18 18 LEU N N 25 121.190 121.190 121.069 0.121 18514 920 1 4 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.373 -0.079 18514 921 1 4 . 1 1 18 18 LEU C C 25 173.951 173.951 177.052 -3.101 18514 922 1 4 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.705 -0.457 18514 923 1 4 . 1 1 18 18 LEU CB C 25 42.307 42.307 43.136 -0.829 18514 924 1 4 . 1 1 18 18 LEU H H 25 8.218 8.218 8.126 0.092 18514 925 1 4 . 1 1 19 19 THR N N 26 106.988 106.988 106.909 0.079 18514 926 1 4 . 1 1 19 19 THR HA H 26 4.230 4.230 4.513 -0.283 18514 927 1 4 . 1 1 19 19 THR C C 26 171.429 171.429 175.477 -4.048 18514 928 1 4 . 1 1 19 19 THR CA C 26 60.631 60.631 60.970 -0.339 18514 929 1 4 . 1 1 19 19 THR CB C 26 68.296 68.296 70.399 -2.103 18514 930 1 4 . 1 1 19 19 THR H H 26 7.791 7.791 8.619 -0.828 18514 931 1 4 . 1 1 20 20 THR N N 27 121.441 121.441 119.833 1.608 18514 932 1 4 . 1 1 20 20 THR HA H 27 3.976 3.976 3.916 0.060 18514 933 1 4 . 1 1 20 20 THR C C 27 175.121 175.121 176.301 -1.180 18514 934 1 4 . 1 1 20 20 THR CA C 27 68.900 68.900 66.451 2.450 18514 935 1 4 . 1 1 20 20 THR CB C 27 65.100 65.100 68.702 -3.602 18514 936 1 4 . 1 1 20 20 THR H H 27 7.370 7.370 7.885 -0.515 18514 937 1 4 . 1 1 21 21 CYS N N 28 121.174 121.174 115.612 5.562 18514 938 1 4 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.542 -0.531 18514 939 1 4 . 1 1 21 21 CYS C C 28 174.930 174.930 175.688 -0.758 18514 940 1 4 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.859 0.950 18514 941 1 4 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.865 5.892 18514 942 1 4 . 1 1 21 21 CYS H H 28 9.321 9.321 8.398 0.923 18514 943 1 4 . 1 1 22 22 ARG N N 29 115.643 115.643 119.975 -4.332 18514 944 1 4 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.790 -0.567 18514 945 1 4 . 1 1 22 22 ARG C C 29 177.619 177.619 175.231 2.388 18514 946 1 4 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.733 -3.903 18514 947 1 4 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.525 0.743 18514 948 1 4 . 1 1 22 22 ARG H H 29 7.880 7.880 7.544 0.336 18514 949 1 4 . 1 1 23 23 ASN N N 30 113.854 113.854 116.207 -2.353 18514 950 1 4 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.769 -0.183 18514 951 1 4 . 1 1 23 23 ASN C C 30 174.972 174.972 175.843 -0.871 18514 952 1 4 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.708 -0.232 18514 953 1 4 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.399 0.954 18514 954 1 4 . 1 1 23 23 ASN H H 30 6.816 6.816 7.502 -0.686 18514 955 1 4 . 1 1 24 24 SER N N 31 113.788 113.788 113.362 0.426 18514 956 1 4 . 1 1 24 24 SER HA H 31 4.172 4.172 4.394 -0.222 18514 957 1 4 . 1 1 24 24 SER C C 31 174.820 174.820 174.582 0.238 18514 958 1 4 . 1 1 24 24 SER CA C 31 61.080 61.080 60.664 0.416 18514 959 1 4 . 1 1 24 24 SER CB C 31 63.425 63.425 62.656 0.769 18514 960 1 4 . 1 1 24 24 SER H H 31 8.873 8.873 8.761 0.112 18514 961 1 4 . 1 1 25 25 ARG N N 32 119.696 119.696 118.862 0.834 18514 962 1 4 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.444 -0.237 18514 963 1 4 . 1 1 25 25 ARG C C 32 175.482 175.482 176.215 -0.733 18514 964 1 4 . 1 1 25 25 ARG CA C 32 57.018 57.018 54.963 2.055 18514 965 1 4 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.030 -0.298 18514 966 1 4 . 1 1 25 25 ARG H H 32 8.104 8.104 8.074 0.030 18514 967 1 4 . 1 1 26 26 CYS N N 33 123.061 123.061 122.337 0.724 18514 968 1 4 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.060 -0.373 18514 969 1 4 . 1 1 26 26 CYS C C 33 173.064 173.064 173.485 -0.421 18514 970 1 4 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.614 0.086 18514 971 1 4 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.872 3.082 18514 972 1 4 . 1 1 26 26 CYS H H 33 7.766 7.766 7.814 -0.048 18514 973 1 4 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.330 -0.038 18514 974 1 4 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.065 -0.799 18514 975 1 4 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.532 0.626 18514 976 1 4 . 1 1 28 28 CYS N N 35 129.050 129.050 116.441 12.609 18514 977 1 4 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.199 -0.569 18514 978 1 4 . 1 1 28 28 CYS C C 35 171.254 171.254 176.637 -5.383 18514 979 1 4 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.389 -0.804 18514 980 1 4 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.928 3.319 18514 981 1 4 . 1 1 28 28 CYS H H 35 8.368 8.368 7.841 0.527 18514 982 1 4 . 1 1 29 29 TYR N N 36 124.364 124.364 121.827 2.537 18514 983 1 4 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.285 -0.225 18514 984 1 4 . 1 1 29 29 TYR C C 36 172.650 172.650 178.237 -5.587 18514 985 1 4 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.497 0.624 18514 986 1 4 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.320 -0.399 18514 987 1 4 . 1 1 29 29 TYR H H 36 8.197 8.197 7.817 0.380 18514 988 1 4 . 1 1 30 30 LYS N N 37 117.214 117.214 118.653 -1.439 18514 989 1 4 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.890 -0.111 18514 990 1 4 . 1 1 30 30 LYS C C 37 172.650 172.650 177.358 -4.708 18514 991 1 4 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.132 0.264 18514 992 1 4 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.248 0.384 18514 993 1 4 . 1 1 30 30 LYS H H 37 8.441 8.441 8.018 0.423 18514 994 1 4 . 1 1 31 31 SER N N 38 109.671 109.671 113.613 -3.942 18514 995 1 4 . 1 1 31 31 SER HA H 38 4.348 4.348 4.270 0.078 18514 996 1 4 . 1 1 31 31 SER C C 38 173.566 173.566 173.275 0.291 18514 997 1 4 . 1 1 31 31 SER CA C 38 56.469 56.469 57.796 -1.327 18514 998 1 4 . 1 1 31 31 SER CB C 38 63.461 63.461 63.439 0.022 18514 999 1 4 . 1 1 31 31 SER H H 38 7.180 7.180 7.430 -0.250 18514 1000 1 4 . 1 1 32 32 TYR N N 39 116.096 116.096 113.972 2.124 18514 1001 1 4 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.490 -0.403 18514 1002 1 4 . 1 1 32 32 TYR C C 39 176.728 176.728 174.412 2.316 18514 1003 1 4 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.178 -0.562 18514 1004 1 4 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.804 -0.254 18514 1005 1 4 . 1 1 32 32 TYR H H 39 7.410 7.410 7.280 0.130 18514 1006 1 4 . 1 1 33 33 ASN N N 40 116.549 116.549 116.698 -0.149 18514 1007 1 4 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.847 0.156 18514 1008 1 4 . 1 1 33 33 ASN C C 40 176.083 176.083 174.079 2.004 18514 1009 1 4 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.730 -0.586 18514 1010 1 4 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.861 2.693 18514 1011 1 4 . 1 1 33 33 ASN H H 40 8.257 8.257 7.938 0.319 18514 1012 1 4 . 1 1 34 34 SER N N 41 115.071 115.071 114.352 0.719 18514 1013 1 4 . 1 1 34 34 SER HA H 41 4.477 4.477 4.653 -0.176 18514 1014 1 4 . 1 1 34 34 SER C C 41 174.850 174.850 173.794 1.056 18514 1015 1 4 . 1 1 34 34 SER CA C 41 57.625 57.625 57.301 0.324 18514 1016 1 4 . 1 1 34 34 SER CB C 41 65.000 65.000 65.285 -0.285 18514 1017 1 4 . 1 1 34 34 SER H H 41 8.720 8.720 8.457 0.263 18514 1018 1 4 . 1 1 35 35 CYS N N 42 115.950 115.950 118.860 -2.910 18514 1019 1 4 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.863 0.817 18514 1020 1 4 . 1 1 35 35 CYS C C 42 174.850 174.850 175.033 -0.183 18514 1021 1 4 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.227 1.557 18514 1022 1 4 . 1 1 35 35 CYS CB C 42 31.948 31.948 26.341 5.607 18514 1023 1 4 . 1 1 35 35 CYS H H 42 8.696 8.696 8.927 -0.231 18514 1024 1 4 . 1 1 36 36 ALA N N 43 124.417 124.417 123.719 0.698 18514 1025 1 4 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.205 0.012 18514 1026 1 4 . 1 1 36 36 ALA C C 43 173.572 173.572 177.357 -3.785 18514 1027 1 4 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.803 1.526 18514 1028 1 4 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.109 -0.274 18514 1029 1 4 . 1 1 36 36 ALA H H 43 8.002 8.002 8.205 -0.203 18514 1030 1 4 . 1 1 37 37 GLY N N 44 113.524 113.524 111.384 2.140 18514 1031 1 4 . 1 1 37 37 GLY C C 44 170.263 170.263 174.308 -4.045 18514 1032 1 4 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.680 1.037 18514 1033 1 4 . 1 1 37 37 GLY H H 44 8.932 8.932 8.373 0.559 18514 1034 1 4 . 1 1 38 38 CYS N N 45 120.184 120.184 118.308 1.876 18514 1035 1 4 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.806 -0.730 18514 1036 1 4 . 1 1 38 38 CYS C C 45 170.263 170.263 174.724 -4.461 18514 1037 1 4 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.945 3.941 18514 1038 1 4 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.593 4.029 18514 1039 1 4 . 1 1 38 38 CYS H H 45 7.641 7.641 7.657 -0.016 18514 1040 1 4 . 1 1 39 39 HIS N N 46 118.156 118.156 118.575 -0.419 18514 1041 1 4 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.794 0.256 18514 1042 1 4 . 1 1 39 39 HIS C C 46 174.223 174.223 174.700 -0.477 18514 1043 1 4 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.639 -1.150 18514 1044 1 4 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.644 0.044 18514 1045 1 4 . 1 1 39 39 HIS H H 46 8.234 8.234 9.064 -0.830 18514 1046 1 4 . 1 1 40 40 CYS N N 47 118.354 118.354 117.677 0.677 18514 1047 1 4 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.308 -0.486 18514 1048 1 4 . 1 1 40 40 CYS C C 47 176.296 176.296 174.601 1.695 18514 1049 1 4 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.585 -0.989 18514 1050 1 4 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.511 5.727 18514 1051 1 4 . 1 1 40 40 CYS H H 47 7.403 7.403 7.952 -0.549 18514 1052 1 4 . 1 1 41 41 VAL N N 48 118.968 118.968 124.643 -5.675 18514 1053 1 4 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.264 -0.033 18514 1054 1 4 . 1 1 41 41 VAL C C 48 174.265 174.265 176.096 -1.831 18514 1055 1 4 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.432 -0.201 18514 1056 1 4 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.306 1.392 18514 1057 1 4 . 1 1 41 41 VAL H H 48 8.205 8.205 8.932 -0.727 18514 1058 1 4 . 1 1 42 42 GLY N N 49 115.726 115.726 114.008 1.718 18514 1059 1 4 . 1 1 42 42 GLY C C 49 174.223 174.223 174.010 0.213 18514 1060 1 4 . 1 1 42 42 GLY CA C 49 46.113 46.113 44.890 1.223 18514 1061 1 4 . 1 1 42 42 GLY H H 49 8.634 8.634 8.629 0.005 18514 1062 1 4 . 1 1 43 43 CYS N N 50 119.917 119.917 120.221 -0.304 18514 1063 1 4 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.390 -1.233 18514 1064 1 4 . 1 1 43 43 CYS C C 50 173.428 173.428 174.605 -1.177 18514 1065 1 4 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.618 4.728 18514 1066 1 4 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.015 7.111 18514 1067 1 4 . 1 1 43 43 CYS H H 50 7.670 7.670 8.362 -0.692 18514 1068 1 4 . 1 1 44 44 LYS N N 51 128.057 128.057 130.528 -2.471 18514 1069 1 4 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.403 0.195 18514 1070 1 4 . 1 1 44 44 LYS C C 51 171.776 171.776 174.700 -2.924 18514 1071 1 4 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.504 -0.468 18514 1072 1 4 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.297 -0.572 18514 1073 1 4 . 1 1 44 44 LYS H H 51 7.934 7.934 8.101 -0.167 18514 1074 1 4 . 1 1 45 45 ASN N N 52 125.259 125.259 122.848 2.411 18514 1075 1 4 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.107 -0.340 18514 1076 1 4 . 1 1 45 45 ASN C C 52 171.776 171.776 173.984 -2.208 18514 1077 1 4 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.938 2.312 18514 1078 1 4 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.073 -0.553 18514 1079 1 4 . 1 1 45 45 ASN H H 52 9.076 9.076 8.224 0.852 18514 1080 1 4 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.313 0.150 18514 1081 1 4 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.811 -0.680 18514 1082 1 4 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.781 0.550 18514 1083 1 4 . 1 1 47 47 HIS N N 54 121.186 121.186 118.714 2.472 18514 1084 1 4 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.731 -0.217 18514 1085 1 4 . 1 1 47 47 HIS C C 54 172.204 172.204 175.115 -2.911 18514 1086 1 4 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.900 0.404 18514 1087 1 4 . 1 1 47 47 HIS CB C 54 27.908 27.908 31.076 -3.168 18514 1088 1 4 . 1 1 47 47 HIS H H 54 8.236 8.236 7.964 0.272 18514 1089 1 4 . 1 1 48 48 LYS N N 55 123.556 123.556 124.234 -0.678 18514 1090 1 4 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.351 0.110 18514 1091 1 4 . 1 1 48 48 LYS C C 55 175.066 175.066 176.446 -1.380 18514 1092 1 4 . 1 1 48 48 LYS CA C 55 55.320 55.320 56.495 -1.175 18514 1093 1 4 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.368 0.738 18514 1094 1 4 . 1 1 48 48 LYS H H 55 8.470 8.470 8.584 -0.114 18514 1095 1 4 . 1 1 49 49 GLU N N 56 121.100 121.100 119.996 1.104 18514 1096 1 4 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.321 0.030 18514 1097 1 4 . 1 1 49 49 GLU C C 56 173.210 173.210 176.243 -3.033 18514 1098 1 4 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.201 0.162 18514 1099 1 4 . 1 1 49 49 GLU CB C 56 30.623 30.623 30.126 0.497 18514 1100 1 4 . 1 1 49 49 GLU H H 56 8.523 8.523 8.468 0.055 18514 1101 1 4 . 1 1 50 50 ASP N N 57 121.579 121.579 120.738 0.841 18514 1102 1 4 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.563 0.106 18514 1103 1 4 . 1 1 50 50 ASP C C 57 173.845 173.845 175.935 -2.090 18514 1104 1 4 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.881 -0.590 18514 1105 1 4 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.276 0.176 18514 1106 1 4 . 1 1 50 50 ASP H H 57 8.396 8.396 8.396 -0.000 18514 1107 1 4 . 1 1 51 51 TYR N N 58 120.844 120.844 119.694 1.150 18514 1108 1 4 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.841 -0.324 18514 1109 1 4 . 1 1 51 51 TYR C C 58 173.968 173.968 174.718 -0.750 18514 1110 1 4 . 1 1 51 51 TYR CA C 58 57.796 57.796 56.558 1.238 18514 1111 1 4 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.070 1.888 18514 1112 1 4 . 1 1 51 51 TYR H H 58 8.176 8.176 8.180 -0.004 18514 1113 1 5 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.894 -0.111 18514 1114 1 5 . 1 1 2 2 PRO CA C 9 61.807 61.807 61.917 -0.110 18514 1115 1 5 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.716 -0.925 18514 1116 1 5 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.528 -0.125 18514 1117 1 5 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.951 -0.217 18514 1118 1 5 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.182 -0.294 18514 1119 1 5 . 1 1 4 4 LYS N N 11 124.307 124.307 125.655 -1.348 18514 1120 1 5 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.744 -0.229 18514 1121 1 5 . 1 1 4 4 LYS C C 11 173.272 173.272 174.511 -1.239 18514 1122 1 5 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.964 0.317 18514 1123 1 5 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.144 -1.224 18514 1124 1 5 . 1 1 4 4 LYS H H 11 8.380 8.380 8.244 0.136 18514 1125 1 5 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.433 0.003 18514 1126 1 5 . 1 1 5 5 PRO C C 12 127.380 127.380 175.674 -48.294 18514 1127 1 5 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.662 0.131 18514 1128 1 5 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.224 -0.142 18514 1129 1 5 . 1 1 6 6 LYS N N 13 118.851 118.851 121.902 -3.051 18514 1130 1 5 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.639 0.508 18514 1131 1 5 . 1 1 6 6 LYS C C 13 173.408 173.408 176.321 -2.913 18514 1132 1 5 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.631 -0.174 18514 1133 1 5 . 1 1 6 6 LYS CB C 13 34.841 34.841 32.336 2.505 18514 1134 1 5 . 1 1 6 6 LYS H H 13 8.064 8.064 8.261 -0.197 18514 1135 1 5 . 1 1 7 7 CYS N N 14 127.385 127.385 122.300 5.085 18514 1136 1 5 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.772 0.456 18514 1137 1 5 . 1 1 7 7 CYS C C 14 173.408 173.408 175.283 -1.875 18514 1138 1 5 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.967 -1.375 18514 1139 1 5 . 1 1 7 7 CYS CB C 14 34.861 34.861 29.096 5.765 18514 1140 1 5 . 1 1 7 7 CYS H H 14 9.943 9.943 8.718 1.225 18514 1141 1 5 . 1 1 8 8 ARG N N 15 117.940 117.940 120.576 -2.636 18514 1142 1 5 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.604 -0.258 18514 1143 1 5 . 1 1 8 8 ARG C C 15 175.808 175.808 176.275 -0.467 18514 1144 1 5 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.152 -0.781 18514 1145 1 5 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.500 1.231 18514 1146 1 5 . 1 1 8 8 ARG H H 15 8.835 8.835 8.494 0.341 18514 1147 1 5 . 1 1 9 9 CYS N N 16 122.323 122.323 117.348 4.975 18514 1148 1 5 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.145 -0.121 18514 1149 1 5 . 1 1 9 9 CYS C C 16 174.360 174.360 176.472 -2.112 18514 1150 1 5 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.721 -1.482 18514 1151 1 5 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.579 5.872 18514 1152 1 5 . 1 1 9 9 CYS H H 16 7.433 7.433 8.238 -0.805 18514 1153 1 5 . 1 1 10 10 GLY N N 17 108.065 108.065 114.012 -5.947 18514 1154 1 5 . 1 1 10 10 GLY C C 17 174.518 174.518 175.110 -0.592 18514 1155 1 5 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.292 -0.732 18514 1156 1 5 . 1 1 10 10 GLY H H 17 8.788 8.788 8.867 -0.079 18514 1157 1 5 . 1 1 11 11 ILE N N 18 118.990 118.990 121.586 -2.596 18514 1158 1 5 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.112 -0.135 18514 1159 1 5 . 1 1 11 11 ILE C C 18 173.820 173.820 177.265 -3.445 18514 1160 1 5 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.953 0.638 18514 1161 1 5 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.603 0.120 18514 1162 1 5 . 1 1 11 11 ILE H H 18 7.557 7.557 7.593 -0.036 18514 1163 1 5 . 1 1 12 12 SER N N 19 116.128 116.128 115.196 0.932 18514 1164 1 5 . 1 1 12 12 SER HA H 19 4.510 4.510 4.368 0.142 18514 1165 1 5 . 1 1 12 12 SER C C 19 172.948 172.948 174.630 -1.682 18514 1166 1 5 . 1 1 12 12 SER CA C 19 58.200 58.200 59.859 -1.659 18514 1167 1 5 . 1 1 12 12 SER CB C 19 63.800 63.800 64.023 -0.223 18514 1168 1 5 . 1 1 12 12 SER H H 19 8.418 8.418 8.128 0.290 18514 1169 1 5 . 1 1 13 13 GLY N N 20 110.984 110.984 108.479 2.505 18514 1170 1 5 . 1 1 13 13 GLY C C 20 172.948 172.948 172.131 0.817 18514 1171 1 5 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.442 -0.044 18514 1172 1 5 . 1 1 13 13 GLY H H 20 8.243 8.243 7.602 0.641 18514 1173 1 5 . 1 1 14 14 SER N N 21 114.951 114.951 115.753 -0.802 18514 1174 1 5 . 1 1 14 14 SER HA H 21 4.535 4.535 4.901 -0.366 18514 1175 1 5 . 1 1 14 14 SER C C 21 175.376 175.376 174.084 1.292 18514 1176 1 5 . 1 1 14 14 SER CA C 21 57.930 57.930 58.012 -0.082 18514 1177 1 5 . 1 1 14 14 SER CB C 21 64.080 64.080 64.766 -0.686 18514 1178 1 5 . 1 1 14 14 SER H H 21 8.250 8.250 8.341 -0.091 18514 1179 1 5 . 1 1 15 15 SER N N 22 118.334 118.334 119.268 -0.934 18514 1180 1 5 . 1 1 15 15 SER HA H 22 4.449 4.449 4.470 -0.021 18514 1181 1 5 . 1 1 15 15 SER C C 22 174.863 174.863 174.564 0.299 18514 1182 1 5 . 1 1 15 15 SER CA C 22 57.767 57.767 59.659 -1.892 18514 1183 1 5 . 1 1 15 15 SER CB C 22 63.598 63.598 63.660 -0.062 18514 1184 1 5 . 1 1 15 15 SER H H 22 8.427 8.427 8.541 -0.114 18514 1185 1 5 . 1 1 16 16 ASN N N 23 120.784 120.784 117.677 3.107 18514 1186 1 5 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.855 -0.045 18514 1187 1 5 . 1 1 16 16 ASN C C 23 175.364 175.364 174.638 0.726 18514 1188 1 5 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.842 0.332 18514 1189 1 5 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.143 -1.676 18514 1190 1 5 . 1 1 16 16 ASN H H 23 8.453 8.453 7.923 0.530 18514 1191 1 5 . 1 1 17 17 THR N N 24 115.660 115.660 118.672 -3.012 18514 1192 1 5 . 1 1 17 17 THR HA H 24 4.346 4.346 4.218 0.128 18514 1193 1 5 . 1 1 17 17 THR C C 24 173.428 173.428 175.148 -1.720 18514 1194 1 5 . 1 1 17 17 THR CA C 24 62.126 62.126 65.092 -2.966 18514 1195 1 5 . 1 1 17 17 THR CB C 24 68.777 68.777 68.845 -0.068 18514 1196 1 5 . 1 1 17 17 THR H H 24 8.417 8.417 8.742 -0.325 18514 1197 1 5 . 1 1 18 18 LEU N N 25 121.190 121.190 119.664 1.526 18514 1198 1 5 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.452 -0.158 18514 1199 1 5 . 1 1 18 18 LEU C C 25 173.951 173.951 176.375 -2.424 18514 1200 1 5 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.585 0.663 18514 1201 1 5 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.164 0.143 18514 1202 1 5 . 1 1 18 18 LEU H H 25 8.218 8.218 7.719 0.499 18514 1203 1 5 . 1 1 19 19 THR N N 26 106.988 106.988 111.866 -4.878 18514 1204 1 5 . 1 1 19 19 THR HA H 26 4.230 4.230 4.482 -0.252 18514 1205 1 5 . 1 1 19 19 THR C C 26 171.429 171.429 174.479 -3.050 18514 1206 1 5 . 1 1 19 19 THR CA C 26 60.631 60.631 61.691 -1.060 18514 1207 1 5 . 1 1 19 19 THR CB C 26 68.296 68.296 69.951 -1.655 18514 1208 1 5 . 1 1 19 19 THR H H 26 7.791 7.791 7.857 -0.066 18514 1209 1 5 . 1 1 20 20 THR N N 27 121.441 121.441 119.615 1.826 18514 1210 1 5 . 1 1 20 20 THR HA H 27 3.976 3.976 3.974 0.002 18514 1211 1 5 . 1 1 20 20 THR C C 27 175.121 175.121 175.929 -0.808 18514 1212 1 5 . 1 1 20 20 THR CA C 27 68.900 68.900 66.804 2.096 18514 1213 1 5 . 1 1 20 20 THR CB C 27 65.100 65.100 68.913 -3.813 18514 1214 1 5 . 1 1 20 20 THR H H 27 7.370 7.370 8.234 -0.864 18514 1215 1 5 . 1 1 21 21 CYS N N 28 121.174 121.174 115.291 5.883 18514 1216 1 5 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.527 -0.517 18514 1217 1 5 . 1 1 21 21 CYS C C 28 174.930 174.930 175.447 -0.517 18514 1218 1 5 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.787 1.022 18514 1219 1 5 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.899 5.857 18514 1220 1 5 . 1 1 21 21 CYS H H 28 9.321 9.321 8.520 0.801 18514 1221 1 5 . 1 1 22 22 ARG N N 29 115.643 115.643 119.895 -4.252 18514 1222 1 5 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.146 -0.923 18514 1223 1 5 . 1 1 22 22 ARG C C 29 177.619 177.619 174.323 3.296 18514 1224 1 5 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.715 -2.885 18514 1225 1 5 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.142 1.126 18514 1226 1 5 . 1 1 22 22 ARG H H 29 7.880 7.880 7.478 0.402 18514 1227 1 5 . 1 1 23 23 ASN N N 30 113.854 113.854 115.960 -2.106 18514 1228 1 5 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.539 0.047 18514 1229 1 5 . 1 1 23 23 ASN C C 30 174.972 174.972 175.810 -0.838 18514 1230 1 5 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.445 0.031 18514 1231 1 5 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.380 0.973 18514 1232 1 5 . 1 1 23 23 ASN H H 30 6.816 6.816 7.326 -0.510 18514 1233 1 5 . 1 1 24 24 SER N N 31 113.788 113.788 114.400 -0.612 18514 1234 1 5 . 1 1 24 24 SER HA H 31 4.172 4.172 4.319 -0.147 18514 1235 1 5 . 1 1 24 24 SER C C 31 174.820 174.820 175.202 -0.382 18514 1236 1 5 . 1 1 24 24 SER CA C 31 61.080 61.080 61.608 -0.528 18514 1237 1 5 . 1 1 24 24 SER CB C 31 63.425 63.425 62.817 0.608 18514 1238 1 5 . 1 1 24 24 SER H H 31 8.873 8.873 8.702 0.171 18514 1239 1 5 . 1 1 25 25 ARG N N 32 119.696 119.696 118.630 1.066 18514 1240 1 5 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.336 -0.129 18514 1241 1 5 . 1 1 25 25 ARG C C 32 175.482 175.482 176.169 -0.687 18514 1242 1 5 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.318 0.700 18514 1243 1 5 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.464 -0.732 18514 1244 1 5 . 1 1 25 25 ARG H H 32 8.104 8.104 8.092 0.012 18514 1245 1 5 . 1 1 26 26 CYS N N 33 123.061 123.061 121.835 1.226 18514 1246 1 5 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.039 -0.352 18514 1247 1 5 . 1 1 26 26 CYS C C 33 173.064 173.064 173.794 -0.730 18514 1248 1 5 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.683 0.017 18514 1249 1 5 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.857 3.097 18514 1250 1 5 . 1 1 26 26 CYS H H 33 7.766 7.766 7.893 -0.127 18514 1251 1 5 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.421 -0.129 18514 1252 1 5 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.868 -0.602 18514 1253 1 5 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.361 0.797 18514 1254 1 5 . 1 1 28 28 CYS N N 35 129.050 129.050 116.232 12.818 18514 1255 1 5 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.306 -0.676 18514 1256 1 5 . 1 1 28 28 CYS C C 35 171.254 171.254 176.446 -5.192 18514 1257 1 5 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.966 -0.381 18514 1258 1 5 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.574 2.673 18514 1259 1 5 . 1 1 28 28 CYS H H 35 8.368 8.368 7.682 0.686 18514 1260 1 5 . 1 1 29 29 TYR N N 36 124.364 124.364 122.005 2.359 18514 1261 1 5 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.879 0.181 18514 1262 1 5 . 1 1 29 29 TYR C C 36 172.650 172.650 177.796 -5.146 18514 1263 1 5 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.424 0.697 18514 1264 1 5 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.319 -0.398 18514 1265 1 5 . 1 1 29 29 TYR H H 36 8.197 8.197 7.910 0.287 18514 1266 1 5 . 1 1 30 30 LYS N N 37 117.214 117.214 119.024 -1.810 18514 1267 1 5 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.833 -0.054 18514 1268 1 5 . 1 1 30 30 LYS C C 37 172.650 172.650 176.824 -4.174 18514 1269 1 5 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.553 -0.157 18514 1270 1 5 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.472 0.160 18514 1271 1 5 . 1 1 30 30 LYS H H 37 8.441 8.441 7.933 0.508 18514 1272 1 5 . 1 1 31 31 SER N N 38 109.671 109.671 112.323 -2.652 18514 1273 1 5 . 1 1 31 31 SER HA H 38 4.348 4.348 4.377 -0.029 18514 1274 1 5 . 1 1 31 31 SER C C 38 173.566 173.566 173.403 0.163 18514 1275 1 5 . 1 1 31 31 SER CA C 38 56.469 56.469 58.046 -1.577 18514 1276 1 5 . 1 1 31 31 SER CB C 38 63.461 63.461 63.745 -0.284 18514 1277 1 5 . 1 1 31 31 SER H H 38 7.180 7.180 7.530 -0.350 18514 1278 1 5 . 1 1 32 32 TYR N N 39 116.096 116.096 116.895 -0.799 18514 1279 1 5 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.650 -0.563 18514 1280 1 5 . 1 1 32 32 TYR C C 39 176.728 176.728 174.720 2.008 18514 1281 1 5 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.182 -0.566 18514 1282 1 5 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.512 -0.962 18514 1283 1 5 . 1 1 32 32 TYR H H 39 7.410 7.410 6.982 0.428 18514 1284 1 5 . 1 1 33 33 ASN N N 40 116.549 116.549 117.093 -0.544 18514 1285 1 5 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.956 0.047 18514 1286 1 5 . 1 1 33 33 ASN C C 40 176.083 176.083 174.240 1.843 18514 1287 1 5 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.426 -0.282 18514 1288 1 5 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.859 2.695 18514 1289 1 5 . 1 1 33 33 ASN H H 40 8.257 8.257 8.181 0.076 18514 1290 1 5 . 1 1 34 34 SER N N 41 115.071 115.071 113.850 1.221 18514 1291 1 5 . 1 1 34 34 SER HA H 41 4.477 4.477 4.998 -0.521 18514 1292 1 5 . 1 1 34 34 SER C C 41 174.850 174.850 175.279 -0.429 18514 1293 1 5 . 1 1 34 34 SER CA C 41 57.625 57.625 57.463 0.162 18514 1294 1 5 . 1 1 34 34 SER CB C 41 65.000 65.000 65.121 -0.120 18514 1295 1 5 . 1 1 34 34 SER H H 41 8.720 8.720 8.255 0.465 18514 1296 1 5 . 1 1 35 35 CYS N N 42 115.950 115.950 124.082 -8.132 18514 1297 1 5 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.626 1.054 18514 1298 1 5 . 1 1 35 35 CYS C C 42 174.850 174.850 174.695 0.155 18514 1299 1 5 . 1 1 35 35 CYS CA C 42 59.784 59.784 59.095 0.689 18514 1300 1 5 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.539 7.409 18514 1301 1 5 . 1 1 35 35 CYS H H 42 8.696 8.696 8.648 0.048 18514 1302 1 5 . 1 1 36 36 ALA N N 43 124.417 124.417 125.912 -1.495 18514 1303 1 5 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.609 -0.392 18514 1304 1 5 . 1 1 36 36 ALA C C 43 173.572 173.572 176.646 -3.074 18514 1305 1 5 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.516 2.813 18514 1306 1 5 . 1 1 36 36 ALA CB C 43 17.835 17.835 20.210 -2.375 18514 1307 1 5 . 1 1 36 36 ALA H H 43 8.002 8.002 7.777 0.225 18514 1308 1 5 . 1 1 37 37 GLY N N 44 113.524 113.524 111.115 2.409 18514 1309 1 5 . 1 1 37 37 GLY C C 44 170.263 170.263 174.331 -4.068 18514 1310 1 5 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.117 0.600 18514 1311 1 5 . 1 1 37 37 GLY H H 44 8.932 8.932 8.715 0.217 18514 1312 1 5 . 1 1 38 38 CYS N N 45 120.184 120.184 118.403 1.781 18514 1313 1 5 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.706 -0.630 18514 1314 1 5 . 1 1 38 38 CYS C C 45 170.263 170.263 175.341 -5.078 18514 1315 1 5 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.093 3.793 18514 1316 1 5 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.443 4.179 18514 1317 1 5 . 1 1 38 38 CYS H H 45 7.641 7.641 7.884 -0.243 18514 1318 1 5 . 1 1 39 39 HIS N N 46 118.156 118.156 118.699 -0.543 18514 1319 1 5 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.708 0.342 18514 1320 1 5 . 1 1 39 39 HIS C C 46 174.223 174.223 175.071 -0.848 18514 1321 1 5 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.281 -0.792 18514 1322 1 5 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.682 0.006 18514 1323 1 5 . 1 1 39 39 HIS H H 46 8.234 8.234 8.646 -0.412 18514 1324 1 5 . 1 1 40 40 CYS N N 47 118.354 118.354 116.923 1.431 18514 1325 1 5 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.930 -0.108 18514 1326 1 5 . 1 1 40 40 CYS C C 47 176.296 176.296 175.090 1.206 18514 1327 1 5 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.740 -1.144 18514 1328 1 5 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.127 6.111 18514 1329 1 5 . 1 1 40 40 CYS H H 47 7.403 7.403 7.934 -0.531 18514 1330 1 5 . 1 1 41 41 VAL N N 48 118.968 118.968 124.651 -5.683 18514 1331 1 5 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.200 0.031 18514 1332 1 5 . 1 1 41 41 VAL C C 48 174.265 174.265 176.293 -2.028 18514 1333 1 5 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.911 -0.680 18514 1334 1 5 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.933 1.765 18514 1335 1 5 . 1 1 41 41 VAL H H 48 8.205 8.205 8.848 -0.643 18514 1336 1 5 . 1 1 42 42 GLY N N 49 115.726 115.726 114.971 0.755 18514 1337 1 5 . 1 1 42 42 GLY C C 49 174.223 174.223 173.617 0.606 18514 1338 1 5 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.120 0.993 18514 1339 1 5 . 1 1 42 42 GLY H H 49 8.634 8.634 8.669 -0.035 18514 1340 1 5 . 1 1 43 43 CYS N N 50 119.917 119.917 119.629 0.288 18514 1341 1 5 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.484 -1.327 18514 1342 1 5 . 1 1 43 43 CYS C C 50 173.428 173.428 174.527 -1.099 18514 1343 1 5 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.100 5.246 18514 1344 1 5 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.518 5.608 18514 1345 1 5 . 1 1 43 43 CYS H H 50 7.670 7.670 8.370 -0.700 18514 1346 1 5 . 1 1 44 44 LYS N N 51 128.057 128.057 129.270 -1.213 18514 1347 1 5 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.428 0.170 18514 1348 1 5 . 1 1 44 44 LYS C C 51 171.776 171.776 174.771 -2.995 18514 1349 1 5 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.989 -0.953 18514 1350 1 5 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.962 -1.237 18514 1351 1 5 . 1 1 44 44 LYS H H 51 7.934 7.934 8.511 -0.577 18514 1352 1 5 . 1 1 45 45 ASN N N 52 125.259 125.259 123.101 2.158 18514 1353 1 5 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.169 -0.402 18514 1354 1 5 . 1 1 45 45 ASN C C 52 171.776 171.776 174.361 -2.585 18514 1355 1 5 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.865 2.385 18514 1356 1 5 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.347 -0.827 18514 1357 1 5 . 1 1 45 45 ASN H H 52 9.076 9.076 8.363 0.713 18514 1358 1 5 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.388 0.075 18514 1359 1 5 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.037 -0.906 18514 1360 1 5 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.409 -0.078 18514 1361 1 5 . 1 1 47 47 HIS N N 54 121.186 121.186 119.711 1.475 18514 1362 1 5 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.864 -0.350 18514 1363 1 5 . 1 1 47 47 HIS C C 54 172.204 172.204 174.816 -2.612 18514 1364 1 5 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.173 1.131 18514 1365 1 5 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.753 -1.845 18514 1366 1 5 . 1 1 47 47 HIS H H 54 8.236 8.236 8.908 -0.672 18514 1367 1 5 . 1 1 48 48 LYS N N 55 123.556 123.556 125.316 -1.760 18514 1368 1 5 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.657 -0.196 18514 1369 1 5 . 1 1 48 48 LYS C C 55 175.066 175.066 176.253 -1.187 18514 1370 1 5 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.283 1.037 18514 1371 1 5 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.566 0.540 18514 1372 1 5 . 1 1 48 48 LYS H H 55 8.470 8.470 7.798 0.672 18514 1373 1 5 . 1 1 49 49 GLU N N 56 121.100 121.100 121.639 -0.539 18514 1374 1 5 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.361 -0.010 18514 1375 1 5 . 1 1 49 49 GLU C C 56 173.210 173.210 175.481 -2.271 18514 1376 1 5 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.382 -0.019 18514 1377 1 5 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.737 0.886 18514 1378 1 5 . 1 1 49 49 GLU H H 56 8.523 8.523 8.675 -0.152 18514 1379 1 5 . 1 1 50 50 ASP N N 57 121.579 121.579 127.760 -6.181 18514 1380 1 5 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.759 -0.090 18514 1381 1 5 . 1 1 50 50 ASP C C 57 173.845 173.845 175.088 -1.243 18514 1382 1 5 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.232 0.059 18514 1383 1 5 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.524 -0.072 18514 1384 1 5 . 1 1 50 50 ASP H H 57 8.396 8.396 8.179 0.217 18514 1385 1 5 . 1 1 51 51 TYR N N 58 120.844 120.844 125.013 -4.169 18514 1386 1 5 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.792 -0.275 18514 1387 1 5 . 1 1 51 51 TYR C C 58 173.968 173.968 174.531 -0.563 18514 1388 1 5 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.026 0.770 18514 1389 1 5 . 1 1 51 51 TYR CB C 58 38.958 38.958 40.434 -1.476 18514 1390 1 5 . 1 1 51 51 TYR H H 58 8.176 8.176 8.381 -0.205 18514 1391 1 6 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.593 0.190 18514 1392 1 6 . 1 1 2 2 PRO CA C 9 61.807 61.807 61.827 -0.020 18514 1393 1 6 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.680 -0.889 18514 1394 1 6 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.431 -0.028 18514 1395 1 6 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.346 -0.612 18514 1396 1 6 . 1 1 3 3 PRO CB C 10 31.888 31.888 31.745 0.142 18514 1397 1 6 . 1 1 4 4 LYS N N 11 124.307 124.307 123.293 1.014 18514 1398 1 6 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.809 -0.294 18514 1399 1 6 . 1 1 4 4 LYS C C 11 173.272 173.272 174.235 -0.963 18514 1400 1 6 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.049 1.232 18514 1401 1 6 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.135 -1.215 18514 1402 1 6 . 1 1 4 4 LYS H H 11 8.380 8.380 7.928 0.452 18514 1403 1 6 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.377 0.059 18514 1404 1 6 . 1 1 5 5 PRO C C 12 127.380 127.380 175.883 -48.503 18514 1405 1 6 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.602 0.191 18514 1406 1 6 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.169 -0.087 18514 1407 1 6 . 1 1 6 6 LYS N N 13 118.851 118.851 122.483 -3.632 18514 1408 1 6 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.568 0.579 18514 1409 1 6 . 1 1 6 6 LYS C C 13 173.408 173.408 176.493 -3.085 18514 1410 1 6 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.974 -0.517 18514 1411 1 6 . 1 1 6 6 LYS CB C 13 34.841 34.841 33.039 1.802 18514 1412 1 6 . 1 1 6 6 LYS H H 13 8.064 8.064 8.280 -0.216 18514 1413 1 6 . 1 1 7 7 CYS N N 14 127.385 127.385 122.008 5.377 18514 1414 1 6 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.738 0.490 18514 1415 1 6 . 1 1 7 7 CYS C C 14 173.408 173.408 175.261 -1.853 18514 1416 1 6 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.747 -0.155 18514 1417 1 6 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.357 4.504 18514 1418 1 6 . 1 1 7 7 CYS H H 14 9.943 9.943 8.264 1.679 18514 1419 1 6 . 1 1 8 8 ARG N N 15 117.940 117.940 119.563 -1.623 18514 1420 1 6 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.562 -0.216 18514 1421 1 6 . 1 1 8 8 ARG C C 15 175.808 175.808 176.194 -0.386 18514 1422 1 6 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.066 -0.695 18514 1423 1 6 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.539 1.192 18514 1424 1 6 . 1 1 8 8 ARG H H 15 8.835 8.835 8.459 0.376 18514 1425 1 6 . 1 1 9 9 CYS N N 16 122.323 122.323 117.997 4.326 18514 1426 1 6 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.906 -0.882 18514 1427 1 6 . 1 1 9 9 CYS C C 16 174.360 174.360 176.452 -2.092 18514 1428 1 6 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.520 -0.281 18514 1429 1 6 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.241 6.210 18514 1430 1 6 . 1 1 9 9 CYS H H 16 7.433 7.433 8.293 -0.860 18514 1431 1 6 . 1 1 10 10 GLY N N 17 108.065 108.065 114.242 -6.177 18514 1432 1 6 . 1 1 10 10 GLY C C 17 174.518 174.518 175.276 -0.758 18514 1433 1 6 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.306 -0.746 18514 1434 1 6 . 1 1 10 10 GLY H H 17 8.788 8.788 8.264 0.524 18514 1435 1 6 . 1 1 11 11 ILE N N 18 118.990 118.990 121.925 -2.935 18514 1436 1 6 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.097 -0.120 18514 1437 1 6 . 1 1 11 11 ILE C C 18 173.820 173.820 176.318 -2.498 18514 1438 1 6 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.173 0.417 18514 1439 1 6 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.840 -0.116 18514 1440 1 6 . 1 1 11 11 ILE H H 18 7.557 7.557 7.577 -0.020 18514 1441 1 6 . 1 1 12 12 SER N N 19 116.128 116.128 117.258 -1.130 18514 1442 1 6 . 1 1 12 12 SER HA H 19 4.510 4.510 4.666 -0.156 18514 1443 1 6 . 1 1 12 12 SER C C 19 172.948 172.948 173.082 -0.134 18514 1444 1 6 . 1 1 12 12 SER CA C 19 58.200 58.200 57.968 0.233 18514 1445 1 6 . 1 1 12 12 SER CB C 19 63.800 63.800 63.782 0.018 18514 1446 1 6 . 1 1 12 12 SER H H 19 8.418 8.418 8.450 -0.032 18514 1447 1 6 . 1 1 13 13 GLY N N 20 110.984 110.984 112.137 -1.153 18514 1448 1 6 . 1 1 13 13 GLY C C 20 172.948 172.948 174.662 -1.714 18514 1449 1 6 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.149 0.249 18514 1450 1 6 . 1 1 13 13 GLY H H 20 8.243 8.243 8.345 -0.102 18514 1451 1 6 . 1 1 14 14 SER N N 21 114.951 114.951 117.205 -2.254 18514 1452 1 6 . 1 1 14 14 SER HA H 21 4.535 4.535 4.421 0.114 18514 1453 1 6 . 1 1 14 14 SER C C 21 175.376 175.376 175.564 -0.188 18514 1454 1 6 . 1 1 14 14 SER CA C 21 57.930 57.930 59.074 -1.144 18514 1455 1 6 . 1 1 14 14 SER CB C 21 64.080 64.080 63.188 0.893 18514 1456 1 6 . 1 1 14 14 SER H H 21 8.250 8.250 8.240 0.010 18514 1457 1 6 . 1 1 15 15 SER N N 22 118.334 118.334 119.488 -1.154 18514 1458 1 6 . 1 1 15 15 SER HA H 22 4.449 4.449 4.536 -0.087 18514 1459 1 6 . 1 1 15 15 SER C C 22 174.863 174.863 172.975 1.888 18514 1460 1 6 . 1 1 15 15 SER CA C 22 57.767 57.767 57.815 -0.048 18514 1461 1 6 . 1 1 15 15 SER CB C 22 63.598 63.598 62.231 1.367 18514 1462 1 6 . 1 1 15 15 SER H H 22 8.427 8.427 8.055 0.372 18514 1463 1 6 . 1 1 16 16 ASN N N 23 120.784 120.784 118.174 2.610 18514 1464 1 6 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.513 0.297 18514 1465 1 6 . 1 1 16 16 ASN C C 23 175.364 175.364 175.969 -0.605 18514 1466 1 6 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.865 -0.691 18514 1467 1 6 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.389 0.078 18514 1468 1 6 . 1 1 16 16 ASN H H 23 8.453 8.453 7.868 0.585 18514 1469 1 6 . 1 1 17 17 THR N N 24 115.660 115.660 113.025 2.635 18514 1470 1 6 . 1 1 17 17 THR HA H 24 4.346 4.346 4.116 0.230 18514 1471 1 6 . 1 1 17 17 THR C C 24 173.428 173.428 174.647 -1.219 18514 1472 1 6 . 1 1 17 17 THR CA C 24 62.126 62.126 64.263 -2.137 18514 1473 1 6 . 1 1 17 17 THR CB C 24 68.777 68.777 68.955 -0.178 18514 1474 1 6 . 1 1 17 17 THR H H 24 8.417 8.417 8.464 -0.047 18514 1475 1 6 . 1 1 18 18 LEU N N 25 121.190 121.190 119.657 1.533 18514 1476 1 6 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.514 -0.220 18514 1477 1 6 . 1 1 18 18 LEU C C 25 173.951 173.951 176.701 -2.750 18514 1478 1 6 . 1 1 18 18 LEU CA C 25 56.248 56.248 54.964 1.284 18514 1479 1 6 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.333 0.974 18514 1480 1 6 . 1 1 18 18 LEU H H 25 8.218 8.218 7.760 0.458 18514 1481 1 6 . 1 1 19 19 THR N N 26 106.988 106.988 111.503 -4.515 18514 1482 1 6 . 1 1 19 19 THR HA H 26 4.230 4.230 4.607 -0.377 18514 1483 1 6 . 1 1 19 19 THR C C 26 171.429 171.429 175.582 -4.153 18514 1484 1 6 . 1 1 19 19 THR CA C 26 60.631 60.631 61.638 -1.007 18514 1485 1 6 . 1 1 19 19 THR CB C 26 68.296 68.296 69.986 -1.690 18514 1486 1 6 . 1 1 19 19 THR H H 26 7.791 7.791 7.551 0.240 18514 1487 1 6 . 1 1 20 20 THR N N 27 121.441 121.441 119.868 1.573 18514 1488 1 6 . 1 1 20 20 THR HA H 27 3.976 3.976 4.039 -0.063 18514 1489 1 6 . 1 1 20 20 THR C C 27 175.121 175.121 175.678 -0.557 18514 1490 1 6 . 1 1 20 20 THR CA C 27 68.900 68.900 66.317 2.583 18514 1491 1 6 . 1 1 20 20 THR CB C 27 65.100 65.100 68.361 -3.260 18514 1492 1 6 . 1 1 20 20 THR H H 27 7.370 7.370 8.382 -1.012 18514 1493 1 6 . 1 1 21 21 CYS N N 28 121.174 121.174 116.214 4.960 18514 1494 1 6 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.475 -0.465 18514 1495 1 6 . 1 1 21 21 CYS C C 28 174.930 174.930 175.194 -0.264 18514 1496 1 6 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.854 0.955 18514 1497 1 6 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.697 6.060 18514 1498 1 6 . 1 1 21 21 CYS H H 28 9.321 9.321 8.486 0.835 18514 1499 1 6 . 1 1 22 22 ARG N N 29 115.643 115.643 120.501 -4.858 18514 1500 1 6 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.139 -0.916 18514 1501 1 6 . 1 1 22 22 ARG C C 29 177.619 177.619 173.653 3.966 18514 1502 1 6 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.604 -2.774 18514 1503 1 6 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.149 1.119 18514 1504 1 6 . 1 1 22 22 ARG H H 29 7.880 7.880 7.586 0.294 18514 1505 1 6 . 1 1 23 23 ASN N N 30 113.854 113.854 114.315 -0.461 18514 1506 1 6 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.504 0.082 18514 1507 1 6 . 1 1 23 23 ASN C C 30 174.972 174.972 175.346 -0.374 18514 1508 1 6 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.571 -0.095 18514 1509 1 6 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.475 0.878 18514 1510 1 6 . 1 1 23 23 ASN H H 30 6.816 6.816 7.080 -0.264 18514 1511 1 6 . 1 1 24 24 SER N N 31 113.788 113.788 113.520 0.268 18514 1512 1 6 . 1 1 24 24 SER HA H 31 4.172 4.172 4.442 -0.270 18514 1513 1 6 . 1 1 24 24 SER C C 31 174.820 174.820 174.961 -0.141 18514 1514 1 6 . 1 1 24 24 SER CA C 31 61.080 61.080 60.355 0.725 18514 1515 1 6 . 1 1 24 24 SER CB C 31 63.425 63.425 62.844 0.581 18514 1516 1 6 . 1 1 24 24 SER H H 31 8.873 8.873 8.703 0.170 18514 1517 1 6 . 1 1 25 25 ARG N N 32 119.696 119.696 118.913 0.783 18514 1518 1 6 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.464 -0.257 18514 1519 1 6 . 1 1 25 25 ARG C C 32 175.482 175.482 176.467 -0.985 18514 1520 1 6 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.912 1.106 18514 1521 1 6 . 1 1 25 25 ARG CB C 32 29.732 29.732 31.020 -1.288 18514 1522 1 6 . 1 1 25 25 ARG H H 32 8.104 8.104 8.097 0.007 18514 1523 1 6 . 1 1 26 26 CYS N N 33 123.061 123.061 122.975 0.086 18514 1524 1 6 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.912 -0.225 18514 1525 1 6 . 1 1 26 26 CYS C C 33 173.064 173.064 174.131 -1.067 18514 1526 1 6 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.281 -0.581 18514 1527 1 6 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.051 3.903 18514 1528 1 6 . 1 1 26 26 CYS H H 33 7.766 7.766 7.829 -0.063 18514 1529 1 6 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.311 -0.019 18514 1530 1 6 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.221 -0.955 18514 1531 1 6 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.518 0.640 18514 1532 1 6 . 1 1 28 28 CYS N N 35 129.050 129.050 115.812 13.238 18514 1533 1 6 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.263 -0.633 18514 1534 1 6 . 1 1 28 28 CYS C C 35 171.254 171.254 176.640 -5.386 18514 1535 1 6 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.229 -0.644 18514 1536 1 6 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.251 2.996 18514 1537 1 6 . 1 1 28 28 CYS H H 35 8.368 8.368 7.819 0.549 18514 1538 1 6 . 1 1 29 29 TYR N N 36 124.364 124.364 122.071 2.293 18514 1539 1 6 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.938 0.122 18514 1540 1 6 . 1 1 29 29 TYR C C 36 172.650 172.650 177.811 -5.161 18514 1541 1 6 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.511 0.610 18514 1542 1 6 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.181 -0.260 18514 1543 1 6 . 1 1 29 29 TYR H H 36 8.197 8.197 8.002 0.195 18514 1544 1 6 . 1 1 30 30 LYS N N 37 117.214 117.214 119.244 -2.030 18514 1545 1 6 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.901 -0.122 18514 1546 1 6 . 1 1 30 30 LYS C C 37 172.650 172.650 177.359 -4.709 18514 1547 1 6 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.450 -0.054 18514 1548 1 6 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.088 0.544 18514 1549 1 6 . 1 1 30 30 LYS H H 37 8.441 8.441 7.917 0.524 18514 1550 1 6 . 1 1 31 31 SER N N 38 109.671 109.671 112.578 -2.907 18514 1551 1 6 . 1 1 31 31 SER HA H 38 4.348 4.348 4.353 -0.005 18514 1552 1 6 . 1 1 31 31 SER C C 38 173.566 173.566 173.271 0.295 18514 1553 1 6 . 1 1 31 31 SER CA C 38 56.469 56.469 58.461 -1.992 18514 1554 1 6 . 1 1 31 31 SER CB C 38 63.461 63.461 63.507 -0.046 18514 1555 1 6 . 1 1 31 31 SER H H 38 7.180 7.180 7.406 -0.226 18514 1556 1 6 . 1 1 32 32 TYR N N 39 116.096 116.096 114.733 1.363 18514 1557 1 6 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.349 -0.262 18514 1558 1 6 . 1 1 32 32 TYR C C 39 176.728 176.728 174.442 2.286 18514 1559 1 6 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.293 -0.677 18514 1560 1 6 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.006 -0.456 18514 1561 1 6 . 1 1 32 32 TYR H H 39 7.410 7.410 7.070 0.340 18514 1562 1 6 . 1 1 33 33 ASN N N 40 116.549 116.549 118.194 -1.645 18514 1563 1 6 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.988 0.015 18514 1564 1 6 . 1 1 33 33 ASN C C 40 176.083 176.083 174.130 1.953 18514 1565 1 6 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.742 -0.598 18514 1566 1 6 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.822 2.732 18514 1567 1 6 . 1 1 33 33 ASN H H 40 8.257 8.257 8.114 0.143 18514 1568 1 6 . 1 1 34 34 SER N N 41 115.071 115.071 114.198 0.873 18514 1569 1 6 . 1 1 34 34 SER HA H 41 4.477 4.477 4.674 -0.197 18514 1570 1 6 . 1 1 34 34 SER C C 41 174.850 174.850 174.245 0.605 18514 1571 1 6 . 1 1 34 34 SER CA C 41 57.625 57.625 57.774 -0.149 18514 1572 1 6 . 1 1 34 34 SER CB C 41 65.000 65.000 65.095 -0.095 18514 1573 1 6 . 1 1 34 34 SER H H 41 8.720 8.720 8.345 0.375 18514 1574 1 6 . 1 1 35 35 CYS N N 42 115.950 115.950 119.090 -3.140 18514 1575 1 6 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.786 0.894 18514 1576 1 6 . 1 1 35 35 CYS C C 42 174.850 174.850 175.279 -0.429 18514 1577 1 6 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.040 1.744 18514 1578 1 6 . 1 1 35 35 CYS CB C 42 31.948 31.948 26.069 5.879 18514 1579 1 6 . 1 1 35 35 CYS H H 42 8.696 8.696 9.014 -0.318 18514 1580 1 6 . 1 1 36 36 ALA N N 43 124.417 124.417 124.306 0.111 18514 1581 1 6 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.224 -0.007 18514 1582 1 6 . 1 1 36 36 ALA C C 43 173.572 173.572 177.330 -3.758 18514 1583 1 6 . 1 1 36 36 ALA CA C 43 54.329 54.329 53.055 1.274 18514 1584 1 6 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.119 -0.284 18514 1585 1 6 . 1 1 36 36 ALA H H 43 8.002 8.002 8.175 -0.173 18514 1586 1 6 . 1 1 37 37 GLY N N 44 113.524 113.524 110.892 2.632 18514 1587 1 6 . 1 1 37 37 GLY C C 44 170.263 170.263 174.557 -4.294 18514 1588 1 6 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.753 0.964 18514 1589 1 6 . 1 1 37 37 GLY H H 44 8.932 8.932 8.363 0.569 18514 1590 1 6 . 1 1 38 38 CYS N N 45 120.184 120.184 119.709 0.475 18514 1591 1 6 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.617 -0.541 18514 1592 1 6 . 1 1 38 38 CYS C C 45 170.263 170.263 175.688 -5.425 18514 1593 1 6 . 1 1 38 38 CYS CA C 45 61.886 61.886 59.497 2.389 18514 1594 1 6 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.358 5.264 18514 1595 1 6 . 1 1 38 38 CYS H H 45 7.641 7.641 7.745 -0.104 18514 1596 1 6 . 1 1 39 39 HIS N N 46 118.156 118.156 118.473 -0.317 18514 1597 1 6 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.642 0.408 18514 1598 1 6 . 1 1 39 39 HIS C C 46 174.223 174.223 175.118 -0.895 18514 1599 1 6 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.546 -1.057 18514 1600 1 6 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.337 0.351 18514 1601 1 6 . 1 1 39 39 HIS H H 46 8.234 8.234 8.979 -0.745 18514 1602 1 6 . 1 1 40 40 CYS N N 47 118.354 118.354 117.319 1.035 18514 1603 1 6 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.605 0.217 18514 1604 1 6 . 1 1 40 40 CYS C C 47 176.296 176.296 174.986 1.310 18514 1605 1 6 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.393 -1.797 18514 1606 1 6 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.093 6.145 18514 1607 1 6 . 1 1 40 40 CYS H H 47 7.403 7.403 7.912 -0.509 18514 1608 1 6 . 1 1 41 41 VAL N N 48 118.968 118.968 125.519 -6.551 18514 1609 1 6 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.268 -0.037 18514 1610 1 6 . 1 1 41 41 VAL C C 48 174.265 174.265 176.326 -2.061 18514 1611 1 6 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.521 -0.290 18514 1612 1 6 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.208 2.490 18514 1613 1 6 . 1 1 41 41 VAL H H 48 8.205 8.205 8.582 -0.377 18514 1614 1 6 . 1 1 42 42 GLY N N 49 115.726 115.726 115.280 0.446 18514 1615 1 6 . 1 1 42 42 GLY C C 49 174.223 174.223 173.505 0.718 18514 1616 1 6 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.148 0.965 18514 1617 1 6 . 1 1 42 42 GLY H H 49 8.634 8.634 8.742 -0.108 18514 1618 1 6 . 1 1 43 43 CYS N N 50 119.917 119.917 119.792 0.125 18514 1619 1 6 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.570 -1.413 18514 1620 1 6 . 1 1 43 43 CYS C C 50 173.428 173.428 174.646 -1.218 18514 1621 1 6 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.664 5.682 18514 1622 1 6 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.475 5.651 18514 1623 1 6 . 1 1 43 43 CYS H H 50 7.670 7.670 8.315 -0.645 18514 1624 1 6 . 1 1 44 44 LYS N N 51 128.057 128.057 129.846 -1.789 18514 1625 1 6 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.424 0.174 18514 1626 1 6 . 1 1 44 44 LYS C C 51 171.776 171.776 174.846 -3.070 18514 1627 1 6 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.622 -0.586 18514 1628 1 6 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.518 -0.793 18514 1629 1 6 . 1 1 44 44 LYS H H 51 7.934 7.934 8.464 -0.530 18514 1630 1 6 . 1 1 45 45 ASN N N 52 125.259 125.259 122.520 2.739 18514 1631 1 6 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.151 -0.384 18514 1632 1 6 . 1 1 45 45 ASN C C 52 171.776 171.776 174.933 -3.157 18514 1633 1 6 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.961 2.289 18514 1634 1 6 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.810 -0.290 18514 1635 1 6 . 1 1 45 45 ASN H H 52 9.076 9.076 8.431 0.645 18514 1636 1 6 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.442 0.021 18514 1637 1 6 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.642 -0.510 18514 1638 1 6 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.186 0.145 18514 1639 1 6 . 1 1 47 47 HIS N N 54 121.186 121.186 120.279 0.907 18514 1640 1 6 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.704 -0.190 18514 1641 1 6 . 1 1 47 47 HIS C C 54 172.204 172.204 174.444 -2.240 18514 1642 1 6 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.001 0.303 18514 1643 1 6 . 1 1 47 47 HIS CB C 54 27.908 27.908 31.501 -3.593 18514 1644 1 6 . 1 1 47 47 HIS H H 54 8.236 8.236 8.747 -0.511 18514 1645 1 6 . 1 1 48 48 LYS N N 55 123.556 123.556 120.819 2.737 18514 1646 1 6 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.380 0.081 18514 1647 1 6 . 1 1 48 48 LYS C C 55 175.066 175.066 175.410 -0.344 18514 1648 1 6 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.979 0.341 18514 1649 1 6 . 1 1 48 48 LYS CB C 55 34.106 34.106 36.288 -2.183 18514 1650 1 6 . 1 1 48 48 LYS H H 55 8.470 8.470 8.522 -0.052 18514 1651 1 6 . 1 1 49 49 GLU N N 56 121.100 121.100 125.678 -4.578 18514 1652 1 6 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.336 0.015 18514 1653 1 6 . 1 1 49 49 GLU C C 56 173.210 173.210 175.091 -1.881 18514 1654 1 6 . 1 1 49 49 GLU CA C 56 56.363 56.363 55.996 0.367 18514 1655 1 6 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.631 1.992 18514 1656 1 6 . 1 1 49 49 GLU H H 56 8.523 8.523 8.670 -0.147 18514 1657 1 6 . 1 1 50 50 ASP N N 57 121.579 121.579 123.946 -2.367 18514 1658 1 6 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.804 -0.135 18514 1659 1 6 . 1 1 50 50 ASP C C 57 173.845 173.845 175.080 -1.235 18514 1660 1 6 . 1 1 50 50 ASP CA C 57 54.291 54.291 53.486 0.805 18514 1661 1 6 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.884 -1.432 18514 1662 1 6 . 1 1 50 50 ASP H H 57 8.396 8.396 8.163 0.233 18514 1663 1 6 . 1 1 51 51 TYR N N 58 120.844 120.844 124.817 -3.973 18514 1664 1 6 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.628 -0.111 18514 1665 1 6 . 1 1 51 51 TYR C C 58 173.968 173.968 175.161 -1.193 18514 1666 1 6 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.167 -0.371 18514 1667 1 6 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.484 0.474 18514 1668 1 6 . 1 1 51 51 TYR H H 58 8.176 8.176 8.505 -0.329 18514 1669 1 7 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.792 -0.009 18514 1670 1 7 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.126 -0.319 18514 1671 1 7 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.500 -0.709 18514 1672 1 7 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.528 -0.125 18514 1673 1 7 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.496 0.238 18514 1674 1 7 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.688 -0.800 18514 1675 1 7 . 1 1 4 4 LYS N N 11 124.307 124.307 122.732 1.575 18514 1676 1 7 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.532 -0.017 18514 1677 1 7 . 1 1 4 4 LYS C C 11 173.272 173.272 174.765 -1.493 18514 1678 1 7 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.680 -0.399 18514 1679 1 7 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.031 -0.111 18514 1680 1 7 . 1 1 4 4 LYS H H 11 8.380 8.380 8.359 0.021 18514 1681 1 7 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.286 0.150 18514 1682 1 7 . 1 1 5 5 PRO C C 12 127.380 127.380 175.449 -48.069 18514 1683 1 7 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.270 -0.477 18514 1684 1 7 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.170 -0.088 18514 1685 1 7 . 1 1 6 6 LYS N N 13 118.851 118.851 119.779 -0.928 18514 1686 1 7 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.600 0.547 18514 1687 1 7 . 1 1 6 6 LYS C C 13 173.408 173.408 175.768 -2.360 18514 1688 1 7 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.343 0.114 18514 1689 1 7 . 1 1 6 6 LYS CB C 13 34.841 34.841 34.045 0.796 18514 1690 1 7 . 1 1 6 6 LYS H H 13 8.064 8.064 8.153 -0.089 18514 1691 1 7 . 1 1 7 7 CYS N N 14 127.385 127.385 118.438 8.947 18514 1692 1 7 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.850 0.378 18514 1693 1 7 . 1 1 7 7 CYS C C 14 173.408 173.408 174.356 -0.948 18514 1694 1 7 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.618 -0.026 18514 1695 1 7 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.770 3.091 18514 1696 1 7 . 1 1 7 7 CYS H H 14 9.943 9.943 8.089 1.854 18514 1697 1 7 . 1 1 8 8 ARG N N 15 117.940 117.940 120.001 -2.061 18514 1698 1 7 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.806 -0.460 18514 1699 1 7 . 1 1 8 8 ARG C C 15 175.808 175.808 176.026 -0.218 18514 1700 1 7 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.434 -1.063 18514 1701 1 7 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.337 0.394 18514 1702 1 7 . 1 1 8 8 ARG H H 15 8.835 8.835 8.658 0.177 18514 1703 1 7 . 1 1 9 9 CYS N N 16 122.323 122.323 116.976 5.347 18514 1704 1 7 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.228 -0.204 18514 1705 1 7 . 1 1 9 9 CYS C C 16 174.360 174.360 176.165 -1.805 18514 1706 1 7 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.421 -1.182 18514 1707 1 7 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.756 5.695 18514 1708 1 7 . 1 1 9 9 CYS H H 16 7.433 7.433 8.298 -0.865 18514 1709 1 7 . 1 1 10 10 GLY N N 17 108.065 108.065 112.393 -4.328 18514 1710 1 7 . 1 1 10 10 GLY C C 17 174.518 174.518 175.580 -1.062 18514 1711 1 7 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.456 -0.896 18514 1712 1 7 . 1 1 10 10 GLY H H 17 8.788 8.788 8.908 -0.120 18514 1713 1 7 . 1 1 11 11 ILE N N 18 118.990 118.990 121.885 -2.895 18514 1714 1 7 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.136 -0.159 18514 1715 1 7 . 1 1 11 11 ILE C C 18 173.820 173.820 176.618 -2.798 18514 1716 1 7 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.681 -0.091 18514 1717 1 7 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.515 0.209 18514 1718 1 7 . 1 1 11 11 ILE H H 18 7.557 7.557 7.482 0.075 18514 1719 1 7 . 1 1 12 12 SER N N 19 116.128 116.128 116.312 -0.184 18514 1720 1 7 . 1 1 12 12 SER HA H 19 4.510 4.510 4.332 0.178 18514 1721 1 7 . 1 1 12 12 SER C C 19 172.948 172.948 175.308 -2.360 18514 1722 1 7 . 1 1 12 12 SER CA C 19 58.200 58.200 60.113 -1.913 18514 1723 1 7 . 1 1 12 12 SER CB C 19 63.800 63.800 62.016 1.784 18514 1724 1 7 . 1 1 12 12 SER H H 19 8.418 8.418 7.801 0.617 18514 1725 1 7 . 1 1 13 13 GLY N N 20 110.984 110.984 114.202 -3.218 18514 1726 1 7 . 1 1 13 13 GLY C C 20 172.948 172.948 175.214 -2.266 18514 1727 1 7 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.389 0.009 18514 1728 1 7 . 1 1 13 13 GLY H H 20 8.243 8.243 8.470 -0.227 18514 1729 1 7 . 1 1 14 14 SER N N 21 114.951 114.951 115.319 -0.368 18514 1730 1 7 . 1 1 14 14 SER HA H 21 4.535 4.535 4.181 0.353 18514 1731 1 7 . 1 1 14 14 SER C C 21 175.376 175.376 174.711 0.665 18514 1732 1 7 . 1 1 14 14 SER CA C 21 57.930 57.930 60.223 -2.293 18514 1733 1 7 . 1 1 14 14 SER CB C 21 64.080 64.080 62.152 1.928 18514 1734 1 7 . 1 1 14 14 SER H H 21 8.250 8.250 7.924 0.326 18514 1735 1 7 . 1 1 15 15 SER N N 22 118.334 118.334 120.641 -2.307 18514 1736 1 7 . 1 1 15 15 SER HA H 22 4.449 4.449 4.476 -0.027 18514 1737 1 7 . 1 1 15 15 SER C C 22 174.863 174.863 174.298 0.565 18514 1738 1 7 . 1 1 15 15 SER CA C 22 57.767 57.767 58.232 -0.465 18514 1739 1 7 . 1 1 15 15 SER CB C 22 63.598 63.598 62.767 0.831 18514 1740 1 7 . 1 1 15 15 SER H H 22 8.427 8.427 8.111 0.316 18514 1741 1 7 . 1 1 16 16 ASN N N 23 120.784 120.784 125.401 -4.617 18514 1742 1 7 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.890 -0.080 18514 1743 1 7 . 1 1 16 16 ASN C C 23 175.364 175.364 175.680 -0.316 18514 1744 1 7 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.404 -0.230 18514 1745 1 7 . 1 1 16 16 ASN CB C 23 38.467 38.467 39.171 -0.704 18514 1746 1 7 . 1 1 16 16 ASN H H 23 8.453 8.453 8.122 0.331 18514 1747 1 7 . 1 1 17 17 THR N N 24 115.660 115.660 115.700 -0.040 18514 1748 1 7 . 1 1 17 17 THR HA H 24 4.346 4.346 4.040 0.306 18514 1749 1 7 . 1 1 17 17 THR C C 24 173.428 173.428 176.095 -2.667 18514 1750 1 7 . 1 1 17 17 THR CA C 24 62.126 62.126 65.919 -3.793 18514 1751 1 7 . 1 1 17 17 THR CB C 24 68.777 68.777 68.873 -0.096 18514 1752 1 7 . 1 1 17 17 THR H H 24 8.417 8.417 8.524 -0.107 18514 1753 1 7 . 1 1 18 18 LEU N N 25 121.190 121.190 116.210 4.980 18514 1754 1 7 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.392 -0.098 18514 1755 1 7 . 1 1 18 18 LEU C C 25 173.951 173.951 176.974 -3.023 18514 1756 1 7 . 1 1 18 18 LEU CA C 25 56.248 56.248 57.046 -0.798 18514 1757 1 7 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.630 0.677 18514 1758 1 7 . 1 1 18 18 LEU H H 25 8.218 8.218 8.108 0.110 18514 1759 1 7 . 1 1 19 19 THR N N 26 106.988 106.988 107.489 -0.501 18514 1760 1 7 . 1 1 19 19 THR HA H 26 4.230 4.230 4.690 -0.460 18514 1761 1 7 . 1 1 19 19 THR C C 26 171.429 171.429 175.426 -3.997 18514 1762 1 7 . 1 1 19 19 THR CA C 26 60.631 60.631 59.718 0.913 18514 1763 1 7 . 1 1 19 19 THR CB C 26 68.296 68.296 69.786 -1.490 18514 1764 1 7 . 1 1 19 19 THR H H 26 7.791 7.791 7.649 0.142 18514 1765 1 7 . 1 1 20 20 THR N N 27 121.441 121.441 117.143 4.298 18514 1766 1 7 . 1 1 20 20 THR HA H 27 3.976 3.976 4.090 -0.114 18514 1767 1 7 . 1 1 20 20 THR C C 27 175.121 175.121 175.356 -0.235 18514 1768 1 7 . 1 1 20 20 THR CA C 27 68.900 68.900 65.335 3.565 18514 1769 1 7 . 1 1 20 20 THR CB C 27 65.100 65.100 68.596 -3.496 18514 1770 1 7 . 1 1 20 20 THR H H 27 7.370 7.370 7.834 -0.464 18514 1771 1 7 . 1 1 21 21 CYS N N 28 121.174 121.174 116.973 4.201 18514 1772 1 7 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.558 -0.548 18514 1773 1 7 . 1 1 21 21 CYS C C 28 174.930 174.930 174.714 0.216 18514 1774 1 7 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.770 1.039 18514 1775 1 7 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.405 5.352 18514 1776 1 7 . 1 1 21 21 CYS H H 28 9.321 9.321 8.345 0.976 18514 1777 1 7 . 1 1 22 22 ARG N N 29 115.643 115.643 118.485 -2.842 18514 1778 1 7 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.534 -0.311 18514 1779 1 7 . 1 1 22 22 ARG C C 29 177.619 177.619 174.483 3.136 18514 1780 1 7 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.651 -2.821 18514 1781 1 7 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.048 2.220 18514 1782 1 7 . 1 1 22 22 ARG H H 29 7.880 7.880 7.395 0.485 18514 1783 1 7 . 1 1 23 23 ASN N N 30 113.854 113.854 115.253 -1.399 18514 1784 1 7 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.865 -0.279 18514 1785 1 7 . 1 1 23 23 ASN C C 30 174.972 174.972 175.450 -0.478 18514 1786 1 7 . 1 1 23 23 ASN CA C 30 51.476 51.476 52.038 -0.562 18514 1787 1 7 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.387 0.966 18514 1788 1 7 . 1 1 23 23 ASN H H 30 6.816 6.816 7.404 -0.588 18514 1789 1 7 . 1 1 24 24 SER N N 31 113.788 113.788 113.701 0.087 18514 1790 1 7 . 1 1 24 24 SER HA H 31 4.172 4.172 4.464 -0.292 18514 1791 1 7 . 1 1 24 24 SER C C 31 174.820 174.820 174.813 0.007 18514 1792 1 7 . 1 1 24 24 SER CA C 31 61.080 61.080 60.208 0.872 18514 1793 1 7 . 1 1 24 24 SER CB C 31 63.425 63.425 62.698 0.727 18514 1794 1 7 . 1 1 24 24 SER H H 31 8.873 8.873 8.821 0.052 18514 1795 1 7 . 1 1 25 25 ARG N N 32 119.696 119.696 118.592 1.104 18514 1796 1 7 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.461 -0.254 18514 1797 1 7 . 1 1 25 25 ARG C C 32 175.482 175.482 176.273 -0.791 18514 1798 1 7 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.308 1.710 18514 1799 1 7 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.426 -0.694 18514 1800 1 7 . 1 1 25 25 ARG H H 32 8.104 8.104 8.109 -0.005 18514 1801 1 7 . 1 1 26 26 CYS N N 33 123.061 123.061 122.324 0.737 18514 1802 1 7 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.977 -0.290 18514 1803 1 7 . 1 1 26 26 CYS C C 33 173.064 173.064 173.448 -0.384 18514 1804 1 7 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.745 -0.045 18514 1805 1 7 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.950 3.004 18514 1806 1 7 . 1 1 26 26 CYS H H 33 7.766 7.766 7.804 -0.038 18514 1807 1 7 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.489 -0.197 18514 1808 1 7 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.563 -0.297 18514 1809 1 7 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.050 1.108 18514 1810 1 7 . 1 1 28 28 CYS N N 35 129.050 129.050 115.946 13.104 18514 1811 1 7 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.397 -0.767 18514 1812 1 7 . 1 1 28 28 CYS C C 35 171.254 171.254 176.724 -5.470 18514 1813 1 7 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.112 0.473 18514 1814 1 7 . 1 1 28 28 CYS CB C 35 29.247 29.247 27.329 1.918 18514 1815 1 7 . 1 1 28 28 CYS H H 35 8.368 8.368 7.690 0.678 18514 1816 1 7 . 1 1 29 29 TYR N N 36 124.364 124.364 122.251 2.113 18514 1817 1 7 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.049 0.011 18514 1818 1 7 . 1 1 29 29 TYR C C 36 172.650 172.650 177.950 -5.300 18514 1819 1 7 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.407 0.714 18514 1820 1 7 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.267 -0.346 18514 1821 1 7 . 1 1 29 29 TYR H H 36 8.197 8.197 7.939 0.258 18514 1822 1 7 . 1 1 30 30 LYS N N 37 117.214 117.214 117.916 -0.702 18514 1823 1 7 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.766 0.013 18514 1824 1 7 . 1 1 30 30 LYS C C 37 172.650 172.650 177.146 -4.496 18514 1825 1 7 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.384 0.012 18514 1826 1 7 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.346 0.286 18514 1827 1 7 . 1 1 30 30 LYS H H 37 8.441 8.441 7.727 0.714 18514 1828 1 7 . 1 1 31 31 SER N N 38 109.671 109.671 113.219 -3.548 18514 1829 1 7 . 1 1 31 31 SER HA H 38 4.348 4.348 4.589 -0.241 18514 1830 1 7 . 1 1 31 31 SER C C 38 173.566 173.566 173.871 -0.305 18514 1831 1 7 . 1 1 31 31 SER CA C 38 56.469 56.469 57.767 -1.298 18514 1832 1 7 . 1 1 31 31 SER CB C 38 63.461 63.461 64.131 -0.670 18514 1833 1 7 . 1 1 31 31 SER H H 38 7.180 7.180 7.472 -0.292 18514 1834 1 7 . 1 1 32 32 TYR N N 39 116.096 116.096 115.664 0.432 18514 1835 1 7 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.866 -0.779 18514 1836 1 7 . 1 1 32 32 TYR C C 39 176.728 176.728 173.613 3.115 18514 1837 1 7 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.332 -0.716 18514 1838 1 7 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.250 -0.700 18514 1839 1 7 . 1 1 32 32 TYR H H 39 7.410 7.410 7.561 -0.151 18514 1840 1 7 . 1 1 33 33 ASN N N 40 116.549 116.549 117.369 -0.820 18514 1841 1 7 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.892 0.111 18514 1842 1 7 . 1 1 33 33 ASN C C 40 176.083 176.083 174.228 1.855 18514 1843 1 7 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.032 0.112 18514 1844 1 7 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.027 2.527 18514 1845 1 7 . 1 1 33 33 ASN H H 40 8.257 8.257 8.121 0.136 18514 1846 1 7 . 1 1 34 34 SER N N 41 115.071 115.071 112.842 2.229 18514 1847 1 7 . 1 1 34 34 SER HA H 41 4.477 4.477 4.851 -0.374 18514 1848 1 7 . 1 1 34 34 SER C C 41 174.850 174.850 175.044 -0.194 18514 1849 1 7 . 1 1 34 34 SER CA C 41 57.625 57.625 56.992 0.633 18514 1850 1 7 . 1 1 34 34 SER CB C 41 65.000 65.000 65.600 -0.600 18514 1851 1 7 . 1 1 34 34 SER H H 41 8.720 8.720 8.093 0.627 18514 1852 1 7 . 1 1 35 35 CYS N N 42 115.950 115.950 122.153 -6.203 18514 1853 1 7 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.697 0.983 18514 1854 1 7 . 1 1 35 35 CYS C C 42 174.850 174.850 174.930 -0.080 18514 1855 1 7 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.900 0.884 18514 1856 1 7 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.594 7.354 18514 1857 1 7 . 1 1 35 35 CYS H H 42 8.696 8.696 8.924 -0.228 18514 1858 1 7 . 1 1 36 36 ALA N N 43 124.417 124.417 126.766 -2.349 18514 1859 1 7 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.506 -0.289 18514 1860 1 7 . 1 1 36 36 ALA C C 43 173.572 173.572 177.062 -3.490 18514 1861 1 7 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.501 2.828 18514 1862 1 7 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.881 -1.046 18514 1863 1 7 . 1 1 36 36 ALA H H 43 8.002 8.002 7.715 0.287 18514 1864 1 7 . 1 1 37 37 GLY N N 44 113.524 113.524 111.573 1.951 18514 1865 1 7 . 1 1 37 37 GLY C C 44 170.263 170.263 174.067 -3.804 18514 1866 1 7 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.017 0.700 18514 1867 1 7 . 1 1 37 37 GLY H H 44 8.932 8.932 8.623 0.309 18514 1868 1 7 . 1 1 38 38 CYS N N 45 120.184 120.184 117.959 2.225 18514 1869 1 7 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.713 -0.637 18514 1870 1 7 . 1 1 38 38 CYS C C 45 170.263 170.263 175.011 -4.748 18514 1871 1 7 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.085 3.801 18514 1872 1 7 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.810 4.812 18514 1873 1 7 . 1 1 38 38 CYS H H 45 7.641 7.641 7.764 -0.123 18514 1874 1 7 . 1 1 39 39 HIS N N 46 118.156 118.156 121.139 -2.983 18514 1875 1 7 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.756 0.294 18514 1876 1 7 . 1 1 39 39 HIS C C 46 174.223 174.223 174.513 -0.290 18514 1877 1 7 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.903 -1.414 18514 1878 1 7 . 1 1 39 39 HIS CB C 46 29.688 29.688 30.336 -0.648 18514 1879 1 7 . 1 1 39 39 HIS H H 46 8.234 8.234 8.970 -0.736 18514 1880 1 7 . 1 1 40 40 CYS N N 47 118.354 118.354 116.284 2.070 18514 1881 1 7 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.894 -0.072 18514 1882 1 7 . 1 1 40 40 CYS C C 47 176.296 176.296 174.069 2.227 18514 1883 1 7 . 1 1 40 40 CYS CA C 47 55.596 55.596 55.895 -0.299 18514 1884 1 7 . 1 1 40 40 CYS CB C 47 33.238 33.238 29.263 3.975 18514 1885 1 7 . 1 1 40 40 CYS H H 47 7.403 7.403 7.604 -0.201 18514 1886 1 7 . 1 1 41 41 VAL N N 48 118.968 118.968 122.298 -3.330 18514 1887 1 7 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.240 -0.009 18514 1888 1 7 . 1 1 41 41 VAL C C 48 174.265 174.265 176.175 -1.910 18514 1889 1 7 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.477 -0.246 18514 1890 1 7 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.642 1.056 18514 1891 1 7 . 1 1 41 41 VAL H H 48 8.205 8.205 8.960 -0.755 18514 1892 1 7 . 1 1 42 42 GLY N N 49 115.726 115.726 114.904 0.822 18514 1893 1 7 . 1 1 42 42 GLY C C 49 174.223 174.223 173.948 0.275 18514 1894 1 7 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.096 1.017 18514 1895 1 7 . 1 1 42 42 GLY H H 49 8.634 8.634 8.777 -0.143 18514 1896 1 7 . 1 1 43 43 CYS N N 50 119.917 119.917 116.960 2.957 18514 1897 1 7 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.943 -1.786 18514 1898 1 7 . 1 1 43 43 CYS C C 50 173.428 173.428 175.574 -2.146 18514 1899 1 7 . 1 1 43 43 CYS CA C 50 63.346 63.346 55.903 7.443 18514 1900 1 7 . 1 1 43 43 CYS CB C 50 33.126 33.126 28.935 4.191 18514 1901 1 7 . 1 1 43 43 CYS H H 50 7.670 7.670 7.892 -0.222 18514 1902 1 7 . 1 1 44 44 LYS N N 51 128.057 128.057 126.667 1.390 18514 1903 1 7 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.357 0.241 18514 1904 1 7 . 1 1 44 44 LYS C C 51 171.776 171.776 175.023 -3.247 18514 1905 1 7 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.613 -0.577 18514 1906 1 7 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.415 0.310 18514 1907 1 7 . 1 1 44 44 LYS H H 51 7.934 7.934 8.397 -0.463 18514 1908 1 7 . 1 1 45 45 ASN N N 52 125.259 125.259 122.854 2.405 18514 1909 1 7 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.065 -0.298 18514 1910 1 7 . 1 1 45 45 ASN C C 52 171.776 171.776 174.135 -2.359 18514 1911 1 7 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.030 2.220 18514 1912 1 7 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.137 -0.617 18514 1913 1 7 . 1 1 45 45 ASN H H 52 9.076 9.076 8.039 1.037 18514 1914 1 7 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.312 0.151 18514 1915 1 7 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.230 -1.099 18514 1916 1 7 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.136 0.195 18514 1917 1 7 . 1 1 47 47 HIS N N 54 121.186 121.186 118.329 2.857 18514 1918 1 7 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.669 -0.155 18514 1919 1 7 . 1 1 47 47 HIS C C 54 172.204 172.204 174.416 -2.212 18514 1920 1 7 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.531 0.773 18514 1921 1 7 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.412 -0.504 18514 1922 1 7 . 1 1 47 47 HIS H H 54 8.236 8.236 8.892 -0.656 18514 1923 1 7 . 1 1 48 48 LYS N N 55 123.556 123.556 125.966 -2.410 18514 1924 1 7 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.498 -0.037 18514 1925 1 7 . 1 1 48 48 LYS C C 55 175.066 175.066 175.626 -0.560 18514 1926 1 7 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.897 0.423 18514 1927 1 7 . 1 1 48 48 LYS CB C 55 34.106 34.106 32.316 1.790 18514 1928 1 7 . 1 1 48 48 LYS H H 55 8.470 8.470 7.751 0.719 18514 1929 1 7 . 1 1 49 49 GLU N N 56 121.100 121.100 124.430 -3.330 18514 1930 1 7 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.182 0.169 18514 1931 1 7 . 1 1 49 49 GLU C C 56 173.210 173.210 175.829 -2.619 18514 1932 1 7 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.688 -0.325 18514 1933 1 7 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.928 1.695 18514 1934 1 7 . 1 1 49 49 GLU H H 56 8.523 8.523 8.399 0.124 18514 1935 1 7 . 1 1 50 50 ASP N N 57 121.579 121.579 123.873 -2.294 18514 1936 1 7 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.590 0.079 18514 1937 1 7 . 1 1 50 50 ASP C C 57 173.845 173.845 176.298 -2.453 18514 1938 1 7 . 1 1 50 50 ASP CA C 57 54.291 54.291 51.697 2.594 18514 1939 1 7 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.924 -1.472 18514 1940 1 7 . 1 1 50 50 ASP H H 57 8.396 8.396 7.930 0.466 18514 1941 1 7 . 1 1 51 51 TYR N N 58 120.844 120.844 121.398 -0.554 18514 1942 1 7 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.607 -0.090 18514 1943 1 7 . 1 1 51 51 TYR C C 58 173.968 173.968 175.911 -1.943 18514 1944 1 7 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.222 -0.426 18514 1945 1 7 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.829 1.129 18514 1946 1 7 . 1 1 51 51 TYR H H 58 8.176 8.176 8.407 -0.231 18514 1947 1 8 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.705 0.078 18514 1948 1 8 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.232 -0.425 18514 1949 1 8 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.459 -0.668 18514 1950 1 8 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.429 -0.026 18514 1951 1 8 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.232 -0.498 18514 1952 1 8 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.153 -0.265 18514 1953 1 8 . 1 1 4 4 LYS N N 11 124.307 124.307 122.656 1.651 18514 1954 1 8 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.819 -0.304 18514 1955 1 8 . 1 1 4 4 LYS C C 11 173.272 173.272 173.938 -0.666 18514 1956 1 8 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.330 0.951 18514 1957 1 8 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.121 -1.201 18514 1958 1 8 . 1 1 4 4 LYS H H 11 8.380 8.380 8.227 0.153 18514 1959 1 8 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.322 0.114 18514 1960 1 8 . 1 1 5 5 PRO C C 12 127.380 127.380 175.529 -48.149 18514 1961 1 8 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.428 -0.635 18514 1962 1 8 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.052 0.030 18514 1963 1 8 . 1 1 6 6 LYS N N 13 118.851 118.851 120.832 -1.981 18514 1964 1 8 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.538 0.609 18514 1965 1 8 . 1 1 6 6 LYS C C 13 173.408 173.408 175.624 -2.216 18514 1966 1 8 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.888 -0.431 18514 1967 1 8 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.642 -0.801 18514 1968 1 8 . 1 1 6 6 LYS H H 13 8.064 8.064 8.309 -0.245 18514 1969 1 8 . 1 1 7 7 CYS N N 14 127.385 127.385 117.822 9.563 18514 1970 1 8 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.983 0.245 18514 1971 1 8 . 1 1 7 7 CYS C C 14 173.408 173.408 173.738 -0.330 18514 1972 1 8 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.323 0.269 18514 1973 1 8 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.658 3.203 18514 1974 1 8 . 1 1 7 7 CYS H H 14 9.943 9.943 8.416 1.527 18514 1975 1 8 . 1 1 8 8 ARG N N 15 117.940 117.940 118.315 -0.375 18514 1976 1 8 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.763 -0.417 18514 1977 1 8 . 1 1 8 8 ARG C C 15 175.808 175.808 175.979 -0.171 18514 1978 1 8 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.379 -1.008 18514 1979 1 8 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.712 0.019 18514 1980 1 8 . 1 1 8 8 ARG H H 15 8.835 8.835 8.672 0.163 18514 1981 1 8 . 1 1 9 9 CYS N N 16 122.323 122.323 119.048 3.275 18514 1982 1 8 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.370 -0.346 18514 1983 1 8 . 1 1 9 9 CYS C C 16 174.360 174.360 175.872 -1.512 18514 1984 1 8 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.859 -0.621 18514 1985 1 8 . 1 1 9 9 CYS CB C 16 32.451 32.451 24.821 7.630 18514 1986 1 8 . 1 1 9 9 CYS H H 16 7.433 7.433 8.506 -1.073 18514 1987 1 8 . 1 1 10 10 GLY N N 17 108.065 108.065 115.058 -6.993 18514 1988 1 8 . 1 1 10 10 GLY C C 17 174.518 174.518 175.575 -1.057 18514 1989 1 8 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.588 -0.028 18514 1990 1 8 . 1 1 10 10 GLY H H 17 8.788 8.788 8.457 0.331 18514 1991 1 8 . 1 1 11 11 ILE N N 18 118.990 118.990 122.069 -3.079 18514 1992 1 8 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.109 -0.132 18514 1993 1 8 . 1 1 11 11 ILE C C 18 173.820 173.820 176.445 -2.625 18514 1994 1 8 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.356 0.234 18514 1995 1 8 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.088 0.636 18514 1996 1 8 . 1 1 11 11 ILE H H 18 7.557 7.557 8.399 -0.842 18514 1997 1 8 . 1 1 12 12 SER N N 19 116.128 116.128 111.959 4.169 18514 1998 1 8 . 1 1 12 12 SER HA H 19 4.510 4.510 4.640 -0.130 18514 1999 1 8 . 1 1 12 12 SER C C 19 172.948 172.948 174.122 -1.174 18514 2000 1 8 . 1 1 12 12 SER CA C 19 58.200 58.200 57.850 0.350 18514 2001 1 8 . 1 1 12 12 SER CB C 19 63.800 63.800 65.676 -1.876 18514 2002 1 8 . 1 1 12 12 SER H H 19 8.418 8.418 7.656 0.762 18514 2003 1 8 . 1 1 13 13 GLY N N 20 110.984 110.984 110.546 0.438 18514 2004 1 8 . 1 1 13 13 GLY C C 20 172.948 172.948 174.272 -1.324 18514 2005 1 8 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.201 0.197 18514 2006 1 8 . 1 1 13 13 GLY H H 20 8.243 8.243 8.629 -0.386 18514 2007 1 8 . 1 1 14 14 SER N N 21 114.951 114.951 117.251 -2.300 18514 2008 1 8 . 1 1 14 14 SER HA H 21 4.535 4.535 4.369 0.166 18514 2009 1 8 . 1 1 14 14 SER C C 21 175.376 175.376 173.944 1.432 18514 2010 1 8 . 1 1 14 14 SER CA C 21 57.930 57.930 58.270 -0.340 18514 2011 1 8 . 1 1 14 14 SER CB C 21 64.080 64.080 63.722 0.358 18514 2012 1 8 . 1 1 14 14 SER H H 21 8.250 8.250 8.078 0.172 18514 2013 1 8 . 1 1 15 15 SER N N 22 118.334 118.334 122.246 -3.912 18514 2014 1 8 . 1 1 15 15 SER HA H 22 4.449 4.449 4.638 -0.189 18514 2015 1 8 . 1 1 15 15 SER C C 22 174.863 174.863 173.087 1.776 18514 2016 1 8 . 1 1 15 15 SER CA C 22 57.767 57.767 56.933 0.834 18514 2017 1 8 . 1 1 15 15 SER CB C 22 63.598 63.598 63.874 -0.276 18514 2018 1 8 . 1 1 15 15 SER H H 22 8.427 8.427 8.547 -0.120 18514 2019 1 8 . 1 1 16 16 ASN N N 23 120.784 120.784 122.717 -1.933 18514 2020 1 8 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.442 0.368 18514 2021 1 8 . 1 1 16 16 ASN C C 23 175.364 175.364 174.631 0.733 18514 2022 1 8 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.979 -0.805 18514 2023 1 8 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.134 0.333 18514 2024 1 8 . 1 1 16 16 ASN H H 23 8.453 8.453 8.896 -0.443 18514 2025 1 8 . 1 1 17 17 THR N N 24 115.660 115.660 113.937 1.723 18514 2026 1 8 . 1 1 17 17 THR HA H 24 4.346 4.346 4.393 -0.047 18514 2027 1 8 . 1 1 17 17 THR C C 24 173.428 173.428 175.597 -2.169 18514 2028 1 8 . 1 1 17 17 THR CA C 24 62.126 62.126 63.824 -1.698 18514 2029 1 8 . 1 1 17 17 THR CB C 24 68.777 68.777 69.416 -0.639 18514 2030 1 8 . 1 1 17 17 THR H H 24 8.417 8.417 8.447 -0.030 18514 2031 1 8 . 1 1 18 18 LEU N N 25 121.190 121.190 119.655 1.535 18514 2032 1 8 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.517 -0.223 18514 2033 1 8 . 1 1 18 18 LEU C C 25 173.951 173.951 176.896 -2.945 18514 2034 1 8 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.502 -0.254 18514 2035 1 8 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.084 0.223 18514 2036 1 8 . 1 1 18 18 LEU H H 25 8.218 8.218 7.765 0.453 18514 2037 1 8 . 1 1 19 19 THR N N 26 106.988 106.988 113.911 -6.923 18514 2038 1 8 . 1 1 19 19 THR HA H 26 4.230 4.230 4.275 -0.045 18514 2039 1 8 . 1 1 19 19 THR C C 26 171.429 171.429 175.365 -3.936 18514 2040 1 8 . 1 1 19 19 THR CA C 26 60.631 60.631 62.940 -2.309 18514 2041 1 8 . 1 1 19 19 THR CB C 26 68.296 68.296 68.547 -0.252 18514 2042 1 8 . 1 1 19 19 THR H H 26 7.791 7.791 7.750 0.041 18514 2043 1 8 . 1 1 20 20 THR N N 27 121.441 121.441 118.666 2.775 18514 2044 1 8 . 1 1 20 20 THR HA H 27 3.976 3.976 4.345 -0.369 18514 2045 1 8 . 1 1 20 20 THR C C 27 175.121 175.121 176.201 -1.080 18514 2046 1 8 . 1 1 20 20 THR CA C 27 68.900 68.900 65.701 3.199 18514 2047 1 8 . 1 1 20 20 THR CB C 27 65.100 65.100 68.828 -3.728 18514 2048 1 8 . 1 1 20 20 THR H H 27 7.370 7.370 8.073 -0.703 18514 2049 1 8 . 1 1 21 21 CYS N N 28 121.174 121.174 116.521 4.653 18514 2050 1 8 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.551 -0.541 18514 2051 1 8 . 1 1 21 21 CYS C C 28 174.930 174.930 175.683 -0.753 18514 2052 1 8 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.233 0.576 18514 2053 1 8 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.948 5.809 18514 2054 1 8 . 1 1 21 21 CYS H H 28 9.321 9.321 8.554 0.767 18514 2055 1 8 . 1 1 22 22 ARG N N 29 115.643 115.643 118.399 -2.756 18514 2056 1 8 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.081 -0.858 18514 2057 1 8 . 1 1 22 22 ARG C C 29 177.619 177.619 174.406 3.213 18514 2058 1 8 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.593 -3.763 18514 2059 1 8 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.358 0.910 18514 2060 1 8 . 1 1 22 22 ARG H H 29 7.880 7.880 8.153 -0.273 18514 2061 1 8 . 1 1 23 23 ASN N N 30 113.854 113.854 115.163 -1.309 18514 2062 1 8 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.426 0.160 18514 2063 1 8 . 1 1 23 23 ASN C C 30 174.972 174.972 176.171 -1.199 18514 2064 1 8 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.559 -0.083 18514 2065 1 8 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.709 0.645 18514 2066 1 8 . 1 1 23 23 ASN H H 30 6.816 6.816 7.309 -0.493 18514 2067 1 8 . 1 1 24 24 SER N N 31 113.788 113.788 115.258 -1.470 18514 2068 1 8 . 1 1 24 24 SER HA H 31 4.172 4.172 4.469 -0.297 18514 2069 1 8 . 1 1 24 24 SER C C 31 174.820 174.820 174.946 -0.126 18514 2070 1 8 . 1 1 24 24 SER CA C 31 61.080 61.080 60.688 0.392 18514 2071 1 8 . 1 1 24 24 SER CB C 31 63.425 63.425 62.615 0.810 18514 2072 1 8 . 1 1 24 24 SER H H 31 8.873 8.873 8.736 0.137 18514 2073 1 8 . 1 1 25 25 ARG N N 32 119.696 119.696 118.453 1.243 18514 2074 1 8 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.400 -0.193 18514 2075 1 8 . 1 1 25 25 ARG C C 32 175.482 175.482 176.287 -0.805 18514 2076 1 8 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.079 0.939 18514 2077 1 8 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.723 -0.991 18514 2078 1 8 . 1 1 25 25 ARG H H 32 8.104 8.104 8.037 0.067 18514 2079 1 8 . 1 1 26 26 CYS N N 33 123.061 123.061 122.005 1.056 18514 2080 1 8 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.020 -0.333 18514 2081 1 8 . 1 1 26 26 CYS C C 33 173.064 173.064 174.046 -0.982 18514 2082 1 8 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.929 -0.229 18514 2083 1 8 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.824 3.130 18514 2084 1 8 . 1 1 26 26 CYS H H 33 7.766 7.766 7.837 -0.071 18514 2085 1 8 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.282 0.010 18514 2086 1 8 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.262 -0.996 18514 2087 1 8 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.709 0.450 18514 2088 1 8 . 1 1 28 28 CYS N N 35 129.050 129.050 116.059 12.991 18514 2089 1 8 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.219 -0.589 18514 2090 1 8 . 1 1 28 28 CYS C C 35 171.254 171.254 176.753 -5.499 18514 2091 1 8 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.335 -0.750 18514 2092 1 8 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.915 3.332 18514 2093 1 8 . 1 1 28 28 CYS H H 35 8.368 8.368 8.029 0.339 18514 2094 1 8 . 1 1 29 29 TYR N N 36 124.364 124.364 121.437 2.927 18514 2095 1 8 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.082 -0.022 18514 2096 1 8 . 1 1 29 29 TYR C C 36 172.650 172.650 178.023 -5.373 18514 2097 1 8 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.617 0.504 18514 2098 1 8 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.261 -0.340 18514 2099 1 8 . 1 1 29 29 TYR H H 36 8.197 8.197 8.010 0.187 18514 2100 1 8 . 1 1 30 30 LYS N N 37 117.214 117.214 119.097 -1.883 18514 2101 1 8 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.845 -0.066 18514 2102 1 8 . 1 1 30 30 LYS C C 37 172.650 172.650 177.843 -5.193 18514 2103 1 8 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.166 0.230 18514 2104 1 8 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.110 0.522 18514 2105 1 8 . 1 1 30 30 LYS H H 37 8.441 8.441 7.658 0.783 18514 2106 1 8 . 1 1 31 31 SER N N 38 109.671 109.671 112.885 -3.214 18514 2107 1 8 . 1 1 31 31 SER HA H 38 4.348 4.348 4.398 -0.050 18514 2108 1 8 . 1 1 31 31 SER C C 38 173.566 173.566 173.863 -0.297 18514 2109 1 8 . 1 1 31 31 SER CA C 38 56.469 56.469 58.739 -2.270 18514 2110 1 8 . 1 1 31 31 SER CB C 38 63.461 63.461 63.703 -0.242 18514 2111 1 8 . 1 1 31 31 SER H H 38 7.180 7.180 7.524 -0.344 18514 2112 1 8 . 1 1 32 32 TYR N N 39 116.096 116.096 114.896 1.200 18514 2113 1 8 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.274 -0.187 18514 2114 1 8 . 1 1 32 32 TYR C C 39 176.728 176.728 174.125 2.603 18514 2115 1 8 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.550 -0.934 18514 2116 1 8 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.822 -0.272 18514 2117 1 8 . 1 1 32 32 TYR H H 39 7.410 7.410 7.298 0.112 18514 2118 1 8 . 1 1 33 33 ASN N N 40 116.549 116.549 117.218 -0.669 18514 2119 1 8 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.172 -0.169 18514 2120 1 8 . 1 1 33 33 ASN C C 40 176.083 176.083 174.279 1.804 18514 2121 1 8 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.778 -0.634 18514 2122 1 8 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.134 2.420 18514 2123 1 8 . 1 1 33 33 ASN H H 40 8.257 8.257 7.891 0.366 18514 2124 1 8 . 1 1 34 34 SER N N 41 115.071 115.071 115.094 -0.023 18514 2125 1 8 . 1 1 34 34 SER HA H 41 4.477 4.477 4.893 -0.416 18514 2126 1 8 . 1 1 34 34 SER C C 41 174.850 174.850 175.033 -0.183 18514 2127 1 8 . 1 1 34 34 SER CA C 41 57.625 57.625 56.682 0.943 18514 2128 1 8 . 1 1 34 34 SER CB C 41 65.000 65.000 65.228 -0.228 18514 2129 1 8 . 1 1 34 34 SER H H 41 8.720 8.720 9.396 -0.676 18514 2130 1 8 . 1 1 35 35 CYS N N 42 115.950 115.950 121.700 -5.750 18514 2131 1 8 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.642 1.038 18514 2132 1 8 . 1 1 35 35 CYS C C 42 174.850 174.850 174.593 0.257 18514 2133 1 8 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.841 0.943 18514 2134 1 8 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.729 7.219 18514 2135 1 8 . 1 1 35 35 CYS H H 42 8.696 8.696 8.996 -0.300 18514 2136 1 8 . 1 1 36 36 ALA N N 43 124.417 124.417 126.596 -2.179 18514 2137 1 8 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.516 -0.299 18514 2138 1 8 . 1 1 36 36 ALA C C 43 173.572 173.572 177.048 -3.476 18514 2139 1 8 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.484 2.845 18514 2140 1 8 . 1 1 36 36 ALA CB C 43 17.835 17.835 19.429 -1.594 18514 2141 1 8 . 1 1 36 36 ALA H H 43 8.002 8.002 7.735 0.267 18514 2142 1 8 . 1 1 37 37 GLY N N 44 113.524 113.524 111.653 1.871 18514 2143 1 8 . 1 1 37 37 GLY C C 44 170.263 170.263 174.259 -3.996 18514 2144 1 8 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.836 0.881 18514 2145 1 8 . 1 1 37 37 GLY H H 44 8.932 8.932 8.650 0.282 18514 2146 1 8 . 1 1 38 38 CYS N N 45 120.184 120.184 118.140 2.044 18514 2147 1 8 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.513 -0.437 18514 2148 1 8 . 1 1 38 38 CYS C C 45 170.263 170.263 174.609 -4.346 18514 2149 1 8 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.779 4.106 18514 2150 1 8 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.774 3.848 18514 2151 1 8 . 1 1 38 38 CYS H H 45 7.641 7.641 7.840 -0.199 18514 2152 1 8 . 1 1 39 39 HIS N N 46 118.156 118.156 119.627 -1.471 18514 2153 1 8 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.828 0.222 18514 2154 1 8 . 1 1 39 39 HIS C C 46 174.223 174.223 174.373 -0.150 18514 2155 1 8 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.883 -1.393 18514 2156 1 8 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.590 0.098 18514 2157 1 8 . 1 1 39 39 HIS H H 46 8.234 8.234 9.024 -0.790 18514 2158 1 8 . 1 1 40 40 CYS N N 47 118.354 118.354 116.886 1.468 18514 2159 1 8 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.660 0.162 18514 2160 1 8 . 1 1 40 40 CYS C C 47 176.296 176.296 173.563 2.733 18514 2161 1 8 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.927 -1.331 18514 2162 1 8 . 1 1 40 40 CYS CB C 47 33.238 33.238 29.004 4.234 18514 2163 1 8 . 1 1 40 40 CYS H H 47 7.403 7.403 7.801 -0.398 18514 2164 1 8 . 1 1 41 41 VAL N N 48 118.968 118.968 122.065 -3.097 18514 2165 1 8 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.252 -0.021 18514 2166 1 8 . 1 1 41 41 VAL C C 48 174.265 174.265 176.132 -1.867 18514 2167 1 8 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.590 -0.359 18514 2168 1 8 . 1 1 41 41 VAL CB C 48 34.698 34.698 34.403 0.295 18514 2169 1 8 . 1 1 41 41 VAL H H 48 8.205 8.205 8.886 -0.681 18514 2170 1 8 . 1 1 42 42 GLY N N 49 115.726 115.726 114.370 1.356 18514 2171 1 8 . 1 1 42 42 GLY C C 49 174.223 174.223 173.818 0.405 18514 2172 1 8 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.164 0.949 18514 2173 1 8 . 1 1 42 42 GLY H H 49 8.634 8.634 8.577 0.057 18514 2174 1 8 . 1 1 43 43 CYS N N 50 119.917 119.917 120.055 -0.138 18514 2175 1 8 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.530 -1.373 18514 2176 1 8 . 1 1 43 43 CYS C C 50 173.428 173.428 174.589 -1.161 18514 2177 1 8 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.611 5.735 18514 2178 1 8 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.543 6.583 18514 2179 1 8 . 1 1 43 43 CYS H H 50 7.670 7.670 8.301 -0.631 18514 2180 1 8 . 1 1 44 44 LYS N N 51 128.057 128.057 130.051 -1.994 18514 2181 1 8 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.379 0.219 18514 2182 1 8 . 1 1 44 44 LYS C C 51 171.776 171.776 174.726 -2.950 18514 2183 1 8 . 1 1 44 44 LYS CA C 51 54.036 54.036 55.118 -1.082 18514 2184 1 8 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.934 -1.209 18514 2185 1 8 . 1 1 44 44 LYS H H 51 7.934 7.934 8.288 -0.354 18514 2186 1 8 . 1 1 45 45 ASN N N 52 125.259 125.259 123.437 1.822 18514 2187 1 8 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.101 -0.334 18514 2188 1 8 . 1 1 45 45 ASN C C 52 171.776 171.776 174.231 -2.455 18514 2189 1 8 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.941 2.309 18514 2190 1 8 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.505 -0.985 18514 2191 1 8 . 1 1 45 45 ASN H H 52 9.076 9.076 8.495 0.581 18514 2192 1 8 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.287 0.176 18514 2193 1 8 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.867 -0.736 18514 2194 1 8 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.911 0.420 18514 2195 1 8 . 1 1 47 47 HIS N N 54 121.186 121.186 119.095 2.091 18514 2196 1 8 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.722 -0.208 18514 2197 1 8 . 1 1 47 47 HIS C C 54 172.204 172.204 174.366 -2.162 18514 2198 1 8 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.859 0.445 18514 2199 1 8 . 1 1 47 47 HIS CB C 54 27.908 27.908 30.993 -3.085 18514 2200 1 8 . 1 1 47 47 HIS H H 54 8.236 8.236 8.714 -0.478 18514 2201 1 8 . 1 1 48 48 LYS N N 55 123.556 123.556 123.480 0.076 18514 2202 1 8 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.518 -0.057 18514 2203 1 8 . 1 1 48 48 LYS C C 55 175.066 175.066 175.667 -0.601 18514 2204 1 8 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.398 -0.078 18514 2205 1 8 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.620 -0.514 18514 2206 1 8 . 1 1 48 48 LYS H H 55 8.470 8.470 8.736 -0.266 18514 2207 1 8 . 1 1 49 49 GLU N N 56 121.100 121.100 125.994 -4.894 18514 2208 1 8 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.403 -0.052 18514 2209 1 8 . 1 1 49 49 GLU C C 56 173.210 173.210 175.530 -2.320 18514 2210 1 8 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.195 0.168 18514 2211 1 8 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.698 0.925 18514 2212 1 8 . 1 1 49 49 GLU H H 56 8.523 8.523 8.592 -0.069 18514 2213 1 8 . 1 1 50 50 ASP N N 57 121.579 121.579 125.495 -3.916 18514 2214 1 8 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.565 0.104 18514 2215 1 8 . 1 1 50 50 ASP C C 57 173.845 173.845 175.330 -1.485 18514 2216 1 8 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.475 -0.184 18514 2217 1 8 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.667 0.785 18514 2218 1 8 . 1 1 50 50 ASP H H 57 8.396 8.396 8.237 0.159 18514 2219 1 8 . 1 1 51 51 TYR N N 58 120.844 120.844 125.689 -4.845 18514 2220 1 8 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.692 -0.175 18514 2221 1 8 . 1 1 51 51 TYR C C 58 173.968 173.968 174.774 -0.806 18514 2222 1 8 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.949 -0.153 18514 2223 1 8 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.907 0.051 18514 2224 1 8 . 1 1 51 51 TYR H H 58 8.176 8.176 8.116 0.060 18514 2225 1 9 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.847 -0.064 18514 2226 1 9 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.367 -0.560 18514 2227 1 9 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.230 -0.439 18514 2228 1 9 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.864 -0.461 18514 2229 1 9 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.237 0.497 18514 2230 1 9 . 1 1 3 3 PRO CB C 10 31.888 31.888 33.846 -1.958 18514 2231 1 9 . 1 1 4 4 LYS N N 11 124.307 124.307 120.274 4.033 18514 2232 1 9 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.644 -0.129 18514 2233 1 9 . 1 1 4 4 LYS C C 11 173.272 173.272 174.093 -0.821 18514 2234 1 9 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.925 0.356 18514 2235 1 9 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.326 -1.406 18514 2236 1 9 . 1 1 4 4 LYS H H 11 8.380 8.380 8.249 0.131 18514 2237 1 9 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.420 0.016 18514 2238 1 9 . 1 1 5 5 PRO C C 12 127.380 127.380 175.742 -48.362 18514 2239 1 9 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.853 -0.060 18514 2240 1 9 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.304 -0.222 18514 2241 1 9 . 1 1 6 6 LYS N N 13 118.851 118.851 120.203 -1.352 18514 2242 1 9 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.604 0.543 18514 2243 1 9 . 1 1 6 6 LYS C C 13 173.408 173.408 176.117 -2.709 18514 2244 1 9 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.558 -0.101 18514 2245 1 9 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.543 -0.702 18514 2246 1 9 . 1 1 6 6 LYS H H 13 8.064 8.064 8.193 -0.129 18514 2247 1 9 . 1 1 7 7 CYS N N 14 127.385 127.385 118.381 9.004 18514 2248 1 9 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.918 0.310 18514 2249 1 9 . 1 1 7 7 CYS C C 14 173.408 173.408 173.850 -0.442 18514 2250 1 9 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.635 -0.042 18514 2251 1 9 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.822 4.039 18514 2252 1 9 . 1 1 7 7 CYS H H 14 9.943 9.943 8.139 1.804 18514 2253 1 9 . 1 1 8 8 ARG N N 15 117.940 117.940 119.212 -1.272 18514 2254 1 9 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.728 -0.382 18514 2255 1 9 . 1 1 8 8 ARG C C 15 175.808 175.808 176.110 -0.302 18514 2256 1 9 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.115 -0.744 18514 2257 1 9 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.970 0.761 18514 2258 1 9 . 1 1 8 8 ARG H H 15 8.835 8.835 8.639 0.196 18514 2259 1 9 . 1 1 9 9 CYS N N 16 122.323 122.323 119.002 3.321 18514 2260 1 9 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.931 -0.907 18514 2261 1 9 . 1 1 9 9 CYS C C 16 174.360 174.360 176.356 -1.996 18514 2262 1 9 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.345 -0.106 18514 2263 1 9 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.192 7.259 18514 2264 1 9 . 1 1 9 9 CYS H H 16 7.433 7.433 8.391 -0.958 18514 2265 1 9 . 1 1 10 10 GLY N N 17 108.065 108.065 116.624 -8.559 18514 2266 1 9 . 1 1 10 10 GLY C C 17 174.518 174.518 174.911 -0.393 18514 2267 1 9 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.625 -0.065 18514 2268 1 9 . 1 1 10 10 GLY H H 17 8.788 8.788 9.160 -0.372 18514 2269 1 9 . 1 1 11 11 ILE N N 18 118.990 118.990 120.960 -1.970 18514 2270 1 9 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.086 -0.109 18514 2271 1 9 . 1 1 11 11 ILE C C 18 173.820 173.820 176.326 -2.506 18514 2272 1 9 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.406 0.184 18514 2273 1 9 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.713 0.011 18514 2274 1 9 . 1 1 11 11 ILE H H 18 7.557 7.557 8.051 -0.494 18514 2275 1 9 . 1 1 12 12 SER N N 19 116.128 116.128 113.023 3.105 18514 2276 1 9 . 1 1 12 12 SER HA H 19 4.510 4.510 4.756 -0.246 18514 2277 1 9 . 1 1 12 12 SER C C 19 172.948 172.948 173.874 -0.926 18514 2278 1 9 . 1 1 12 12 SER CA C 19 58.200 58.200 57.515 0.685 18514 2279 1 9 . 1 1 12 12 SER CB C 19 63.800 63.800 66.413 -2.613 18514 2280 1 9 . 1 1 12 12 SER H H 19 8.418 8.418 8.373 0.045 18514 2281 1 9 . 1 1 13 13 GLY N N 20 110.984 110.984 108.548 2.436 18514 2282 1 9 . 1 1 13 13 GLY C C 20 172.948 172.948 173.939 -0.991 18514 2283 1 9 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.918 0.480 18514 2284 1 9 . 1 1 13 13 GLY H H 20 8.243 8.243 8.511 -0.268 18514 2285 1 9 . 1 1 14 14 SER N N 21 114.951 114.951 116.473 -1.522 18514 2286 1 9 . 1 1 14 14 SER HA H 21 4.535 4.535 4.535 0.000 18514 2287 1 9 . 1 1 14 14 SER C C 21 175.376 175.376 174.105 1.271 18514 2288 1 9 . 1 1 14 14 SER CA C 21 57.930 57.930 58.894 -0.964 18514 2289 1 9 . 1 1 14 14 SER CB C 21 64.080 64.080 63.106 0.974 18514 2290 1 9 . 1 1 14 14 SER H H 21 8.250 8.250 8.307 -0.057 18514 2291 1 9 . 1 1 15 15 SER N N 22 118.334 118.334 118.950 -0.616 18514 2292 1 9 . 1 1 15 15 SER HA H 22 4.449 4.449 4.599 -0.150 18514 2293 1 9 . 1 1 15 15 SER C C 22 174.863 174.863 173.628 1.235 18514 2294 1 9 . 1 1 15 15 SER CA C 22 57.767 57.767 58.944 -1.177 18514 2295 1 9 . 1 1 15 15 SER CB C 22 63.598 63.598 65.414 -1.816 18514 2296 1 9 . 1 1 15 15 SER H H 22 8.427 8.427 8.368 0.059 18514 2297 1 9 . 1 1 16 16 ASN N N 23 120.784 120.784 121.448 -0.664 18514 2298 1 9 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.996 -0.186 18514 2299 1 9 . 1 1 16 16 ASN C C 23 175.364 175.364 175.001 0.363 18514 2300 1 9 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.008 0.166 18514 2301 1 9 . 1 1 16 16 ASN CB C 23 38.467 38.467 41.174 -2.707 18514 2302 1 9 . 1 1 16 16 ASN H H 23 8.453 8.453 8.308 0.145 18514 2303 1 9 . 1 1 17 17 THR N N 24 115.660 115.660 118.775 -3.115 18514 2304 1 9 . 1 1 17 17 THR HA H 24 4.346 4.346 4.415 -0.069 18514 2305 1 9 . 1 1 17 17 THR C C 24 173.428 173.428 175.120 -1.692 18514 2306 1 9 . 1 1 17 17 THR CA C 24 62.126 62.126 64.561 -2.434 18514 2307 1 9 . 1 1 17 17 THR CB C 24 68.777 68.777 69.433 -0.656 18514 2308 1 9 . 1 1 17 17 THR H H 24 8.417 8.417 8.743 -0.326 18514 2309 1 9 . 1 1 18 18 LEU N N 25 121.190 121.190 119.428 1.762 18514 2310 1 9 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.580 -0.286 18514 2311 1 9 . 1 1 18 18 LEU C C 25 173.951 173.951 177.442 -3.491 18514 2312 1 9 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.328 -0.080 18514 2313 1 9 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.239 0.068 18514 2314 1 9 . 1 1 18 18 LEU H H 25 8.218 8.218 7.756 0.462 18514 2315 1 9 . 1 1 19 19 THR N N 26 106.988 106.988 113.181 -6.193 18514 2316 1 9 . 1 1 19 19 THR HA H 26 4.230 4.230 4.572 -0.342 18514 2317 1 9 . 1 1 19 19 THR C C 26 171.429 171.429 175.970 -4.541 18514 2318 1 9 . 1 1 19 19 THR CA C 26 60.631 60.631 61.964 -1.333 18514 2319 1 9 . 1 1 19 19 THR CB C 26 68.296 68.296 68.212 0.084 18514 2320 1 9 . 1 1 19 19 THR H H 26 7.791 7.791 7.807 -0.016 18514 2321 1 9 . 1 1 20 20 THR N N 27 121.441 121.441 120.744 0.697 18514 2322 1 9 . 1 1 20 20 THR HA H 27 3.976 3.976 4.091 -0.115 18514 2323 1 9 . 1 1 20 20 THR C C 27 175.121 175.121 175.883 -0.762 18514 2324 1 9 . 1 1 20 20 THR CA C 27 68.900 68.900 66.644 2.256 18514 2325 1 9 . 1 1 20 20 THR CB C 27 65.100 65.100 68.565 -3.465 18514 2326 1 9 . 1 1 20 20 THR H H 27 7.370 7.370 8.348 -0.978 18514 2327 1 9 . 1 1 21 21 CYS N N 28 121.174 121.174 115.738 5.436 18514 2328 1 9 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.447 -0.437 18514 2329 1 9 . 1 1 21 21 CYS C C 28 174.930 174.930 175.004 -0.074 18514 2330 1 9 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.912 0.897 18514 2331 1 9 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.780 5.977 18514 2332 1 9 . 1 1 21 21 CYS H H 28 9.321 9.321 8.250 1.071 18514 2333 1 9 . 1 1 22 22 ARG N N 29 115.643 115.643 119.347 -3.704 18514 2334 1 9 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.830 -0.607 18514 2335 1 9 . 1 1 22 22 ARG C C 29 177.619 177.619 174.185 3.434 18514 2336 1 9 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.769 -2.939 18514 2337 1 9 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.017 1.251 18514 2338 1 9 . 1 1 22 22 ARG H H 29 7.880 7.880 7.376 0.504 18514 2339 1 9 . 1 1 23 23 ASN N N 30 113.854 113.854 114.983 -1.129 18514 2340 1 9 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.669 -0.083 18514 2341 1 9 . 1 1 23 23 ASN C C 30 174.972 174.972 176.044 -1.072 18514 2342 1 9 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.819 -0.343 18514 2343 1 9 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.367 0.987 18514 2344 1 9 . 1 1 23 23 ASN H H 30 6.816 6.816 7.201 -0.385 18514 2345 1 9 . 1 1 24 24 SER N N 31 113.788 113.788 113.534 0.254 18514 2346 1 9 . 1 1 24 24 SER HA H 31 4.172 4.172 4.334 -0.162 18514 2347 1 9 . 1 1 24 24 SER C C 31 174.820 174.820 174.853 -0.033 18514 2348 1 9 . 1 1 24 24 SER CA C 31 61.080 61.080 61.224 -0.144 18514 2349 1 9 . 1 1 24 24 SER CB C 31 63.425 63.425 62.682 0.743 18514 2350 1 9 . 1 1 24 24 SER H H 31 8.873 8.873 8.756 0.117 18514 2351 1 9 . 1 1 25 25 ARG N N 32 119.696 119.696 118.421 1.275 18514 2352 1 9 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.424 -0.217 18514 2353 1 9 . 1 1 25 25 ARG C C 32 175.482 175.482 175.813 -0.331 18514 2354 1 9 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.019 0.999 18514 2355 1 9 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.795 -1.063 18514 2356 1 9 . 1 1 25 25 ARG H H 32 8.104 8.104 8.133 -0.029 18514 2357 1 9 . 1 1 26 26 CYS N N 33 123.061 123.061 122.399 0.662 18514 2358 1 9 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.080 -0.393 18514 2359 1 9 . 1 1 26 26 CYS C C 33 173.064 173.064 173.374 -0.310 18514 2360 1 9 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.301 0.399 18514 2361 1 9 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.578 3.376 18514 2362 1 9 . 1 1 26 26 CYS H H 33 7.766 7.766 7.772 -0.006 18514 2363 1 9 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.280 0.012 18514 2364 1 9 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.300 -1.034 18514 2365 1 9 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.621 0.537 18514 2366 1 9 . 1 1 28 28 CYS N N 35 129.050 129.050 115.912 13.138 18514 2367 1 9 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.190 -0.560 18514 2368 1 9 . 1 1 28 28 CYS C C 35 171.254 171.254 176.764 -5.510 18514 2369 1 9 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.398 -0.813 18514 2370 1 9 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.023 3.224 18514 2371 1 9 . 1 1 28 28 CYS H H 35 8.368 8.368 8.001 0.367 18514 2372 1 9 . 1 1 29 29 TYR N N 36 124.364 124.364 122.025 2.339 18514 2373 1 9 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.175 -0.115 18514 2374 1 9 . 1 1 29 29 TYR C C 36 172.650 172.650 178.222 -5.572 18514 2375 1 9 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.568 0.553 18514 2376 1 9 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.346 -0.425 18514 2377 1 9 . 1 1 29 29 TYR H H 36 8.197 8.197 7.713 0.484 18514 2378 1 9 . 1 1 30 30 LYS N N 37 117.214 117.214 118.933 -1.719 18514 2379 1 9 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.821 -0.042 18514 2380 1 9 . 1 1 30 30 LYS C C 37 172.650 172.650 177.314 -4.664 18514 2381 1 9 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.293 0.103 18514 2382 1 9 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.088 0.544 18514 2383 1 9 . 1 1 30 30 LYS H H 37 8.441 8.441 8.177 0.264 18514 2384 1 9 . 1 1 31 31 SER N N 38 109.671 109.671 113.264 -3.593 18514 2385 1 9 . 1 1 31 31 SER HA H 38 4.348 4.348 4.311 0.037 18514 2386 1 9 . 1 1 31 31 SER C C 38 173.566 173.566 173.337 0.229 18514 2387 1 9 . 1 1 31 31 SER CA C 38 56.469 56.469 58.110 -1.641 18514 2388 1 9 . 1 1 31 31 SER CB C 38 63.461 63.461 63.224 0.237 18514 2389 1 9 . 1 1 31 31 SER H H 38 7.180 7.180 7.498 -0.318 18514 2390 1 9 . 1 1 32 32 TYR N N 39 116.096 116.096 114.060 2.036 18514 2391 1 9 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.673 -0.586 18514 2392 1 9 . 1 1 32 32 TYR C C 39 176.728 176.728 174.346 2.382 18514 2393 1 9 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.148 -0.532 18514 2394 1 9 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.587 -0.037 18514 2395 1 9 . 1 1 32 32 TYR H H 39 7.410 7.410 7.459 -0.049 18514 2396 1 9 . 1 1 33 33 ASN N N 40 116.549 116.549 116.008 0.541 18514 2397 1 9 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.803 0.200 18514 2398 1 9 . 1 1 33 33 ASN C C 40 176.083 176.083 174.395 1.688 18514 2399 1 9 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.502 -0.358 18514 2400 1 9 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.056 2.498 18514 2401 1 9 . 1 1 33 33 ASN H H 40 8.257 8.257 7.855 0.402 18514 2402 1 9 . 1 1 34 34 SER N N 41 115.071 115.071 113.458 1.613 18514 2403 1 9 . 1 1 34 34 SER HA H 41 4.477 4.477 5.178 -0.701 18514 2404 1 9 . 1 1 34 34 SER C C 41 174.850 174.850 174.074 0.776 18514 2405 1 9 . 1 1 34 34 SER CA C 41 57.625 57.625 57.148 0.477 18514 2406 1 9 . 1 1 34 34 SER CB C 41 65.000 65.000 65.226 -0.226 18514 2407 1 9 . 1 1 34 34 SER H H 41 8.720 8.720 8.476 0.244 18514 2408 1 9 . 1 1 35 35 CYS N N 42 115.950 115.950 118.516 -2.566 18514 2409 1 9 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.837 0.843 18514 2410 1 9 . 1 1 35 35 CYS C C 42 174.850 174.850 175.188 -0.338 18514 2411 1 9 . 1 1 35 35 CYS CA C 42 59.784 59.784 57.861 1.923 18514 2412 1 9 . 1 1 35 35 CYS CB C 42 31.948 31.948 26.513 5.435 18514 2413 1 9 . 1 1 35 35 CYS H H 42 8.696 8.696 8.906 -0.210 18514 2414 1 9 . 1 1 36 36 ALA N N 43 124.417 124.417 124.154 0.263 18514 2415 1 9 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.161 0.056 18514 2416 1 9 . 1 1 36 36 ALA C C 43 173.572 173.572 177.645 -4.073 18514 2417 1 9 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.966 1.363 18514 2418 1 9 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.283 -0.448 18514 2419 1 9 . 1 1 36 36 ALA H H 43 8.002 8.002 8.079 -0.077 18514 2420 1 9 . 1 1 37 37 GLY N N 44 113.524 113.524 110.925 2.599 18514 2421 1 9 . 1 1 37 37 GLY C C 44 170.263 170.263 174.323 -4.060 18514 2422 1 9 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.711 1.006 18514 2423 1 9 . 1 1 37 37 GLY H H 44 8.932 8.932 8.393 0.539 18514 2424 1 9 . 1 1 38 38 CYS N N 45 120.184 120.184 118.324 1.860 18514 2425 1 9 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.241 -0.165 18514 2426 1 9 . 1 1 38 38 CYS C C 45 170.263 170.263 174.448 -4.185 18514 2427 1 9 . 1 1 38 38 CYS CA C 45 61.886 61.886 59.281 2.605 18514 2428 1 9 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.405 5.217 18514 2429 1 9 . 1 1 38 38 CYS H H 45 7.641 7.641 7.681 -0.040 18514 2430 1 9 . 1 1 39 39 HIS N N 46 118.156 118.156 118.110 0.046 18514 2431 1 9 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.806 0.244 18514 2432 1 9 . 1 1 39 39 HIS C C 46 174.223 174.223 175.224 -1.001 18514 2433 1 9 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.625 -1.136 18514 2434 1 9 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.669 0.019 18514 2435 1 9 . 1 1 39 39 HIS H H 46 8.234 8.234 8.511 -0.277 18514 2436 1 9 . 1 1 40 40 CYS N N 47 118.354 118.354 117.787 0.567 18514 2437 1 9 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.651 0.171 18514 2438 1 9 . 1 1 40 40 CYS C C 47 176.296 176.296 174.622 1.674 18514 2439 1 9 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.175 -1.579 18514 2440 1 9 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.704 5.534 18514 2441 1 9 . 1 1 40 40 CYS H H 47 7.403 7.403 7.984 -0.581 18514 2442 1 9 . 1 1 41 41 VAL N N 48 118.968 118.968 123.078 -4.110 18514 2443 1 9 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.270 -0.039 18514 2444 1 9 . 1 1 41 41 VAL C C 48 174.265 174.265 176.236 -1.971 18514 2445 1 9 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.594 -0.363 18514 2446 1 9 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.881 0.817 18514 2447 1 9 . 1 1 41 41 VAL H H 48 8.205 8.205 8.843 -0.638 18514 2448 1 9 . 1 1 42 42 GLY N N 49 115.726 115.726 114.372 1.354 18514 2449 1 9 . 1 1 42 42 GLY C C 49 174.223 174.223 173.923 0.300 18514 2450 1 9 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.138 0.975 18514 2451 1 9 . 1 1 42 42 GLY H H 49 8.634 8.634 8.601 0.033 18514 2452 1 9 . 1 1 43 43 CYS N N 50 119.917 119.917 119.748 0.169 18514 2453 1 9 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.452 -1.295 18514 2454 1 9 . 1 1 43 43 CYS C C 50 173.428 173.428 174.644 -1.216 18514 2455 1 9 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.956 5.391 18514 2456 1 9 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.989 6.137 18514 2457 1 9 . 1 1 43 43 CYS H H 50 7.670 7.670 8.258 -0.588 18514 2458 1 9 . 1 1 44 44 LYS N N 51 128.057 128.057 129.243 -1.186 18514 2459 1 9 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.413 0.185 18514 2460 1 9 . 1 1 44 44 LYS C C 51 171.776 171.776 174.431 -2.655 18514 2461 1 9 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.411 -0.375 18514 2462 1 9 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.056 -0.331 18514 2463 1 9 . 1 1 44 44 LYS H H 51 7.934 7.934 8.492 -0.558 18514 2464 1 9 . 1 1 45 45 ASN N N 52 125.259 125.259 122.868 2.391 18514 2465 1 9 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.140 -0.373 18514 2466 1 9 . 1 1 45 45 ASN C C 52 171.776 171.776 173.933 -2.157 18514 2467 1 9 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.324 1.926 18514 2468 1 9 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.999 -0.479 18514 2469 1 9 . 1 1 45 45 ASN H H 52 9.076 9.076 8.270 0.806 18514 2470 1 9 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.347 0.116 18514 2471 1 9 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.661 -0.530 18514 2472 1 9 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.797 0.534 18514 2473 1 9 . 1 1 47 47 HIS N N 54 121.186 121.186 118.715 2.471 18514 2474 1 9 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.713 -0.199 18514 2475 1 9 . 1 1 47 47 HIS C C 54 172.204 172.204 174.516 -2.312 18514 2476 1 9 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.877 0.427 18514 2477 1 9 . 1 1 47 47 HIS CB C 54 27.908 27.908 31.193 -3.285 18514 2478 1 9 . 1 1 47 47 HIS H H 54 8.236 8.236 8.004 0.232 18514 2479 1 9 . 1 1 48 48 LYS N N 55 123.556 123.556 122.818 0.738 18514 2480 1 9 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.484 -0.023 18514 2481 1 9 . 1 1 48 48 LYS C C 55 175.066 175.066 176.728 -1.662 18514 2482 1 9 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.072 0.248 18514 2483 1 9 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.252 -0.146 18514 2484 1 9 . 1 1 48 48 LYS H H 55 8.470 8.470 8.660 -0.190 18514 2485 1 9 . 1 1 49 49 GLU N N 56 121.100 121.100 122.545 -1.445 18514 2486 1 9 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.336 0.015 18514 2487 1 9 . 1 1 49 49 GLU C C 56 173.210 173.210 175.386 -2.176 18514 2488 1 9 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.394 -0.031 18514 2489 1 9 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.439 2.184 18514 2490 1 9 . 1 1 49 49 GLU H H 56 8.523 8.523 8.583 -0.060 18514 2491 1 9 . 1 1 50 50 ASP N N 57 121.579 121.579 123.790 -2.211 18514 2492 1 9 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.805 -0.136 18514 2493 1 9 . 1 1 50 50 ASP C C 57 173.845 173.845 175.146 -1.301 18514 2494 1 9 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.258 0.033 18514 2495 1 9 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.665 -0.213 18514 2496 1 9 . 1 1 50 50 ASP H H 57 8.396 8.396 8.179 0.217 18514 2497 1 9 . 1 1 51 51 TYR N N 58 120.844 120.844 124.119 -3.275 18514 2498 1 9 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.659 -0.142 18514 2499 1 9 . 1 1 51 51 TYR C C 58 173.968 173.968 175.293 -1.325 18514 2500 1 9 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.463 0.333 18514 2501 1 9 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.625 -0.667 18514 2502 1 9 . 1 1 51 51 TYR H H 58 8.176 8.176 8.541 -0.365 18514 2503 1 10 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.709 0.074 18514 2504 1 10 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.327 -0.520 18514 2505 1 10 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.538 -0.747 18514 2506 1 10 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.438 -0.035 18514 2507 1 10 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.825 -0.091 18514 2508 1 10 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.332 -0.444 18514 2509 1 10 . 1 1 4 4 LYS N N 11 124.307 124.307 125.454 -1.147 18514 2510 1 10 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.353 0.162 18514 2511 1 10 . 1 1 4 4 LYS C C 11 173.272 173.272 175.119 -1.847 18514 2512 1 10 . 1 1 4 4 LYS CA C 11 54.281 54.281 55.139 -0.858 18514 2513 1 10 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.199 -0.279 18514 2514 1 10 . 1 1 4 4 LYS H H 11 8.380 8.380 8.313 0.067 18514 2515 1 10 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.402 0.034 18514 2516 1 10 . 1 1 5 5 PRO C C 12 127.380 127.380 175.718 -48.338 18514 2517 1 10 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.807 -0.014 18514 2518 1 10 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.214 -0.132 18514 2519 1 10 . 1 1 6 6 LYS N N 13 118.851 118.851 121.770 -2.919 18514 2520 1 10 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.567 0.580 18514 2521 1 10 . 1 1 6 6 LYS C C 13 173.408 173.408 176.361 -2.953 18514 2522 1 10 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.940 -0.483 18514 2523 1 10 . 1 1 6 6 LYS CB C 13 34.841 34.841 32.441 2.400 18514 2524 1 10 . 1 1 6 6 LYS H H 13 8.064 8.064 8.213 -0.149 18514 2525 1 10 . 1 1 7 7 CYS N N 14 127.385 127.385 121.234 6.151 18514 2526 1 10 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.821 0.407 18514 2527 1 10 . 1 1 7 7 CYS C C 14 173.408 173.408 175.440 -2.032 18514 2528 1 10 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.795 -0.203 18514 2529 1 10 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.455 4.406 18514 2530 1 10 . 1 1 7 7 CYS H H 14 9.943 9.943 8.388 1.555 18514 2531 1 10 . 1 1 8 8 ARG N N 15 117.940 117.940 119.961 -2.021 18514 2532 1 10 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.580 -0.234 18514 2533 1 10 . 1 1 8 8 ARG C C 15 175.808 175.808 175.861 -0.053 18514 2534 1 10 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.215 -0.844 18514 2535 1 10 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.198 0.533 18514 2536 1 10 . 1 1 8 8 ARG H H 15 8.835 8.835 8.514 0.321 18514 2537 1 10 . 1 1 9 9 CYS N N 16 122.323 122.323 118.569 3.754 18514 2538 1 10 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.676 -0.652 18514 2539 1 10 . 1 1 9 9 CYS C C 16 174.360 174.360 176.097 -1.737 18514 2540 1 10 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.230 0.009 18514 2541 1 10 . 1 1 9 9 CYS CB C 16 32.451 32.451 24.927 7.524 18514 2542 1 10 . 1 1 9 9 CYS H H 16 7.433 7.433 8.366 -0.933 18514 2543 1 10 . 1 1 10 10 GLY N N 17 108.065 108.065 115.793 -7.728 18514 2544 1 10 . 1 1 10 10 GLY C C 17 174.518 174.518 175.174 -0.656 18514 2545 1 10 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.596 -0.035 18514 2546 1 10 . 1 1 10 10 GLY H H 17 8.788 8.788 8.742 0.046 18514 2547 1 10 . 1 1 11 11 ILE N N 18 118.990 118.990 121.713 -2.723 18514 2548 1 10 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.014 -0.037 18514 2549 1 10 . 1 1 11 11 ILE C C 18 173.820 173.820 176.123 -2.303 18514 2550 1 10 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.492 0.098 18514 2551 1 10 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.888 -0.164 18514 2552 1 10 . 1 1 11 11 ILE H H 18 7.557 7.557 7.889 -0.332 18514 2553 1 10 . 1 1 12 12 SER N N 19 116.128 116.128 115.060 1.068 18514 2554 1 10 . 1 1 12 12 SER HA H 19 4.510 4.510 4.666 -0.156 18514 2555 1 10 . 1 1 12 12 SER C C 19 172.948 172.948 173.515 -0.567 18514 2556 1 10 . 1 1 12 12 SER CA C 19 58.200 58.200 57.564 0.636 18514 2557 1 10 . 1 1 12 12 SER CB C 19 63.800 63.800 64.501 -0.702 18514 2558 1 10 . 1 1 12 12 SER H H 19 8.418 8.418 7.597 0.821 18514 2559 1 10 . 1 1 13 13 GLY N N 20 110.984 110.984 114.317 -3.333 18514 2560 1 10 . 1 1 13 13 GLY C C 20 172.948 172.948 173.012 -0.064 18514 2561 1 10 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.943 0.455 18514 2562 1 10 . 1 1 13 13 GLY H H 20 8.243 8.243 8.370 -0.127 18514 2563 1 10 . 1 1 14 14 SER N N 21 114.951 114.951 117.815 -2.864 18514 2564 1 10 . 1 1 14 14 SER HA H 21 4.535 4.535 4.745 -0.210 18514 2565 1 10 . 1 1 14 14 SER C C 21 175.376 175.376 175.797 -0.421 18514 2566 1 10 . 1 1 14 14 SER CA C 21 57.930 57.930 58.847 -0.917 18514 2567 1 10 . 1 1 14 14 SER CB C 21 64.080 64.080 64.276 -0.196 18514 2568 1 10 . 1 1 14 14 SER H H 21 8.250 8.250 8.207 0.043 18514 2569 1 10 . 1 1 15 15 SER N N 22 118.334 118.334 117.376 0.958 18514 2570 1 10 . 1 1 15 15 SER HA H 22 4.449 4.449 4.134 0.315 18514 2571 1 10 . 1 1 15 15 SER C C 22 174.863 174.863 173.879 0.984 18514 2572 1 10 . 1 1 15 15 SER CA C 22 57.767 57.767 61.015 -3.248 18514 2573 1 10 . 1 1 15 15 SER CB C 22 63.598 63.598 62.314 1.284 18514 2574 1 10 . 1 1 15 15 SER H H 22 8.427 8.427 9.116 -0.689 18514 2575 1 10 . 1 1 16 16 ASN N N 23 120.784 120.784 120.797 -0.013 18514 2576 1 10 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.841 -0.031 18514 2577 1 10 . 1 1 16 16 ASN C C 23 175.364 175.364 174.842 0.522 18514 2578 1 10 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.043 0.131 18514 2579 1 10 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.099 0.368 18514 2580 1 10 . 1 1 16 16 ASN H H 23 8.453 8.453 8.226 0.227 18514 2581 1 10 . 1 1 17 17 THR N N 24 115.660 115.660 116.440 -0.780 18514 2582 1 10 . 1 1 17 17 THR HA H 24 4.346 4.346 4.509 -0.163 18514 2583 1 10 . 1 1 17 17 THR C C 24 173.428 173.428 174.762 -1.334 18514 2584 1 10 . 1 1 17 17 THR CA C 24 62.126 62.126 63.151 -1.025 18514 2585 1 10 . 1 1 17 17 THR CB C 24 68.777 68.777 69.804 -1.027 18514 2586 1 10 . 1 1 17 17 THR H H 24 8.417 8.417 7.909 0.508 18514 2587 1 10 . 1 1 18 18 LEU N N 25 121.190 121.190 117.541 3.649 18514 2588 1 10 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.605 -0.311 18514 2589 1 10 . 1 1 18 18 LEU C C 25 173.951 173.951 175.616 -1.665 18514 2590 1 10 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.548 -0.300 18514 2591 1 10 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.276 0.031 18514 2592 1 10 . 1 1 18 18 LEU H H 25 8.218 8.218 8.028 0.190 18514 2593 1 10 . 1 1 19 19 THR N N 26 106.988 106.988 105.721 1.267 18514 2594 1 10 . 1 1 19 19 THR HA H 26 4.230 4.230 4.561 -0.331 18514 2595 1 10 . 1 1 19 19 THR C C 26 171.429 171.429 175.313 -3.884 18514 2596 1 10 . 1 1 19 19 THR CA C 26 60.631 60.631 60.146 0.485 18514 2597 1 10 . 1 1 19 19 THR CB C 26 68.296 68.296 69.842 -1.546 18514 2598 1 10 . 1 1 19 19 THR H H 26 7.791 7.791 7.520 0.271 18514 2599 1 10 . 1 1 20 20 THR N N 27 121.441 121.441 118.915 2.526 18514 2600 1 10 . 1 1 20 20 THR HA H 27 3.976 3.976 4.285 -0.309 18514 2601 1 10 . 1 1 20 20 THR C C 27 175.121 175.121 176.137 -1.016 18514 2602 1 10 . 1 1 20 20 THR CA C 27 68.900 68.900 65.238 3.662 18514 2603 1 10 . 1 1 20 20 THR CB C 27 65.100 65.100 68.440 -3.340 18514 2604 1 10 . 1 1 20 20 THR H H 27 7.370 7.370 8.356 -0.986 18514 2605 1 10 . 1 1 21 21 CYS N N 28 121.174 121.174 117.881 3.293 18514 2606 1 10 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.548 -0.538 18514 2607 1 10 . 1 1 21 21 CYS C C 28 174.930 174.930 175.938 -1.008 18514 2608 1 10 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.112 0.697 18514 2609 1 10 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.036 5.721 18514 2610 1 10 . 1 1 21 21 CYS H H 28 9.321 9.321 8.305 1.016 18514 2611 1 10 . 1 1 22 22 ARG N N 29 115.643 115.643 118.658 -3.015 18514 2612 1 10 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.195 -0.972 18514 2613 1 10 . 1 1 22 22 ARG C C 29 177.619 177.619 174.439 3.180 18514 2614 1 10 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.597 -3.767 18514 2615 1 10 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.985 1.283 18514 2616 1 10 . 1 1 22 22 ARG H H 29 7.880 7.880 8.112 -0.232 18514 2617 1 10 . 1 1 23 23 ASN N N 30 113.854 113.854 115.236 -1.382 18514 2618 1 10 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.478 0.108 18514 2619 1 10 . 1 1 23 23 ASN C C 30 174.972 174.972 175.111 -0.139 18514 2620 1 10 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.384 0.092 18514 2621 1 10 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.568 0.785 18514 2622 1 10 . 1 1 23 23 ASN H H 30 6.816 6.816 7.256 -0.440 18514 2623 1 10 . 1 1 24 24 SER N N 31 113.788 113.788 114.102 -0.314 18514 2624 1 10 . 1 1 24 24 SER HA H 31 4.172 4.172 4.439 -0.267 18514 2625 1 10 . 1 1 24 24 SER C C 31 174.820 174.820 174.828 -0.008 18514 2626 1 10 . 1 1 24 24 SER CA C 31 61.080 61.080 60.599 0.481 18514 2627 1 10 . 1 1 24 24 SER CB C 31 63.425 63.425 62.907 0.518 18514 2628 1 10 . 1 1 24 24 SER H H 31 8.873 8.873 8.693 0.180 18514 2629 1 10 . 1 1 25 25 ARG N N 32 119.696 119.696 118.297 1.399 18514 2630 1 10 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.412 -0.205 18514 2631 1 10 . 1 1 25 25 ARG C C 32 175.482 175.482 176.100 -0.618 18514 2632 1 10 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.127 1.891 18514 2633 1 10 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.260 -0.528 18514 2634 1 10 . 1 1 25 25 ARG H H 32 8.104 8.104 8.264 -0.160 18514 2635 1 10 . 1 1 26 26 CYS N N 33 123.061 123.061 123.154 -0.093 18514 2636 1 10 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.968 -0.281 18514 2637 1 10 . 1 1 26 26 CYS C C 33 173.064 173.064 173.907 -0.843 18514 2638 1 10 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.223 -0.523 18514 2639 1 10 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.283 3.671 18514 2640 1 10 . 1 1 26 26 CYS H H 33 7.766 7.766 7.941 -0.175 18514 2641 1 10 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.379 -0.087 18514 2642 1 10 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.983 -0.716 18514 2643 1 10 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.381 0.777 18514 2644 1 10 . 1 1 28 28 CYS N N 35 129.050 129.050 116.018 13.032 18514 2645 1 10 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.288 -0.658 18514 2646 1 10 . 1 1 28 28 CYS C C 35 171.254 171.254 176.420 -5.166 18514 2647 1 10 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.797 -0.212 18514 2648 1 10 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.260 2.987 18514 2649 1 10 . 1 1 28 28 CYS H H 35 8.368 8.368 7.754 0.614 18514 2650 1 10 . 1 1 29 29 TYR N N 36 124.364 124.364 122.250 2.114 18514 2651 1 10 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.840 0.220 18514 2652 1 10 . 1 1 29 29 TYR C C 36 172.650 172.650 177.668 -5.018 18514 2653 1 10 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.445 0.676 18514 2654 1 10 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.266 -0.345 18514 2655 1 10 . 1 1 29 29 TYR H H 36 8.197 8.197 7.825 0.372 18514 2656 1 10 . 1 1 30 30 LYS N N 37 117.214 117.214 117.533 -0.319 18514 2657 1 10 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.777 0.002 18514 2658 1 10 . 1 1 30 30 LYS C C 37 172.650 172.650 176.762 -4.112 18514 2659 1 10 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.254 0.142 18514 2660 1 10 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.366 0.266 18514 2661 1 10 . 1 1 30 30 LYS H H 37 8.441 8.441 7.887 0.554 18514 2662 1 10 . 1 1 31 31 SER N N 38 109.671 109.671 113.156 -3.485 18514 2663 1 10 . 1 1 31 31 SER HA H 38 4.348 4.348 4.442 -0.094 18514 2664 1 10 . 1 1 31 31 SER C C 38 173.566 173.566 173.188 0.378 18514 2665 1 10 . 1 1 31 31 SER CA C 38 56.469 56.469 58.026 -1.556 18514 2666 1 10 . 1 1 31 31 SER CB C 38 63.461 63.461 63.745 -0.284 18514 2667 1 10 . 1 1 31 31 SER H H 38 7.180 7.180 7.258 -0.078 18514 2668 1 10 . 1 1 32 32 TYR N N 39 116.096 116.096 115.657 0.439 18514 2669 1 10 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.480 -0.393 18514 2670 1 10 . 1 1 32 32 TYR C C 39 176.728 176.728 174.855 1.873 18514 2671 1 10 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.239 -0.623 18514 2672 1 10 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.350 -0.800 18514 2673 1 10 . 1 1 32 32 TYR H H 39 7.410 7.410 7.106 0.304 18514 2674 1 10 . 1 1 33 33 ASN N N 40 116.549 116.549 116.691 -0.142 18514 2675 1 10 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.014 -0.011 18514 2676 1 10 . 1 1 33 33 ASN C C 40 176.083 176.083 174.717 1.366 18514 2677 1 10 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.646 -0.502 18514 2678 1 10 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.233 2.321 18514 2679 1 10 . 1 1 33 33 ASN H H 40 8.257 8.257 7.914 0.343 18514 2680 1 10 . 1 1 34 34 SER N N 41 115.071 115.071 114.522 0.549 18514 2681 1 10 . 1 1 34 34 SER HA H 41 4.477 4.477 4.954 -0.477 18514 2682 1 10 . 1 1 34 34 SER C C 41 174.850 174.850 175.118 -0.268 18514 2683 1 10 . 1 1 34 34 SER CA C 41 57.625 57.625 57.094 0.530 18514 2684 1 10 . 1 1 34 34 SER CB C 41 65.000 65.000 65.122 -0.122 18514 2685 1 10 . 1 1 34 34 SER H H 41 8.720 8.720 8.114 0.606 18514 2686 1 10 . 1 1 35 35 CYS N N 42 115.950 115.950 122.783 -6.833 18514 2687 1 10 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.630 1.050 18514 2688 1 10 . 1 1 35 35 CYS C C 42 174.850 174.850 174.770 0.080 18514 2689 1 10 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.947 0.837 18514 2690 1 10 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.627 7.321 18514 2691 1 10 . 1 1 35 35 CYS H H 42 8.696 8.696 9.063 -0.367 18514 2692 1 10 . 1 1 36 36 ALA N N 43 124.417 124.417 126.310 -1.893 18514 2693 1 10 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.541 -0.324 18514 2694 1 10 . 1 1 36 36 ALA C C 43 173.572 173.572 177.601 -4.029 18514 2695 1 10 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.701 2.628 18514 2696 1 10 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.947 -1.111 18514 2697 1 10 . 1 1 36 36 ALA H H 43 8.002 8.002 8.052 -0.050 18514 2698 1 10 . 1 1 37 37 GLY N N 44 113.524 113.524 111.709 1.815 18514 2699 1 10 . 1 1 37 37 GLY C C 44 170.263 170.263 174.192 -3.929 18514 2700 1 10 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.057 0.660 18514 2701 1 10 . 1 1 37 37 GLY H H 44 8.932 8.932 8.760 0.172 18514 2702 1 10 . 1 1 38 38 CYS N N 45 120.184 120.184 118.571 1.613 18514 2703 1 10 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.738 -0.662 18514 2704 1 10 . 1 1 38 38 CYS C C 45 170.263 170.263 175.357 -5.094 18514 2705 1 10 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.918 3.968 18514 2706 1 10 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.098 4.524 18514 2707 1 10 . 1 1 38 38 CYS H H 45 7.641 7.641 7.829 -0.188 18514 2708 1 10 . 1 1 39 39 HIS N N 46 118.156 118.156 118.628 -0.472 18514 2709 1 10 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.726 0.324 18514 2710 1 10 . 1 1 39 39 HIS C C 46 174.223 174.223 174.863 -0.640 18514 2711 1 10 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.707 -1.218 18514 2712 1 10 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.751 -0.063 18514 2713 1 10 . 1 1 39 39 HIS H H 46 8.234 8.234 8.834 -0.600 18514 2714 1 10 . 1 1 40 40 CYS N N 47 118.354 118.354 116.880 1.474 18514 2715 1 10 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.741 0.081 18514 2716 1 10 . 1 1 40 40 CYS C C 47 176.296 176.296 174.636 1.660 18514 2717 1 10 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.619 -1.023 18514 2718 1 10 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.045 6.193 18514 2719 1 10 . 1 1 40 40 CYS H H 47 7.403 7.403 7.809 -0.406 18514 2720 1 10 . 1 1 41 41 VAL N N 48 118.968 118.968 125.043 -6.075 18514 2721 1 10 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.233 -0.002 18514 2722 1 10 . 1 1 41 41 VAL C C 48 174.265 174.265 176.027 -1.762 18514 2723 1 10 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.568 -0.337 18514 2724 1 10 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.066 1.632 18514 2725 1 10 . 1 1 41 41 VAL H H 48 8.205 8.205 8.724 -0.519 18514 2726 1 10 . 1 1 42 42 GLY N N 49 115.726 115.726 115.038 0.688 18514 2727 1 10 . 1 1 42 42 GLY C C 49 174.223 174.223 173.661 0.562 18514 2728 1 10 . 1 1 42 42 GLY CA C 49 46.113 46.113 44.907 1.206 18514 2729 1 10 . 1 1 42 42 GLY H H 49 8.634 8.634 8.644 -0.010 18514 2730 1 10 . 1 1 43 43 CYS N N 50 119.917 119.917 120.294 -0.377 18514 2731 1 10 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.458 -1.301 18514 2732 1 10 . 1 1 43 43 CYS C C 50 173.428 173.428 175.012 -1.584 18514 2733 1 10 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.877 5.469 18514 2734 1 10 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.448 6.678 18514 2735 1 10 . 1 1 43 43 CYS H H 50 7.670 7.670 8.388 -0.718 18514 2736 1 10 . 1 1 44 44 LYS N N 51 128.057 128.057 130.364 -2.307 18514 2737 1 10 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.366 0.232 18514 2738 1 10 . 1 1 44 44 LYS C C 51 171.776 171.776 174.732 -2.956 18514 2739 1 10 . 1 1 44 44 LYS CA C 51 54.036 54.036 55.332 -1.296 18514 2740 1 10 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.945 -1.220 18514 2741 1 10 . 1 1 44 44 LYS H H 51 7.934 7.934 8.310 -0.376 18514 2742 1 10 . 1 1 45 45 ASN N N 52 125.259 125.259 122.541 2.718 18514 2743 1 10 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.144 -0.377 18514 2744 1 10 . 1 1 45 45 ASN C C 52 171.776 171.776 174.435 -2.659 18514 2745 1 10 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.237 2.013 18514 2746 1 10 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.824 -0.304 18514 2747 1 10 . 1 1 45 45 ASN H H 52 9.076 9.076 8.309 0.767 18514 2748 1 10 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.463 0.000 18514 2749 1 10 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.635 -0.504 18514 2750 1 10 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.129 0.202 18514 2751 1 10 . 1 1 47 47 HIS N N 54 121.186 121.186 121.489 -0.303 18514 2752 1 10 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.754 -0.240 18514 2753 1 10 . 1 1 47 47 HIS C C 54 172.204 172.204 173.840 -1.636 18514 2754 1 10 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.185 1.119 18514 2755 1 10 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.767 -1.859 18514 2756 1 10 . 1 1 47 47 HIS H H 54 8.236 8.236 8.059 0.177 18514 2757 1 10 . 1 1 48 48 LYS N N 55 123.556 123.556 124.314 -0.758 18514 2758 1 10 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.513 -0.052 18514 2759 1 10 . 1 1 48 48 LYS C C 55 175.066 175.066 176.077 -1.011 18514 2760 1 10 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.165 0.155 18514 2761 1 10 . 1 1 48 48 LYS CB C 55 34.106 34.106 32.843 1.263 18514 2762 1 10 . 1 1 48 48 LYS H H 55 8.470 8.470 7.986 0.484 18514 2763 1 10 . 1 1 49 49 GLU N N 56 121.100 121.100 123.509 -2.409 18514 2764 1 10 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.312 0.039 18514 2765 1 10 . 1 1 49 49 GLU C C 56 173.210 173.210 175.430 -2.220 18514 2766 1 10 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.208 0.155 18514 2767 1 10 . 1 1 49 49 GLU CB C 56 30.623 30.623 30.489 0.134 18514 2768 1 10 . 1 1 49 49 GLU H H 56 8.523 8.523 8.483 0.040 18514 2769 1 10 . 1 1 50 50 ASP N N 57 121.579 121.579 123.438 -1.859 18514 2770 1 10 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.480 0.189 18514 2771 1 10 . 1 1 50 50 ASP C C 57 173.845 173.845 174.768 -0.923 18514 2772 1 10 . 1 1 50 50 ASP CA C 57 54.291 54.291 52.989 1.302 18514 2773 1 10 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.602 -1.150 18514 2774 1 10 . 1 1 50 50 ASP H H 57 8.396 8.396 8.348 0.048 18514 2775 1 10 . 1 1 51 51 TYR N N 58 120.844 120.844 120.367 0.477 18514 2776 1 10 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.696 -0.179 18514 2777 1 10 . 1 1 51 51 TYR C C 58 173.968 173.968 175.942 -1.974 18514 2778 1 10 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.452 0.344 18514 2779 1 10 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.096 -0.138 18514 2780 1 10 . 1 1 51 51 TYR H H 58 8.176 8.176 8.322 -0.146 18514 2781 1 11 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.800 -0.017 18514 2782 1 11 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.371 -0.564 18514 2783 1 11 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.633 -0.842 18514 2784 1 11 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.422 -0.019 18514 2785 1 11 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.347 -0.613 18514 2786 1 11 . 1 1 3 3 PRO CB C 10 31.888 31.888 31.886 0.002 18514 2787 1 11 . 1 1 4 4 LYS N N 11 124.307 124.307 125.673 -1.366 18514 2788 1 11 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.459 0.056 18514 2789 1 11 . 1 1 4 4 LYS C C 11 173.272 173.272 174.812 -1.540 18514 2790 1 11 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.334 -0.053 18514 2791 1 11 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.660 0.260 18514 2792 1 11 . 1 1 4 4 LYS H H 11 8.380 8.380 8.246 0.134 18514 2793 1 11 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.353 0.083 18514 2794 1 11 . 1 1 5 5 PRO C C 12 127.380 127.380 175.768 -48.388 18514 2795 1 11 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.258 -0.465 18514 2796 1 11 . 1 1 5 5 PRO CB C 12 32.082 32.082 31.996 0.086 18514 2797 1 11 . 1 1 6 6 LYS N N 13 118.851 118.851 120.528 -1.677 18514 2798 1 11 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.653 0.494 18514 2799 1 11 . 1 1 6 6 LYS C C 13 173.408 173.408 175.289 -1.881 18514 2800 1 11 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.397 0.060 18514 2801 1 11 . 1 1 6 6 LYS CB C 13 34.841 34.841 36.206 -1.365 18514 2802 1 11 . 1 1 6 6 LYS H H 13 8.064 8.064 8.138 -0.074 18514 2803 1 11 . 1 1 7 7 CYS N N 14 127.385 127.385 117.523 9.862 18514 2804 1 11 . 1 1 7 7 CYS HA H 14 5.228 5.228 5.003 0.225 18514 2805 1 11 . 1 1 7 7 CYS C C 14 173.408 173.408 174.203 -0.795 18514 2806 1 11 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.259 0.333 18514 2807 1 11 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.945 3.916 18514 2808 1 11 . 1 1 7 7 CYS H H 14 9.943 9.943 8.423 1.520 18514 2809 1 11 . 1 1 8 8 ARG N N 15 117.940 117.940 119.045 -1.105 18514 2810 1 11 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.615 -0.269 18514 2811 1 11 . 1 1 8 8 ARG C C 15 175.808 175.808 176.074 -0.266 18514 2812 1 11 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.447 -1.076 18514 2813 1 11 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.248 0.482 18514 2814 1 11 . 1 1 8 8 ARG H H 15 8.835 8.835 8.622 0.213 18514 2815 1 11 . 1 1 9 9 CYS N N 16 122.323 122.323 117.729 4.594 18514 2816 1 11 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.355 -0.331 18514 2817 1 11 . 1 1 9 9 CYS C C 16 174.360 174.360 176.261 -1.901 18514 2818 1 11 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.751 -0.512 18514 2819 1 11 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.669 5.782 18514 2820 1 11 . 1 1 9 9 CYS H H 16 7.433 7.433 8.302 -0.869 18514 2821 1 11 . 1 1 10 10 GLY N N 17 108.065 108.065 113.092 -5.027 18514 2822 1 11 . 1 1 10 10 GLY C C 17 174.518 174.518 175.215 -0.697 18514 2823 1 11 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.185 -0.625 18514 2824 1 11 . 1 1 10 10 GLY H H 17 8.788 8.788 8.586 0.202 18514 2825 1 11 . 1 1 11 11 ILE N N 18 118.990 118.990 121.342 -2.352 18514 2826 1 11 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.879 0.098 18514 2827 1 11 . 1 1 11 11 ILE C C 18 173.820 173.820 176.102 -2.282 18514 2828 1 11 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.409 0.181 18514 2829 1 11 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.314 0.410 18514 2830 1 11 . 1 1 11 11 ILE H H 18 7.557 7.557 7.422 0.135 18514 2831 1 11 . 1 1 12 12 SER N N 19 116.128 116.128 114.545 1.583 18514 2832 1 11 . 1 1 12 12 SER HA H 19 4.510 4.510 4.556 -0.046 18514 2833 1 11 . 1 1 12 12 SER C C 19 172.948 172.948 174.479 -1.531 18514 2834 1 11 . 1 1 12 12 SER CA C 19 58.200 58.200 57.133 1.067 18514 2835 1 11 . 1 1 12 12 SER CB C 19 63.800 63.800 63.855 -0.055 18514 2836 1 11 . 1 1 12 12 SER H H 19 8.418 8.418 7.686 0.732 18514 2837 1 11 . 1 1 13 13 GLY N N 20 110.984 110.984 112.486 -1.502 18514 2838 1 11 . 1 1 13 13 GLY C C 20 172.948 172.948 175.229 -2.281 18514 2839 1 11 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.395 0.003 18514 2840 1 11 . 1 1 13 13 GLY H H 20 8.243 8.243 8.912 -0.669 18514 2841 1 11 . 1 1 14 14 SER N N 21 114.951 114.951 115.660 -0.709 18514 2842 1 11 . 1 1 14 14 SER HA H 21 4.535 4.535 4.462 0.073 18514 2843 1 11 . 1 1 14 14 SER C C 21 175.376 175.376 175.377 -0.001 18514 2844 1 11 . 1 1 14 14 SER CA C 21 57.930 57.930 59.616 -1.686 18514 2845 1 11 . 1 1 14 14 SER CB C 21 64.080 64.080 63.075 1.005 18514 2846 1 11 . 1 1 14 14 SER H H 21 8.250 8.250 7.993 0.257 18514 2847 1 11 . 1 1 15 15 SER N N 22 118.334 118.334 115.806 2.528 18514 2848 1 11 . 1 1 15 15 SER HA H 22 4.449 4.449 4.347 0.102 18514 2849 1 11 . 1 1 15 15 SER C C 22 174.863 174.863 174.594 0.269 18514 2850 1 11 . 1 1 15 15 SER CA C 22 57.767 57.767 59.188 -1.421 18514 2851 1 11 . 1 1 15 15 SER CB C 22 63.598 63.598 63.818 -0.220 18514 2852 1 11 . 1 1 15 15 SER H H 22 8.427 8.427 8.260 0.167 18514 2853 1 11 . 1 1 16 16 ASN N N 23 120.784 120.784 118.389 2.395 18514 2854 1 11 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.760 0.050 18514 2855 1 11 . 1 1 16 16 ASN C C 23 175.364 175.364 173.800 1.564 18514 2856 1 11 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.397 -0.223 18514 2857 1 11 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.227 -1.760 18514 2858 1 11 . 1 1 16 16 ASN H H 23 8.453 8.453 7.797 0.656 18514 2859 1 11 . 1 1 17 17 THR N N 24 115.660 115.660 117.676 -2.016 18514 2860 1 11 . 1 1 17 17 THR HA H 24 4.346 4.346 4.545 -0.199 18514 2861 1 11 . 1 1 17 17 THR C C 24 173.428 173.428 176.049 -2.621 18514 2862 1 11 . 1 1 17 17 THR CA C 24 62.126 62.126 64.295 -2.169 18514 2863 1 11 . 1 1 17 17 THR CB C 24 68.777 68.777 69.669 -0.893 18514 2864 1 11 . 1 1 17 17 THR H H 24 8.417 8.417 8.556 -0.139 18514 2865 1 11 . 1 1 18 18 LEU N N 25 121.190 121.190 120.137 1.053 18514 2866 1 11 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.360 -0.066 18514 2867 1 11 . 1 1 18 18 LEU C C 25 173.951 173.951 176.580 -2.629 18514 2868 1 11 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.039 0.209 18514 2869 1 11 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.983 0.324 18514 2870 1 11 . 1 1 18 18 LEU H H 25 8.218 8.218 7.947 0.271 18514 2871 1 11 . 1 1 19 19 THR N N 26 106.988 106.988 109.595 -2.607 18514 2872 1 11 . 1 1 19 19 THR HA H 26 4.230 4.230 4.743 -0.513 18514 2873 1 11 . 1 1 19 19 THR C C 26 171.429 171.429 174.684 -3.255 18514 2874 1 11 . 1 1 19 19 THR CA C 26 60.631 60.631 59.940 0.691 18514 2875 1 11 . 1 1 19 19 THR CB C 26 68.296 68.296 68.891 -0.595 18514 2876 1 11 . 1 1 19 19 THR H H 26 7.791 7.791 8.323 -0.532 18514 2877 1 11 . 1 1 20 20 THR N N 27 121.441 121.441 118.417 3.024 18514 2878 1 11 . 1 1 20 20 THR HA H 27 3.976 3.976 3.952 0.024 18514 2879 1 11 . 1 1 20 20 THR C C 27 175.121 175.121 176.000 -0.879 18514 2880 1 11 . 1 1 20 20 THR CA C 27 68.900 68.900 65.770 3.130 18514 2881 1 11 . 1 1 20 20 THR CB C 27 65.100 65.100 68.245 -3.145 18514 2882 1 11 . 1 1 20 20 THR H H 27 7.370 7.370 7.680 -0.310 18514 2883 1 11 . 1 1 21 21 CYS N N 28 121.174 121.174 117.238 3.936 18514 2884 1 11 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.598 -0.588 18514 2885 1 11 . 1 1 21 21 CYS C C 28 174.930 174.930 175.192 -0.262 18514 2886 1 11 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.447 0.362 18514 2887 1 11 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.023 5.734 18514 2888 1 11 . 1 1 21 21 CYS H H 28 9.321 9.321 8.417 0.904 18514 2889 1 11 . 1 1 22 22 ARG N N 29 115.643 115.643 119.093 -3.450 18514 2890 1 11 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.011 -0.788 18514 2891 1 11 . 1 1 22 22 ARG C C 29 177.619 177.619 175.562 2.057 18514 2892 1 11 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.755 -3.925 18514 2893 1 11 . 1 1 22 22 ARG CB C 29 31.268 31.268 31.242 0.026 18514 2894 1 11 . 1 1 22 22 ARG H H 29 7.880 7.880 7.644 0.236 18514 2895 1 11 . 1 1 23 23 ASN N N 30 113.854 113.854 116.662 -2.808 18514 2896 1 11 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.677 -0.091 18514 2897 1 11 . 1 1 23 23 ASN C C 30 174.972 174.972 176.344 -1.372 18514 2898 1 11 . 1 1 23 23 ASN CA C 30 51.476 51.476 52.236 -0.760 18514 2899 1 11 . 1 1 23 23 ASN CB C 30 41.353 41.353 39.816 1.537 18514 2900 1 11 . 1 1 23 23 ASN H H 30 6.816 6.816 7.642 -0.826 18514 2901 1 11 . 1 1 24 24 SER N N 31 113.788 113.788 114.772 -0.984 18514 2902 1 11 . 1 1 24 24 SER HA H 31 4.172 4.172 4.308 -0.136 18514 2903 1 11 . 1 1 24 24 SER C C 31 174.820 174.820 174.837 -0.017 18514 2904 1 11 . 1 1 24 24 SER CA C 31 61.080 61.080 60.784 0.296 18514 2905 1 11 . 1 1 24 24 SER CB C 31 63.425 63.425 62.904 0.521 18514 2906 1 11 . 1 1 24 24 SER H H 31 8.873 8.873 8.724 0.149 18514 2907 1 11 . 1 1 25 25 ARG N N 32 119.696 119.696 118.309 1.387 18514 2908 1 11 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.361 -0.154 18514 2909 1 11 . 1 1 25 25 ARG C C 32 175.482 175.482 176.367 -0.885 18514 2910 1 11 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.358 1.661 18514 2911 1 11 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.115 -0.383 18514 2912 1 11 . 1 1 25 25 ARG H H 32 8.104 8.104 8.093 0.011 18514 2913 1 11 . 1 1 26 26 CYS N N 33 123.061 123.061 122.732 0.329 18514 2914 1 11 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.929 -0.242 18514 2915 1 11 . 1 1 26 26 CYS C C 33 173.064 173.064 174.107 -1.043 18514 2916 1 11 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.311 -0.611 18514 2917 1 11 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.380 3.574 18514 2918 1 11 . 1 1 26 26 CYS H H 33 7.766 7.766 7.815 -0.049 18514 2919 1 11 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.265 0.027 18514 2920 1 11 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.269 -1.003 18514 2921 1 11 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.567 0.591 18514 2922 1 11 . 1 1 28 28 CYS N N 35 129.050 129.050 117.324 11.726 18514 2923 1 11 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.422 -0.792 18514 2924 1 11 . 1 1 28 28 CYS C C 35 171.254 171.254 177.373 -6.119 18514 2925 1 11 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.879 -0.294 18514 2926 1 11 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.665 3.582 18514 2927 1 11 . 1 1 28 28 CYS H H 35 8.368 8.368 7.878 0.490 18514 2928 1 11 . 1 1 29 29 TYR N N 36 124.364 124.364 120.812 3.552 18514 2929 1 11 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.171 -0.111 18514 2930 1 11 . 1 1 29 29 TYR C C 36 172.650 172.650 177.440 -4.790 18514 2931 1 11 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.395 0.726 18514 2932 1 11 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.493 -0.572 18514 2933 1 11 . 1 1 29 29 TYR H H 36 8.197 8.197 7.888 0.309 18514 2934 1 11 . 1 1 30 30 LYS N N 37 117.214 117.214 116.946 0.268 18514 2935 1 11 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.904 -0.125 18514 2936 1 11 . 1 1 30 30 LYS C C 37 172.650 172.650 177.363 -4.713 18514 2937 1 11 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.536 0.860 18514 2938 1 11 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.419 0.214 18514 2939 1 11 . 1 1 30 30 LYS H H 37 8.441 8.441 7.480 0.961 18514 2940 1 11 . 1 1 31 31 SER N N 38 109.671 109.671 112.898 -3.227 18514 2941 1 11 . 1 1 31 31 SER HA H 38 4.348 4.348 4.229 0.119 18514 2942 1 11 . 1 1 31 31 SER C C 38 173.566 173.566 173.407 0.159 18514 2943 1 11 . 1 1 31 31 SER CA C 38 56.469 56.469 58.397 -1.928 18514 2944 1 11 . 1 1 31 31 SER CB C 38 63.461 63.461 63.800 -0.339 18514 2945 1 11 . 1 1 31 31 SER H H 38 7.180 7.180 7.623 -0.443 18514 2946 1 11 . 1 1 32 32 TYR N N 39 116.096 116.096 115.115 0.981 18514 2947 1 11 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.500 -0.413 18514 2948 1 11 . 1 1 32 32 TYR C C 39 176.728 176.728 174.258 2.470 18514 2949 1 11 . 1 1 32 32 TYR CA C 39 58.616 58.616 58.670 -0.054 18514 2950 1 11 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.430 0.120 18514 2951 1 11 . 1 1 32 32 TYR H H 39 7.410 7.410 7.073 0.337 18514 2952 1 11 . 1 1 33 33 ASN N N 40 116.549 116.549 117.754 -1.205 18514 2953 1 11 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.838 0.165 18514 2954 1 11 . 1 1 33 33 ASN C C 40 176.083 176.083 174.182 1.901 18514 2955 1 11 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.708 -0.564 18514 2956 1 11 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.191 3.363 18514 2957 1 11 . 1 1 33 33 ASN H H 40 8.257 8.257 8.056 0.201 18514 2958 1 11 . 1 1 34 34 SER N N 41 115.071 115.071 115.130 -0.059 18514 2959 1 11 . 1 1 34 34 SER HA H 41 4.477 4.477 4.631 -0.154 18514 2960 1 11 . 1 1 34 34 SER C C 41 174.850 174.850 174.794 0.056 18514 2961 1 11 . 1 1 34 34 SER CA C 41 57.625 57.625 57.318 0.307 18514 2962 1 11 . 1 1 34 34 SER CB C 41 65.000 65.000 65.511 -0.511 18514 2963 1 11 . 1 1 34 34 SER H H 41 8.720 8.720 8.180 0.540 18514 2964 1 11 . 1 1 35 35 CYS N N 42 115.950 115.950 121.668 -5.718 18514 2965 1 11 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.741 0.939 18514 2966 1 11 . 1 1 35 35 CYS C C 42 174.850 174.850 175.856 -1.006 18514 2967 1 11 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.758 1.026 18514 2968 1 11 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.938 7.010 18514 2969 1 11 . 1 1 35 35 CYS H H 42 8.696 8.696 9.086 -0.390 18514 2970 1 11 . 1 1 36 36 ALA N N 43 124.417 124.417 124.040 0.377 18514 2971 1 11 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.275 -0.058 18514 2972 1 11 . 1 1 36 36 ALA C C 43 173.572 173.572 177.052 -3.480 18514 2973 1 11 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.725 1.604 18514 2974 1 11 . 1 1 36 36 ALA CB C 43 17.835 17.835 17.745 0.090 18514 2975 1 11 . 1 1 36 36 ALA H H 43 8.002 8.002 8.132 -0.130 18514 2976 1 11 . 1 1 37 37 GLY N N 44 113.524 113.524 111.481 2.043 18514 2977 1 11 . 1 1 37 37 GLY C C 44 170.263 170.263 174.891 -4.628 18514 2978 1 11 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.568 1.149 18514 2979 1 11 . 1 1 37 37 GLY H H 44 8.932 8.932 8.168 0.764 18514 2980 1 11 . 1 1 38 38 CYS N N 45 120.184 120.184 119.217 0.967 18514 2981 1 11 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.453 -0.377 18514 2982 1 11 . 1 1 38 38 CYS C C 45 170.263 170.263 175.001 -4.738 18514 2983 1 11 . 1 1 38 38 CYS CA C 45 61.886 61.886 60.093 1.793 18514 2984 1 11 . 1 1 38 38 CYS CB C 45 33.622 33.622 27.810 5.812 18514 2985 1 11 . 1 1 38 38 CYS H H 45 7.641 7.641 7.580 0.061 18514 2986 1 11 . 1 1 39 39 HIS N N 46 118.156 118.156 118.913 -0.757 18514 2987 1 11 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.707 0.343 18514 2988 1 11 . 1 1 39 39 HIS C C 46 174.223 174.223 175.197 -0.974 18514 2989 1 11 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.752 -1.263 18514 2990 1 11 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.646 0.042 18514 2991 1 11 . 1 1 39 39 HIS H H 46 8.234 8.234 8.684 -0.450 18514 2992 1 11 . 1 1 40 40 CYS N N 47 118.354 118.354 117.184 1.170 18514 2993 1 11 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.908 -0.086 18514 2994 1 11 . 1 1 40 40 CYS C C 47 176.296 176.296 175.316 0.980 18514 2995 1 11 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.113 -1.517 18514 2996 1 11 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.381 5.856 18514 2997 1 11 . 1 1 40 40 CYS H H 47 7.403 7.403 7.787 -0.384 18514 2998 1 11 . 1 1 41 41 VAL N N 48 118.968 118.968 125.286 -6.318 18514 2999 1 11 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.207 0.024 18514 3000 1 11 . 1 1 41 41 VAL C C 48 174.265 174.265 176.640 -2.375 18514 3001 1 11 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.621 -0.390 18514 3002 1 11 . 1 1 41 41 VAL CB C 48 34.698 34.698 31.752 2.946 18514 3003 1 11 . 1 1 41 41 VAL H H 48 8.205 8.205 8.783 -0.578 18514 3004 1 11 . 1 1 42 42 GLY N N 49 115.726 115.726 116.554 -0.828 18514 3005 1 11 . 1 1 42 42 GLY C C 49 174.223 174.223 174.060 0.163 18514 3006 1 11 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.346 0.767 18514 3007 1 11 . 1 1 42 42 GLY H H 49 8.634 8.634 8.790 -0.156 18514 3008 1 11 . 1 1 43 43 CYS N N 50 119.917 119.917 117.483 2.434 18514 3009 1 11 . 1 1 43 43 CYS HA H 50 3.157 3.157 5.014 -1.857 18514 3010 1 11 . 1 1 43 43 CYS C C 50 173.428 173.428 175.752 -2.324 18514 3011 1 11 . 1 1 43 43 CYS CA C 50 63.346 63.346 56.111 7.235 18514 3012 1 11 . 1 1 43 43 CYS CB C 50 33.126 33.126 28.799 4.327 18514 3013 1 11 . 1 1 43 43 CYS H H 50 7.670 7.670 8.203 -0.533 18514 3014 1 11 . 1 1 44 44 LYS N N 51 128.057 128.057 127.374 0.683 18514 3015 1 11 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.376 0.222 18514 3016 1 11 . 1 1 44 44 LYS C C 51 171.776 171.776 175.165 -3.389 18514 3017 1 11 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.841 -0.805 18514 3018 1 11 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.354 0.371 18514 3019 1 11 . 1 1 44 44 LYS H H 51 7.934 7.934 8.341 -0.407 18514 3020 1 11 . 1 1 45 45 ASN N N 52 125.259 125.259 123.475 1.784 18514 3021 1 11 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.099 -0.332 18514 3022 1 11 . 1 1 45 45 ASN C C 52 171.776 171.776 174.283 -2.507 18514 3023 1 11 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.827 2.423 18514 3024 1 11 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.864 -0.344 18514 3025 1 11 . 1 1 45 45 ASN H H 52 9.076 9.076 8.000 1.076 18514 3026 1 11 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.337 0.126 18514 3027 1 11 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.071 -0.940 18514 3028 1 11 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.178 0.153 18514 3029 1 11 . 1 1 47 47 HIS N N 54 121.186 121.186 118.762 2.424 18514 3030 1 11 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.628 -0.114 18514 3031 1 11 . 1 1 47 47 HIS C C 54 172.204 172.204 174.594 -2.390 18514 3032 1 11 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.356 -0.052 18514 3033 1 11 . 1 1 47 47 HIS CB C 54 27.908 27.908 30.682 -2.774 18514 3034 1 11 . 1 1 47 47 HIS H H 54 8.236 8.236 8.711 -0.475 18514 3035 1 11 . 1 1 48 48 LYS N N 55 123.556 123.556 122.286 1.270 18514 3036 1 11 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.482 -0.021 18514 3037 1 11 . 1 1 48 48 LYS C C 55 175.066 175.066 175.896 -0.830 18514 3038 1 11 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.119 0.201 18514 3039 1 11 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.635 -0.529 18514 3040 1 11 . 1 1 48 48 LYS H H 55 8.470 8.470 8.265 0.205 18514 3041 1 11 . 1 1 49 49 GLU N N 56 121.100 121.100 122.667 -1.567 18514 3042 1 11 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.254 0.097 18514 3043 1 11 . 1 1 49 49 GLU C C 56 173.210 173.210 175.612 -2.402 18514 3044 1 11 . 1 1 49 49 GLU CA C 56 56.363 56.363 57.428 -1.065 18514 3045 1 11 . 1 1 49 49 GLU CB C 56 30.623 30.623 30.249 0.374 18514 3046 1 11 . 1 1 49 49 GLU H H 56 8.523 8.523 8.503 0.020 18514 3047 1 11 . 1 1 50 50 ASP N N 57 121.579 121.579 123.919 -2.340 18514 3048 1 11 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.730 -0.061 18514 3049 1 11 . 1 1 50 50 ASP C C 57 173.845 173.845 174.765 -0.920 18514 3050 1 11 . 1 1 50 50 ASP CA C 57 54.291 54.291 53.024 1.267 18514 3051 1 11 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.561 -1.109 18514 3052 1 11 . 1 1 50 50 ASP H H 57 8.396 8.396 8.318 0.078 18514 3053 1 11 . 1 1 51 51 TYR N N 58 120.844 120.844 122.009 -1.165 18514 3054 1 11 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.518 -0.001 18514 3055 1 11 . 1 1 51 51 TYR C C 58 173.968 173.968 174.628 -0.660 18514 3056 1 11 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.062 -0.266 18514 3057 1 11 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.818 1.140 18514 3058 1 11 . 1 1 51 51 TYR H H 58 8.176 8.176 8.632 -0.456 18514 3059 1 12 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.671 0.112 18514 3060 1 12 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.478 -0.671 18514 3061 1 12 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.050 -0.259 18514 3062 1 12 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.509 -0.106 18514 3063 1 12 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.803 -0.069 18514 3064 1 12 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.370 -0.482 18514 3065 1 12 . 1 1 4 4 LYS N N 11 124.307 124.307 122.051 2.256 18514 3066 1 12 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.581 -0.066 18514 3067 1 12 . 1 1 4 4 LYS C C 11 173.272 173.272 174.835 -1.563 18514 3068 1 12 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.621 -0.340 18514 3069 1 12 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.005 -0.085 18514 3070 1 12 . 1 1 4 4 LYS H H 11 8.380 8.380 8.143 0.237 18514 3071 1 12 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.393 0.043 18514 3072 1 12 . 1 1 5 5 PRO C C 12 127.380 127.380 175.178 -47.798 18514 3073 1 12 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.120 -0.327 18514 3074 1 12 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.319 -0.237 18514 3075 1 12 . 1 1 6 6 LYS N N 13 118.851 118.851 120.239 -1.388 18514 3076 1 12 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.598 0.549 18514 3077 1 12 . 1 1 6 6 LYS C C 13 173.408 173.408 175.744 -2.336 18514 3078 1 12 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.525 -0.068 18514 3079 1 12 . 1 1 6 6 LYS CB C 13 34.841 34.841 36.221 -1.380 18514 3080 1 12 . 1 1 6 6 LYS H H 13 8.064 8.064 8.139 -0.075 18514 3081 1 12 . 1 1 7 7 CYS N N 14 127.385 127.385 118.224 9.161 18514 3082 1 12 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.896 0.332 18514 3083 1 12 . 1 1 7 7 CYS C C 14 173.408 173.408 174.454 -1.046 18514 3084 1 12 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.855 -0.263 18514 3085 1 12 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.646 3.215 18514 3086 1 12 . 1 1 7 7 CYS H H 14 9.943 9.943 8.532 1.411 18514 3087 1 12 . 1 1 8 8 ARG N N 15 117.940 117.940 120.845 -2.905 18514 3088 1 12 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.719 -0.373 18514 3089 1 12 . 1 1 8 8 ARG C C 15 175.808 175.808 175.989 -0.181 18514 3090 1 12 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.324 -0.953 18514 3091 1 12 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.961 0.770 18514 3092 1 12 . 1 1 8 8 ARG H H 15 8.835 8.835 8.591 0.244 18514 3093 1 12 . 1 1 9 9 CYS N N 16 122.323 122.323 117.267 5.056 18514 3094 1 12 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.323 -0.299 18514 3095 1 12 . 1 1 9 9 CYS C C 16 174.360 174.360 175.995 -1.635 18514 3096 1 12 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.094 -0.855 18514 3097 1 12 . 1 1 9 9 CYS CB C 16 32.451 32.451 27.462 4.989 18514 3098 1 12 . 1 1 9 9 CYS H H 16 7.433 7.433 8.371 -0.938 18514 3099 1 12 . 1 1 10 10 GLY N N 17 108.065 108.065 110.326 -2.261 18514 3100 1 12 . 1 1 10 10 GLY C C 17 174.518 174.518 175.629 -1.111 18514 3101 1 12 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.945 -0.385 18514 3102 1 12 . 1 1 10 10 GLY H H 17 8.788 8.788 8.863 -0.075 18514 3103 1 12 . 1 1 11 11 ILE N N 18 118.990 118.990 120.258 -1.268 18514 3104 1 12 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.898 0.079 18514 3105 1 12 . 1 1 11 11 ILE C C 18 173.820 173.820 175.723 -1.903 18514 3106 1 12 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.272 0.318 18514 3107 1 12 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.047 0.677 18514 3108 1 12 . 1 1 11 11 ILE H H 18 7.557 7.557 7.602 -0.045 18514 3109 1 12 . 1 1 12 12 SER N N 19 116.128 116.128 115.490 0.638 18514 3110 1 12 . 1 1 12 12 SER HA H 19 4.510 4.510 4.676 -0.166 18514 3111 1 12 . 1 1 12 12 SER C C 19 172.948 172.948 174.081 -1.133 18514 3112 1 12 . 1 1 12 12 SER CA C 19 58.200 58.200 57.816 0.384 18514 3113 1 12 . 1 1 12 12 SER CB C 19 63.800 63.800 62.474 1.326 18514 3114 1 12 . 1 1 12 12 SER H H 19 8.418 8.418 7.859 0.559 18514 3115 1 12 . 1 1 13 13 GLY N N 20 110.984 110.984 111.084 -0.100 18514 3116 1 12 . 1 1 13 13 GLY C C 20 172.948 172.948 174.891 -1.943 18514 3117 1 12 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.967 0.431 18514 3118 1 12 . 1 1 13 13 GLY H H 20 8.243 8.243 8.511 -0.268 18514 3119 1 12 . 1 1 14 14 SER N N 21 114.951 114.951 117.731 -2.780 18514 3120 1 12 . 1 1 14 14 SER HA H 21 4.535 4.535 4.336 0.199 18514 3121 1 12 . 1 1 14 14 SER C C 21 175.376 175.376 175.779 -0.403 18514 3122 1 12 . 1 1 14 14 SER CA C 21 57.930 57.930 60.944 -3.014 18514 3123 1 12 . 1 1 14 14 SER CB C 21 64.080 64.080 63.426 0.654 18514 3124 1 12 . 1 1 14 14 SER H H 21 8.250 8.250 8.337 -0.087 18514 3125 1 12 . 1 1 15 15 SER N N 22 118.334 118.334 114.534 3.800 18514 3126 1 12 . 1 1 15 15 SER HA H 22 4.449 4.449 4.480 -0.031 18514 3127 1 12 . 1 1 15 15 SER C C 22 174.863 174.863 174.128 0.735 18514 3128 1 12 . 1 1 15 15 SER CA C 22 57.767 57.767 58.936 -1.169 18514 3129 1 12 . 1 1 15 15 SER CB C 22 63.598 63.598 63.604 -0.006 18514 3130 1 12 . 1 1 15 15 SER H H 22 8.427 8.427 8.009 0.418 18514 3131 1 12 . 1 1 16 16 ASN N N 23 120.784 120.784 119.691 1.093 18514 3132 1 12 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.976 -0.166 18514 3133 1 12 . 1 1 16 16 ASN C C 23 175.364 175.364 175.358 0.006 18514 3134 1 12 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.068 1.106 18514 3135 1 12 . 1 1 16 16 ASN CB C 23 38.467 38.467 37.748 0.719 18514 3136 1 12 . 1 1 16 16 ASN H H 23 8.453 8.453 8.297 0.156 18514 3137 1 12 . 1 1 17 17 THR N N 24 115.660 115.660 117.843 -2.183 18514 3138 1 12 . 1 1 17 17 THR HA H 24 4.346 4.346 4.464 -0.118 18514 3139 1 12 . 1 1 17 17 THR C C 24 173.428 173.428 174.611 -1.183 18514 3140 1 12 . 1 1 17 17 THR CA C 24 62.126 62.126 65.168 -3.042 18514 3141 1 12 . 1 1 17 17 THR CB C 24 68.777 68.777 69.798 -1.021 18514 3142 1 12 . 1 1 17 17 THR H H 24 8.417 8.417 7.953 0.464 18514 3143 1 12 . 1 1 18 18 LEU N N 25 121.190 121.190 118.997 2.193 18514 3144 1 12 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.617 -0.323 18514 3145 1 12 . 1 1 18 18 LEU C C 25 173.951 173.951 177.385 -3.434 18514 3146 1 12 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.865 -0.617 18514 3147 1 12 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.856 -0.549 18514 3148 1 12 . 1 1 18 18 LEU H H 25 8.218 8.218 8.117 0.101 18514 3149 1 12 . 1 1 19 19 THR N N 26 106.988 106.988 109.499 -2.511 18514 3150 1 12 . 1 1 19 19 THR HA H 26 4.230 4.230 4.144 0.086 18514 3151 1 12 . 1 1 19 19 THR C C 26 171.429 171.429 175.535 -4.106 18514 3152 1 12 . 1 1 19 19 THR CA C 26 60.631 60.631 62.800 -2.169 18514 3153 1 12 . 1 1 19 19 THR CB C 26 68.296 68.296 69.032 -0.736 18514 3154 1 12 . 1 1 19 19 THR H H 26 7.791 7.791 8.178 -0.387 18514 3155 1 12 . 1 1 20 20 THR N N 27 121.441 121.441 117.788 3.653 18514 3156 1 12 . 1 1 20 20 THR HA H 27 3.976 3.976 4.265 -0.289 18514 3157 1 12 . 1 1 20 20 THR C C 27 175.121 175.121 175.903 -0.782 18514 3158 1 12 . 1 1 20 20 THR CA C 27 68.900 68.900 65.435 3.465 18514 3159 1 12 . 1 1 20 20 THR CB C 27 65.100 65.100 68.758 -3.658 18514 3160 1 12 . 1 1 20 20 THR H H 27 7.370 7.370 8.154 -0.784 18514 3161 1 12 . 1 1 21 21 CYS N N 28 121.174 121.174 116.022 5.152 18514 3162 1 12 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.505 -0.495 18514 3163 1 12 . 1 1 21 21 CYS C C 28 174.930 174.930 174.626 0.304 18514 3164 1 12 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.654 1.155 18514 3165 1 12 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.371 5.386 18514 3166 1 12 . 1 1 21 21 CYS H H 28 9.321 9.321 8.257 1.064 18514 3167 1 12 . 1 1 22 22 ARG N N 29 115.643 115.643 118.150 -2.507 18514 3168 1 12 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.881 -0.658 18514 3169 1 12 . 1 1 22 22 ARG C C 29 177.619 177.619 174.295 3.324 18514 3170 1 12 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.909 -3.079 18514 3171 1 12 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.735 1.533 18514 3172 1 12 . 1 1 22 22 ARG H H 29 7.880 7.880 8.042 -0.162 18514 3173 1 12 . 1 1 23 23 ASN N N 30 113.854 113.854 114.716 -0.862 18514 3174 1 12 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.551 0.035 18514 3175 1 12 . 1 1 23 23 ASN C C 30 174.972 174.972 175.207 -0.235 18514 3176 1 12 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.641 -0.165 18514 3177 1 12 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.585 0.768 18514 3178 1 12 . 1 1 23 23 ASN H H 30 6.816 6.816 7.126 -0.310 18514 3179 1 12 . 1 1 24 24 SER N N 31 113.788 113.788 114.485 -0.697 18514 3180 1 12 . 1 1 24 24 SER HA H 31 4.172 4.172 4.504 -0.332 18514 3181 1 12 . 1 1 24 24 SER C C 31 174.820 174.820 174.991 -0.171 18514 3182 1 12 . 1 1 24 24 SER CA C 31 61.080 61.080 60.431 0.649 18514 3183 1 12 . 1 1 24 24 SER CB C 31 63.425 63.425 62.961 0.465 18514 3184 1 12 . 1 1 24 24 SER H H 31 8.873 8.873 8.747 0.126 18514 3185 1 12 . 1 1 25 25 ARG N N 32 119.696 119.696 118.466 1.230 18514 3186 1 12 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.414 -0.207 18514 3187 1 12 . 1 1 25 25 ARG C C 32 175.482 175.482 175.963 -0.481 18514 3188 1 12 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.463 1.555 18514 3189 1 12 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.367 -0.635 18514 3190 1 12 . 1 1 25 25 ARG H H 32 8.104 8.104 8.172 -0.068 18514 3191 1 12 . 1 1 26 26 CYS N N 33 123.061 123.061 122.802 0.259 18514 3192 1 12 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.030 -0.343 18514 3193 1 12 . 1 1 26 26 CYS C C 33 173.064 173.064 173.986 -0.922 18514 3194 1 12 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.072 -0.372 18514 3195 1 12 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.355 3.599 18514 3196 1 12 . 1 1 26 26 CYS H H 33 7.766 7.766 7.872 -0.106 18514 3197 1 12 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.273 0.019 18514 3198 1 12 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.364 -1.098 18514 3199 1 12 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.617 0.541 18514 3200 1 12 . 1 1 28 28 CYS N N 35 129.050 129.050 115.944 13.106 18514 3201 1 12 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.159 -0.529 18514 3202 1 12 . 1 1 28 28 CYS C C 35 171.254 171.254 176.610 -5.356 18514 3203 1 12 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.452 -0.867 18514 3204 1 12 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.704 3.543 18514 3205 1 12 . 1 1 28 28 CYS H H 35 8.368 8.368 8.220 0.148 18514 3206 1 12 . 1 1 29 29 TYR N N 36 124.364 124.364 120.742 3.622 18514 3207 1 12 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.931 0.129 18514 3208 1 12 . 1 1 29 29 TYR C C 36 172.650 172.650 176.917 -4.267 18514 3209 1 12 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.318 0.803 18514 3210 1 12 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.484 -0.563 18514 3211 1 12 . 1 1 29 29 TYR H H 36 8.197 8.197 7.735 0.462 18514 3212 1 12 . 1 1 30 30 LYS N N 37 117.214 117.214 116.178 1.036 18514 3213 1 12 . 1 1 30 30 LYS HA H 37 3.779 3.779 4.063 -0.284 18514 3214 1 12 . 1 1 30 30 LYS C C 37 172.650 172.650 178.386 -5.736 18514 3215 1 12 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.739 0.657 18514 3216 1 12 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.677 -0.045 18514 3217 1 12 . 1 1 30 30 LYS H H 37 8.441 8.441 7.862 0.579 18514 3218 1 12 . 1 1 31 31 SER N N 38 109.671 109.671 113.848 -4.177 18514 3219 1 12 . 1 1 31 31 SER HA H 38 4.348 4.348 4.569 -0.221 18514 3220 1 12 . 1 1 31 31 SER C C 38 173.566 173.566 173.733 -0.167 18514 3221 1 12 . 1 1 31 31 SER CA C 38 56.469 56.469 58.677 -2.208 18514 3222 1 12 . 1 1 31 31 SER CB C 38 63.461 63.461 63.603 -0.143 18514 3223 1 12 . 1 1 31 31 SER H H 38 7.180 7.180 7.831 -0.651 18514 3224 1 12 . 1 1 32 32 TYR N N 39 116.096 116.096 116.751 -0.655 18514 3225 1 12 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.471 -0.384 18514 3226 1 12 . 1 1 32 32 TYR C C 39 176.728 176.728 174.195 2.533 18514 3227 1 12 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.559 -0.943 18514 3228 1 12 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.123 -0.573 18514 3229 1 12 . 1 1 32 32 TYR H H 39 7.410 7.410 7.286 0.124 18514 3230 1 12 . 1 1 33 33 ASN N N 40 116.549 116.549 116.473 0.076 18514 3231 1 12 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.232 -0.229 18514 3232 1 12 . 1 1 33 33 ASN C C 40 176.083 176.083 174.108 1.975 18514 3233 1 12 . 1 1 33 33 ASN CA C 40 52.144 52.144 51.869 0.275 18514 3234 1 12 . 1 1 33 33 ASN CB C 40 43.554 43.554 42.765 0.789 18514 3235 1 12 . 1 1 33 33 ASN H H 40 8.257 8.257 8.033 0.224 18514 3236 1 12 . 1 1 34 34 SER N N 41 115.071 115.071 115.165 -0.094 18514 3237 1 12 . 1 1 34 34 SER HA H 41 4.477 4.477 4.928 -0.451 18514 3238 1 12 . 1 1 34 34 SER C C 41 174.850 174.850 174.865 -0.015 18514 3239 1 12 . 1 1 34 34 SER CA C 41 57.625 57.625 57.156 0.469 18514 3240 1 12 . 1 1 34 34 SER CB C 41 65.000 65.000 64.777 0.223 18514 3241 1 12 . 1 1 34 34 SER H H 41 8.720 8.720 8.174 0.546 18514 3242 1 12 . 1 1 35 35 CYS N N 42 115.950 115.950 122.334 -6.384 18514 3243 1 12 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.626 1.054 18514 3244 1 12 . 1 1 35 35 CYS C C 42 174.850 174.850 175.027 -0.177 18514 3245 1 12 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.368 1.416 18514 3246 1 12 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.613 7.335 18514 3247 1 12 . 1 1 35 35 CYS H H 42 8.696 8.696 9.004 -0.308 18514 3248 1 12 . 1 1 36 36 ALA N N 43 124.417 124.417 127.431 -3.014 18514 3249 1 12 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.521 -0.304 18514 3250 1 12 . 1 1 36 36 ALA C C 43 173.572 173.572 177.037 -3.465 18514 3251 1 12 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.497 2.832 18514 3252 1 12 . 1 1 36 36 ALA CB C 43 17.835 17.835 20.429 -2.594 18514 3253 1 12 . 1 1 36 36 ALA H H 43 8.002 8.002 7.780 0.222 18514 3254 1 12 . 1 1 37 37 GLY N N 44 113.524 113.524 111.412 2.112 18514 3255 1 12 . 1 1 37 37 GLY C C 44 170.263 170.263 174.417 -4.154 18514 3256 1 12 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.119 0.598 18514 3257 1 12 . 1 1 37 37 GLY H H 44 8.932 8.932 8.709 0.223 18514 3258 1 12 . 1 1 38 38 CYS N N 45 120.184 120.184 118.138 2.046 18514 3259 1 12 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.595 -0.519 18514 3260 1 12 . 1 1 38 38 CYS C C 45 170.263 170.263 174.945 -4.682 18514 3261 1 12 . 1 1 38 38 CYS CA C 45 61.886 61.886 57.661 4.225 18514 3262 1 12 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.835 3.787 18514 3263 1 12 . 1 1 38 38 CYS H H 45 7.641 7.641 7.845 -0.204 18514 3264 1 12 . 1 1 39 39 HIS N N 46 118.156 118.156 118.254 -0.098 18514 3265 1 12 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.730 0.320 18514 3266 1 12 . 1 1 39 39 HIS C C 46 174.223 174.223 175.296 -1.073 18514 3267 1 12 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.779 -1.290 18514 3268 1 12 . 1 1 39 39 HIS CB C 46 29.688 29.688 30.143 -0.455 18514 3269 1 12 . 1 1 39 39 HIS H H 46 8.234 8.234 9.137 -0.903 18514 3270 1 12 . 1 1 40 40 CYS N N 47 118.354 118.354 117.662 0.692 18514 3271 1 12 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.939 -0.117 18514 3272 1 12 . 1 1 40 40 CYS C C 47 176.296 176.296 175.241 1.055 18514 3273 1 12 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.962 -1.365 18514 3274 1 12 . 1 1 40 40 CYS CB C 47 33.238 33.238 26.611 6.627 18514 3275 1 12 . 1 1 40 40 CYS H H 47 7.403 7.403 7.931 -0.528 18514 3276 1 12 . 1 1 41 41 VAL N N 48 118.968 118.968 125.160 -6.192 18514 3277 1 12 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.182 0.049 18514 3278 1 12 . 1 1 41 41 VAL C C 48 174.265 174.265 176.495 -2.230 18514 3279 1 12 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.878 -0.647 18514 3280 1 12 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.601 2.097 18514 3281 1 12 . 1 1 41 41 VAL H H 48 8.205 8.205 8.805 -0.600 18514 3282 1 12 . 1 1 42 42 GLY N N 49 115.726 115.726 114.370 1.356 18514 3283 1 12 . 1 1 42 42 GLY C C 49 174.223 174.223 174.167 0.056 18514 3284 1 12 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.296 0.817 18514 3285 1 12 . 1 1 42 42 GLY H H 49 8.634 8.634 8.551 0.083 18514 3286 1 12 . 1 1 43 43 CYS N N 50 119.917 119.917 119.946 -0.029 18514 3287 1 12 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.330 -1.173 18514 3288 1 12 . 1 1 43 43 CYS C C 50 173.428 173.428 174.865 -1.437 18514 3289 1 12 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.713 4.633 18514 3290 1 12 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.188 6.938 18514 3291 1 12 . 1 1 43 43 CYS H H 50 7.670 7.670 8.379 -0.709 18514 3292 1 12 . 1 1 44 44 LYS N N 51 128.057 128.057 130.504 -2.447 18514 3293 1 12 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.426 0.172 18514 3294 1 12 . 1 1 44 44 LYS C C 51 171.776 171.776 174.768 -2.992 18514 3295 1 12 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.960 -0.924 18514 3296 1 12 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.482 -0.757 18514 3297 1 12 . 1 1 44 44 LYS H H 51 7.934 7.934 8.353 -0.419 18514 3298 1 12 . 1 1 45 45 ASN N N 52 125.259 125.259 121.830 3.429 18514 3299 1 12 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.011 -0.244 18514 3300 1 12 . 1 1 45 45 ASN C C 52 171.776 171.776 175.051 -3.275 18514 3301 1 12 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.471 2.779 18514 3302 1 12 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.666 -0.146 18514 3303 1 12 . 1 1 45 45 ASN H H 52 9.076 9.076 8.165 0.911 18514 3304 1 12 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.327 0.136 18514 3305 1 12 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.800 -0.669 18514 3306 1 12 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.150 0.181 18514 3307 1 12 . 1 1 47 47 HIS N N 54 121.186 121.186 121.151 0.035 18514 3308 1 12 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.438 0.076 18514 3309 1 12 . 1 1 47 47 HIS C C 54 172.204 172.204 174.116 -1.912 18514 3310 1 12 . 1 1 47 47 HIS CA C 54 56.304 56.304 57.120 -0.815 18514 3311 1 12 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.466 -1.558 18514 3312 1 12 . 1 1 47 47 HIS H H 54 8.236 8.236 8.004 0.233 18514 3313 1 12 . 1 1 48 48 LYS N N 55 123.556 123.556 125.058 -1.502 18514 3314 1 12 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.495 -0.034 18514 3315 1 12 . 1 1 48 48 LYS C C 55 175.066 175.066 175.640 -0.574 18514 3316 1 12 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.725 0.595 18514 3317 1 12 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.227 0.879 18514 3318 1 12 . 1 1 48 48 LYS H H 55 8.470 8.470 7.770 0.700 18514 3319 1 12 . 1 1 49 49 GLU N N 56 121.100 121.100 125.110 -4.010 18514 3320 1 12 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.122 0.229 18514 3321 1 12 . 1 1 49 49 GLU C C 56 173.210 173.210 176.318 -3.108 18514 3322 1 12 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.827 -0.464 18514 3323 1 12 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.457 1.166 18514 3324 1 12 . 1 1 49 49 GLU H H 56 8.523 8.523 8.642 -0.119 18514 3325 1 12 . 1 1 50 50 ASP N N 57 121.579 121.579 121.361 0.218 18514 3326 1 12 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.401 0.268 18514 3327 1 12 . 1 1 50 50 ASP C C 57 173.845 173.845 176.094 -2.249 18514 3328 1 12 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.876 -0.585 18514 3329 1 12 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.248 0.204 18514 3330 1 12 . 1 1 50 50 ASP H H 57 8.396 8.396 8.545 -0.149 18514 3331 1 12 . 1 1 51 51 TYR N N 58 120.844 120.844 117.930 2.914 18514 3332 1 12 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.561 -0.044 18514 3333 1 12 . 1 1 51 51 TYR C C 58 173.968 173.968 175.276 -1.308 18514 3334 1 12 . 1 1 51 51 TYR CA C 58 57.796 57.796 56.566 1.230 18514 3335 1 12 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.278 0.680 18514 3336 1 12 . 1 1 51 51 TYR H H 58 8.176 8.176 7.567 0.609 18514 3337 1 13 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.847 -0.064 18514 3338 1 13 . 1 1 2 2 PRO CA C 9 61.807 61.807 61.957 -0.150 18514 3339 1 13 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.491 -0.701 18514 3340 1 13 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.538 -0.135 18514 3341 1 13 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.648 0.086 18514 3342 1 13 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.695 -0.807 18514 3343 1 13 . 1 1 4 4 LYS N N 11 124.307 124.307 122.349 1.958 18514 3344 1 13 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.714 -0.199 18514 3345 1 13 . 1 1 4 4 LYS C C 11 173.272 173.272 174.751 -1.479 18514 3346 1 13 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.160 0.121 18514 3347 1 13 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.602 -1.682 18514 3348 1 13 . 1 1 4 4 LYS H H 11 8.380 8.380 8.236 0.144 18514 3349 1 13 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.457 -0.021 18514 3350 1 13 . 1 1 5 5 PRO C C 12 127.380 127.380 176.174 -48.794 18514 3351 1 13 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.500 0.293 18514 3352 1 13 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.438 -0.356 18514 3353 1 13 . 1 1 6 6 LYS N N 13 118.851 118.851 119.077 -0.226 18514 3354 1 13 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.521 0.626 18514 3355 1 13 . 1 1 6 6 LYS C C 13 173.408 173.408 175.796 -2.388 18514 3356 1 13 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.959 -0.502 18514 3357 1 13 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.197 -0.356 18514 3358 1 13 . 1 1 6 6 LYS H H 13 8.064 8.064 8.323 -0.259 18514 3359 1 13 . 1 1 7 7 CYS N N 14 127.385 127.385 118.406 8.979 18514 3360 1 13 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.858 0.370 18514 3361 1 13 . 1 1 7 7 CYS C C 14 173.408 173.408 173.925 -0.517 18514 3362 1 13 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.657 -0.065 18514 3363 1 13 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.710 3.151 18514 3364 1 13 . 1 1 7 7 CYS H H 14 9.943 9.943 8.219 1.724 18514 3365 1 13 . 1 1 8 8 ARG N N 15 117.940 117.940 118.922 -0.982 18514 3366 1 13 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.738 -0.392 18514 3367 1 13 . 1 1 8 8 ARG C C 15 175.808 175.808 175.860 -0.052 18514 3368 1 13 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.386 -1.015 18514 3369 1 13 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.814 -0.083 18514 3370 1 13 . 1 1 8 8 ARG H H 15 8.835 8.835 8.651 0.184 18514 3371 1 13 . 1 1 9 9 CYS N N 16 122.323 122.323 118.387 3.936 18514 3372 1 13 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.374 -0.350 18514 3373 1 13 . 1 1 9 9 CYS C C 16 174.360 174.360 176.258 -1.898 18514 3374 1 13 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.764 -0.525 18514 3375 1 13 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.172 7.279 18514 3376 1 13 . 1 1 9 9 CYS H H 16 7.433 7.433 8.431 -0.998 18514 3377 1 13 . 1 1 10 10 GLY N N 17 108.065 108.065 116.339 -8.274 18514 3378 1 13 . 1 1 10 10 GLY C C 17 174.518 174.518 174.612 -0.094 18514 3379 1 13 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.575 -0.015 18514 3380 1 13 . 1 1 10 10 GLY H H 17 8.788 8.788 9.186 -0.398 18514 3381 1 13 . 1 1 11 11 ILE N N 18 118.990 118.990 121.165 -2.175 18514 3382 1 13 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.194 -0.217 18514 3383 1 13 . 1 1 11 11 ILE C C 18 173.820 173.820 176.330 -2.510 18514 3384 1 13 . 1 1 11 11 ILE CA C 18 63.590 63.590 60.955 2.635 18514 3385 1 13 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.647 0.077 18514 3386 1 13 . 1 1 11 11 ILE H H 18 7.557 7.557 8.121 -0.564 18514 3387 1 13 . 1 1 12 12 SER N N 19 116.128 116.128 115.304 0.824 18514 3388 1 13 . 1 1 12 12 SER HA H 19 4.510 4.510 4.225 0.285 18514 3389 1 13 . 1 1 12 12 SER C C 19 172.948 172.948 175.861 -2.913 18514 3390 1 13 . 1 1 12 12 SER CA C 19 58.200 58.200 60.316 -2.116 18514 3391 1 13 . 1 1 12 12 SER CB C 19 63.800 63.800 63.482 0.318 18514 3392 1 13 . 1 1 12 12 SER H H 19 8.418 8.418 7.906 0.512 18514 3393 1 13 . 1 1 13 13 GLY N N 20 110.984 110.984 110.756 0.228 18514 3394 1 13 . 1 1 13 13 GLY C C 20 172.948 172.948 174.186 -1.238 18514 3395 1 13 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.740 0.658 18514 3396 1 13 . 1 1 13 13 GLY H H 20 8.243 8.243 8.406 -0.163 18514 3397 1 13 . 1 1 14 14 SER N N 21 114.951 114.951 121.944 -6.993 18514 3398 1 13 . 1 1 14 14 SER HA H 21 4.535 4.535 4.634 -0.099 18514 3399 1 13 . 1 1 14 14 SER C C 21 175.376 175.376 172.987 2.389 18514 3400 1 13 . 1 1 14 14 SER CA C 21 57.930 57.930 58.646 -0.716 18514 3401 1 13 . 1 1 14 14 SER CB C 21 64.080 64.080 62.219 1.861 18514 3402 1 13 . 1 1 14 14 SER H H 21 8.250 8.250 8.428 -0.178 18514 3403 1 13 . 1 1 15 15 SER N N 22 118.334 118.334 118.901 -0.567 18514 3404 1 13 . 1 1 15 15 SER HA H 22 4.449 4.449 4.668 -0.219 18514 3405 1 13 . 1 1 15 15 SER C C 22 174.863 174.863 173.406 1.457 18514 3406 1 13 . 1 1 15 15 SER CA C 22 57.767 57.767 57.583 0.184 18514 3407 1 13 . 1 1 15 15 SER CB C 22 63.598 63.598 66.761 -3.163 18514 3408 1 13 . 1 1 15 15 SER H H 22 8.427 8.427 7.864 0.563 18514 3409 1 13 . 1 1 16 16 ASN N N 23 120.784 120.784 123.919 -3.135 18514 3410 1 13 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.774 0.036 18514 3411 1 13 . 1 1 16 16 ASN C C 23 175.364 175.364 176.679 -1.315 18514 3412 1 13 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.525 -0.351 18514 3413 1 13 . 1 1 16 16 ASN CB C 23 38.467 38.467 39.079 -0.612 18514 3414 1 13 . 1 1 16 16 ASN H H 23 8.453 8.453 8.868 -0.415 18514 3415 1 13 . 1 1 17 17 THR N N 24 115.660 115.660 116.218 -0.558 18514 3416 1 13 . 1 1 17 17 THR HA H 24 4.346 4.346 4.064 0.282 18514 3417 1 13 . 1 1 17 17 THR C C 24 173.428 173.428 176.144 -2.716 18514 3418 1 13 . 1 1 17 17 THR CA C 24 62.126 62.126 66.611 -4.485 18514 3419 1 13 . 1 1 17 17 THR CB C 24 68.777 68.777 68.854 -0.077 18514 3420 1 13 . 1 1 17 17 THR H H 24 8.417 8.417 8.468 -0.051 18514 3421 1 13 . 1 1 18 18 LEU N N 25 121.190 121.190 115.743 5.447 18514 3422 1 13 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.533 -0.239 18514 3423 1 13 . 1 1 18 18 LEU C C 25 173.951 173.951 177.517 -3.566 18514 3424 1 13 . 1 1 18 18 LEU CA C 25 56.248 56.248 57.376 -1.128 18514 3425 1 13 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.180 1.127 18514 3426 1 13 . 1 1 18 18 LEU H H 25 8.218 8.218 7.677 0.541 18514 3427 1 13 . 1 1 19 19 THR N N 26 106.988 106.988 114.870 -7.882 18514 3428 1 13 . 1 1 19 19 THR HA H 26 4.230 4.230 4.450 -0.220 18514 3429 1 13 . 1 1 19 19 THR C C 26 171.429 171.429 174.517 -3.088 18514 3430 1 13 . 1 1 19 19 THR CA C 26 60.631 60.631 62.107 -1.476 18514 3431 1 13 . 1 1 19 19 THR CB C 26 68.296 68.296 67.252 1.044 18514 3432 1 13 . 1 1 19 19 THR H H 26 7.791 7.791 8.152 -0.361 18514 3433 1 13 . 1 1 20 20 THR N N 27 121.441 121.441 118.601 2.840 18514 3434 1 13 . 1 1 20 20 THR HA H 27 3.976 3.976 4.216 -0.240 18514 3435 1 13 . 1 1 20 20 THR C C 27 175.121 175.121 175.800 -0.679 18514 3436 1 13 . 1 1 20 20 THR CA C 27 68.900 68.900 65.901 2.999 18514 3437 1 13 . 1 1 20 20 THR CB C 27 65.100 65.100 68.843 -3.743 18514 3438 1 13 . 1 1 20 20 THR H H 27 7.370 7.370 7.677 -0.307 18514 3439 1 13 . 1 1 21 21 CYS N N 28 121.174 121.174 116.554 4.620 18514 3440 1 13 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.540 -0.530 18514 3441 1 13 . 1 1 21 21 CYS C C 28 174.930 174.930 175.534 -0.604 18514 3442 1 13 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.793 1.016 18514 3443 1 13 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.286 5.471 18514 3444 1 13 . 1 1 21 21 CYS H H 28 9.321 9.321 8.503 0.818 18514 3445 1 13 . 1 1 22 22 ARG N N 29 115.643 115.643 119.079 -3.436 18514 3446 1 13 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.793 -0.570 18514 3447 1 13 . 1 1 22 22 ARG C C 29 177.619 177.619 174.186 3.433 18514 3448 1 13 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.125 -3.295 18514 3449 1 13 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.324 0.944 18514 3450 1 13 . 1 1 22 22 ARG H H 29 7.880 7.880 8.338 -0.458 18514 3451 1 13 . 1 1 23 23 ASN N N 30 113.854 113.854 114.851 -0.997 18514 3452 1 13 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.589 -0.003 18514 3453 1 13 . 1 1 23 23 ASN C C 30 174.972 174.972 176.304 -1.332 18514 3454 1 13 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.773 -0.297 18514 3455 1 13 . 1 1 23 23 ASN CB C 30 41.353 41.353 39.808 1.545 18514 3456 1 13 . 1 1 23 23 ASN H H 30 6.816 6.816 7.218 -0.402 18514 3457 1 13 . 1 1 24 24 SER N N 31 113.788 113.788 114.132 -0.344 18514 3458 1 13 . 1 1 24 24 SER HA H 31 4.172 4.172 4.436 -0.264 18514 3459 1 13 . 1 1 24 24 SER C C 31 174.820 174.820 175.322 -0.502 18514 3460 1 13 . 1 1 24 24 SER CA C 31 61.080 61.080 60.650 0.430 18514 3461 1 13 . 1 1 24 24 SER CB C 31 63.425 63.425 62.935 0.490 18514 3462 1 13 . 1 1 24 24 SER H H 31 8.873 8.873 8.715 0.158 18514 3463 1 13 . 1 1 25 25 ARG N N 32 119.696 119.696 119.322 0.374 18514 3464 1 13 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.429 -0.222 18514 3465 1 13 . 1 1 25 25 ARG C C 32 175.482 175.482 176.016 -0.534 18514 3466 1 13 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.179 0.839 18514 3467 1 13 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.392 -0.660 18514 3468 1 13 . 1 1 25 25 ARG H H 32 8.104 8.104 8.135 -0.031 18514 3469 1 13 . 1 1 26 26 CYS N N 33 123.061 123.061 122.630 0.431 18514 3470 1 13 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.009 -0.322 18514 3471 1 13 . 1 1 26 26 CYS C C 33 173.064 173.064 173.581 -0.517 18514 3472 1 13 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.597 0.103 18514 3473 1 13 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.252 3.702 18514 3474 1 13 . 1 1 26 26 CYS H H 33 7.766 7.766 7.654 0.112 18514 3475 1 13 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.295 -0.003 18514 3476 1 13 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.387 -1.121 18514 3477 1 13 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.596 0.562 18514 3478 1 13 . 1 1 28 28 CYS N N 35 129.050 129.050 116.115 12.935 18514 3479 1 13 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.212 -0.582 18514 3480 1 13 . 1 1 28 28 CYS C C 35 171.254 171.254 176.814 -5.560 18514 3481 1 13 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.405 -0.820 18514 3482 1 13 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.889 3.358 18514 3483 1 13 . 1 1 28 28 CYS H H 35 8.368 8.368 8.127 0.241 18514 3484 1 13 . 1 1 29 29 TYR N N 36 124.364 124.364 122.010 2.354 18514 3485 1 13 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.101 -0.041 18514 3486 1 13 . 1 1 29 29 TYR C C 36 172.650 172.650 178.083 -5.433 18514 3487 1 13 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.377 0.744 18514 3488 1 13 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.323 -0.402 18514 3489 1 13 . 1 1 29 29 TYR H H 36 8.197 8.197 7.766 0.431 18514 3490 1 13 . 1 1 30 30 LYS N N 37 117.214 117.214 118.994 -1.780 18514 3491 1 13 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.834 -0.055 18514 3492 1 13 . 1 1 30 30 LYS C C 37 172.650 172.650 177.164 -4.514 18514 3493 1 13 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.593 -0.197 18514 3494 1 13 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.430 0.202 18514 3495 1 13 . 1 1 30 30 LYS H H 37 8.441 8.441 8.458 -0.017 18514 3496 1 13 . 1 1 31 31 SER N N 38 109.671 109.671 113.376 -3.705 18514 3497 1 13 . 1 1 31 31 SER HA H 38 4.348 4.348 4.571 -0.223 18514 3498 1 13 . 1 1 31 31 SER C C 38 173.566 173.566 173.518 0.048 18514 3499 1 13 . 1 1 31 31 SER CA C 38 56.469 56.469 58.141 -1.671 18514 3500 1 13 . 1 1 31 31 SER CB C 38 63.461 63.461 63.623 -0.163 18514 3501 1 13 . 1 1 31 31 SER H H 38 7.180 7.180 7.456 -0.276 18514 3502 1 13 . 1 1 32 32 TYR N N 39 116.096 116.096 114.794 1.302 18514 3503 1 13 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.235 -0.148 18514 3504 1 13 . 1 1 32 32 TYR C C 39 176.728 176.728 174.137 2.591 18514 3505 1 13 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.406 -0.790 18514 3506 1 13 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.810 -0.260 18514 3507 1 13 . 1 1 32 32 TYR H H 39 7.410 7.410 7.409 0.001 18514 3508 1 13 . 1 1 33 33 ASN N N 40 116.549 116.549 117.518 -0.969 18514 3509 1 13 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.998 0.005 18514 3510 1 13 . 1 1 33 33 ASN C C 40 176.083 176.083 174.320 1.763 18514 3511 1 13 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.301 -0.157 18514 3512 1 13 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.723 1.831 18514 3513 1 13 . 1 1 33 33 ASN H H 40 8.257 8.257 8.037 0.220 18514 3514 1 13 . 1 1 34 34 SER N N 41 115.071 115.071 114.145 0.926 18514 3515 1 13 . 1 1 34 34 SER HA H 41 4.477 4.477 4.762 -0.285 18514 3516 1 13 . 1 1 34 34 SER C C 41 174.850 174.850 175.044 -0.194 18514 3517 1 13 . 1 1 34 34 SER CA C 41 57.625 57.625 57.784 -0.159 18514 3518 1 13 . 1 1 34 34 SER CB C 41 65.000 65.000 64.643 0.357 18514 3519 1 13 . 1 1 34 34 SER H H 41 8.720 8.720 8.339 0.381 18514 3520 1 13 . 1 1 35 35 CYS N N 42 115.950 115.950 122.402 -6.452 18514 3521 1 13 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.683 0.997 18514 3522 1 13 . 1 1 35 35 CYS C C 42 174.850 174.850 174.848 0.002 18514 3523 1 13 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.913 0.870 18514 3524 1 13 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.661 7.287 18514 3525 1 13 . 1 1 35 35 CYS H H 42 8.696 8.696 9.068 -0.372 18514 3526 1 13 . 1 1 36 36 ALA N N 43 124.417 124.417 127.492 -3.075 18514 3527 1 13 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.520 -0.303 18514 3528 1 13 . 1 1 36 36 ALA C C 43 173.572 173.572 177.560 -3.988 18514 3529 1 13 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.683 2.646 18514 3530 1 13 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.669 -0.834 18514 3531 1 13 . 1 1 36 36 ALA H H 43 8.002 8.002 7.924 0.078 18514 3532 1 13 . 1 1 37 37 GLY N N 44 113.524 113.524 111.846 1.678 18514 3533 1 13 . 1 1 37 37 GLY C C 44 170.263 170.263 174.067 -3.804 18514 3534 1 13 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.941 0.777 18514 3535 1 13 . 1 1 37 37 GLY H H 44 8.932 8.932 8.746 0.186 18514 3536 1 13 . 1 1 38 38 CYS N N 45 120.184 120.184 117.914 2.270 18514 3537 1 13 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.446 -0.370 18514 3538 1 13 . 1 1 38 38 CYS C C 45 170.263 170.263 174.910 -4.647 18514 3539 1 13 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.013 3.873 18514 3540 1 13 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.943 4.679 18514 3541 1 13 . 1 1 38 38 CYS H H 45 7.641 7.641 7.901 -0.260 18514 3542 1 13 . 1 1 39 39 HIS N N 46 118.156 118.156 118.573 -0.417 18514 3543 1 13 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.778 0.272 18514 3544 1 13 . 1 1 39 39 HIS C C 46 174.223 174.223 175.288 -1.065 18514 3545 1 13 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.779 -1.290 18514 3546 1 13 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.803 -0.115 18514 3547 1 13 . 1 1 39 39 HIS H H 46 8.234 8.234 9.187 -0.953 18514 3548 1 13 . 1 1 40 40 CYS N N 47 118.354 118.354 117.055 1.299 18514 3549 1 13 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.643 0.179 18514 3550 1 13 . 1 1 40 40 CYS C C 47 176.296 176.296 174.936 1.360 18514 3551 1 13 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.210 -1.614 18514 3552 1 13 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.583 5.655 18514 3553 1 13 . 1 1 40 40 CYS H H 47 7.403 7.403 7.918 -0.515 18514 3554 1 13 . 1 1 41 41 VAL N N 48 118.968 118.968 124.394 -5.426 18514 3555 1 13 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.248 -0.017 18514 3556 1 13 . 1 1 41 41 VAL C C 48 174.265 174.265 176.143 -1.878 18514 3557 1 13 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.464 -0.233 18514 3558 1 13 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.143 2.555 18514 3559 1 13 . 1 1 41 41 VAL H H 48 8.205 8.205 8.894 -0.689 18514 3560 1 13 . 1 1 42 42 GLY N N 49 115.726 115.726 115.412 0.314 18514 3561 1 13 . 1 1 42 42 GLY C C 49 174.223 174.223 174.266 -0.043 18514 3562 1 13 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.050 1.063 18514 3563 1 13 . 1 1 42 42 GLY H H 49 8.634 8.634 8.629 0.005 18514 3564 1 13 . 1 1 43 43 CYS N N 50 119.917 119.917 119.996 -0.079 18514 3565 1 13 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.446 -1.289 18514 3566 1 13 . 1 1 43 43 CYS C C 50 173.428 173.428 174.659 -1.231 18514 3567 1 13 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.281 5.065 18514 3568 1 13 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.124 6.002 18514 3569 1 13 . 1 1 43 43 CYS H H 50 7.670 7.670 8.344 -0.674 18514 3570 1 13 . 1 1 44 44 LYS N N 51 128.057 128.057 129.918 -1.861 18514 3571 1 13 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.420 0.178 18514 3572 1 13 . 1 1 44 44 LYS C C 51 171.776 171.776 174.572 -2.796 18514 3573 1 13 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.867 -0.831 18514 3574 1 13 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.679 -0.954 18514 3575 1 13 . 1 1 44 44 LYS H H 51 7.934 7.934 8.402 -0.468 18514 3576 1 13 . 1 1 45 45 ASN N N 52 125.259 125.259 122.441 2.818 18514 3577 1 13 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.052 -0.285 18514 3578 1 13 . 1 1 45 45 ASN C C 52 171.776 171.776 173.984 -2.208 18514 3579 1 13 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.930 2.320 18514 3580 1 13 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.003 -0.483 18514 3581 1 13 . 1 1 45 45 ASN H H 52 9.076 9.076 8.302 0.774 18514 3582 1 13 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.371 0.092 18514 3583 1 13 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.055 -0.924 18514 3584 1 13 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.997 0.334 18514 3585 1 13 . 1 1 47 47 HIS N N 54 121.186 121.186 119.084 2.102 18514 3586 1 13 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.649 -0.135 18514 3587 1 13 . 1 1 47 47 HIS C C 54 172.204 172.204 174.008 -1.804 18514 3588 1 13 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.570 -0.266 18514 3589 1 13 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.027 -0.119 18514 3590 1 13 . 1 1 47 47 HIS H H 54 8.236 8.236 8.934 -0.698 18514 3591 1 13 . 1 1 48 48 LYS N N 55 123.556 123.556 122.468 1.088 18514 3592 1 13 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.510 -0.049 18514 3593 1 13 . 1 1 48 48 LYS C C 55 175.066 175.066 175.590 -0.524 18514 3594 1 13 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.794 0.526 18514 3595 1 13 . 1 1 48 48 LYS CB C 55 34.106 34.106 36.135 -2.029 18514 3596 1 13 . 1 1 48 48 LYS H H 55 8.470 8.470 7.919 0.551 18514 3597 1 13 . 1 1 49 49 GLU N N 56 121.100 121.100 121.991 -0.891 18514 3598 1 13 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.273 0.078 18514 3599 1 13 . 1 1 49 49 GLU C C 56 173.210 173.210 176.027 -2.817 18514 3600 1 13 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.429 -0.066 18514 3601 1 13 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.183 1.440 18514 3602 1 13 . 1 1 49 49 GLU H H 56 8.523 8.523 8.639 -0.116 18514 3603 1 13 . 1 1 50 50 ASP N N 57 121.579 121.579 127.324 -5.745 18514 3604 1 13 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.649 0.020 18514 3605 1 13 . 1 1 50 50 ASP C C 57 173.845 173.845 175.058 -1.213 18514 3606 1 13 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.526 -0.235 18514 3607 1 13 . 1 1 50 50 ASP CB C 57 41.452 41.452 39.483 1.969 18514 3608 1 13 . 1 1 50 50 ASP H H 57 8.396 8.396 8.680 -0.284 18514 3609 1 13 . 1 1 51 51 TYR N N 58 120.844 120.844 124.161 -3.317 18514 3610 1 13 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.784 -0.267 18514 3611 1 13 . 1 1 51 51 TYR C C 58 173.968 173.968 173.876 0.092 18514 3612 1 13 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.547 0.249 18514 3613 1 13 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.811 -0.853 18514 3614 1 13 . 1 1 51 51 TYR H H 58 8.176 8.176 8.021 0.155 18514 3615 1 14 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.851 -0.068 18514 3616 1 14 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.016 -0.208 18514 3617 1 14 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.517 -0.726 18514 3618 1 14 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.479 -0.076 18514 3619 1 14 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.702 0.033 18514 3620 1 14 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.398 -0.510 18514 3621 1 14 . 1 1 4 4 LYS N N 11 124.307 124.307 125.012 -0.705 18514 3622 1 14 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.357 0.158 18514 3623 1 14 . 1 1 4 4 LYS C C 11 173.272 173.272 175.409 -2.137 18514 3624 1 14 . 1 1 4 4 LYS CA C 11 54.281 54.281 55.199 -0.918 18514 3625 1 14 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.850 0.070 18514 3626 1 14 . 1 1 4 4 LYS H H 11 8.380 8.380 8.334 0.046 18514 3627 1 14 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.332 0.104 18514 3628 1 14 . 1 1 5 5 PRO C C 12 127.380 127.380 175.634 -48.254 18514 3629 1 14 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.050 -0.257 18514 3630 1 14 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.124 -0.042 18514 3631 1 14 . 1 1 6 6 LYS N N 13 118.851 118.851 118.829 0.022 18514 3632 1 14 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.579 0.568 18514 3633 1 14 . 1 1 6 6 LYS C C 13 173.408 173.408 175.647 -2.239 18514 3634 1 14 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.921 -0.464 18514 3635 1 14 . 1 1 6 6 LYS CB C 13 34.841 34.841 33.554 1.287 18514 3636 1 14 . 1 1 6 6 LYS H H 13 8.064 8.064 8.276 -0.212 18514 3637 1 14 . 1 1 7 7 CYS N N 14 127.385 127.385 121.313 6.072 18514 3638 1 14 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.989 0.239 18514 3639 1 14 . 1 1 7 7 CYS C C 14 173.408 173.408 174.781 -1.373 18514 3640 1 14 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.476 0.116 18514 3641 1 14 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.759 4.102 18514 3642 1 14 . 1 1 7 7 CYS H H 14 9.943 9.943 8.603 1.340 18514 3643 1 14 . 1 1 8 8 ARG N N 15 117.940 117.940 118.940 -1.000 18514 3644 1 14 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.761 -0.415 18514 3645 1 14 . 1 1 8 8 ARG C C 15 175.808 175.808 176.228 -0.420 18514 3646 1 14 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.246 -0.875 18514 3647 1 14 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.181 1.550 18514 3648 1 14 . 1 1 8 8 ARG H H 15 8.835 8.835 8.728 0.107 18514 3649 1 14 . 1 1 9 9 CYS N N 16 122.323 122.323 118.128 4.195 18514 3650 1 14 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.944 -0.920 18514 3651 1 14 . 1 1 9 9 CYS C C 16 174.360 174.360 176.379 -2.019 18514 3652 1 14 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.666 -0.427 18514 3653 1 14 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.917 6.534 18514 3654 1 14 . 1 1 9 9 CYS H H 16 7.433 7.433 8.303 -0.870 18514 3655 1 14 . 1 1 10 10 GLY N N 17 108.065 108.065 115.936 -7.871 18514 3656 1 14 . 1 1 10 10 GLY C C 17 174.518 174.518 174.740 -0.222 18514 3657 1 14 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.568 -0.008 18514 3658 1 14 . 1 1 10 10 GLY H H 17 8.788 8.788 9.328 -0.540 18514 3659 1 14 . 1 1 11 11 ILE N N 18 118.990 118.990 121.055 -2.065 18514 3660 1 14 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.059 -0.082 18514 3661 1 14 . 1 1 11 11 ILE C C 18 173.820 173.820 176.044 -2.224 18514 3662 1 14 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.314 0.276 18514 3663 1 14 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.879 -0.155 18514 3664 1 14 . 1 1 11 11 ILE H H 18 7.557 7.557 7.969 -0.412 18514 3665 1 14 . 1 1 12 12 SER N N 19 116.128 116.128 112.999 3.129 18514 3666 1 14 . 1 1 12 12 SER HA H 19 4.510 4.510 4.711 -0.201 18514 3667 1 14 . 1 1 12 12 SER C C 19 172.948 172.948 172.887 0.061 18514 3668 1 14 . 1 1 12 12 SER CA C 19 58.200 58.200 57.804 0.396 18514 3669 1 14 . 1 1 12 12 SER CB C 19 63.800 63.800 66.405 -2.605 18514 3670 1 14 . 1 1 12 12 SER H H 19 8.418 8.418 7.675 0.743 18514 3671 1 14 . 1 1 13 13 GLY N N 20 110.984 110.984 110.374 0.610 18514 3672 1 14 . 1 1 13 13 GLY C C 20 172.948 172.948 172.628 0.320 18514 3673 1 14 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.062 0.336 18514 3674 1 14 . 1 1 13 13 GLY H H 20 8.243 8.243 8.201 0.042 18514 3675 1 14 . 1 1 14 14 SER N N 21 114.951 114.951 114.705 0.246 18514 3676 1 14 . 1 1 14 14 SER HA H 21 4.535 4.535 4.677 -0.142 18514 3677 1 14 . 1 1 14 14 SER C C 21 175.376 175.376 175.132 0.244 18514 3678 1 14 . 1 1 14 14 SER CA C 21 57.930 57.930 57.415 0.515 18514 3679 1 14 . 1 1 14 14 SER CB C 21 64.080 64.080 64.237 -0.157 18514 3680 1 14 . 1 1 14 14 SER H H 21 8.250 8.250 8.417 -0.167 18514 3681 1 14 . 1 1 15 15 SER N N 22 118.334 118.334 114.583 3.751 18514 3682 1 14 . 1 1 15 15 SER HA H 22 4.449 4.449 4.071 0.378 18514 3683 1 14 . 1 1 15 15 SER C C 22 174.863 174.863 174.306 0.557 18514 3684 1 14 . 1 1 15 15 SER CA C 22 57.767 57.767 59.428 -1.661 18514 3685 1 14 . 1 1 15 15 SER CB C 22 63.598 63.598 61.450 2.147 18514 3686 1 14 . 1 1 15 15 SER H H 22 8.427 8.427 8.802 -0.375 18514 3687 1 14 . 1 1 16 16 ASN N N 23 120.784 120.784 118.322 2.462 18514 3688 1 14 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.429 0.381 18514 3689 1 14 . 1 1 16 16 ASN C C 23 175.364 175.364 177.179 -1.815 18514 3690 1 14 . 1 1 16 16 ASN CA C 23 53.174 53.174 55.310 -2.136 18514 3691 1 14 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.590 -0.123 18514 3692 1 14 . 1 1 16 16 ASN H H 23 8.453 8.453 8.454 -0.001 18514 3693 1 14 . 1 1 17 17 THR N N 24 115.660 115.660 114.588 1.072 18514 3694 1 14 . 1 1 17 17 THR HA H 24 4.346 4.346 4.132 0.214 18514 3695 1 14 . 1 1 17 17 THR C C 24 173.428 173.428 175.674 -2.246 18514 3696 1 14 . 1 1 17 17 THR CA C 24 62.126 62.126 64.925 -2.800 18514 3697 1 14 . 1 1 17 17 THR CB C 24 68.777 68.777 68.857 -0.080 18514 3698 1 14 . 1 1 17 17 THR H H 24 8.417 8.417 8.221 0.196 18514 3699 1 14 . 1 1 18 18 LEU N N 25 121.190 121.190 119.616 1.574 18514 3700 1 14 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.505 -0.211 18514 3701 1 14 . 1 1 18 18 LEU C C 25 173.951 173.951 178.141 -4.190 18514 3702 1 14 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.901 0.347 18514 3703 1 14 . 1 1 18 18 LEU CB C 25 42.307 42.307 43.121 -0.814 18514 3704 1 14 . 1 1 18 18 LEU H H 25 8.218 8.218 7.797 0.421 18514 3705 1 14 . 1 1 19 19 THR N N 26 106.988 106.988 110.326 -3.338 18514 3706 1 14 . 1 1 19 19 THR HA H 26 4.230 4.230 4.507 -0.277 18514 3707 1 14 . 1 1 19 19 THR C C 26 171.429 171.429 174.493 -3.064 18514 3708 1 14 . 1 1 19 19 THR CA C 26 60.631 60.631 60.003 0.628 18514 3709 1 14 . 1 1 19 19 THR CB C 26 68.296 68.296 67.832 0.464 18514 3710 1 14 . 1 1 19 19 THR H H 26 7.791 7.791 7.842 -0.051 18514 3711 1 14 . 1 1 20 20 THR N N 27 121.441 121.441 119.518 1.923 18514 3712 1 14 . 1 1 20 20 THR HA H 27 3.976 3.976 4.117 -0.141 18514 3713 1 14 . 1 1 20 20 THR C C 27 175.121 175.121 175.718 -0.597 18514 3714 1 14 . 1 1 20 20 THR CA C 27 68.900 68.900 66.142 2.758 18514 3715 1 14 . 1 1 20 20 THR CB C 27 65.100 65.100 68.629 -3.529 18514 3716 1 14 . 1 1 20 20 THR H H 27 7.370 7.370 7.705 -0.335 18514 3717 1 14 . 1 1 21 21 CYS N N 28 121.174 121.174 116.683 4.491 18514 3718 1 14 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.579 -0.569 18514 3719 1 14 . 1 1 21 21 CYS C C 28 174.930 174.930 175.638 -0.708 18514 3720 1 14 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.031 0.778 18514 3721 1 14 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.216 5.541 18514 3722 1 14 . 1 1 21 21 CYS H H 28 9.321 9.321 8.526 0.795 18514 3723 1 14 . 1 1 22 22 ARG N N 29 115.643 115.643 118.639 -2.996 18514 3724 1 14 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.812 -0.589 18514 3725 1 14 . 1 1 22 22 ARG C C 29 177.619 177.619 174.826 2.793 18514 3726 1 14 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.350 -3.520 18514 3727 1 14 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.458 0.810 18514 3728 1 14 . 1 1 22 22 ARG H H 29 7.880 7.880 8.118 -0.238 18514 3729 1 14 . 1 1 23 23 ASN N N 30 113.854 113.854 115.952 -2.098 18514 3730 1 14 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.591 -0.005 18514 3731 1 14 . 1 1 23 23 ASN C C 30 174.972 174.972 175.883 -0.911 18514 3732 1 14 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.464 0.012 18514 3733 1 14 . 1 1 23 23 ASN CB C 30 41.353 41.353 39.776 1.577 18514 3734 1 14 . 1 1 23 23 ASN H H 30 6.816 6.816 7.411 -0.595 18514 3735 1 14 . 1 1 24 24 SER N N 31 113.788 113.788 115.173 -1.385 18514 3736 1 14 . 1 1 24 24 SER HA H 31 4.172 4.172 4.495 -0.323 18514 3737 1 14 . 1 1 24 24 SER C C 31 174.820 174.820 174.918 -0.098 18514 3738 1 14 . 1 1 24 24 SER CA C 31 61.080 61.080 61.065 0.015 18514 3739 1 14 . 1 1 24 24 SER CB C 31 63.425 63.425 62.645 0.780 18514 3740 1 14 . 1 1 24 24 SER H H 31 8.873 8.873 8.910 -0.037 18514 3741 1 14 . 1 1 25 25 ARG N N 32 119.696 119.696 118.077 1.619 18514 3742 1 14 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.566 -0.359 18514 3743 1 14 . 1 1 25 25 ARG C C 32 175.482 175.482 175.844 -0.362 18514 3744 1 14 . 1 1 25 25 ARG CA C 32 57.018 57.018 54.724 2.294 18514 3745 1 14 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.404 -0.672 18514 3746 1 14 . 1 1 25 25 ARG H H 32 8.104 8.104 8.108 -0.004 18514 3747 1 14 . 1 1 26 26 CYS N N 33 123.061 123.061 123.550 -0.489 18514 3748 1 14 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.019 -0.332 18514 3749 1 14 . 1 1 26 26 CYS C C 33 173.064 173.064 174.151 -1.087 18514 3750 1 14 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.390 -0.690 18514 3751 1 14 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.262 3.692 18514 3752 1 14 . 1 1 26 26 CYS H H 33 7.766 7.766 7.976 -0.210 18514 3753 1 14 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.237 0.055 18514 3754 1 14 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.282 -1.016 18514 3755 1 14 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.709 0.449 18514 3756 1 14 . 1 1 28 28 CYS N N 35 129.050 129.050 115.996 13.054 18514 3757 1 14 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.222 -0.592 18514 3758 1 14 . 1 1 28 28 CYS C C 35 171.254 171.254 176.652 -5.398 18514 3759 1 14 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.171 -0.586 18514 3760 1 14 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.829 3.417 18514 3761 1 14 . 1 1 28 28 CYS H H 35 8.368 8.368 8.142 0.226 18514 3762 1 14 . 1 1 29 29 TYR N N 36 124.364 124.364 121.854 2.510 18514 3763 1 14 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.114 -0.054 18514 3764 1 14 . 1 1 29 29 TYR C C 36 172.650 172.650 178.027 -5.377 18514 3765 1 14 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.273 0.848 18514 3766 1 14 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.164 -0.243 18514 3767 1 14 . 1 1 29 29 TYR H H 36 8.197 8.197 7.952 0.245 18514 3768 1 14 . 1 1 30 30 LYS N N 37 117.214 117.214 118.930 -1.716 18514 3769 1 14 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.843 -0.064 18514 3770 1 14 . 1 1 30 30 LYS C C 37 172.650 172.650 178.171 -5.521 18514 3771 1 14 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.106 0.290 18514 3772 1 14 . 1 1 30 30 LYS CB C 37 32.632 32.632 31.873 0.759 18514 3773 1 14 . 1 1 30 30 LYS H H 37 8.441 8.441 8.098 0.343 18514 3774 1 14 . 1 1 31 31 SER N N 38 109.671 109.671 112.957 -3.286 18514 3775 1 14 . 1 1 31 31 SER HA H 38 4.348 4.348 4.464 -0.116 18514 3776 1 14 . 1 1 31 31 SER C C 38 173.566 173.566 174.131 -0.565 18514 3777 1 14 . 1 1 31 31 SER CA C 38 56.469 56.469 58.105 -1.636 18514 3778 1 14 . 1 1 31 31 SER CB C 38 63.461 63.461 63.503 -0.042 18514 3779 1 14 . 1 1 31 31 SER H H 38 7.180 7.180 7.560 -0.380 18514 3780 1 14 . 1 1 32 32 TYR N N 39 116.096 116.096 114.533 1.563 18514 3781 1 14 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.109 -0.022 18514 3782 1 14 . 1 1 32 32 TYR C C 39 176.728 176.728 173.872 2.856 18514 3783 1 14 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.397 -0.781 18514 3784 1 14 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.155 -0.605 18514 3785 1 14 . 1 1 32 32 TYR H H 39 7.410 7.410 7.413 -0.003 18514 3786 1 14 . 1 1 33 33 ASN N N 40 116.549 116.549 117.014 -0.465 18514 3787 1 14 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.952 0.051 18514 3788 1 14 . 1 1 33 33 ASN C C 40 176.083 176.083 174.267 1.816 18514 3789 1 14 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.641 -0.497 18514 3790 1 14 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.563 1.991 18514 3791 1 14 . 1 1 33 33 ASN H H 40 8.257 8.257 7.853 0.404 18514 3792 1 14 . 1 1 34 34 SER N N 41 115.071 115.071 114.950 0.121 18514 3793 1 14 . 1 1 34 34 SER HA H 41 4.477 4.477 4.765 -0.288 18514 3794 1 14 . 1 1 34 34 SER C C 41 174.850 174.850 175.226 -0.376 18514 3795 1 14 . 1 1 34 34 SER CA C 41 57.625 57.625 57.647 -0.022 18514 3796 1 14 . 1 1 34 34 SER CB C 41 65.000 65.000 64.711 0.289 18514 3797 1 14 . 1 1 34 34 SER H H 41 8.720 8.720 8.655 0.065 18514 3798 1 14 . 1 1 35 35 CYS N N 42 115.950 115.950 120.401 -4.451 18514 3799 1 14 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.821 0.859 18514 3800 1 14 . 1 1 35 35 CYS C C 42 174.850 174.850 174.829 0.021 18514 3801 1 14 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.735 1.049 18514 3802 1 14 . 1 1 35 35 CYS CB C 42 31.948 31.948 25.472 6.476 18514 3803 1 14 . 1 1 35 35 CYS H H 42 8.696 8.696 9.278 -0.582 18514 3804 1 14 . 1 1 36 36 ALA N N 43 124.417 124.417 122.929 1.488 18514 3805 1 14 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.142 0.075 18514 3806 1 14 . 1 1 36 36 ALA C C 43 173.572 173.572 177.532 -3.960 18514 3807 1 14 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.983 1.346 18514 3808 1 14 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.384 -0.549 18514 3809 1 14 . 1 1 36 36 ALA H H 43 8.002 8.002 8.192 -0.190 18514 3810 1 14 . 1 1 37 37 GLY N N 44 113.524 113.524 111.948 1.576 18514 3811 1 14 . 1 1 37 37 GLY C C 44 170.263 170.263 174.499 -4.236 18514 3812 1 14 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.495 1.222 18514 3813 1 14 . 1 1 37 37 GLY H H 44 8.932 8.932 8.532 0.400 18514 3814 1 14 . 1 1 38 38 CYS N N 45 120.184 120.184 118.557 1.627 18514 3815 1 14 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.558 -0.482 18514 3816 1 14 . 1 1 38 38 CYS C C 45 170.263 170.263 174.310 -4.047 18514 3817 1 14 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.294 3.592 18514 3818 1 14 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.173 4.449 18514 3819 1 14 . 1 1 38 38 CYS H H 45 7.641 7.641 7.949 -0.308 18514 3820 1 14 . 1 1 39 39 HIS N N 46 118.156 118.156 121.129 -2.973 18514 3821 1 14 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.769 0.281 18514 3822 1 14 . 1 1 39 39 HIS C C 46 174.223 174.223 175.009 -0.786 18514 3823 1 14 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.766 -1.277 18514 3824 1 14 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.872 -0.184 18514 3825 1 14 . 1 1 39 39 HIS H H 46 8.234 8.234 8.635 -0.401 18514 3826 1 14 . 1 1 40 40 CYS N N 47 118.354 118.354 117.579 0.775 18514 3827 1 14 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.862 -0.040 18514 3828 1 14 . 1 1 40 40 CYS C C 47 176.296 176.296 174.776 1.520 18514 3829 1 14 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.689 -1.093 18514 3830 1 14 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.565 5.673 18514 3831 1 14 . 1 1 40 40 CYS H H 47 7.403 7.403 7.907 -0.504 18514 3832 1 14 . 1 1 41 41 VAL N N 48 118.968 118.968 123.962 -4.994 18514 3833 1 14 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.244 -0.013 18514 3834 1 14 . 1 1 41 41 VAL C C 48 174.265 174.265 176.095 -1.830 18514 3835 1 14 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.431 -0.200 18514 3836 1 14 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.083 1.615 18514 3837 1 14 . 1 1 41 41 VAL H H 48 8.205 8.205 8.903 -0.698 18514 3838 1 14 . 1 1 42 42 GLY N N 49 115.726 115.726 114.610 1.116 18514 3839 1 14 . 1 1 42 42 GLY C C 49 174.223 174.223 174.273 -0.050 18514 3840 1 14 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.138 0.975 18514 3841 1 14 . 1 1 42 42 GLY H H 49 8.634 8.634 8.543 0.091 18514 3842 1 14 . 1 1 43 43 CYS N N 50 119.917 119.917 120.104 -0.187 18514 3843 1 14 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.309 -1.152 18514 3844 1 14 . 1 1 43 43 CYS C C 50 173.428 173.428 175.053 -1.625 18514 3845 1 14 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.565 4.782 18514 3846 1 14 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.065 7.061 18514 3847 1 14 . 1 1 43 43 CYS H H 50 7.670 7.670 8.297 -0.627 18514 3848 1 14 . 1 1 44 44 LYS N N 51 128.057 128.057 130.713 -2.656 18514 3849 1 14 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.358 0.240 18514 3850 1 14 . 1 1 44 44 LYS C C 51 171.776 171.776 175.049 -3.273 18514 3851 1 14 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.510 -0.473 18514 3852 1 14 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.627 0.098 18514 3853 1 14 . 1 1 44 44 LYS H H 51 7.934 7.934 8.243 -0.309 18514 3854 1 14 . 1 1 45 45 ASN N N 52 125.259 125.259 122.835 2.424 18514 3855 1 14 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.097 -0.330 18514 3856 1 14 . 1 1 45 45 ASN C C 52 171.776 171.776 174.094 -2.318 18514 3857 1 14 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.135 2.115 18514 3858 1 14 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.943 -0.423 18514 3859 1 14 . 1 1 45 45 ASN H H 52 9.076 9.076 8.044 1.032 18514 3860 1 14 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.385 0.078 18514 3861 1 14 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.878 -0.747 18514 3862 1 14 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.085 0.246 18514 3863 1 14 . 1 1 47 47 HIS N N 54 121.186 121.186 119.887 1.299 18514 3864 1 14 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.760 -0.246 18514 3865 1 14 . 1 1 47 47 HIS C C 54 172.204 172.204 174.379 -2.175 18514 3866 1 14 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.454 -0.150 18514 3867 1 14 . 1 1 47 47 HIS CB C 54 27.908 27.908 28.502 -0.594 18514 3868 1 14 . 1 1 47 47 HIS H H 54 8.236 8.236 8.655 -0.419 18514 3869 1 14 . 1 1 48 48 LYS N N 55 123.556 123.556 125.475 -1.919 18514 3870 1 14 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.520 -0.059 18514 3871 1 14 . 1 1 48 48 LYS C C 55 175.066 175.066 175.164 -0.098 18514 3872 1 14 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.860 0.460 18514 3873 1 14 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.273 0.833 18514 3874 1 14 . 1 1 48 48 LYS H H 55 8.470 8.470 7.843 0.627 18514 3875 1 14 . 1 1 49 49 GLU N N 56 121.100 121.100 121.832 -0.732 18514 3876 1 14 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.350 0.001 18514 3877 1 14 . 1 1 49 49 GLU C C 56 173.210 173.210 176.396 -3.186 18514 3878 1 14 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.739 -0.376 18514 3879 1 14 . 1 1 49 49 GLU CB C 56 30.623 30.623 30.659 -0.036 18514 3880 1 14 . 1 1 49 49 GLU H H 56 8.523 8.523 8.490 0.033 18514 3881 1 14 . 1 1 50 50 ASP N N 57 121.579 121.579 126.075 -4.496 18514 3882 1 14 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.657 0.012 18514 3883 1 14 . 1 1 50 50 ASP C C 57 173.845 173.845 175.241 -1.396 18514 3884 1 14 . 1 1 50 50 ASP CA C 57 54.291 54.291 53.397 0.894 18514 3885 1 14 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.232 1.220 18514 3886 1 14 . 1 1 50 50 ASP H H 57 8.396 8.396 8.694 -0.298 18514 3887 1 14 . 1 1 51 51 TYR N N 58 120.844 120.844 120.609 0.235 18514 3888 1 14 . 1 1 51 51 TYR HA H 58 4.517 4.517 5.006 -0.489 18514 3889 1 14 . 1 1 51 51 TYR C C 58 173.968 173.968 174.863 -0.895 18514 3890 1 14 . 1 1 51 51 TYR CA C 58 57.796 57.796 56.461 1.335 18514 3891 1 14 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.479 -0.521 18514 3892 1 14 . 1 1 51 51 TYR H H 58 8.176 8.176 7.895 0.281 18514 3893 1 15 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.782 0.001 18514 3894 1 15 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.139 -0.332 18514 3895 1 15 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.598 -0.807 18514 3896 1 15 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.609 -0.205 18514 3897 1 15 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.337 0.397 18514 3898 1 15 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.914 -1.026 18514 3899 1 15 . 1 1 4 4 LYS N N 11 124.307 124.307 121.024 3.283 18514 3900 1 15 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.506 0.009 18514 3901 1 15 . 1 1 4 4 LYS C C 11 173.272 173.272 175.097 -1.825 18514 3902 1 15 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.089 0.192 18514 3903 1 15 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.670 0.250 18514 3904 1 15 . 1 1 4 4 LYS H H 11 8.380 8.380 8.267 0.113 18514 3905 1 15 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.292 0.144 18514 3906 1 15 . 1 1 5 5 PRO C C 12 127.380 127.380 175.701 -48.321 18514 3907 1 15 . 1 1 5 5 PRO CA C 12 62.793 62.793 63.207 -0.414 18514 3908 1 15 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.120 -0.038 18514 3909 1 15 . 1 1 6 6 LYS N N 13 118.851 118.851 119.533 -0.682 18514 3910 1 15 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.654 0.493 18514 3911 1 15 . 1 1 6 6 LYS C C 13 173.408 173.408 175.288 -1.880 18514 3912 1 15 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.447 0.010 18514 3913 1 15 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.313 -0.472 18514 3914 1 15 . 1 1 6 6 LYS H H 13 8.064 8.064 8.152 -0.088 18514 3915 1 15 . 1 1 7 7 CYS N N 14 127.385 127.385 116.787 10.598 18514 3916 1 15 . 1 1 7 7 CYS HA H 14 5.228 5.228 5.117 0.111 18514 3917 1 15 . 1 1 7 7 CYS C C 14 173.408 173.408 173.419 -0.011 18514 3918 1 15 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.627 -0.035 18514 3919 1 15 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.335 3.526 18514 3920 1 15 . 1 1 7 7 CYS H H 14 9.943 9.943 8.572 1.371 18514 3921 1 15 . 1 1 8 8 ARG N N 15 117.940 117.940 117.798 0.142 18514 3922 1 15 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.618 -0.272 18514 3923 1 15 . 1 1 8 8 ARG C C 15 175.808 175.808 175.720 0.088 18514 3924 1 15 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.250 -0.879 18514 3925 1 15 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.390 1.341 18514 3926 1 15 . 1 1 8 8 ARG H H 15 8.835 8.835 8.488 0.347 18514 3927 1 15 . 1 1 9 9 CYS N N 16 122.323 122.323 118.623 3.700 18514 3928 1 15 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.478 -0.454 18514 3929 1 15 . 1 1 9 9 CYS C C 16 174.360 174.360 176.519 -2.159 18514 3930 1 15 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.013 -0.774 18514 3931 1 15 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.451 6.000 18514 3932 1 15 . 1 1 9 9 CYS H H 16 7.433 7.433 8.515 -1.082 18514 3933 1 15 . 1 1 10 10 GLY N N 17 108.065 108.065 113.427 -5.362 18514 3934 1 15 . 1 1 10 10 GLY C C 17 174.518 174.518 175.360 -0.842 18514 3935 1 15 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.165 -0.605 18514 3936 1 15 . 1 1 10 10 GLY H H 17 8.788 8.788 9.358 -0.570 18514 3937 1 15 . 1 1 11 11 ILE N N 18 118.990 118.990 121.397 -2.407 18514 3938 1 15 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.052 -0.075 18514 3939 1 15 . 1 1 11 11 ILE C C 18 173.820 173.820 176.303 -2.483 18514 3940 1 15 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.534 0.056 18514 3941 1 15 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.429 0.295 18514 3942 1 15 . 1 1 11 11 ILE H H 18 7.557 7.557 7.385 0.172 18514 3943 1 15 . 1 1 12 12 SER N N 19 116.128 116.128 114.510 1.618 18514 3944 1 15 . 1 1 12 12 SER HA H 19 4.510 4.510 4.642 -0.132 18514 3945 1 15 . 1 1 12 12 SER C C 19 172.948 172.948 175.171 -2.223 18514 3946 1 15 . 1 1 12 12 SER CA C 19 58.200 58.200 57.631 0.569 18514 3947 1 15 . 1 1 12 12 SER CB C 19 63.800 63.800 62.817 0.983 18514 3948 1 15 . 1 1 12 12 SER H H 19 8.418 8.418 8.322 0.096 18514 3949 1 15 . 1 1 13 13 GLY N N 20 110.984 110.984 114.265 -3.281 18514 3950 1 15 . 1 1 13 13 GLY C C 20 172.948 172.948 174.169 -1.221 18514 3951 1 15 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.601 -0.203 18514 3952 1 15 . 1 1 13 13 GLY H H 20 8.243 8.243 8.769 -0.526 18514 3953 1 15 . 1 1 14 14 SER N N 21 114.951 114.951 114.746 0.205 18514 3954 1 15 . 1 1 14 14 SER HA H 21 4.535 4.535 4.169 0.366 18514 3955 1 15 . 1 1 14 14 SER C C 21 175.376 175.376 175.177 0.199 18514 3956 1 15 . 1 1 14 14 SER CA C 21 57.930 57.930 59.178 -1.248 18514 3957 1 15 . 1 1 14 14 SER CB C 21 64.080 64.080 62.881 1.199 18514 3958 1 15 . 1 1 14 14 SER H H 21 8.250 8.250 8.408 -0.158 18514 3959 1 15 . 1 1 15 15 SER N N 22 118.334 118.334 117.688 0.646 18514 3960 1 15 . 1 1 15 15 SER HA H 22 4.449 4.449 4.341 0.108 18514 3961 1 15 . 1 1 15 15 SER C C 22 174.863 174.863 173.718 1.145 18514 3962 1 15 . 1 1 15 15 SER CA C 22 57.767 57.767 60.599 -2.832 18514 3963 1 15 . 1 1 15 15 SER CB C 22 63.598 63.598 63.777 -0.179 18514 3964 1 15 . 1 1 15 15 SER H H 22 8.427 8.427 8.694 -0.267 18514 3965 1 15 . 1 1 16 16 ASN N N 23 120.784 120.784 115.937 4.847 18514 3966 1 15 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.853 -0.043 18514 3967 1 15 . 1 1 16 16 ASN C C 23 175.364 175.364 173.957 1.407 18514 3968 1 15 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.123 0.051 18514 3969 1 15 . 1 1 16 16 ASN CB C 23 38.467 38.467 40.927 -2.460 18514 3970 1 15 . 1 1 16 16 ASN H H 23 8.453 8.453 7.732 0.721 18514 3971 1 15 . 1 1 17 17 THR N N 24 115.660 115.660 117.652 -1.992 18514 3972 1 15 . 1 1 17 17 THR HA H 24 4.346 4.346 4.185 0.161 18514 3973 1 15 . 1 1 17 17 THR C C 24 173.428 173.428 175.437 -2.009 18514 3974 1 15 . 1 1 17 17 THR CA C 24 62.126 62.126 65.585 -3.459 18514 3975 1 15 . 1 1 17 17 THR CB C 24 68.777 68.777 69.090 -0.313 18514 3976 1 15 . 1 1 17 17 THR H H 24 8.417 8.417 8.599 -0.182 18514 3977 1 15 . 1 1 18 18 LEU N N 25 121.190 121.190 119.817 1.373 18514 3978 1 15 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.340 -0.046 18514 3979 1 15 . 1 1 18 18 LEU C C 25 173.951 173.951 177.466 -3.515 18514 3980 1 15 . 1 1 18 18 LEU CA C 25 56.248 56.248 57.524 -1.276 18514 3981 1 15 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.155 0.152 18514 3982 1 15 . 1 1 18 18 LEU H H 25 8.218 8.218 8.666 -0.448 18514 3983 1 15 . 1 1 19 19 THR N N 26 106.988 106.988 114.675 -7.687 18514 3984 1 15 . 1 1 19 19 THR HA H 26 4.230 4.230 4.630 -0.400 18514 3985 1 15 . 1 1 19 19 THR C C 26 171.429 171.429 174.628 -3.199 18514 3986 1 15 . 1 1 19 19 THR CA C 26 60.631 60.631 61.609 -0.978 18514 3987 1 15 . 1 1 19 19 THR CB C 26 68.296 68.296 68.464 -0.168 18514 3988 1 15 . 1 1 19 19 THR H H 26 7.791 7.791 7.919 -0.128 18514 3989 1 15 . 1 1 20 20 THR N N 27 121.441 121.441 116.313 5.128 18514 3990 1 15 . 1 1 20 20 THR HA H 27 3.976 3.976 4.193 -0.217 18514 3991 1 15 . 1 1 20 20 THR C C 27 175.121 175.121 176.160 -1.039 18514 3992 1 15 . 1 1 20 20 THR CA C 27 68.900 68.900 65.471 3.429 18514 3993 1 15 . 1 1 20 20 THR CB C 27 65.100 65.100 68.465 -3.365 18514 3994 1 15 . 1 1 20 20 THR H H 27 7.370 7.370 8.140 -0.770 18514 3995 1 15 . 1 1 21 21 CYS N N 28 121.174 121.174 117.041 4.133 18514 3996 1 15 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.624 -0.614 18514 3997 1 15 . 1 1 21 21 CYS C C 28 174.930 174.930 176.030 -1.100 18514 3998 1 15 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.166 0.643 18514 3999 1 15 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.048 5.709 18514 4000 1 15 . 1 1 21 21 CYS H H 28 9.321 9.321 8.536 0.785 18514 4001 1 15 . 1 1 22 22 ARG N N 29 115.643 115.643 119.111 -3.468 18514 4002 1 15 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.222 -0.999 18514 4003 1 15 . 1 1 22 22 ARG C C 29 177.619 177.619 174.905 2.714 18514 4004 1 15 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.636 -3.806 18514 4005 1 15 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.800 0.468 18514 4006 1 15 . 1 1 22 22 ARG H H 29 7.880 7.880 7.713 0.167 18514 4007 1 15 . 1 1 23 23 ASN N N 30 113.854 113.854 116.115 -2.261 18514 4008 1 15 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.454 0.132 18514 4009 1 15 . 1 1 23 23 ASN C C 30 174.972 174.972 176.255 -1.283 18514 4010 1 15 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.646 -0.170 18514 4011 1 15 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.223 1.130 18514 4012 1 15 . 1 1 23 23 ASN H H 30 6.816 6.816 7.349 -0.533 18514 4013 1 15 . 1 1 24 24 SER N N 31 113.788 113.788 115.338 -1.550 18514 4014 1 15 . 1 1 24 24 SER HA H 31 4.172 4.172 4.400 -0.228 18514 4015 1 15 . 1 1 24 24 SER C C 31 174.820 174.820 175.002 -0.182 18514 4016 1 15 . 1 1 24 24 SER CA C 31 61.080 61.080 60.961 0.119 18514 4017 1 15 . 1 1 24 24 SER CB C 31 63.425 63.425 62.673 0.752 18514 4018 1 15 . 1 1 24 24 SER H H 31 8.873 8.873 8.702 0.171 18514 4019 1 15 . 1 1 25 25 ARG N N 32 119.696 119.696 118.509 1.187 18514 4020 1 15 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.394 -0.187 18514 4021 1 15 . 1 1 25 25 ARG C C 32 175.482 175.482 176.329 -0.847 18514 4022 1 15 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.148 0.870 18514 4023 1 15 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.709 -0.977 18514 4024 1 15 . 1 1 25 25 ARG H H 32 8.104 8.104 8.048 0.056 18514 4025 1 15 . 1 1 26 26 CYS N N 33 123.061 123.061 122.724 0.337 18514 4026 1 15 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.887 -0.200 18514 4027 1 15 . 1 1 26 26 CYS C C 33 173.064 173.064 174.268 -1.204 18514 4028 1 15 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.429 -0.729 18514 4029 1 15 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.190 3.764 18514 4030 1 15 . 1 1 26 26 CYS H H 33 7.766 7.766 7.849 -0.083 18514 4031 1 15 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.234 0.058 18514 4032 1 15 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.352 -1.086 18514 4033 1 15 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.549 0.610 18514 4034 1 15 . 1 1 28 28 CYS N N 35 129.050 129.050 115.894 13.156 18514 4035 1 15 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.206 -0.576 18514 4036 1 15 . 1 1 28 28 CYS C C 35 171.254 171.254 176.793 -5.539 18514 4037 1 15 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.385 -0.800 18514 4038 1 15 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.887 3.360 18514 4039 1 15 . 1 1 28 28 CYS H H 35 8.368 8.368 8.055 0.313 18514 4040 1 15 . 1 1 29 29 TYR N N 36 124.364 124.364 121.594 2.770 18514 4041 1 15 . 1 1 29 29 TYR HA H 36 4.060 4.060 3.931 0.129 18514 4042 1 15 . 1 1 29 29 TYR C C 36 172.650 172.650 178.012 -5.362 18514 4043 1 15 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.449 0.672 18514 4044 1 15 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.403 -0.482 18514 4045 1 15 . 1 1 29 29 TYR H H 36 8.197 8.197 7.959 0.238 18514 4046 1 15 . 1 1 30 30 LYS N N 37 117.214 117.214 118.560 -1.346 18514 4047 1 15 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.965 -0.186 18514 4048 1 15 . 1 1 30 30 LYS C C 37 172.650 172.650 177.196 -4.546 18514 4049 1 15 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.981 0.415 18514 4050 1 15 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.367 0.265 18514 4051 1 15 . 1 1 30 30 LYS H H 37 8.441 8.441 8.180 0.261 18514 4052 1 15 . 1 1 31 31 SER N N 38 109.671 109.671 113.217 -3.546 18514 4053 1 15 . 1 1 31 31 SER HA H 38 4.348 4.348 4.306 0.042 18514 4054 1 15 . 1 1 31 31 SER C C 38 173.566 173.566 173.668 -0.102 18514 4055 1 15 . 1 1 31 31 SER CA C 38 56.469 56.469 57.819 -1.350 18514 4056 1 15 . 1 1 31 31 SER CB C 38 63.461 63.461 63.590 -0.129 18514 4057 1 15 . 1 1 31 31 SER H H 38 7.180 7.180 7.515 -0.335 18514 4058 1 15 . 1 1 32 32 TYR N N 39 116.096 116.096 115.816 0.280 18514 4059 1 15 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.651 -0.564 18514 4060 1 15 . 1 1 32 32 TYR C C 39 176.728 176.728 174.213 2.515 18514 4061 1 15 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.322 -0.706 18514 4062 1 15 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.718 -0.168 18514 4063 1 15 . 1 1 32 32 TYR H H 39 7.410 7.410 7.050 0.360 18514 4064 1 15 . 1 1 33 33 ASN N N 40 116.549 116.549 117.174 -0.625 18514 4065 1 15 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.031 -0.028 18514 4066 1 15 . 1 1 33 33 ASN C C 40 176.083 176.083 174.454 1.629 18514 4067 1 15 . 1 1 33 33 ASN CA C 40 52.144 52.144 51.849 0.295 18514 4068 1 15 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.836 1.718 18514 4069 1 15 . 1 1 33 33 ASN H H 40 8.257 8.257 8.127 0.130 18514 4070 1 15 . 1 1 34 34 SER N N 41 115.071 115.071 115.104 -0.033 18514 4071 1 15 . 1 1 34 34 SER HA H 41 4.477 4.477 4.861 -0.384 18514 4072 1 15 . 1 1 34 34 SER C C 41 174.850 174.850 175.119 -0.269 18514 4073 1 15 . 1 1 34 34 SER CA C 41 57.625 57.625 58.650 -1.025 18514 4074 1 15 . 1 1 34 34 SER CB C 41 65.000 65.000 64.611 0.389 18514 4075 1 15 . 1 1 34 34 SER H H 41 8.720 8.720 8.638 0.082 18514 4076 1 15 . 1 1 35 35 CYS N N 42 115.950 115.950 118.938 -2.988 18514 4077 1 15 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.885 0.795 18514 4078 1 15 . 1 1 35 35 CYS C C 42 174.850 174.850 174.592 0.258 18514 4079 1 15 . 1 1 35 35 CYS CA C 42 59.784 59.784 57.776 2.008 18514 4080 1 15 . 1 1 35 35 CYS CB C 42 31.948 31.948 25.848 6.100 18514 4081 1 15 . 1 1 35 35 CYS H H 42 8.696 8.696 8.733 -0.037 18514 4082 1 15 . 1 1 36 36 ALA N N 43 124.417 124.417 123.877 0.540 18514 4083 1 15 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.158 0.059 18514 4084 1 15 . 1 1 36 36 ALA C C 43 173.572 173.572 177.029 -3.457 18514 4085 1 15 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.969 1.360 18514 4086 1 15 . 1 1 36 36 ALA CB C 43 17.835 17.835 17.874 -0.039 18514 4087 1 15 . 1 1 36 36 ALA H H 43 8.002 8.002 7.791 0.211 18514 4088 1 15 . 1 1 37 37 GLY N N 44 113.524 113.524 110.444 3.080 18514 4089 1 15 . 1 1 37 37 GLY C C 44 170.263 170.263 173.905 -3.642 18514 4090 1 15 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.838 0.879 18514 4091 1 15 . 1 1 37 37 GLY H H 44 8.932 8.932 8.152 0.780 18514 4092 1 15 . 1 1 38 38 CYS N N 45 120.184 120.184 117.673 2.511 18514 4093 1 15 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.525 -0.449 18514 4094 1 15 . 1 1 38 38 CYS C C 45 170.263 170.263 174.793 -4.530 18514 4095 1 15 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.474 3.412 18514 4096 1 15 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.493 4.129 18514 4097 1 15 . 1 1 38 38 CYS H H 45 7.641 7.641 7.779 -0.138 18514 4098 1 15 . 1 1 39 39 HIS N N 46 118.156 118.156 118.252 -0.096 18514 4099 1 15 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.735 0.315 18514 4100 1 15 . 1 1 39 39 HIS C C 46 174.223 174.223 175.261 -1.038 18514 4101 1 15 . 1 1 39 39 HIS CA C 46 54.489 54.489 56.119 -1.630 18514 4102 1 15 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.840 -0.152 18514 4103 1 15 . 1 1 39 39 HIS H H 46 8.234 8.234 9.095 -0.861 18514 4104 1 15 . 1 1 40 40 CYS N N 47 118.354 118.354 117.409 0.945 18514 4105 1 15 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.051 -0.229 18514 4106 1 15 . 1 1 40 40 CYS C C 47 176.296 176.296 174.867 1.429 18514 4107 1 15 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.901 -1.306 18514 4108 1 15 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.494 5.744 18514 4109 1 15 . 1 1 40 40 CYS H H 47 7.403 7.403 7.888 -0.485 18514 4110 1 15 . 1 1 41 41 VAL N N 48 118.968 118.968 124.090 -5.122 18514 4111 1 15 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.302 -0.071 18514 4112 1 15 . 1 1 41 41 VAL C C 48 174.265 174.265 176.096 -1.831 18514 4113 1 15 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.452 -0.221 18514 4114 1 15 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.877 0.821 18514 4115 1 15 . 1 1 41 41 VAL H H 48 8.205 8.205 8.917 -0.712 18514 4116 1 15 . 1 1 42 42 GLY N N 49 115.726 115.726 113.749 1.977 18514 4117 1 15 . 1 1 42 42 GLY C C 49 174.223 174.223 174.203 0.020 18514 4118 1 15 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.050 1.063 18514 4119 1 15 . 1 1 42 42 GLY H H 49 8.634 8.634 8.609 0.025 18514 4120 1 15 . 1 1 43 43 CYS N N 50 119.917 119.917 121.372 -1.455 18514 4121 1 15 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.795 -1.638 18514 4122 1 15 . 1 1 43 43 CYS C C 50 173.428 173.428 175.420 -1.992 18514 4123 1 15 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.218 6.128 18514 4124 1 15 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.753 6.373 18514 4125 1 15 . 1 1 43 43 CYS H H 50 7.670 7.670 8.218 -0.548 18514 4126 1 15 . 1 1 44 44 LYS N N 51 128.057 128.057 131.547 -3.490 18514 4127 1 15 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.431 0.167 18514 4128 1 15 . 1 1 44 44 LYS C C 51 171.776 171.776 175.076 -3.300 18514 4129 1 15 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.443 -0.407 18514 4130 1 15 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.645 0.080 18514 4131 1 15 . 1 1 44 44 LYS H H 51 7.934 7.934 8.042 -0.108 18514 4132 1 15 . 1 1 45 45 ASN N N 52 125.259 125.259 123.429 1.830 18514 4133 1 15 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.224 -0.457 18514 4134 1 15 . 1 1 45 45 ASN C C 52 171.776 171.776 173.846 -2.070 18514 4135 1 15 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.042 2.208 18514 4136 1 15 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.121 -0.601 18514 4137 1 15 . 1 1 45 45 ASN H H 52 9.076 9.076 8.201 0.875 18514 4138 1 15 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.355 0.108 18514 4139 1 15 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.938 -0.807 18514 4140 1 15 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.128 0.203 18514 4141 1 15 . 1 1 47 47 HIS N N 54 121.186 121.186 118.985 2.201 18514 4142 1 15 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.668 -0.154 18514 4143 1 15 . 1 1 47 47 HIS C C 54 172.204 172.204 174.253 -2.049 18514 4144 1 15 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.131 1.173 18514 4145 1 15 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.354 -1.446 18514 4146 1 15 . 1 1 47 47 HIS H H 54 8.236 8.236 8.641 -0.405 18514 4147 1 15 . 1 1 48 48 LYS N N 55 123.556 123.556 124.340 -0.784 18514 4148 1 15 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.322 0.139 18514 4149 1 15 . 1 1 48 48 LYS C C 55 175.066 175.066 176.728 -1.662 18514 4150 1 15 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.506 -0.186 18514 4151 1 15 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.001 1.105 18514 4152 1 15 . 1 1 48 48 LYS H H 55 8.470 8.470 7.884 0.586 18514 4153 1 15 . 1 1 49 49 GLU N N 56 121.100 121.100 123.751 -2.651 18514 4154 1 15 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.143 0.208 18514 4155 1 15 . 1 1 49 49 GLU C C 56 173.210 173.210 175.809 -2.599 18514 4156 1 15 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.078 0.285 18514 4157 1 15 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.363 2.260 18514 4158 1 15 . 1 1 49 49 GLU H H 56 8.523 8.523 8.407 0.116 18514 4159 1 15 . 1 1 50 50 ASP N N 57 121.579 121.579 123.787 -2.208 18514 4160 1 15 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.488 0.181 18514 4161 1 15 . 1 1 50 50 ASP C C 57 173.845 173.845 175.439 -1.594 18514 4162 1 15 . 1 1 50 50 ASP CA C 57 54.291 54.291 56.291 -2.000 18514 4163 1 15 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.091 0.361 18514 4164 1 15 . 1 1 50 50 ASP H H 57 8.396 8.396 8.919 -0.523 18514 4165 1 15 . 1 1 51 51 TYR N N 58 120.844 120.844 118.294 2.550 18514 4166 1 15 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.756 -0.239 18514 4167 1 15 . 1 1 51 51 TYR C C 58 173.968 173.968 174.661 -0.693 18514 4168 1 15 . 1 1 51 51 TYR CA C 58 57.796 57.796 55.829 1.967 18514 4169 1 15 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.665 1.293 18514 4170 1 15 . 1 1 51 51 TYR H H 58 8.176 8.176 7.654 0.522 18514 4171 1 16 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.655 0.128 18514 4172 1 16 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.085 -0.278 18514 4173 1 16 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.307 -0.516 18514 4174 1 16 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.416 -0.013 18514 4175 1 16 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.508 -0.774 18514 4176 1 16 . 1 1 3 3 PRO CB C 10 31.888 31.888 31.773 0.115 18514 4177 1 16 . 1 1 4 4 LYS N N 11 124.307 124.307 125.113 -0.806 18514 4178 1 16 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.482 0.033 18514 4179 1 16 . 1 1 4 4 LYS C C 11 173.272 173.272 174.810 -1.538 18514 4180 1 16 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.738 -0.457 18514 4181 1 16 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.788 0.133 18514 4182 1 16 . 1 1 4 4 LYS H H 11 8.380 8.380 8.182 0.198 18514 4183 1 16 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.467 -0.031 18514 4184 1 16 . 1 1 5 5 PRO C C 12 127.380 127.380 175.732 -48.352 18514 4185 1 16 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.910 -0.117 18514 4186 1 16 . 1 1 5 5 PRO CB C 12 32.082 32.082 31.881 0.201 18514 4187 1 16 . 1 1 6 6 LYS N N 13 118.851 118.851 123.228 -4.377 18514 4188 1 16 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.511 0.636 18514 4189 1 16 . 1 1 6 6 LYS C C 13 173.408 173.408 176.224 -2.816 18514 4190 1 16 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.514 -0.056 18514 4191 1 16 . 1 1 6 6 LYS CB C 13 34.841 34.841 32.822 2.019 18514 4192 1 16 . 1 1 6 6 LYS H H 13 8.064 8.064 8.095 -0.031 18514 4193 1 16 . 1 1 7 7 CYS N N 14 127.385 127.385 121.575 5.810 18514 4194 1 16 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.660 0.568 18514 4195 1 16 . 1 1 7 7 CYS C C 14 173.408 173.408 175.076 -1.668 18514 4196 1 16 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.581 -0.989 18514 4197 1 16 . 1 1 7 7 CYS CB C 14 34.861 34.861 30.181 4.680 18514 4198 1 16 . 1 1 7 7 CYS H H 14 9.943 9.943 8.205 1.738 18514 4199 1 16 . 1 1 8 8 ARG N N 15 117.940 117.940 119.393 -1.453 18514 4200 1 16 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.627 -0.281 18514 4201 1 16 . 1 1 8 8 ARG C C 15 175.808 175.808 175.767 0.041 18514 4202 1 16 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.170 -0.799 18514 4203 1 16 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.570 0.161 18514 4204 1 16 . 1 1 8 8 ARG H H 15 8.835 8.835 8.475 0.360 18514 4205 1 16 . 1 1 9 9 CYS N N 16 122.323 122.323 118.159 4.164 18514 4206 1 16 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.691 -0.667 18514 4207 1 16 . 1 1 9 9 CYS C C 16 174.360 174.360 176.324 -1.964 18514 4208 1 16 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.693 -0.454 18514 4209 1 16 . 1 1 9 9 CYS CB C 16 32.451 32.451 25.362 7.089 18514 4210 1 16 . 1 1 9 9 CYS H H 16 7.433 7.433 8.305 -0.872 18514 4211 1 16 . 1 1 10 10 GLY N N 17 108.065 108.065 115.328 -7.263 18514 4212 1 16 . 1 1 10 10 GLY C C 17 174.518 174.518 175.132 -0.614 18514 4213 1 16 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.824 -0.264 18514 4214 1 16 . 1 1 10 10 GLY H H 17 8.788 8.788 9.016 -0.228 18514 4215 1 16 . 1 1 11 11 ILE N N 18 118.990 118.990 121.504 -2.514 18514 4216 1 16 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.124 -0.147 18514 4217 1 16 . 1 1 11 11 ILE C C 18 173.820 173.820 176.192 -2.372 18514 4218 1 16 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.849 0.741 18514 4219 1 16 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.940 -0.216 18514 4220 1 16 . 1 1 11 11 ILE H H 18 7.557 7.557 7.751 -0.194 18514 4221 1 16 . 1 1 12 12 SER N N 19 116.128 116.128 115.597 0.531 18514 4222 1 16 . 1 1 12 12 SER HA H 19 4.510 4.510 4.664 -0.154 18514 4223 1 16 . 1 1 12 12 SER C C 19 172.948 172.948 173.942 -0.994 18514 4224 1 16 . 1 1 12 12 SER CA C 19 58.200 58.200 57.222 0.978 18514 4225 1 16 . 1 1 12 12 SER CB C 19 63.800 63.800 65.170 -1.370 18514 4226 1 16 . 1 1 12 12 SER H H 19 8.418 8.418 8.087 0.331 18514 4227 1 16 . 1 1 13 13 GLY N N 20 110.984 110.984 112.566 -1.582 18514 4228 1 16 . 1 1 13 13 GLY C C 20 172.948 172.948 174.121 -1.173 18514 4229 1 16 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.131 0.267 18514 4230 1 16 . 1 1 13 13 GLY H H 20 8.243 8.243 8.451 -0.208 18514 4231 1 16 . 1 1 14 14 SER N N 21 114.951 114.951 114.804 0.147 18514 4232 1 16 . 1 1 14 14 SER HA H 21 4.535 4.535 4.468 0.067 18514 4233 1 16 . 1 1 14 14 SER C C 21 175.376 175.376 174.384 0.992 18514 4234 1 16 . 1 1 14 14 SER CA C 21 57.930 57.930 59.427 -1.497 18514 4235 1 16 . 1 1 14 14 SER CB C 21 64.080 64.080 63.553 0.527 18514 4236 1 16 . 1 1 14 14 SER H H 21 8.250 8.250 8.540 -0.290 18514 4237 1 16 . 1 1 15 15 SER N N 22 118.334 118.334 117.287 1.047 18514 4238 1 16 . 1 1 15 15 SER HA H 22 4.449 4.449 4.637 -0.188 18514 4239 1 16 . 1 1 15 15 SER C C 22 174.863 174.863 174.369 0.494 18514 4240 1 16 . 1 1 15 15 SER CA C 22 57.767 57.767 58.165 -0.398 18514 4241 1 16 . 1 1 15 15 SER CB C 22 63.598 63.598 64.765 -1.167 18514 4242 1 16 . 1 1 15 15 SER H H 22 8.427 8.427 8.466 -0.039 18514 4243 1 16 . 1 1 16 16 ASN N N 23 120.784 120.784 118.157 2.627 18514 4244 1 16 . 1 1 16 16 ASN HA H 23 4.810 4.810 5.044 -0.234 18514 4245 1 16 . 1 1 16 16 ASN C C 23 175.364 175.364 174.130 1.234 18514 4246 1 16 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.163 0.010 18514 4247 1 16 . 1 1 16 16 ASN CB C 23 38.467 38.467 41.225 -2.758 18514 4248 1 16 . 1 1 16 16 ASN H H 23 8.453 8.453 7.934 0.519 18514 4249 1 16 . 1 1 17 17 THR N N 24 115.660 115.660 115.348 0.312 18514 4250 1 16 . 1 1 17 17 THR HA H 24 4.346 4.346 4.121 0.225 18514 4251 1 16 . 1 1 17 17 THR C C 24 173.428 173.428 176.350 -2.922 18514 4252 1 16 . 1 1 17 17 THR CA C 24 62.126 62.126 65.756 -3.630 18514 4253 1 16 . 1 1 17 17 THR CB C 24 68.777 68.777 68.980 -0.202 18514 4254 1 16 . 1 1 17 17 THR H H 24 8.417 8.417 8.321 0.096 18514 4255 1 16 . 1 1 18 18 LEU N N 25 121.190 121.190 118.095 3.095 18514 4256 1 16 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.180 0.114 18514 4257 1 16 . 1 1 18 18 LEU C C 25 173.951 173.951 176.844 -2.893 18514 4258 1 16 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.578 -0.330 18514 4259 1 16 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.739 0.568 18514 4260 1 16 . 1 1 18 18 LEU H H 25 8.218 8.218 7.834 0.384 18514 4261 1 16 . 1 1 19 19 THR N N 26 106.988 106.988 104.922 2.066 18514 4262 1 16 . 1 1 19 19 THR HA H 26 4.230 4.230 4.668 -0.438 18514 4263 1 16 . 1 1 19 19 THR C C 26 171.429 171.429 175.494 -4.065 18514 4264 1 16 . 1 1 19 19 THR CA C 26 60.631 60.631 59.521 1.110 18514 4265 1 16 . 1 1 19 19 THR CB C 26 68.296 68.296 69.518 -1.222 18514 4266 1 16 . 1 1 19 19 THR H H 26 7.791 7.791 7.227 0.564 18514 4267 1 16 . 1 1 20 20 THR N N 27 121.441 121.441 116.387 5.054 18514 4268 1 16 . 1 1 20 20 THR HA H 27 3.976 3.976 4.005 -0.029 18514 4269 1 16 . 1 1 20 20 THR C C 27 175.121 175.121 175.556 -0.435 18514 4270 1 16 . 1 1 20 20 THR CA C 27 68.900 68.900 65.106 3.794 18514 4271 1 16 . 1 1 20 20 THR CB C 27 65.100 65.100 68.444 -3.344 18514 4272 1 16 . 1 1 20 20 THR H H 27 7.370 7.370 7.640 -0.270 18514 4273 1 16 . 1 1 21 21 CYS N N 28 121.174 121.174 117.541 3.633 18514 4274 1 16 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.556 -0.546 18514 4275 1 16 . 1 1 21 21 CYS C C 28 174.930 174.930 175.694 -0.764 18514 4276 1 16 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.722 1.087 18514 4277 1 16 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.146 5.611 18514 4278 1 16 . 1 1 21 21 CYS H H 28 9.321 9.321 8.347 0.974 18514 4279 1 16 . 1 1 22 22 ARG N N 29 115.643 115.643 120.464 -4.821 18514 4280 1 16 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.266 -1.043 18514 4281 1 16 . 1 1 22 22 ARG C C 29 177.619 177.619 173.969 3.650 18514 4282 1 16 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.059 -3.229 18514 4283 1 16 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.599 1.669 18514 4284 1 16 . 1 1 22 22 ARG H H 29 7.880 7.880 7.414 0.466 18514 4285 1 16 . 1 1 23 23 ASN N N 30 113.854 113.854 114.321 -0.467 18514 4286 1 16 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.481 0.105 18514 4287 1 16 . 1 1 23 23 ASN C C 30 174.972 174.972 175.137 -0.165 18514 4288 1 16 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.607 -0.131 18514 4289 1 16 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.639 0.714 18514 4290 1 16 . 1 1 23 23 ASN H H 30 6.816 6.816 7.199 -0.383 18514 4291 1 16 . 1 1 24 24 SER N N 31 113.788 113.788 114.316 -0.528 18514 4292 1 16 . 1 1 24 24 SER HA H 31 4.172 4.172 4.411 -0.239 18514 4293 1 16 . 1 1 24 24 SER C C 31 174.820 174.820 174.790 0.030 18514 4294 1 16 . 1 1 24 24 SER CA C 31 61.080 61.080 60.350 0.730 18514 4295 1 16 . 1 1 24 24 SER CB C 31 63.425 63.425 62.972 0.453 18514 4296 1 16 . 1 1 24 24 SER H H 31 8.873 8.873 8.680 0.193 18514 4297 1 16 . 1 1 25 25 ARG N N 32 119.696 119.696 118.450 1.246 18514 4298 1 16 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.437 -0.230 18514 4299 1 16 . 1 1 25 25 ARG C C 32 175.482 175.482 175.863 -0.381 18514 4300 1 16 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.794 1.224 18514 4301 1 16 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.782 -1.050 18514 4302 1 16 . 1 1 25 25 ARG H H 32 8.104 8.104 7.903 0.201 18514 4303 1 16 . 1 1 26 26 CYS N N 33 123.061 123.061 122.195 0.866 18514 4304 1 16 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.849 -0.162 18514 4305 1 16 . 1 1 26 26 CYS C C 33 173.064 173.064 173.524 -0.460 18514 4306 1 16 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.685 0.015 18514 4307 1 16 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.706 3.248 18514 4308 1 16 . 1 1 26 26 CYS H H 33 7.766 7.766 7.772 -0.006 18514 4309 1 16 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.467 -0.175 18514 4310 1 16 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.954 -0.688 18514 4311 1 16 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.182 0.976 18514 4312 1 16 . 1 1 28 28 CYS N N 35 129.050 129.050 115.064 13.986 18514 4313 1 16 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.406 -0.776 18514 4314 1 16 . 1 1 28 28 CYS C C 35 171.254 171.254 176.707 -5.453 18514 4315 1 16 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.199 0.386 18514 4316 1 16 . 1 1 28 28 CYS CB C 35 29.247 29.247 27.302 1.945 18514 4317 1 16 . 1 1 28 28 CYS H H 35 8.368 8.368 7.789 0.579 18514 4318 1 16 . 1 1 29 29 TYR N N 36 124.364 124.364 122.668 1.696 18514 4319 1 16 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.364 -0.304 18514 4320 1 16 . 1 1 29 29 TYR C C 36 172.650 172.650 177.734 -5.084 18514 4321 1 16 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.595 0.526 18514 4322 1 16 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.674 -0.753 18514 4323 1 16 . 1 1 29 29 TYR H H 36 8.197 8.197 7.713 0.484 18514 4324 1 16 . 1 1 30 30 LYS N N 37 117.214 117.214 118.728 -1.514 18514 4325 1 16 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.937 -0.158 18514 4326 1 16 . 1 1 30 30 LYS C C 37 172.650 172.650 177.822 -5.172 18514 4327 1 16 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.170 0.226 18514 4328 1 16 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.418 0.214 18514 4329 1 16 . 1 1 30 30 LYS H H 37 8.441 8.441 8.515 -0.074 18514 4330 1 16 . 1 1 31 31 SER N N 38 109.671 109.671 113.373 -3.702 18514 4331 1 16 . 1 1 31 31 SER HA H 38 4.348 4.348 4.470 -0.122 18514 4332 1 16 . 1 1 31 31 SER C C 38 173.566 173.566 173.964 -0.398 18514 4333 1 16 . 1 1 31 31 SER CA C 38 56.469 56.469 58.878 -2.409 18514 4334 1 16 . 1 1 31 31 SER CB C 38 63.461 63.461 63.598 -0.137 18514 4335 1 16 . 1 1 31 31 SER H H 38 7.180 7.180 7.887 -0.707 18514 4336 1 16 . 1 1 32 32 TYR N N 39 116.096 116.096 116.188 -0.092 18514 4337 1 16 . 1 1 32 32 TYR HA H 39 3.087 3.087 4.402 -1.315 18514 4338 1 16 . 1 1 32 32 TYR C C 39 176.728 176.728 174.569 2.159 18514 4339 1 16 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.074 -0.458 18514 4340 1 16 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.944 -0.394 18514 4341 1 16 . 1 1 32 32 TYR H H 39 7.410 7.410 7.361 0.049 18514 4342 1 16 . 1 1 33 33 ASN N N 40 116.549 116.549 118.631 -2.082 18514 4343 1 16 . 1 1 33 33 ASN HA H 40 5.003 5.003 5.187 -0.184 18514 4344 1 16 . 1 1 33 33 ASN C C 40 176.083 176.083 173.245 2.838 18514 4345 1 16 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.315 -0.171 18514 4346 1 16 . 1 1 33 33 ASN CB C 40 43.554 43.554 42.768 0.786 18514 4347 1 16 . 1 1 33 33 ASN H H 40 8.257 8.257 8.509 -0.252 18514 4348 1 16 . 1 1 34 34 SER N N 41 115.071 115.071 113.496 1.575 18514 4349 1 16 . 1 1 34 34 SER HA H 41 4.477 4.477 4.754 -0.277 18514 4350 1 16 . 1 1 34 34 SER C C 41 174.850 174.850 175.593 -0.743 18514 4351 1 16 . 1 1 34 34 SER CA C 41 57.625 57.625 56.879 0.746 18514 4352 1 16 . 1 1 34 34 SER CB C 41 65.000 65.000 65.318 -0.318 18514 4353 1 16 . 1 1 34 34 SER H H 41 8.720 8.720 8.210 0.510 18514 4354 1 16 . 1 1 35 35 CYS N N 42 115.950 115.950 122.876 -6.926 18514 4355 1 16 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.570 1.110 18514 4356 1 16 . 1 1 35 35 CYS C C 42 174.850 174.850 175.326 -0.476 18514 4357 1 16 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.988 0.796 18514 4358 1 16 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.343 7.605 18514 4359 1 16 . 1 1 35 35 CYS H H 42 8.696 8.696 9.075 -0.379 18514 4360 1 16 . 1 1 36 36 ALA N N 43 124.417 124.417 126.244 -1.827 18514 4361 1 16 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.439 -0.222 18514 4362 1 16 . 1 1 36 36 ALA C C 43 173.572 173.572 177.372 -3.800 18514 4363 1 16 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.572 2.757 18514 4364 1 16 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.146 -0.311 18514 4365 1 16 . 1 1 36 36 ALA H H 43 8.002 8.002 7.966 0.036 18514 4366 1 16 . 1 1 37 37 GLY N N 44 113.524 113.524 111.493 2.031 18514 4367 1 16 . 1 1 37 37 GLY C C 44 170.263 170.263 173.742 -3.479 18514 4368 1 16 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.867 0.850 18514 4369 1 16 . 1 1 37 37 GLY H H 44 8.932 8.932 8.368 0.564 18514 4370 1 16 . 1 1 38 38 CYS N N 45 120.184 120.184 118.546 1.638 18514 4371 1 16 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.338 -0.262 18514 4372 1 16 . 1 1 38 38 CYS C C 45 170.263 170.263 175.127 -4.864 18514 4373 1 16 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.876 3.010 18514 4374 1 16 . 1 1 38 38 CYS CB C 45 33.622 33.622 27.786 5.836 18514 4375 1 16 . 1 1 38 38 CYS H H 45 7.641 7.641 7.795 -0.154 18514 4376 1 16 . 1 1 39 39 HIS N N 46 118.156 118.156 119.781 -1.625 18514 4377 1 16 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.725 0.325 18514 4378 1 16 . 1 1 39 39 HIS C C 46 174.223 174.223 175.122 -0.899 18514 4379 1 16 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.700 -1.211 18514 4380 1 16 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.044 0.644 18514 4381 1 16 . 1 1 39 39 HIS H H 46 8.234 8.234 8.595 -0.361 18514 4382 1 16 . 1 1 40 40 CYS N N 47 118.354 118.354 116.199 2.155 18514 4383 1 16 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.636 0.186 18514 4384 1 16 . 1 1 40 40 CYS C C 47 176.296 176.296 174.873 1.423 18514 4385 1 16 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.817 -1.221 18514 4386 1 16 . 1 1 40 40 CYS CB C 47 33.238 33.238 28.106 5.132 18514 4387 1 16 . 1 1 40 40 CYS H H 47 7.403 7.403 7.798 -0.395 18514 4388 1 16 . 1 1 41 41 VAL N N 48 118.968 118.968 123.691 -4.723 18514 4389 1 16 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.140 0.091 18514 4390 1 16 . 1 1 41 41 VAL C C 48 174.265 174.265 176.379 -2.114 18514 4391 1 16 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.943 -0.712 18514 4392 1 16 . 1 1 41 41 VAL CB C 48 34.698 34.698 32.371 2.327 18514 4393 1 16 . 1 1 41 41 VAL H H 48 8.205 8.205 8.507 -0.302 18514 4394 1 16 . 1 1 42 42 GLY N N 49 115.726 115.726 115.341 0.385 18514 4395 1 16 . 1 1 42 42 GLY C C 49 174.223 174.223 174.697 -0.474 18514 4396 1 16 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.233 0.881 18514 4397 1 16 . 1 1 42 42 GLY H H 49 8.634 8.634 8.708 -0.074 18514 4398 1 16 . 1 1 43 43 CYS N N 50 119.917 119.917 116.893 3.024 18514 4399 1 16 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.600 -1.443 18514 4400 1 16 . 1 1 43 43 CYS C C 50 173.428 173.428 175.919 -2.491 18514 4401 1 16 . 1 1 43 43 CYS CA C 50 63.346 63.346 56.790 6.556 18514 4402 1 16 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.960 5.166 18514 4403 1 16 . 1 1 43 43 CYS H H 50 7.670 7.670 8.030 -0.360 18514 4404 1 16 . 1 1 44 44 LYS N N 51 128.057 128.057 126.590 1.467 18514 4405 1 16 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.504 0.094 18514 4406 1 16 . 1 1 44 44 LYS C C 51 171.776 171.776 175.117 -3.341 18514 4407 1 16 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.545 -0.509 18514 4408 1 16 . 1 1 44 44 LYS CB C 51 31.725 31.725 31.683 0.042 18514 4409 1 16 . 1 1 44 44 LYS H H 51 7.934 7.934 8.090 -0.156 18514 4410 1 16 . 1 1 45 45 ASN N N 52 125.259 125.259 123.733 1.526 18514 4411 1 16 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.188 -0.421 18514 4412 1 16 . 1 1 45 45 ASN C C 52 171.776 171.776 173.995 -2.219 18514 4413 1 16 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.721 2.529 18514 4414 1 16 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.434 -0.914 18514 4415 1 16 . 1 1 45 45 ASN H H 52 9.076 9.076 8.087 0.989 18514 4416 1 16 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.280 0.183 18514 4417 1 16 . 1 1 46 46 PRO CA C 53 63.131 63.131 65.079 -1.948 18514 4418 1 16 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.151 0.180 18514 4419 1 16 . 1 1 47 47 HIS N N 54 121.186 121.186 115.054 6.132 18514 4420 1 16 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.874 -0.360 18514 4421 1 16 . 1 1 47 47 HIS C C 54 172.204 172.204 173.620 -1.416 18514 4422 1 16 . 1 1 47 47 HIS CA C 54 56.304 56.304 54.434 1.870 18514 4423 1 16 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.022 -1.114 18514 4424 1 16 . 1 1 47 47 HIS H H 54 8.236 8.236 8.591 -0.355 18514 4425 1 16 . 1 1 48 48 LYS N N 55 123.556 123.556 122.415 1.141 18514 4426 1 16 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.413 0.048 18514 4427 1 16 . 1 1 48 48 LYS C C 55 175.066 175.066 174.805 0.261 18514 4428 1 16 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.338 -0.018 18514 4429 1 16 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.558 0.548 18514 4430 1 16 . 1 1 48 48 LYS H H 55 8.470 8.470 7.820 0.650 18514 4431 1 16 . 1 1 49 49 GLU N N 56 121.100 121.100 120.988 0.112 18514 4432 1 16 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.193 0.158 18514 4433 1 16 . 1 1 49 49 GLU C C 56 173.210 173.210 175.366 -2.156 18514 4434 1 16 . 1 1 49 49 GLU CA C 56 56.363 56.363 55.518 0.845 18514 4435 1 16 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.530 1.093 18514 4436 1 16 . 1 1 49 49 GLU H H 56 8.523 8.523 8.509 0.014 18514 4437 1 16 . 1 1 50 50 ASP N N 57 121.579 121.579 126.565 -4.986 18514 4438 1 16 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.595 0.074 18514 4439 1 16 . 1 1 50 50 ASP C C 57 173.845 173.845 175.572 -1.727 18514 4440 1 16 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.184 0.107 18514 4441 1 16 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.762 -0.310 18514 4442 1 16 . 1 1 50 50 ASP H H 57 8.396 8.396 8.175 0.221 18514 4443 1 16 . 1 1 51 51 TYR N N 58 120.844 120.844 122.326 -1.482 18514 4444 1 16 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.702 -0.185 18514 4445 1 16 . 1 1 51 51 TYR C C 58 173.968 173.968 175.895 -1.927 18514 4446 1 16 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.066 -0.270 18514 4447 1 16 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.749 0.209 18514 4448 1 16 . 1 1 51 51 TYR H H 58 8.176 8.176 8.510 -0.334 18514 4449 1 17 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.777 0.006 18514 4450 1 17 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.174 -0.367 18514 4451 1 17 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.674 -0.883 18514 4452 1 17 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.492 -0.089 18514 4453 1 17 . 1 1 3 3 PRO CA C 10 62.734 62.734 63.050 -0.316 18514 4454 1 17 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.247 -0.359 18514 4455 1 17 . 1 1 4 4 LYS N N 11 124.307 124.307 125.760 -1.453 18514 4456 1 17 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.640 -0.125 18514 4457 1 17 . 1 1 4 4 LYS C C 11 173.272 173.272 174.478 -1.206 18514 4458 1 17 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.611 0.670 18514 4459 1 17 . 1 1 4 4 LYS CB C 11 31.920 31.920 33.430 -1.510 18514 4460 1 17 . 1 1 4 4 LYS H H 11 8.380 8.380 8.107 0.273 18514 4461 1 17 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.406 0.030 18514 4462 1 17 . 1 1 5 5 PRO C C 12 127.380 127.380 175.865 -48.485 18514 4463 1 17 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.711 0.082 18514 4464 1 17 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.166 -0.083 18514 4465 1 17 . 1 1 6 6 LYS N N 13 118.851 118.851 121.637 -2.786 18514 4466 1 17 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.481 0.666 18514 4467 1 17 . 1 1 6 6 LYS C C 13 173.408 173.408 175.763 -2.355 18514 4468 1 17 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.852 -0.395 18514 4469 1 17 . 1 1 6 6 LYS CB C 13 34.841 34.841 32.210 2.631 18514 4470 1 17 . 1 1 6 6 LYS H H 13 8.064 8.064 8.102 -0.038 18514 4471 1 17 . 1 1 7 7 CYS N N 14 127.385 127.385 121.674 5.711 18514 4472 1 17 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.640 0.588 18514 4473 1 17 . 1 1 7 7 CYS C C 14 173.408 173.408 175.470 -2.062 18514 4474 1 17 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.430 -0.838 18514 4475 1 17 . 1 1 7 7 CYS CB C 14 34.861 34.861 29.448 5.413 18514 4476 1 17 . 1 1 7 7 CYS H H 14 9.943 9.943 8.485 1.458 18514 4477 1 17 . 1 1 8 8 ARG N N 15 117.940 117.940 122.150 -4.210 18514 4478 1 17 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.581 -0.235 18514 4479 1 17 . 1 1 8 8 ARG C C 15 175.808 175.808 175.862 -0.054 18514 4480 1 17 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.349 -0.978 18514 4481 1 17 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.392 0.339 18514 4482 1 17 . 1 1 8 8 ARG H H 15 8.835 8.835 8.453 0.382 18514 4483 1 17 . 1 1 9 9 CYS N N 16 122.323 122.323 117.451 4.872 18514 4484 1 17 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.405 -0.381 18514 4485 1 17 . 1 1 9 9 CYS C C 16 174.360 174.360 176.260 -1.900 18514 4486 1 17 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.612 -0.373 18514 4487 1 17 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.945 5.506 18514 4488 1 17 . 1 1 9 9 CYS H H 16 7.433 7.433 8.325 -0.892 18514 4489 1 17 . 1 1 10 10 GLY N N 17 108.065 108.065 112.193 -4.128 18514 4490 1 17 . 1 1 10 10 GLY C C 17 174.518 174.518 175.208 -0.690 18514 4491 1 17 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.368 -0.808 18514 4492 1 17 . 1 1 10 10 GLY H H 17 8.788 8.788 8.550 0.238 18514 4493 1 17 . 1 1 11 11 ILE N N 18 118.990 118.990 120.495 -1.505 18514 4494 1 17 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.042 -0.065 18514 4495 1 17 . 1 1 11 11 ILE C C 18 173.820 173.820 176.371 -2.551 18514 4496 1 17 . 1 1 11 11 ILE CA C 18 63.590 63.590 62.780 0.810 18514 4497 1 17 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.455 0.269 18514 4498 1 17 . 1 1 11 11 ILE H H 18 7.557 7.557 7.623 -0.066 18514 4499 1 17 . 1 1 12 12 SER N N 19 116.128 116.128 114.381 1.747 18514 4500 1 17 . 1 1 12 12 SER HA H 19 4.510 4.510 4.666 -0.156 18514 4501 1 17 . 1 1 12 12 SER C C 19 172.948 172.948 173.280 -0.332 18514 4502 1 17 . 1 1 12 12 SER CA C 19 58.200 58.200 57.682 0.518 18514 4503 1 17 . 1 1 12 12 SER CB C 19 63.800 63.800 64.625 -0.825 18514 4504 1 17 . 1 1 12 12 SER H H 19 8.418 8.418 7.797 0.621 18514 4505 1 17 . 1 1 13 13 GLY N N 20 110.984 110.984 112.715 -1.731 18514 4506 1 17 . 1 1 13 13 GLY C C 20 172.948 172.948 173.726 -0.778 18514 4507 1 17 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.201 0.197 18514 4508 1 17 . 1 1 13 13 GLY H H 20 8.243 8.243 8.115 0.128 18514 4509 1 17 . 1 1 14 14 SER N N 21 114.951 114.951 121.978 -7.027 18514 4510 1 17 . 1 1 14 14 SER HA H 21 4.535 4.535 4.634 -0.099 18514 4511 1 17 . 1 1 14 14 SER C C 21 175.376 175.376 175.409 -0.033 18514 4512 1 17 . 1 1 14 14 SER CA C 21 57.930 57.930 58.659 -0.729 18514 4513 1 17 . 1 1 14 14 SER CB C 21 64.080 64.080 62.570 1.510 18514 4514 1 17 . 1 1 14 14 SER H H 21 8.250 8.250 8.522 -0.272 18514 4515 1 17 . 1 1 15 15 SER N N 22 118.334 118.334 120.106 -1.772 18514 4516 1 17 . 1 1 15 15 SER HA H 22 4.449 4.449 4.034 0.415 18514 4517 1 17 . 1 1 15 15 SER C C 22 174.863 174.863 173.716 1.147 18514 4518 1 17 . 1 1 15 15 SER CA C 22 57.767 57.767 60.505 -2.739 18514 4519 1 17 . 1 1 15 15 SER CB C 22 63.598 63.598 62.750 0.848 18514 4520 1 17 . 1 1 15 15 SER H H 22 8.427 8.427 8.750 -0.323 18514 4521 1 17 . 1 1 16 16 ASN N N 23 120.784 120.784 120.994 -0.210 18514 4522 1 17 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.646 0.164 18514 4523 1 17 . 1 1 16 16 ASN C C 23 175.364 175.364 174.798 0.566 18514 4524 1 17 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.316 -0.142 18514 4525 1 17 . 1 1 16 16 ASN CB C 23 38.467 38.467 37.677 0.790 18514 4526 1 17 . 1 1 16 16 ASN H H 23 8.453 8.453 8.260 0.193 18514 4527 1 17 . 1 1 17 17 THR N N 24 115.660 115.660 118.430 -2.770 18514 4528 1 17 . 1 1 17 17 THR HA H 24 4.346 4.346 4.479 -0.133 18514 4529 1 17 . 1 1 17 17 THR C C 24 173.428 173.428 175.255 -1.827 18514 4530 1 17 . 1 1 17 17 THR CA C 24 62.126 62.126 61.344 0.781 18514 4531 1 17 . 1 1 17 17 THR CB C 24 68.777 68.777 69.102 -0.325 18514 4532 1 17 . 1 1 17 17 THR H H 24 8.417 8.417 8.187 0.230 18514 4533 1 17 . 1 1 18 18 LEU N N 25 121.190 121.190 118.454 2.736 18514 4534 1 17 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.833 -0.539 18514 4535 1 17 . 1 1 18 18 LEU C C 25 173.951 173.951 177.369 -3.418 18514 4536 1 17 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.143 0.105 18514 4537 1 17 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.635 -0.328 18514 4538 1 17 . 1 1 18 18 LEU H H 25 8.218 8.218 7.479 0.739 18514 4539 1 17 . 1 1 19 19 THR N N 26 106.988 106.988 114.626 -7.638 18514 4540 1 17 . 1 1 19 19 THR HA H 26 4.230 4.230 4.694 -0.464 18514 4541 1 17 . 1 1 19 19 THR C C 26 171.429 171.429 175.879 -4.450 18514 4542 1 17 . 1 1 19 19 THR CA C 26 60.631 60.631 61.521 -0.890 18514 4543 1 17 . 1 1 19 19 THR CB C 26 68.296 68.296 69.552 -1.256 18514 4544 1 17 . 1 1 19 19 THR H H 26 7.791 7.791 8.817 -1.026 18514 4545 1 17 . 1 1 20 20 THR N N 27 121.441 121.441 120.534 0.907 18514 4546 1 17 . 1 1 20 20 THR HA H 27 3.976 3.976 3.931 0.045 18514 4547 1 17 . 1 1 20 20 THR C C 27 175.121 175.121 175.706 -0.585 18514 4548 1 17 . 1 1 20 20 THR CA C 27 68.900 68.900 66.572 2.328 18514 4549 1 17 . 1 1 20 20 THR CB C 27 65.100 65.100 68.371 -3.271 18514 4550 1 17 . 1 1 20 20 THR H H 27 7.370 7.370 8.436 -1.066 18514 4551 1 17 . 1 1 21 21 CYS N N 28 121.174 121.174 116.487 4.687 18514 4552 1 17 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.481 -0.471 18514 4553 1 17 . 1 1 21 21 CYS C C 28 174.930 174.930 175.092 -0.162 18514 4554 1 17 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.195 0.614 18514 4555 1 17 . 1 1 21 21 CYS CB C 28 31.757 31.757 25.809 5.948 18514 4556 1 17 . 1 1 21 21 CYS H H 28 9.321 9.321 8.456 0.865 18514 4557 1 17 . 1 1 22 22 ARG N N 29 115.643 115.643 119.445 -3.802 18514 4558 1 17 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.892 -0.669 18514 4559 1 17 . 1 1 22 22 ARG C C 29 177.619 177.619 174.039 3.580 18514 4560 1 17 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.586 -2.756 18514 4561 1 17 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.523 0.745 18514 4562 1 17 . 1 1 22 22 ARG H H 29 7.880 7.880 7.512 0.368 18514 4563 1 17 . 1 1 23 23 ASN N N 30 113.854 113.854 114.947 -1.093 18514 4564 1 17 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.542 0.044 18514 4565 1 17 . 1 1 23 23 ASN C C 30 174.972 174.972 176.210 -1.238 18514 4566 1 17 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.675 -0.199 18514 4567 1 17 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.955 0.398 18514 4568 1 17 . 1 1 23 23 ASN H H 30 6.816 6.816 7.138 -0.322 18514 4569 1 17 . 1 1 24 24 SER N N 31 113.788 113.788 115.466 -1.678 18514 4570 1 17 . 1 1 24 24 SER HA H 31 4.172 4.172 4.362 -0.190 18514 4571 1 17 . 1 1 24 24 SER C C 31 174.820 174.820 175.093 -0.273 18514 4572 1 17 . 1 1 24 24 SER CA C 31 61.080 61.080 61.014 0.066 18514 4573 1 17 . 1 1 24 24 SER CB C 31 63.425 63.425 62.662 0.763 18514 4574 1 17 . 1 1 24 24 SER H H 31 8.873 8.873 8.769 0.104 18514 4575 1 17 . 1 1 25 25 ARG N N 32 119.696 119.696 118.692 1.004 18514 4576 1 17 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.342 -0.135 18514 4577 1 17 . 1 1 25 25 ARG C C 32 175.482 175.482 176.542 -1.060 18514 4578 1 17 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.380 0.638 18514 4579 1 17 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.664 -0.932 18514 4580 1 17 . 1 1 25 25 ARG H H 32 8.104 8.104 7.926 0.178 18514 4581 1 17 . 1 1 26 26 CYS N N 33 123.061 123.061 122.258 0.803 18514 4582 1 17 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.967 -0.280 18514 4583 1 17 . 1 1 26 26 CYS C C 33 173.064 173.064 173.866 -0.802 18514 4584 1 17 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.834 -0.134 18514 4585 1 17 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.239 3.715 18514 4586 1 17 . 1 1 26 26 CYS H H 33 7.766 7.766 7.892 -0.126 18514 4587 1 17 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.405 -0.113 18514 4588 1 17 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.491 -0.225 18514 4589 1 17 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.232 0.926 18514 4590 1 17 . 1 1 28 28 CYS N N 35 129.050 129.050 115.998 13.052 18514 4591 1 17 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.373 -0.743 18514 4592 1 17 . 1 1 28 28 CYS C C 35 171.254 171.254 176.193 -4.939 18514 4593 1 17 . 1 1 28 28 CYS CA C 35 62.585 62.585 60.513 2.072 18514 4594 1 17 . 1 1 28 28 CYS CB C 35 29.247 29.247 27.066 2.181 18514 4595 1 17 . 1 1 28 28 CYS H H 35 8.368 8.368 7.851 0.517 18514 4596 1 17 . 1 1 29 29 TYR N N 36 124.364 124.364 121.788 2.576 18514 4597 1 17 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.065 -0.005 18514 4598 1 17 . 1 1 29 29 TYR C C 36 172.650 172.650 177.829 -5.179 18514 4599 1 17 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.290 0.831 18514 4600 1 17 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.629 -0.708 18514 4601 1 17 . 1 1 29 29 TYR H H 36 8.197 8.197 7.636 0.561 18514 4602 1 17 . 1 1 30 30 LYS N N 37 117.214 117.214 119.071 -1.857 18514 4603 1 17 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.712 0.067 18514 4604 1 17 . 1 1 30 30 LYS C C 37 172.650 172.650 176.676 -4.026 18514 4605 1 17 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.136 0.260 18514 4606 1 17 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.203 0.430 18514 4607 1 17 . 1 1 30 30 LYS H H 37 8.441 8.441 8.189 0.252 18514 4608 1 17 . 1 1 31 31 SER N N 38 109.671 109.671 112.324 -2.653 18514 4609 1 17 . 1 1 31 31 SER HA H 38 4.348 4.348 4.145 0.203 18514 4610 1 17 . 1 1 31 31 SER C C 38 173.566 173.566 173.702 -0.136 18514 4611 1 17 . 1 1 31 31 SER CA C 38 56.469 56.469 57.728 -1.259 18514 4612 1 17 . 1 1 31 31 SER CB C 38 63.461 63.461 63.310 0.151 18514 4613 1 17 . 1 1 31 31 SER H H 38 7.180 7.180 7.102 0.078 18514 4614 1 17 . 1 1 32 32 TYR N N 39 116.096 116.096 114.983 1.113 18514 4615 1 17 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.119 -0.032 18514 4616 1 17 . 1 1 32 32 TYR C C 39 176.728 176.728 174.239 2.489 18514 4617 1 17 . 1 1 32 32 TYR CA C 39 58.616 58.616 58.936 -0.320 18514 4618 1 17 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.621 -0.071 18514 4619 1 17 . 1 1 32 32 TYR H H 39 7.410 7.410 7.215 0.195 18514 4620 1 17 . 1 1 33 33 ASN N N 40 116.549 116.549 116.911 -0.362 18514 4621 1 17 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.911 0.092 18514 4622 1 17 . 1 1 33 33 ASN C C 40 176.083 176.083 174.521 1.562 18514 4623 1 17 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.372 -0.228 18514 4624 1 17 . 1 1 33 33 ASN CB C 40 43.554 43.554 40.707 2.847 18514 4625 1 17 . 1 1 33 33 ASN H H 40 8.257 8.257 7.871 0.386 18514 4626 1 17 . 1 1 34 34 SER N N 41 115.071 115.071 114.810 0.261 18514 4627 1 17 . 1 1 34 34 SER HA H 41 4.477 4.477 4.793 -0.316 18514 4628 1 17 . 1 1 34 34 SER C C 41 174.850 174.850 175.079 -0.229 18514 4629 1 17 . 1 1 34 34 SER CA C 41 57.625 57.625 57.825 -0.200 18514 4630 1 17 . 1 1 34 34 SER CB C 41 65.000 65.000 64.708 0.292 18514 4631 1 17 . 1 1 34 34 SER H H 41 8.720 8.720 8.430 0.290 18514 4632 1 17 . 1 1 35 35 CYS N N 42 115.950 115.950 122.973 -7.023 18514 4633 1 17 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.611 1.069 18514 4634 1 17 . 1 1 35 35 CYS C C 42 174.850 174.850 174.895 -0.045 18514 4635 1 17 . 1 1 35 35 CYS CA C 42 59.784 59.784 59.023 0.761 18514 4636 1 17 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.528 7.420 18514 4637 1 17 . 1 1 35 35 CYS H H 42 8.696 8.696 9.126 -0.430 18514 4638 1 17 . 1 1 36 36 ALA N N 43 124.417 124.417 126.863 -2.446 18514 4639 1 17 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.484 -0.267 18514 4640 1 17 . 1 1 36 36 ALA C C 43 173.572 173.572 177.388 -3.816 18514 4641 1 17 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.653 2.676 18514 4642 1 17 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.855 -1.020 18514 4643 1 17 . 1 1 36 36 ALA H H 43 8.002 8.002 7.923 0.078 18514 4644 1 17 . 1 1 37 37 GLY N N 44 113.524 113.524 111.899 1.625 18514 4645 1 17 . 1 1 37 37 GLY C C 44 170.263 170.263 174.087 -3.824 18514 4646 1 17 . 1 1 37 37 GLY CA C 44 45.717 45.717 45.053 0.664 18514 4647 1 17 . 1 1 37 37 GLY H H 44 8.932 8.932 8.616 0.316 18514 4648 1 17 . 1 1 38 38 CYS N N 45 120.184 120.184 118.605 1.579 18514 4649 1 17 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.599 -0.523 18514 4650 1 17 . 1 1 38 38 CYS C C 45 170.263 170.263 175.656 -5.393 18514 4651 1 17 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.737 3.149 18514 4652 1 17 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.232 5.390 18514 4653 1 17 . 1 1 38 38 CYS H H 45 7.641 7.641 7.880 -0.239 18514 4654 1 17 . 1 1 39 39 HIS N N 46 118.156 118.156 119.508 -1.352 18514 4655 1 17 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.686 0.364 18514 4656 1 17 . 1 1 39 39 HIS C C 46 174.223 174.223 175.152 -0.929 18514 4657 1 17 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.427 -0.938 18514 4658 1 17 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.281 0.407 18514 4659 1 17 . 1 1 39 39 HIS H H 46 8.234 8.234 8.667 -0.433 18514 4660 1 17 . 1 1 40 40 CYS N N 47 118.354 118.354 116.551 1.803 18514 4661 1 17 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.003 -0.181 18514 4662 1 17 . 1 1 40 40 CYS C C 47 176.296 176.296 174.806 1.490 18514 4663 1 17 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.759 -1.163 18514 4664 1 17 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.805 5.433 18514 4665 1 17 . 1 1 40 40 CYS H H 47 7.403 7.403 7.865 -0.462 18514 4666 1 17 . 1 1 41 41 VAL N N 48 118.968 118.968 123.994 -5.026 18514 4667 1 17 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.264 -0.033 18514 4668 1 17 . 1 1 41 41 VAL C C 48 174.265 174.265 176.345 -2.080 18514 4669 1 17 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.552 -0.321 18514 4670 1 17 . 1 1 41 41 VAL CB C 48 34.698 34.698 34.235 0.463 18514 4671 1 17 . 1 1 41 41 VAL H H 48 8.205 8.205 8.709 -0.504 18514 4672 1 17 . 1 1 42 42 GLY N N 49 115.726 115.726 113.602 2.124 18514 4673 1 17 . 1 1 42 42 GLY C C 49 174.223 174.223 173.681 0.542 18514 4674 1 17 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.345 0.768 18514 4675 1 17 . 1 1 42 42 GLY H H 49 8.634 8.634 8.645 -0.011 18514 4676 1 17 . 1 1 43 43 CYS N N 50 119.917 119.917 119.408 0.509 18514 4677 1 17 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.510 -1.353 18514 4678 1 17 . 1 1 43 43 CYS C C 50 173.428 173.428 174.613 -1.185 18514 4679 1 17 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.805 5.541 18514 4680 1 17 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.565 5.561 18514 4681 1 17 . 1 1 43 43 CYS H H 50 7.670 7.670 8.270 -0.600 18514 4682 1 17 . 1 1 44 44 LYS N N 51 128.057 128.057 129.250 -1.193 18514 4683 1 17 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.368 0.230 18514 4684 1 17 . 1 1 44 44 LYS C C 51 171.776 171.776 174.810 -3.034 18514 4685 1 17 . 1 1 44 44 LYS CA C 51 54.036 54.036 55.429 -1.393 18514 4686 1 17 . 1 1 44 44 LYS CB C 51 31.725 31.725 33.292 -1.567 18514 4687 1 17 . 1 1 44 44 LYS H H 51 7.934 7.934 8.465 -0.531 18514 4688 1 17 . 1 1 45 45 ASN N N 52 125.259 125.259 123.939 1.320 18514 4689 1 17 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.284 -0.517 18514 4690 1 17 . 1 1 45 45 ASN C C 52 171.776 171.776 174.028 -2.252 18514 4691 1 17 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.887 2.363 18514 4692 1 17 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.426 -0.906 18514 4693 1 17 . 1 1 45 45 ASN H H 52 9.076 9.076 8.479 0.597 18514 4694 1 17 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.127 0.336 18514 4695 1 17 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.891 -0.760 18514 4696 1 17 . 1 1 46 46 PRO CB C 53 32.331 32.331 31.920 0.411 18514 4697 1 17 . 1 1 47 47 HIS N N 54 121.186 121.186 118.190 2.996 18514 4698 1 17 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.094 0.420 18514 4699 1 17 . 1 1 47 47 HIS C C 54 172.204 172.204 174.782 -2.578 18514 4700 1 17 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.924 -0.620 18514 4701 1 17 . 1 1 47 47 HIS CB C 54 27.908 27.908 30.136 -2.228 18514 4702 1 17 . 1 1 47 47 HIS H H 54 8.236 8.236 8.671 -0.435 18514 4703 1 17 . 1 1 48 48 LYS N N 55 123.556 123.556 122.855 0.701 18514 4704 1 17 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.530 -0.069 18514 4705 1 17 . 1 1 48 48 LYS C C 55 175.066 175.066 176.268 -1.202 18514 4706 1 17 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.121 1.199 18514 4707 1 17 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.597 -0.491 18514 4708 1 17 . 1 1 48 48 LYS H H 55 8.470 8.470 8.328 0.142 18514 4709 1 17 . 1 1 49 49 GLU N N 56 121.100 121.100 121.498 -0.398 18514 4710 1 17 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.146 0.205 18514 4711 1 17 . 1 1 49 49 GLU C C 56 173.210 173.210 176.698 -3.488 18514 4712 1 17 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.948 -0.585 18514 4713 1 17 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.520 2.103 18514 4714 1 17 . 1 1 49 49 GLU H H 56 8.523 8.523 8.460 0.063 18514 4715 1 17 . 1 1 50 50 ASP N N 57 121.579 121.579 124.688 -3.109 18514 4716 1 17 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.400 0.269 18514 4717 1 17 . 1 1 50 50 ASP C C 57 173.845 173.845 174.226 -0.381 18514 4718 1 17 . 1 1 50 50 ASP CA C 57 54.291 54.291 55.308 -1.017 18514 4719 1 17 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.263 0.189 18514 4720 1 17 . 1 1 50 50 ASP H H 57 8.396 8.396 8.321 0.075 18514 4721 1 17 . 1 1 51 51 TYR N N 58 120.844 120.844 124.092 -3.248 18514 4722 1 17 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.786 -0.269 18514 4723 1 17 . 1 1 51 51 TYR C C 58 173.968 173.968 173.286 0.682 18514 4724 1 17 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.895 -0.099 18514 4725 1 17 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.305 -0.347 18514 4726 1 17 . 1 1 51 51 TYR H H 58 8.176 8.176 8.342 -0.166 18514 4727 1 18 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.746 0.037 18514 4728 1 18 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.244 -0.437 18514 4729 1 18 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.494 -0.703 18514 4730 1 18 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.530 -0.127 18514 4731 1 18 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.700 0.034 18514 4732 1 18 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.450 -0.562 18514 4733 1 18 . 1 1 4 4 LYS N N 11 124.307 124.307 122.530 1.777 18514 4734 1 18 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.577 -0.062 18514 4735 1 18 . 1 1 4 4 LYS C C 11 173.272 173.272 174.897 -1.625 18514 4736 1 18 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.303 -0.022 18514 4737 1 18 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.953 -0.033 18514 4738 1 18 . 1 1 4 4 LYS H H 11 8.380 8.380 8.139 0.241 18514 4739 1 18 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.320 0.116 18514 4740 1 18 . 1 1 5 5 PRO C C 12 127.380 127.380 175.694 -48.314 18514 4741 1 18 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.849 -0.056 18514 4742 1 18 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.158 -0.076 18514 4743 1 18 . 1 1 6 6 LYS N N 13 118.851 118.851 118.858 -0.007 18514 4744 1 18 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.645 0.502 18514 4745 1 18 . 1 1 6 6 LYS C C 13 173.408 173.408 175.598 -2.190 18514 4746 1 18 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.429 0.028 18514 4747 1 18 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.370 -0.529 18514 4748 1 18 . 1 1 6 6 LYS H H 13 8.064 8.064 8.142 -0.078 18514 4749 1 18 . 1 1 7 7 CYS N N 14 127.385 127.385 117.182 10.203 18514 4750 1 18 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.787 0.441 18514 4751 1 18 . 1 1 7 7 CYS C C 14 173.408 173.408 174.457 -1.049 18514 4752 1 18 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.319 -0.727 18514 4753 1 18 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.492 3.369 18514 4754 1 18 . 1 1 7 7 CYS H H 14 9.943 9.943 8.606 1.337 18514 4755 1 18 . 1 1 8 8 ARG N N 15 117.940 117.940 120.215 -2.275 18514 4756 1 18 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.668 -0.322 18514 4757 1 18 . 1 1 8 8 ARG C C 15 175.808 175.808 175.831 -0.023 18514 4758 1 18 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.133 -0.762 18514 4759 1 18 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.259 0.472 18514 4760 1 18 . 1 1 8 8 ARG H H 15 8.835 8.835 8.545 0.290 18514 4761 1 18 . 1 1 9 9 CYS N N 16 122.323 122.323 117.641 4.682 18514 4762 1 18 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.463 -0.439 18514 4763 1 18 . 1 1 9 9 CYS C C 16 174.360 174.360 176.489 -2.129 18514 4764 1 18 . 1 1 9 9 CYS CA C 16 60.239 60.239 61.243 -1.004 18514 4765 1 18 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.530 5.921 18514 4766 1 18 . 1 1 9 9 CYS H H 16 7.433 7.433 8.302 -0.869 18514 4767 1 18 . 1 1 10 10 GLY N N 17 108.065 108.065 113.573 -5.508 18514 4768 1 18 . 1 1 10 10 GLY C C 17 174.518 174.518 175.302 -0.784 18514 4769 1 18 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.391 -0.831 18514 4770 1 18 . 1 1 10 10 GLY H H 17 8.788 8.788 8.560 0.228 18514 4771 1 18 . 1 1 11 11 ILE N N 18 118.990 118.990 121.313 -2.323 18514 4772 1 18 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.927 0.050 18514 4773 1 18 . 1 1 11 11 ILE C C 18 173.820 173.820 177.172 -3.352 18514 4774 1 18 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.190 0.400 18514 4775 1 18 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.360 0.364 18514 4776 1 18 . 1 1 11 11 ILE H H 18 7.557 7.557 7.655 -0.098 18514 4777 1 18 . 1 1 12 12 SER N N 19 116.128 116.128 115.241 0.887 18514 4778 1 18 . 1 1 12 12 SER HA H 19 4.510 4.510 4.313 0.197 18514 4779 1 18 . 1 1 12 12 SER C C 19 172.948 172.948 175.260 -2.312 18514 4780 1 18 . 1 1 12 12 SER CA C 19 58.200 58.200 59.694 -1.494 18514 4781 1 18 . 1 1 12 12 SER CB C 19 63.800 63.800 63.928 -0.128 18514 4782 1 18 . 1 1 12 12 SER H H 19 8.418 8.418 7.736 0.682 18514 4783 1 18 . 1 1 13 13 GLY N N 20 110.984 110.984 109.045 1.939 18514 4784 1 18 . 1 1 13 13 GLY C C 20 172.948 172.948 172.716 0.232 18514 4785 1 18 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.592 0.806 18514 4786 1 18 . 1 1 13 13 GLY H H 20 8.243 8.243 8.018 0.225 18514 4787 1 18 . 1 1 14 14 SER N N 21 114.951 114.951 115.449 -0.498 18514 4788 1 18 . 1 1 14 14 SER HA H 21 4.535 4.535 4.812 -0.277 18514 4789 1 18 . 1 1 14 14 SER C C 21 175.376 175.376 175.142 0.234 18514 4790 1 18 . 1 1 14 14 SER CA C 21 57.930 57.930 57.245 0.685 18514 4791 1 18 . 1 1 14 14 SER CB C 21 64.080 64.080 63.930 0.150 18514 4792 1 18 . 1 1 14 14 SER H H 21 8.250 8.250 8.494 -0.244 18514 4793 1 18 . 1 1 15 15 SER N N 22 118.334 118.334 116.230 2.104 18514 4794 1 18 . 1 1 15 15 SER HA H 22 4.449 4.449 4.328 0.121 18514 4795 1 18 . 1 1 15 15 SER C C 22 174.863 174.863 174.806 0.057 18514 4796 1 18 . 1 1 15 15 SER CA C 22 57.767 57.767 59.858 -2.091 18514 4797 1 18 . 1 1 15 15 SER CB C 22 63.598 63.598 63.363 0.235 18514 4798 1 18 . 1 1 15 15 SER H H 22 8.427 8.427 8.207 0.220 18514 4799 1 18 . 1 1 16 16 ASN N N 23 120.784 120.784 119.245 1.539 18514 4800 1 18 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.859 -0.049 18514 4801 1 18 . 1 1 16 16 ASN C C 23 175.364 175.364 175.539 -0.175 18514 4802 1 18 . 1 1 16 16 ASN CA C 23 53.174 53.174 52.868 0.306 18514 4803 1 18 . 1 1 16 16 ASN CB C 23 38.467 38.467 39.864 -1.397 18514 4804 1 18 . 1 1 16 16 ASN H H 23 8.453 8.453 7.952 0.501 18514 4805 1 18 . 1 1 17 17 THR N N 24 115.660 115.660 113.962 1.698 18514 4806 1 18 . 1 1 17 17 THR HA H 24 4.346 4.346 4.370 -0.024 18514 4807 1 18 . 1 1 17 17 THR C C 24 173.428 173.428 174.975 -1.547 18514 4808 1 18 . 1 1 17 17 THR CA C 24 62.126 62.126 64.079 -1.953 18514 4809 1 18 . 1 1 17 17 THR CB C 24 68.777 68.777 69.664 -0.887 18514 4810 1 18 . 1 1 17 17 THR H H 24 8.417 8.417 8.649 -0.232 18514 4811 1 18 . 1 1 18 18 LEU N N 25 121.190 121.190 119.716 1.474 18514 4812 1 18 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.478 -0.184 18514 4813 1 18 . 1 1 18 18 LEU C C 25 173.951 173.951 176.328 -2.377 18514 4814 1 18 . 1 1 18 18 LEU CA C 25 56.248 56.248 55.926 0.322 18514 4815 1 18 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.539 -0.232 18514 4816 1 18 . 1 1 18 18 LEU H H 25 8.218 8.218 7.915 0.303 18514 4817 1 18 . 1 1 19 19 THR N N 26 106.988 106.988 108.958 -1.970 18514 4818 1 18 . 1 1 19 19 THR HA H 26 4.230 4.230 4.233 -0.003 18514 4819 1 18 . 1 1 19 19 THR C C 26 171.429 171.429 175.638 -4.209 18514 4820 1 18 . 1 1 19 19 THR CA C 26 60.631 60.631 62.104 -1.473 18514 4821 1 18 . 1 1 19 19 THR CB C 26 68.296 68.296 68.387 -0.091 18514 4822 1 18 . 1 1 19 19 THR H H 26 7.791 7.791 7.987 -0.196 18514 4823 1 18 . 1 1 20 20 THR N N 27 121.441 121.441 119.238 2.203 18514 4824 1 18 . 1 1 20 20 THR HA H 27 3.976 3.976 3.984 -0.008 18514 4825 1 18 . 1 1 20 20 THR C C 27 175.121 175.121 176.019 -0.898 18514 4826 1 18 . 1 1 20 20 THR CA C 27 68.900 68.900 65.660 3.240 18514 4827 1 18 . 1 1 20 20 THR CB C 27 65.100 65.100 68.148 -3.048 18514 4828 1 18 . 1 1 20 20 THR H H 27 7.370 7.370 8.420 -1.050 18514 4829 1 18 . 1 1 21 21 CYS N N 28 121.174 121.174 116.991 4.183 18514 4830 1 18 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.578 -0.568 18514 4831 1 18 . 1 1 21 21 CYS C C 28 174.930 174.930 176.144 -1.214 18514 4832 1 18 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.763 1.046 18514 4833 1 18 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.284 5.473 18514 4834 1 18 . 1 1 21 21 CYS H H 28 9.321 9.321 8.331 0.990 18514 4835 1 18 . 1 1 22 22 ARG N N 29 115.643 115.643 119.042 -3.399 18514 4836 1 18 . 1 1 22 22 ARG HA H 29 3.223 3.223 4.079 -0.856 18514 4837 1 18 . 1 1 22 22 ARG C C 29 177.619 177.619 174.941 2.678 18514 4838 1 18 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.443 -3.613 18514 4839 1 18 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.351 0.917 18514 4840 1 18 . 1 1 22 22 ARG H H 29 7.880 7.880 8.321 -0.441 18514 4841 1 18 . 1 1 23 23 ASN N N 30 113.854 113.854 116.308 -2.454 18514 4842 1 18 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.603 -0.017 18514 4843 1 18 . 1 1 23 23 ASN C C 30 174.972 174.972 175.735 -0.763 18514 4844 1 18 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.551 -0.075 18514 4845 1 18 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.415 0.938 18514 4846 1 18 . 1 1 23 23 ASN H H 30 6.816 6.816 7.469 -0.653 18514 4847 1 18 . 1 1 24 24 SER N N 31 113.788 113.788 114.280 -0.492 18514 4848 1 18 . 1 1 24 24 SER HA H 31 4.172 4.172 4.414 -0.242 18514 4849 1 18 . 1 1 24 24 SER C C 31 174.820 174.820 174.670 0.150 18514 4850 1 18 . 1 1 24 24 SER CA C 31 61.080 61.080 61.138 -0.058 18514 4851 1 18 . 1 1 24 24 SER CB C 31 63.425 63.425 62.665 0.760 18514 4852 1 18 . 1 1 24 24 SER H H 31 8.873 8.873 8.725 0.148 18514 4853 1 18 . 1 1 25 25 ARG N N 32 119.696 119.696 118.190 1.506 18514 4854 1 18 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.459 -0.252 18514 4855 1 18 . 1 1 25 25 ARG C C 32 175.482 175.482 176.033 -0.551 18514 4856 1 18 . 1 1 25 25 ARG CA C 32 57.018 57.018 54.612 2.406 18514 4857 1 18 . 1 1 25 25 ARG CB C 32 29.732 29.732 29.882 -0.150 18514 4858 1 18 . 1 1 25 25 ARG H H 32 8.104 8.104 8.057 0.047 18514 4859 1 18 . 1 1 26 26 CYS N N 33 123.061 123.061 123.274 -0.213 18514 4860 1 18 . 1 1 26 26 CYS HA H 33 4.687 4.687 5.008 -0.321 18514 4861 1 18 . 1 1 26 26 CYS C C 33 173.064 173.064 173.977 -0.913 18514 4862 1 18 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.217 -0.517 18514 4863 1 18 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.317 3.637 18514 4864 1 18 . 1 1 26 26 CYS H H 33 7.766 7.766 7.977 -0.211 18514 4865 1 18 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.331 -0.039 18514 4866 1 18 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.246 -0.980 18514 4867 1 18 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.559 0.599 18514 4868 1 18 . 1 1 28 28 CYS N N 35 129.050 129.050 115.820 13.230 18514 4869 1 18 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.244 -0.614 18514 4870 1 18 . 1 1 28 28 CYS C C 35 171.254 171.254 176.702 -5.448 18514 4871 1 18 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.308 -0.723 18514 4872 1 18 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.205 3.042 18514 4873 1 18 . 1 1 28 28 CYS H H 35 8.368 8.368 7.939 0.429 18514 4874 1 18 . 1 1 29 29 TYR N N 36 124.364 124.364 122.091 2.273 18514 4875 1 18 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.030 0.030 18514 4876 1 18 . 1 1 29 29 TYR C C 36 172.650 172.650 177.879 -5.229 18514 4877 1 18 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.599 0.522 18514 4878 1 18 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.313 -0.392 18514 4879 1 18 . 1 1 29 29 TYR H H 36 8.197 8.197 7.950 0.247 18514 4880 1 18 . 1 1 30 30 LYS N N 37 117.214 117.214 117.544 -0.330 18514 4881 1 18 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.888 -0.109 18514 4882 1 18 . 1 1 30 30 LYS C C 37 172.650 172.650 176.832 -4.182 18514 4883 1 18 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.180 0.216 18514 4884 1 18 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.427 0.205 18514 4885 1 18 . 1 1 30 30 LYS H H 37 8.441 8.441 7.878 0.563 18514 4886 1 18 . 1 1 31 31 SER N N 38 109.671 109.671 113.561 -3.890 18514 4887 1 18 . 1 1 31 31 SER HA H 38 4.348 4.348 4.489 -0.141 18514 4888 1 18 . 1 1 31 31 SER C C 38 173.566 173.566 173.448 0.118 18514 4889 1 18 . 1 1 31 31 SER CA C 38 56.469 56.469 58.176 -1.707 18514 4890 1 18 . 1 1 31 31 SER CB C 38 63.461 63.461 63.856 -0.395 18514 4891 1 18 . 1 1 31 31 SER H H 38 7.180 7.180 7.439 -0.259 18514 4892 1 18 . 1 1 32 32 TYR N N 39 116.096 116.096 115.445 0.651 18514 4893 1 18 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.639 -0.552 18514 4894 1 18 . 1 1 32 32 TYR C C 39 176.728 176.728 173.786 2.942 18514 4895 1 18 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.357 -0.741 18514 4896 1 18 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.845 -0.295 18514 4897 1 18 . 1 1 32 32 TYR H H 39 7.410 7.410 7.292 0.118 18514 4898 1 18 . 1 1 33 33 ASN N N 40 116.549 116.549 116.692 -0.143 18514 4899 1 18 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.906 0.097 18514 4900 1 18 . 1 1 33 33 ASN C C 40 176.083 176.083 174.008 2.075 18514 4901 1 18 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.431 -0.287 18514 4902 1 18 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.834 1.720 18514 4903 1 18 . 1 1 33 33 ASN H H 40 8.257 8.257 7.864 0.393 18514 4904 1 18 . 1 1 34 34 SER N N 41 115.071 115.071 115.354 -0.283 18514 4905 1 18 . 1 1 34 34 SER HA H 41 4.477 4.477 5.235 -0.758 18514 4906 1 18 . 1 1 34 34 SER C C 41 174.850 174.850 174.919 -0.069 18514 4907 1 18 . 1 1 34 34 SER CA C 41 57.625 57.625 57.655 -0.030 18514 4908 1 18 . 1 1 34 34 SER CB C 41 65.000 65.000 65.112 -0.112 18514 4909 1 18 . 1 1 34 34 SER H H 41 8.720 8.720 8.544 0.176 18514 4910 1 18 . 1 1 35 35 CYS N N 42 115.950 115.950 119.112 -3.162 18514 4911 1 18 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.859 0.821 18514 4912 1 18 . 1 1 35 35 CYS C C 42 174.850 174.850 174.874 -0.024 18514 4913 1 18 . 1 1 35 35 CYS CA C 42 59.784 59.784 57.826 1.958 18514 4914 1 18 . 1 1 35 35 CYS CB C 42 31.948 31.948 25.895 6.053 18514 4915 1 18 . 1 1 35 35 CYS H H 42 8.696 8.696 9.012 -0.316 18514 4916 1 18 . 1 1 36 36 ALA N N 43 124.417 124.417 123.894 0.523 18514 4917 1 18 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.263 -0.046 18514 4918 1 18 . 1 1 36 36 ALA C C 43 173.572 173.572 177.148 -3.576 18514 4919 1 18 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.813 1.516 18514 4920 1 18 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.279 -0.444 18514 4921 1 18 . 1 1 36 36 ALA H H 43 8.002 8.002 7.636 0.366 18514 4922 1 18 . 1 1 37 37 GLY N N 44 113.524 113.524 110.479 3.045 18514 4923 1 18 . 1 1 37 37 GLY C C 44 170.263 170.263 174.854 -4.591 18514 4924 1 18 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.867 0.850 18514 4925 1 18 . 1 1 37 37 GLY H H 44 8.932 8.932 8.519 0.413 18514 4926 1 18 . 1 1 38 38 CYS N N 45 120.184 120.184 119.450 0.734 18514 4927 1 18 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.590 -0.514 18514 4928 1 18 . 1 1 38 38 CYS C C 45 170.263 170.263 175.010 -4.747 18514 4929 1 18 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.887 2.999 18514 4930 1 18 . 1 1 38 38 CYS CB C 45 33.622 33.622 28.655 4.967 18514 4931 1 18 . 1 1 38 38 CYS H H 45 7.641 7.641 7.614 0.027 18514 4932 1 18 . 1 1 39 39 HIS N N 46 118.156 118.156 117.330 0.826 18514 4933 1 18 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.736 0.314 18514 4934 1 18 . 1 1 39 39 HIS C C 46 174.223 174.223 175.321 -1.098 18514 4935 1 18 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.479 -0.990 18514 4936 1 18 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.528 0.160 18514 4937 1 18 . 1 1 39 39 HIS H H 46 8.234 8.234 8.456 -0.222 18514 4938 1 18 . 1 1 40 40 CYS N N 47 118.354 118.354 117.843 0.511 18514 4939 1 18 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.878 -0.056 18514 4940 1 18 . 1 1 40 40 CYS C C 47 176.296 176.296 174.572 1.724 18514 4941 1 18 . 1 1 40 40 CYS CA C 47 55.596 55.596 57.626 -2.030 18514 4942 1 18 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.763 5.475 18514 4943 1 18 . 1 1 40 40 CYS H H 47 7.403 7.403 7.990 -0.587 18514 4944 1 18 . 1 1 41 41 VAL N N 48 118.968 118.968 123.802 -4.834 18514 4945 1 18 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.306 -0.075 18514 4946 1 18 . 1 1 41 41 VAL C C 48 174.265 174.265 176.436 -2.171 18514 4947 1 18 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.568 -0.337 18514 4948 1 18 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.222 1.476 18514 4949 1 18 . 1 1 41 41 VAL H H 48 8.205 8.205 8.961 -0.756 18514 4950 1 18 . 1 1 42 42 GLY N N 49 115.726 115.726 114.726 1.000 18514 4951 1 18 . 1 1 42 42 GLY C C 49 174.223 174.223 173.807 0.416 18514 4952 1 18 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.353 0.760 18514 4953 1 18 . 1 1 42 42 GLY H H 49 8.634 8.634 8.674 -0.040 18514 4954 1 18 . 1 1 43 43 CYS N N 50 119.917 119.917 119.715 0.202 18514 4955 1 18 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.477 -1.320 18514 4956 1 18 . 1 1 43 43 CYS C C 50 173.428 173.428 174.869 -1.441 18514 4957 1 18 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.880 5.466 18514 4958 1 18 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.671 6.455 18514 4959 1 18 . 1 1 43 43 CYS H H 50 7.670 7.670 8.325 -0.655 18514 4960 1 18 . 1 1 44 44 LYS N N 51 128.057 128.057 130.346 -2.289 18514 4961 1 18 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.414 0.184 18514 4962 1 18 . 1 1 44 44 LYS C C 51 171.776 171.776 174.893 -3.117 18514 4963 1 18 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.871 -0.835 18514 4964 1 18 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.260 -0.535 18514 4965 1 18 . 1 1 44 44 LYS H H 51 7.934 7.934 8.386 -0.452 18514 4966 1 18 . 1 1 45 45 ASN N N 52 125.259 125.259 122.492 2.767 18514 4967 1 18 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.135 -0.368 18514 4968 1 18 . 1 1 45 45 ASN C C 52 171.776 171.776 174.120 -2.344 18514 4969 1 18 . 1 1 45 45 ASN CA C 52 52.250 52.250 50.031 2.219 18514 4970 1 18 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.054 -0.534 18514 4971 1 18 . 1 1 45 45 ASN H H 52 9.076 9.076 8.179 0.897 18514 4972 1 18 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.395 0.068 18514 4973 1 18 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.696 -0.565 18514 4974 1 18 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.012 0.319 18514 4975 1 18 . 1 1 47 47 HIS N N 54 121.186 121.186 119.336 1.850 18514 4976 1 18 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.652 -0.138 18514 4977 1 18 . 1 1 47 47 HIS C C 54 172.204 172.204 174.227 -2.023 18514 4978 1 18 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.837 0.467 18514 4979 1 18 . 1 1 47 47 HIS CB C 54 27.908 27.908 31.267 -3.359 18514 4980 1 18 . 1 1 47 47 HIS H H 54 8.236 8.236 8.268 -0.032 18514 4981 1 18 . 1 1 48 48 LYS N N 55 123.556 123.556 122.621 0.935 18514 4982 1 18 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.461 0.000 18514 4983 1 18 . 1 1 48 48 LYS C C 55 175.066 175.066 177.141 -2.075 18514 4984 1 18 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.788 0.533 18514 4985 1 18 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.767 0.339 18514 4986 1 18 . 1 1 48 48 LYS H H 55 8.470 8.470 8.671 -0.201 18514 4987 1 18 . 1 1 49 49 GLU N N 56 121.100 121.100 124.614 -3.514 18514 4988 1 18 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.105 0.246 18514 4989 1 18 . 1 1 49 49 GLU C C 56 173.210 173.210 176.613 -3.403 18514 4990 1 18 . 1 1 49 49 GLU CA C 56 56.363 56.363 57.367 -1.004 18514 4991 1 18 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.927 1.696 18514 4992 1 18 . 1 1 49 49 GLU H H 56 8.523 8.523 8.787 -0.264 18514 4993 1 18 . 1 1 50 50 ASP N N 57 121.579 121.579 126.309 -4.730 18514 4994 1 18 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.612 0.057 18514 4995 1 18 . 1 1 50 50 ASP C C 57 173.845 173.845 175.187 -1.342 18514 4996 1 18 . 1 1 50 50 ASP CA C 57 54.291 54.291 55.012 -0.721 18514 4997 1 18 . 1 1 50 50 ASP CB C 57 41.452 41.452 40.422 1.030 18514 4998 1 18 . 1 1 50 50 ASP H H 57 8.396 8.396 8.743 -0.347 18514 4999 1 18 . 1 1 51 51 TYR N N 58 120.844 120.844 124.384 -3.540 18514 5000 1 18 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.719 -0.202 18514 5001 1 18 . 1 1 51 51 TYR C C 58 173.968 173.968 173.990 -0.022 18514 5002 1 18 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.977 -0.181 18514 5003 1 18 . 1 1 51 51 TYR CB C 58 38.958 38.958 39.453 -0.495 18514 5004 1 18 . 1 1 51 51 TYR H H 58 8.176 8.176 8.330 -0.154 18514 5005 1 19 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.777 0.006 18514 5006 1 19 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.148 -0.341 18514 5007 1 19 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.696 -0.905 18514 5008 1 19 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.513 -0.110 18514 5009 1 19 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.946 -0.212 18514 5010 1 19 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.273 -0.385 18514 5011 1 19 . 1 1 4 4 LYS N N 11 124.307 124.307 125.738 -1.431 18514 5012 1 19 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.629 -0.114 18514 5013 1 19 . 1 1 4 4 LYS C C 11 173.272 173.272 175.021 -1.749 18514 5014 1 19 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.409 0.872 18514 5015 1 19 . 1 1 4 4 LYS CB C 11 31.920 31.920 31.896 0.024 18514 5016 1 19 . 1 1 4 4 LYS H H 11 8.380 8.380 8.160 0.220 18514 5017 1 19 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.350 0.086 18514 5018 1 19 . 1 1 5 5 PRO C C 12 127.380 127.380 175.791 -48.411 18514 5019 1 19 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.885 -0.091 18514 5020 1 19 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.123 -0.041 18514 5021 1 19 . 1 1 6 6 LYS N N 13 118.851 118.851 118.920 -0.069 18514 5022 1 19 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.728 0.419 18514 5023 1 19 . 1 1 6 6 LYS C C 13 173.408 173.408 175.477 -2.069 18514 5024 1 19 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.134 0.323 18514 5025 1 19 . 1 1 6 6 LYS CB C 13 34.841 34.841 35.121 -0.280 18514 5026 1 19 . 1 1 6 6 LYS H H 13 8.064 8.064 8.161 -0.097 18514 5027 1 19 . 1 1 7 7 CYS N N 14 127.385 127.385 117.820 9.565 18514 5028 1 19 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.879 0.349 18514 5029 1 19 . 1 1 7 7 CYS C C 14 173.408 173.408 174.183 -0.775 18514 5030 1 19 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.387 -0.795 18514 5031 1 19 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.325 3.536 18514 5032 1 19 . 1 1 7 7 CYS H H 14 9.943 9.943 8.609 1.334 18514 5033 1 19 . 1 1 8 8 ARG N N 15 117.940 117.940 118.811 -0.871 18514 5034 1 19 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.768 -0.422 18514 5035 1 19 . 1 1 8 8 ARG C C 15 175.808 175.808 176.373 -0.565 18514 5036 1 19 . 1 1 8 8 ARG CA C 15 54.371 54.371 54.798 -0.427 18514 5037 1 19 . 1 1 8 8 ARG CB C 15 30.731 30.731 29.869 0.862 18514 5038 1 19 . 1 1 8 8 ARG H H 15 8.835 8.835 8.746 0.089 18514 5039 1 19 . 1 1 9 9 CYS N N 16 122.323 122.323 117.623 4.700 18514 5040 1 19 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.329 -0.305 18514 5041 1 19 . 1 1 9 9 CYS C C 16 174.360 174.360 176.141 -1.781 18514 5042 1 19 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.734 -0.495 18514 5043 1 19 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.286 6.165 18514 5044 1 19 . 1 1 9 9 CYS H H 16 7.433 7.433 8.286 -0.853 18514 5045 1 19 . 1 1 10 10 GLY N N 17 108.065 108.065 114.582 -6.517 18514 5046 1 19 . 1 1 10 10 GLY C C 17 174.518 174.518 175.174 -0.656 18514 5047 1 19 . 1 1 10 10 GLY CA C 17 45.560 45.560 46.321 -0.761 18514 5048 1 19 . 1 1 10 10 GLY H H 17 8.788 8.788 8.831 -0.043 18514 5049 1 19 . 1 1 11 11 ILE N N 18 118.990 118.990 121.657 -2.667 18514 5050 1 19 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.137 -0.160 18514 5051 1 19 . 1 1 11 11 ILE C C 18 173.820 173.820 176.258 -2.438 18514 5052 1 19 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.225 0.365 18514 5053 1 19 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.933 -0.209 18514 5054 1 19 . 1 1 11 11 ILE H H 18 7.557 7.557 7.704 -0.147 18514 5055 1 19 . 1 1 12 12 SER N N 19 116.128 116.128 116.005 0.123 18514 5056 1 19 . 1 1 12 12 SER HA H 19 4.510 4.510 4.692 -0.182 18514 5057 1 19 . 1 1 12 12 SER C C 19 172.948 172.948 173.397 -0.449 18514 5058 1 19 . 1 1 12 12 SER CA C 19 58.200 58.200 57.712 0.488 18514 5059 1 19 . 1 1 12 12 SER CB C 19 63.800 63.800 64.279 -0.479 18514 5060 1 19 . 1 1 12 12 SER H H 19 8.418 8.418 8.002 0.416 18514 5061 1 19 . 1 1 13 13 GLY N N 20 110.984 110.984 111.421 -0.437 18514 5062 1 19 . 1 1 13 13 GLY C C 20 172.948 172.948 173.229 -0.281 18514 5063 1 19 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.020 0.378 18514 5064 1 19 . 1 1 13 13 GLY H H 20 8.243 8.243 8.193 0.050 18514 5065 1 19 . 1 1 14 14 SER N N 21 114.951 114.951 116.810 -1.859 18514 5066 1 19 . 1 1 14 14 SER HA H 21 4.535 4.535 4.462 0.073 18514 5067 1 19 . 1 1 14 14 SER C C 21 175.376 175.376 174.013 1.363 18514 5068 1 19 . 1 1 14 14 SER CA C 21 57.930 57.930 57.806 0.124 18514 5069 1 19 . 1 1 14 14 SER CB C 21 64.080 64.080 63.345 0.735 18514 5070 1 19 . 1 1 14 14 SER H H 21 8.250 8.250 8.190 0.060 18514 5071 1 19 . 1 1 15 15 SER N N 22 118.334 118.334 119.028 -0.694 18514 5072 1 19 . 1 1 15 15 SER HA H 22 4.449 4.449 4.529 -0.080 18514 5073 1 19 . 1 1 15 15 SER C C 22 174.863 174.863 172.732 2.131 18514 5074 1 19 . 1 1 15 15 SER CA C 22 57.767 57.767 57.469 0.298 18514 5075 1 19 . 1 1 15 15 SER CB C 22 63.598 63.598 63.768 -0.170 18514 5076 1 19 . 1 1 15 15 SER H H 22 8.427 8.427 8.178 0.249 18514 5077 1 19 . 1 1 16 16 ASN N N 23 120.784 120.784 118.223 2.561 18514 5078 1 19 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.449 0.361 18514 5079 1 19 . 1 1 16 16 ASN C C 23 175.364 175.364 175.740 -0.376 18514 5080 1 19 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.968 -0.794 18514 5081 1 19 . 1 1 16 16 ASN CB C 23 38.467 38.467 38.853 -0.387 18514 5082 1 19 . 1 1 16 16 ASN H H 23 8.453 8.453 8.112 0.341 18514 5083 1 19 . 1 1 17 17 THR N N 24 115.660 115.660 116.152 -0.492 18514 5084 1 19 . 1 1 17 17 THR HA H 24 4.346 4.346 4.177 0.169 18514 5085 1 19 . 1 1 17 17 THR C C 24 173.428 173.428 176.005 -2.577 18514 5086 1 19 . 1 1 17 17 THR CA C 24 62.126 62.126 64.940 -2.814 18514 5087 1 19 . 1 1 17 17 THR CB C 24 68.777 68.777 69.118 -0.341 18514 5088 1 19 . 1 1 17 17 THR H H 24 8.417 8.417 8.586 -0.169 18514 5089 1 19 . 1 1 18 18 LEU N N 25 121.190 121.190 119.771 1.419 18514 5090 1 19 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.301 -0.007 18514 5091 1 19 . 1 1 18 18 LEU C C 25 173.951 173.951 176.733 -2.782 18514 5092 1 19 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.309 -0.061 18514 5093 1 19 . 1 1 18 18 LEU CB C 25 42.307 42.307 41.894 0.413 18514 5094 1 19 . 1 1 18 18 LEU H H 25 8.218 8.218 7.744 0.474 18514 5095 1 19 . 1 1 19 19 THR N N 26 106.988 106.988 106.896 0.092 18514 5096 1 19 . 1 1 19 19 THR HA H 26 4.230 4.230 4.517 -0.287 18514 5097 1 19 . 1 1 19 19 THR C C 26 171.429 171.429 175.097 -3.668 18514 5098 1 19 . 1 1 19 19 THR CA C 26 60.631 60.631 60.938 -0.307 18514 5099 1 19 . 1 1 19 19 THR CB C 26 68.296 68.296 69.903 -1.607 18514 5100 1 19 . 1 1 19 19 THR H H 26 7.791 7.791 7.652 0.139 18514 5101 1 19 . 1 1 20 20 THR N N 27 121.441 121.441 119.416 2.025 18514 5102 1 19 . 1 1 20 20 THR HA H 27 3.976 3.976 4.017 -0.041 18514 5103 1 19 . 1 1 20 20 THR C C 27 175.121 175.121 176.119 -0.998 18514 5104 1 19 . 1 1 20 20 THR CA C 27 68.900 68.900 66.012 2.888 18514 5105 1 19 . 1 1 20 20 THR CB C 27 65.100 65.100 68.547 -3.447 18514 5106 1 19 . 1 1 20 20 THR H H 27 7.370 7.370 8.340 -0.970 18514 5107 1 19 . 1 1 21 21 CYS N N 28 121.174 121.174 117.580 3.594 18514 5108 1 19 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.530 -0.520 18514 5109 1 19 . 1 1 21 21 CYS C C 28 174.930 174.930 174.752 0.178 18514 5110 1 19 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.002 0.807 18514 5111 1 19 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.061 5.696 18514 5112 1 19 . 1 1 21 21 CYS H H 28 9.321 9.321 8.154 1.167 18514 5113 1 19 . 1 1 22 22 ARG N N 29 115.643 115.643 116.968 -1.325 18514 5114 1 19 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.886 -0.663 18514 5115 1 19 . 1 1 22 22 ARG C C 29 177.619 177.619 174.029 3.590 18514 5116 1 19 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.768 -2.938 18514 5117 1 19 . 1 1 22 22 ARG CB C 29 31.268 31.268 29.767 1.501 18514 5118 1 19 . 1 1 22 22 ARG H H 29 7.880 7.880 8.055 -0.175 18514 5119 1 19 . 1 1 23 23 ASN N N 30 113.854 113.854 115.913 -2.059 18514 5120 1 19 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.605 -0.019 18514 5121 1 19 . 1 1 23 23 ASN C C 30 174.972 174.972 175.723 -0.751 18514 5122 1 19 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.492 -0.016 18514 5123 1 19 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.427 0.926 18514 5124 1 19 . 1 1 23 23 ASN H H 30 6.816 6.816 7.318 -0.502 18514 5125 1 19 . 1 1 24 24 SER N N 31 113.788 113.788 113.597 0.191 18514 5126 1 19 . 1 1 24 24 SER HA H 31 4.172 4.172 4.422 -0.250 18514 5127 1 19 . 1 1 24 24 SER C C 31 174.820 174.820 174.822 -0.002 18514 5128 1 19 . 1 1 24 24 SER CA C 31 61.080 61.080 60.880 0.200 18514 5129 1 19 . 1 1 24 24 SER CB C 31 63.425 63.425 62.683 0.742 18514 5130 1 19 . 1 1 24 24 SER H H 31 8.873 8.873 8.724 0.149 18514 5131 1 19 . 1 1 25 25 ARG N N 32 119.696 119.696 119.133 0.563 18514 5132 1 19 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.368 -0.161 18514 5133 1 19 . 1 1 25 25 ARG C C 32 175.482 175.482 175.975 -0.493 18514 5134 1 19 . 1 1 25 25 ARG CA C 32 57.018 57.018 56.499 0.519 18514 5135 1 19 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.813 -1.081 18514 5136 1 19 . 1 1 25 25 ARG H H 32 8.104 8.104 8.176 -0.072 18514 5137 1 19 . 1 1 26 26 CYS N N 33 123.061 123.061 122.488 0.573 18514 5138 1 19 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.925 -0.238 18514 5139 1 19 . 1 1 26 26 CYS C C 33 173.064 173.064 173.586 -0.522 18514 5140 1 19 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.661 0.039 18514 5141 1 19 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.107 3.847 18514 5142 1 19 . 1 1 26 26 CYS H H 33 7.766 7.766 7.642 0.124 18514 5143 1 19 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.323 -0.031 18514 5144 1 19 . 1 1 27 27 PRO CA C 34 64.266 64.266 64.911 -0.645 18514 5145 1 19 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.511 0.647 18514 5146 1 19 . 1 1 28 28 CYS N N 35 129.050 129.050 115.085 13.965 18514 5147 1 19 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.253 -0.623 18514 5148 1 19 . 1 1 28 28 CYS C C 35 171.254 171.254 176.665 -5.411 18514 5149 1 19 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.707 -0.122 18514 5150 1 19 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.288 2.959 18514 5151 1 19 . 1 1 28 28 CYS H H 35 8.368 8.368 7.927 0.441 18514 5152 1 19 . 1 1 29 29 TYR N N 36 124.364 124.364 121.720 2.644 18514 5153 1 19 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.130 -0.070 18514 5154 1 19 . 1 1 29 29 TYR C C 36 172.650 172.650 178.156 -5.506 18514 5155 1 19 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.464 0.657 18514 5156 1 19 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.373 -0.452 18514 5157 1 19 . 1 1 29 29 TYR H H 36 8.197 8.197 7.838 0.359 18514 5158 1 19 . 1 1 30 30 LYS N N 37 117.214 117.214 115.496 1.718 18514 5159 1 19 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.935 -0.156 18514 5160 1 19 . 1 1 30 30 LYS C C 37 172.650 172.650 176.468 -3.818 18514 5161 1 19 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.101 1.295 18514 5162 1 19 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.028 0.605 18514 5163 1 19 . 1 1 30 30 LYS H H 37 8.441 8.441 7.862 0.579 18514 5164 1 19 . 1 1 31 31 SER N N 38 109.671 109.671 111.825 -2.154 18514 5165 1 19 . 1 1 31 31 SER HA H 38 4.348 4.348 4.474 -0.126 18514 5166 1 19 . 1 1 31 31 SER C C 38 173.566 173.566 174.392 -0.826 18514 5167 1 19 . 1 1 31 31 SER CA C 38 56.469 56.469 58.055 -1.586 18514 5168 1 19 . 1 1 31 31 SER CB C 38 63.461 63.461 64.003 -0.542 18514 5169 1 19 . 1 1 31 31 SER H H 38 7.180 7.180 7.443 -0.263 18514 5170 1 19 . 1 1 32 32 TYR N N 39 116.096 116.096 115.537 0.559 18514 5171 1 19 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.422 -0.335 18514 5172 1 19 . 1 1 32 32 TYR C C 39 176.728 176.728 173.760 2.968 18514 5173 1 19 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.348 -0.732 18514 5174 1 19 . 1 1 32 32 TYR CB C 39 34.550 34.550 35.059 -0.509 18514 5175 1 19 . 1 1 32 32 TYR H H 39 7.410 7.410 7.367 0.043 18514 5176 1 19 . 1 1 33 33 ASN N N 40 116.549 116.549 116.120 0.429 18514 5177 1 19 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.883 0.120 18514 5178 1 19 . 1 1 33 33 ASN C C 40 176.083 176.083 174.334 1.749 18514 5179 1 19 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.474 -0.329 18514 5180 1 19 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.532 2.022 18514 5181 1 19 . 1 1 33 33 ASN H H 40 8.257 8.257 7.675 0.582 18514 5182 1 19 . 1 1 34 34 SER N N 41 115.071 115.071 115.011 0.060 18514 5183 1 19 . 1 1 34 34 SER HA H 41 4.477 4.477 4.721 -0.244 18514 5184 1 19 . 1 1 34 34 SER C C 41 174.850 174.850 174.776 0.074 18514 5185 1 19 . 1 1 34 34 SER CA C 41 57.625 57.625 58.143 -0.518 18514 5186 1 19 . 1 1 34 34 SER CB C 41 65.000 65.000 64.480 0.520 18514 5187 1 19 . 1 1 34 34 SER H H 41 8.720 8.720 8.575 0.145 18514 5188 1 19 . 1 1 35 35 CYS N N 42 115.950 115.950 121.537 -5.587 18514 5189 1 19 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.716 0.964 18514 5190 1 19 . 1 1 35 35 CYS C C 42 174.850 174.850 174.594 0.256 18514 5191 1 19 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.444 1.339 18514 5192 1 19 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.852 7.096 18514 5193 1 19 . 1 1 35 35 CYS H H 42 8.696 8.696 9.041 -0.345 18514 5194 1 19 . 1 1 36 36 ALA N N 43 124.417 124.417 126.159 -1.742 18514 5195 1 19 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.490 -0.273 18514 5196 1 19 . 1 1 36 36 ALA C C 43 173.572 173.572 176.966 -3.394 18514 5197 1 19 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.530 2.799 18514 5198 1 19 . 1 1 36 36 ALA CB C 43 17.835 17.835 19.043 -1.208 18514 5199 1 19 . 1 1 36 36 ALA H H 43 8.002 8.002 7.648 0.354 18514 5200 1 19 . 1 1 37 37 GLY N N 44 113.524 113.524 111.164 2.360 18514 5201 1 19 . 1 1 37 37 GLY C C 44 170.263 170.263 174.443 -4.180 18514 5202 1 19 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.651 1.066 18514 5203 1 19 . 1 1 37 37 GLY H H 44 8.932 8.932 8.596 0.336 18514 5204 1 19 . 1 1 38 38 CYS N N 45 120.184 120.184 118.291 1.893 18514 5205 1 19 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.855 -0.779 18514 5206 1 19 . 1 1 38 38 CYS C C 45 170.263 170.263 175.062 -4.799 18514 5207 1 19 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.155 3.731 18514 5208 1 19 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.842 3.780 18514 5209 1 19 . 1 1 38 38 CYS H H 45 7.641 7.641 7.845 -0.203 18514 5210 1 19 . 1 1 39 39 HIS N N 46 118.156 118.156 117.785 0.371 18514 5211 1 19 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.751 0.299 18514 5212 1 19 . 1 1 39 39 HIS C C 46 174.223 174.223 174.960 -0.737 18514 5213 1 19 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.358 -0.869 18514 5214 1 19 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.943 -0.255 18514 5215 1 19 . 1 1 39 39 HIS H H 46 8.234 8.234 8.911 -0.677 18514 5216 1 19 . 1 1 40 40 CYS N N 47 118.354 118.354 117.522 0.832 18514 5217 1 19 . 1 1 40 40 CYS HA H 47 4.822 4.822 5.019 -0.197 18514 5218 1 19 . 1 1 40 40 CYS C C 47 176.296 176.296 174.339 1.957 18514 5219 1 19 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.885 -1.289 18514 5220 1 19 . 1 1 40 40 CYS CB C 47 33.238 33.238 28.282 4.956 18514 5221 1 19 . 1 1 40 40 CYS H H 47 7.403 7.403 7.866 -0.463 18514 5222 1 19 . 1 1 41 41 VAL N N 48 118.968 118.968 122.745 -3.777 18514 5223 1 19 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.292 -0.061 18514 5224 1 19 . 1 1 41 41 VAL C C 48 174.265 174.265 176.398 -2.133 18514 5225 1 19 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.524 -0.293 18514 5226 1 19 . 1 1 41 41 VAL CB C 48 34.698 34.698 34.244 0.454 18514 5227 1 19 . 1 1 41 41 VAL H H 48 8.205 8.205 9.015 -0.810 18514 5228 1 19 . 1 1 42 42 GLY N N 49 115.726 115.726 114.181 1.545 18514 5229 1 19 . 1 1 42 42 GLY C C 49 174.223 174.223 174.011 0.212 18514 5230 1 19 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.253 0.860 18514 5231 1 19 . 1 1 42 42 GLY H H 49 8.634 8.634 8.648 -0.014 18514 5232 1 19 . 1 1 43 43 CYS N N 50 119.917 119.917 119.704 0.213 18514 5233 1 19 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.371 -1.214 18514 5234 1 19 . 1 1 43 43 CYS C C 50 173.428 173.428 175.008 -1.580 18514 5235 1 19 . 1 1 43 43 CYS CA C 50 63.346 63.346 58.352 4.994 18514 5236 1 19 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.271 6.855 18514 5237 1 19 . 1 1 43 43 CYS H H 50 7.670 7.670 8.316 -0.646 18514 5238 1 19 . 1 1 44 44 LYS N N 51 128.057 128.057 130.529 -2.472 18514 5239 1 19 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.402 0.196 18514 5240 1 19 . 1 1 44 44 LYS C C 51 171.776 171.776 174.844 -3.068 18514 5241 1 19 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.581 -0.545 18514 5242 1 19 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.158 -0.433 18514 5243 1 19 . 1 1 44 44 LYS H H 51 7.934 7.934 8.268 -0.334 18514 5244 1 19 . 1 1 45 45 ASN N N 52 125.259 125.259 123.058 2.201 18514 5245 1 19 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.064 -0.296 18514 5246 1 19 . 1 1 45 45 ASN C C 52 171.776 171.776 174.361 -2.585 18514 5247 1 19 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.731 2.519 18514 5248 1 19 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.885 -0.365 18514 5249 1 19 . 1 1 45 45 ASN H H 52 9.076 9.076 8.211 0.865 18514 5250 1 19 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.295 0.168 18514 5251 1 19 . 1 1 46 46 PRO CA C 53 63.131 63.131 64.314 -1.183 18514 5252 1 19 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.128 0.203 18514 5253 1 19 . 1 1 47 47 HIS N N 54 121.186 121.186 117.442 3.744 18514 5254 1 19 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.645 -0.131 18514 5255 1 19 . 1 1 47 47 HIS C C 54 172.204 172.204 174.436 -2.232 18514 5256 1 19 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.960 -0.656 18514 5257 1 19 . 1 1 47 47 HIS CB C 54 27.908 27.908 30.930 -3.022 18514 5258 1 19 . 1 1 47 47 HIS H H 54 8.236 8.236 8.675 -0.439 18514 5259 1 19 . 1 1 48 48 LYS N N 55 123.556 123.556 119.047 4.509 18514 5260 1 19 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.575 -0.114 18514 5261 1 19 . 1 1 48 48 LYS C C 55 175.066 175.066 175.407 -0.341 18514 5262 1 19 . 1 1 48 48 LYS CA C 55 55.320 55.320 55.352 -0.032 18514 5263 1 19 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.432 -0.327 18514 5264 1 19 . 1 1 48 48 LYS H H 55 8.470 8.470 8.452 0.018 18514 5265 1 19 . 1 1 49 49 GLU N N 56 121.100 121.100 121.458 -0.358 18514 5266 1 19 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.348 0.003 18514 5267 1 19 . 1 1 49 49 GLU C C 56 173.210 173.210 175.261 -2.051 18514 5268 1 19 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.972 -0.609 18514 5269 1 19 . 1 1 49 49 GLU CB C 56 30.623 30.623 27.808 2.815 18514 5270 1 19 . 1 1 49 49 GLU H H 56 8.523 8.523 8.634 -0.111 18514 5271 1 19 . 1 1 50 50 ASP N N 57 121.579 121.579 123.459 -1.880 18514 5272 1 19 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.721 -0.052 18514 5273 1 19 . 1 1 50 50 ASP C C 57 173.845 173.845 175.184 -1.339 18514 5274 1 19 . 1 1 50 50 ASP CA C 57 54.291 54.291 53.735 0.556 18514 5275 1 19 . 1 1 50 50 ASP CB C 57 41.452 41.452 42.766 -1.314 18514 5276 1 19 . 1 1 50 50 ASP H H 57 8.396 8.396 8.043 0.353 18514 5277 1 19 . 1 1 51 51 TYR N N 58 120.844 120.844 125.666 -4.822 18514 5278 1 19 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.545 -0.028 18514 5279 1 19 . 1 1 51 51 TYR C C 58 173.968 173.968 175.578 -1.610 18514 5280 1 19 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.582 -0.786 18514 5281 1 19 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.818 0.140 18514 5282 1 19 . 1 1 51 51 TYR H H 58 8.176 8.176 8.364 -0.188 18514 5283 1 20 . 1 1 2 2 PRO HA H 9 4.783 4.783 4.717 0.066 18514 5284 1 20 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.312 -0.505 18514 5285 1 20 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.274 -0.483 18514 5286 1 20 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.574 -0.171 18514 5287 1 20 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.905 -0.171 18514 5288 1 20 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.740 -0.852 18514 5289 1 20 . 1 1 4 4 LYS N N 11 124.307 124.307 120.697 3.610 18514 5290 1 20 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.819 -0.304 18514 5291 1 20 . 1 1 4 4 LYS C C 11 173.272 173.272 174.169 -0.897 18514 5292 1 20 . 1 1 4 4 LYS CA C 11 54.281 54.281 53.212 1.069 18514 5293 1 20 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.186 -0.266 18514 5294 1 20 . 1 1 4 4 LYS H H 11 8.380 8.380 8.166 0.214 18514 5295 1 20 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.296 0.140 18514 5296 1 20 . 1 1 5 5 PRO C C 12 127.380 127.380 175.658 -48.278 18514 5297 1 20 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.919 -0.126 18514 5298 1 20 . 1 1 5 5 PRO CB C 12 32.082 32.082 31.859 0.223 18514 5299 1 20 . 1 1 6 6 LYS N N 13 118.851 118.851 119.217 -0.366 18514 5300 1 20 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.628 0.519 18514 5301 1 20 . 1 1 6 6 LYS C C 13 173.408 173.408 175.078 -1.670 18514 5302 1 20 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.182 0.275 18514 5303 1 20 . 1 1 6 6 LYS CB C 13 34.841 34.841 34.564 0.277 18514 5304 1 20 . 1 1 6 6 LYS H H 13 8.064 8.064 8.277 -0.213 18514 5305 1 20 . 1 1 7 7 CYS N N 14 127.385 127.385 115.869 11.516 18514 5306 1 20 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.966 0.262 18514 5307 1 20 . 1 1 7 7 CYS C C 14 173.408 173.408 174.019 -0.611 18514 5308 1 20 . 1 1 7 7 CYS CA C 14 56.592 56.592 57.003 -0.411 18514 5309 1 20 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.519 3.342 18514 5310 1 20 . 1 1 7 7 CYS H H 14 9.943 9.943 8.415 1.528 18514 5311 1 20 . 1 1 8 8 ARG N N 15 117.940 117.940 118.578 -0.638 18514 5312 1 20 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.635 -0.289 18514 5313 1 20 . 1 1 8 8 ARG C C 15 175.808 175.808 175.839 -0.031 18514 5314 1 20 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.414 -1.043 18514 5315 1 20 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.590 0.141 18514 5316 1 20 . 1 1 8 8 ARG H H 15 8.835 8.835 8.689 0.146 18514 5317 1 20 . 1 1 9 9 CYS N N 16 122.323 122.323 118.911 3.412 18514 5318 1 20 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.292 -0.268 18514 5319 1 20 . 1 1 9 9 CYS C C 16 174.360 174.360 175.750 -1.390 18514 5320 1 20 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.868 -0.630 18514 5321 1 20 . 1 1 9 9 CYS CB C 16 32.451 32.451 24.802 7.649 18514 5322 1 20 . 1 1 9 9 CYS H H 16 7.433 7.433 8.483 -1.050 18514 5323 1 20 . 1 1 10 10 GLY N N 17 108.065 108.065 114.965 -6.900 18514 5324 1 20 . 1 1 10 10 GLY C C 17 174.518 174.518 175.625 -1.107 18514 5325 1 20 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.465 0.095 18514 5326 1 20 . 1 1 10 10 GLY H H 17 8.788 8.788 8.458 0.330 18514 5327 1 20 . 1 1 11 11 ILE N N 18 118.990 118.990 122.319 -3.329 18514 5328 1 20 . 1 1 11 11 ILE HA H 18 3.977 3.977 3.933 0.044 18514 5329 1 20 . 1 1 11 11 ILE C C 18 173.820 173.820 176.627 -2.807 18514 5330 1 20 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.213 0.377 18514 5331 1 20 . 1 1 11 11 ILE CB C 18 38.724 38.724 37.553 1.171 18514 5332 1 20 . 1 1 11 11 ILE H H 18 7.557 7.557 8.156 -0.599 18514 5333 1 20 . 1 1 12 12 SER N N 19 116.128 116.128 114.737 1.391 18514 5334 1 20 . 1 1 12 12 SER HA H 19 4.510 4.510 4.632 -0.122 18514 5335 1 20 . 1 1 12 12 SER C C 19 172.948 172.948 174.034 -1.086 18514 5336 1 20 . 1 1 12 12 SER CA C 19 58.200 58.200 57.711 0.489 18514 5337 1 20 . 1 1 12 12 SER CB C 19 63.800 63.800 62.968 0.832 18514 5338 1 20 . 1 1 12 12 SER H H 19 8.418 8.418 7.947 0.471 18514 5339 1 20 . 1 1 13 13 GLY N N 20 110.984 110.984 113.098 -2.114 18514 5340 1 20 . 1 1 13 13 GLY C C 20 172.948 172.948 174.416 -1.468 18514 5341 1 20 . 1 1 13 13 GLY CA C 20 45.398 45.398 44.965 0.433 18514 5342 1 20 . 1 1 13 13 GLY H H 20 8.243 8.243 8.365 -0.122 18514 5343 1 20 . 1 1 14 14 SER N N 21 114.951 114.951 116.763 -1.812 18514 5344 1 20 . 1 1 14 14 SER HA H 21 4.535 4.535 4.490 0.045 18514 5345 1 20 . 1 1 14 14 SER C C 21 175.376 175.376 174.780 0.596 18514 5346 1 20 . 1 1 14 14 SER CA C 21 57.930 57.930 60.090 -2.160 18514 5347 1 20 . 1 1 14 14 SER CB C 21 64.080 64.080 63.694 0.387 18514 5348 1 20 . 1 1 14 14 SER H H 21 8.250 8.250 8.348 -0.098 18514 5349 1 20 . 1 1 15 15 SER N N 22 118.334 118.334 118.348 -0.014 18514 5350 1 20 . 1 1 15 15 SER HA H 22 4.449 4.449 4.506 -0.057 18514 5351 1 20 . 1 1 15 15 SER C C 22 174.863 174.863 173.564 1.299 18514 5352 1 20 . 1 1 15 15 SER CA C 22 57.767 57.767 58.109 -0.342 18514 5353 1 20 . 1 1 15 15 SER CB C 22 63.598 63.598 63.059 0.539 18514 5354 1 20 . 1 1 15 15 SER H H 22 8.427 8.427 8.176 0.251 18514 5355 1 20 . 1 1 16 16 ASN N N 23 120.784 120.784 122.281 -1.497 18514 5356 1 20 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.447 0.363 18514 5357 1 20 . 1 1 16 16 ASN C C 23 175.364 175.364 174.569 0.795 18514 5358 1 20 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.909 -0.735 18514 5359 1 20 . 1 1 16 16 ASN CB C 23 38.467 38.467 37.818 0.649 18514 5360 1 20 . 1 1 16 16 ASN H H 23 8.453 8.453 8.972 -0.519 18514 5361 1 20 . 1 1 17 17 THR N N 24 115.660 115.660 112.193 3.467 18514 5362 1 20 . 1 1 17 17 THR HA H 24 4.346 4.346 4.488 -0.142 18514 5363 1 20 . 1 1 17 17 THR C C 24 173.428 173.428 175.005 -1.577 18514 5364 1 20 . 1 1 17 17 THR CA C 24 62.126 62.126 64.192 -2.066 18514 5365 1 20 . 1 1 17 17 THR CB C 24 68.777 68.777 69.764 -0.987 18514 5366 1 20 . 1 1 17 17 THR H H 24 8.417 8.417 8.533 -0.116 18514 5367 1 20 . 1 1 18 18 LEU N N 25 121.190 121.190 118.103 3.087 18514 5368 1 20 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.451 -0.157 18514 5369 1 20 . 1 1 18 18 LEU C C 25 173.951 173.951 177.164 -3.213 18514 5370 1 20 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.408 -0.160 18514 5371 1 20 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.645 -0.338 18514 5372 1 20 . 1 1 18 18 LEU H H 25 8.218 8.218 7.963 0.255 18514 5373 1 20 . 1 1 19 19 THR N N 26 106.988 106.988 112.538 -5.550 18514 5374 1 20 . 1 1 19 19 THR HA H 26 4.230 4.230 4.380 -0.150 18514 5375 1 20 . 1 1 19 19 THR C C 26 171.429 171.429 175.225 -3.796 18514 5376 1 20 . 1 1 19 19 THR CA C 26 60.631 60.631 62.237 -1.606 18514 5377 1 20 . 1 1 19 19 THR CB C 26 68.296 68.296 68.295 0.001 18514 5378 1 20 . 1 1 19 19 THR H H 26 7.791 7.791 7.937 -0.146 18514 5379 1 20 . 1 1 20 20 THR N N 27 121.441 121.441 118.673 2.768 18514 5380 1 20 . 1 1 20 20 THR HA H 27 3.976 3.976 4.151 -0.175 18514 5381 1 20 . 1 1 20 20 THR C C 27 175.121 175.121 175.793 -0.672 18514 5382 1 20 . 1 1 20 20 THR CA C 27 68.900 68.900 65.497 3.403 18514 5383 1 20 . 1 1 20 20 THR CB C 27 65.100 65.100 68.327 -3.227 18514 5384 1 20 . 1 1 20 20 THR H H 27 7.370 7.370 8.396 -1.026 18514 5385 1 20 . 1 1 21 21 CYS N N 28 121.174 121.174 118.729 2.445 18514 5386 1 20 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.577 -0.567 18514 5387 1 20 . 1 1 21 21 CYS C C 28 174.930 174.930 174.923 0.007 18514 5388 1 20 . 1 1 21 21 CYS CA C 28 59.809 59.809 59.368 0.441 18514 5389 1 20 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.459 5.298 18514 5390 1 20 . 1 1 21 21 CYS H H 28 9.321 9.321 8.356 0.965 18514 5391 1 20 . 1 1 22 22 ARG N N 29 115.643 115.643 117.628 -1.985 18514 5392 1 20 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.722 -0.499 18514 5393 1 20 . 1 1 22 22 ARG C C 29 177.619 177.619 174.673 2.946 18514 5394 1 20 . 1 1 22 22 ARG CA C 29 52.830 52.830 55.916 -3.086 18514 5395 1 20 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.096 1.172 18514 5396 1 20 . 1 1 22 22 ARG H H 29 7.880 7.880 7.996 -0.116 18514 5397 1 20 . 1 1 23 23 ASN N N 30 113.854 113.854 117.360 -3.506 18514 5398 1 20 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.634 -0.048 18514 5399 1 20 . 1 1 23 23 ASN C C 30 174.972 174.972 175.437 -0.465 18514 5400 1 20 . 1 1 23 23 ASN CA C 30 51.476 51.476 52.077 -0.601 18514 5401 1 20 . 1 1 23 23 ASN CB C 30 41.353 41.353 39.316 2.037 18514 5402 1 20 . 1 1 23 23 ASN H H 30 6.816 6.816 7.476 -0.660 18514 5403 1 20 . 1 1 24 24 SER N N 31 113.788 113.788 113.802 -0.014 18514 5404 1 20 . 1 1 24 24 SER HA H 31 4.172 4.172 4.429 -0.257 18514 5405 1 20 . 1 1 24 24 SER C C 31 174.820 174.820 174.980 -0.160 18514 5406 1 20 . 1 1 24 24 SER CA C 31 61.080 61.080 60.211 0.869 18514 5407 1 20 . 1 1 24 24 SER CB C 31 63.425 63.425 63.003 0.422 18514 5408 1 20 . 1 1 24 24 SER H H 31 8.873 8.873 8.687 0.186 18514 5409 1 20 . 1 1 25 25 ARG N N 32 119.696 119.696 118.821 0.875 18514 5410 1 20 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.469 -0.262 18514 5411 1 20 . 1 1 25 25 ARG C C 32 175.482 175.482 176.205 -0.723 18514 5412 1 20 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.695 1.323 18514 5413 1 20 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.911 -1.179 18514 5414 1 20 . 1 1 25 25 ARG H H 32 8.104 8.104 7.997 0.107 18514 5415 1 20 . 1 1 26 26 CYS N N 33 123.061 123.061 123.035 0.026 18514 5416 1 20 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.937 -0.250 18514 5417 1 20 . 1 1 26 26 CYS C C 33 173.064 173.064 174.167 -1.103 18514 5418 1 20 . 1 1 26 26 CYS CA C 33 55.700 55.700 56.171 -0.471 18514 5419 1 20 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.013 3.941 18514 5420 1 20 . 1 1 26 26 CYS H H 33 7.766 7.766 7.818 -0.052 18514 5421 1 20 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.187 0.105 18514 5422 1 20 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.185 -0.919 18514 5423 1 20 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.619 0.539 18514 5424 1 20 . 1 1 28 28 CYS N N 35 129.050 129.050 115.535 13.515 18514 5425 1 20 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.191 -0.561 18514 5426 1 20 . 1 1 28 28 CYS C C 35 171.254 171.254 176.600 -5.346 18514 5427 1 20 . 1 1 28 28 CYS CA C 35 62.585 62.585 63.107 -0.522 18514 5428 1 20 . 1 1 28 28 CYS CB C 35 29.247 29.247 25.938 3.309 18514 5429 1 20 . 1 1 28 28 CYS H H 35 8.368 8.368 8.046 0.322 18514 5430 1 20 . 1 1 29 29 TYR N N 36 124.364 124.364 121.419 2.945 18514 5431 1 20 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.032 0.028 18514 5432 1 20 . 1 1 29 29 TYR C C 36 172.650 172.650 177.371 -4.721 18514 5433 1 20 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.442 0.679 18514 5434 1 20 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.315 -0.394 18514 5435 1 20 . 1 1 29 29 TYR H H 36 8.197 8.197 7.815 0.382 18514 5436 1 20 . 1 1 30 30 LYS N N 37 117.214 117.214 116.825 0.389 18514 5437 1 20 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.710 0.069 18514 5438 1 20 . 1 1 30 30 LYS C C 37 172.650 172.650 177.795 -5.145 18514 5439 1 20 . 1 1 30 30 LYS CA C 37 58.396 58.396 57.722 0.674 18514 5440 1 20 . 1 1 30 30 LYS CB C 37 32.632 32.632 31.958 0.674 18514 5441 1 20 . 1 1 30 30 LYS H H 37 8.441 8.441 7.630 0.810 18514 5442 1 20 . 1 1 31 31 SER N N 38 109.671 109.671 112.808 -3.137 18514 5443 1 20 . 1 1 31 31 SER HA H 38 4.348 4.348 4.113 0.235 18514 5444 1 20 . 1 1 31 31 SER C C 38 173.566 173.566 173.843 -0.277 18514 5445 1 20 . 1 1 31 31 SER CA C 38 56.469 56.469 58.273 -1.804 18514 5446 1 20 . 1 1 31 31 SER CB C 38 63.461 63.461 63.493 -0.032 18514 5447 1 20 . 1 1 31 31 SER H H 38 7.180 7.180 7.327 -0.147 18514 5448 1 20 . 1 1 32 32 TYR N N 39 116.096 116.096 114.220 1.876 18514 5449 1 20 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.261 -0.174 18514 5450 1 20 . 1 1 32 32 TYR C C 39 176.728 176.728 174.457 2.271 18514 5451 1 20 . 1 1 32 32 TYR CA C 39 58.616 58.616 58.972 -0.356 18514 5452 1 20 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.665 -0.115 18514 5453 1 20 . 1 1 32 32 TYR H H 39 7.410 7.410 6.957 0.453 18514 5454 1 20 . 1 1 33 33 ASN N N 40 116.549 116.549 117.329 -0.780 18514 5455 1 20 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.970 0.033 18514 5456 1 20 . 1 1 33 33 ASN C C 40 176.083 176.083 174.429 1.654 18514 5457 1 20 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.557 -0.413 18514 5458 1 20 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.538 2.016 18514 5459 1 20 . 1 1 33 33 ASN H H 40 8.257 8.257 7.976 0.281 18514 5460 1 20 . 1 1 34 34 SER N N 41 115.071 115.071 113.831 1.240 18514 5461 1 20 . 1 1 34 34 SER HA H 41 4.477 4.477 5.069 -0.592 18514 5462 1 20 . 1 1 34 34 SER C C 41 174.850 174.850 175.380 -0.530 18514 5463 1 20 . 1 1 34 34 SER CA C 41 57.625 57.625 57.444 0.181 18514 5464 1 20 . 1 1 34 34 SER CB C 41 65.000 65.000 64.991 0.009 18514 5465 1 20 . 1 1 34 34 SER H H 41 8.720 8.720 8.340 0.380 18514 5466 1 20 . 1 1 35 35 CYS N N 42 115.950 115.950 122.384 -6.434 18514 5467 1 20 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.651 1.029 18514 5468 1 20 . 1 1 35 35 CYS C C 42 174.850 174.850 175.114 -0.264 18514 5469 1 20 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.214 1.570 18514 5470 1 20 . 1 1 35 35 CYS CB C 42 31.948 31.948 24.551 7.397 18514 5471 1 20 . 1 1 35 35 CYS H H 42 8.696 8.696 9.012 -0.316 18514 5472 1 20 . 1 1 36 36 ALA N N 43 124.417 124.417 126.746 -2.329 18514 5473 1 20 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.525 -0.308 18514 5474 1 20 . 1 1 36 36 ALA C C 43 173.572 173.572 176.842 -3.270 18514 5475 1 20 . 1 1 36 36 ALA CA C 43 54.329 54.329 51.494 2.835 18514 5476 1 20 . 1 1 36 36 ALA CB C 43 17.835 17.835 19.914 -2.079 18514 5477 1 20 . 1 1 36 36 ALA H H 43 8.002 8.002 7.575 0.427 18514 5478 1 20 . 1 1 37 37 GLY N N 44 113.524 113.524 111.273 2.251 18514 5479 1 20 . 1 1 37 37 GLY C C 44 170.263 170.263 174.722 -4.459 18514 5480 1 20 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.681 1.036 18514 5481 1 20 . 1 1 37 37 GLY H H 44 8.932 8.932 8.658 0.274 18514 5482 1 20 . 1 1 38 38 CYS N N 45 120.184 120.184 118.329 1.855 18514 5483 1 20 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.537 -0.461 18514 5484 1 20 . 1 1 38 38 CYS C C 45 170.263 170.263 174.370 -4.107 18514 5485 1 20 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.372 3.514 18514 5486 1 20 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.198 4.424 18514 5487 1 20 . 1 1 38 38 CYS H H 45 7.641 7.641 7.778 -0.137 18514 5488 1 20 . 1 1 39 39 HIS N N 46 118.156 118.156 120.253 -2.097 18514 5489 1 20 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.751 0.299 18514 5490 1 20 . 1 1 39 39 HIS C C 46 174.223 174.223 174.834 -0.611 18514 5491 1 20 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.821 -1.332 18514 5492 1 20 . 1 1 39 39 HIS CB C 46 29.688 29.688 30.354 -0.666 18514 5493 1 20 . 1 1 39 39 HIS H H 46 8.234 8.234 9.048 -0.814 18514 5494 1 20 . 1 1 40 40 CYS N N 47 118.354 118.354 116.774 1.580 18514 5495 1 20 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.754 0.068 18514 5496 1 20 . 1 1 40 40 CYS C C 47 176.296 176.296 174.397 1.899 18514 5497 1 20 . 1 1 40 40 CYS CA C 47 55.596 55.596 55.997 -0.401 18514 5498 1 20 . 1 1 40 40 CYS CB C 47 33.238 33.238 28.453 4.785 18514 5499 1 20 . 1 1 40 40 CYS H H 47 7.403 7.403 7.864 -0.461 18514 5500 1 20 . 1 1 41 41 VAL N N 48 118.968 118.968 123.721 -4.753 18514 5501 1 20 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.249 -0.018 18514 5502 1 20 . 1 1 41 41 VAL C C 48 174.265 174.265 175.989 -1.724 18514 5503 1 20 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.659 -0.428 18514 5504 1 20 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.857 0.841 18514 5505 1 20 . 1 1 41 41 VAL H H 48 8.205 8.205 8.442 -0.237 18514 5506 1 20 . 1 1 42 42 GLY N N 49 115.726 115.726 114.581 1.145 18514 5507 1 20 . 1 1 42 42 GLY C C 49 174.223 174.223 173.706 0.517 18514 5508 1 20 . 1 1 42 42 GLY CA C 49 46.113 46.113 44.937 1.176 18514 5509 1 20 . 1 1 42 42 GLY H H 49 8.634 8.634 8.620 0.014 18514 5510 1 20 . 1 1 43 43 CYS N N 50 119.917 119.917 120.213 -0.296 18514 5511 1 20 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.472 -1.315 18514 5512 1 20 . 1 1 43 43 CYS C C 50 173.428 173.428 174.938 -1.510 18514 5513 1 20 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.848 5.498 18514 5514 1 20 . 1 1 43 43 CYS CB C 50 33.126 33.126 26.416 6.710 18514 5515 1 20 . 1 1 43 43 CYS H H 50 7.670 7.670 8.286 -0.616 18514 5516 1 20 . 1 1 44 44 LYS N N 51 128.057 128.057 130.490 -2.433 18514 5517 1 20 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.361 0.237 18514 5518 1 20 . 1 1 44 44 LYS C C 51 171.776 171.776 174.781 -3.005 18514 5519 1 20 . 1 1 44 44 LYS CA C 51 54.036 54.036 55.371 -1.335 18514 5520 1 20 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.787 -1.062 18514 5521 1 20 . 1 1 44 44 LYS H H 51 7.934 7.934 8.337 -0.403 18514 5522 1 20 . 1 1 45 45 ASN N N 52 125.259 125.259 123.168 2.091 18514 5523 1 20 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.111 -0.344 18514 5524 1 20 . 1 1 45 45 ASN C C 52 171.776 171.776 174.293 -2.517 18514 5525 1 20 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.855 2.395 18514 5526 1 20 . 1 1 45 45 ASN CB C 52 39.520 39.520 39.795 -0.275 18514 5527 1 20 . 1 1 45 45 ASN H H 52 9.076 9.076 8.211 0.865 18514 5528 1 20 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.366 0.097 18514 5529 1 20 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.732 -0.601 18514 5530 1 20 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.162 0.169 18514 5531 1 20 . 1 1 47 47 HIS N N 54 121.186 121.186 119.743 1.443 18514 5532 1 20 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.585 -0.071 18514 5533 1 20 . 1 1 47 47 HIS C C 54 172.204 172.204 174.259 -2.055 18514 5534 1 20 . 1 1 47 47 HIS CA C 54 56.304 56.304 56.167 0.137 18514 5535 1 20 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.394 -1.486 18514 5536 1 20 . 1 1 47 47 HIS H H 54 8.236 8.236 8.366 -0.130 18514 5537 1 20 . 1 1 48 48 LYS N N 55 123.556 123.556 124.450 -0.894 18514 5538 1 20 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.649 -0.188 18514 5539 1 20 . 1 1 48 48 LYS C C 55 175.066 175.066 176.689 -1.623 18514 5540 1 20 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.214 1.106 18514 5541 1 20 . 1 1 48 48 LYS CB C 55 34.106 34.106 34.251 -0.145 18514 5542 1 20 . 1 1 48 48 LYS H H 55 8.470 8.470 8.184 0.286 18514 5543 1 20 . 1 1 49 49 GLU N N 56 121.100 121.100 121.093 0.007 18514 5544 1 20 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.379 -0.028 18514 5545 1 20 . 1 1 49 49 GLU C C 56 173.210 173.210 175.695 -2.485 18514 5546 1 20 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.738 -0.375 18514 5547 1 20 . 1 1 49 49 GLU CB C 56 30.623 30.623 28.407 2.216 18514 5548 1 20 . 1 1 49 49 GLU H H 56 8.523 8.523 8.828 -0.305 18514 5549 1 20 . 1 1 50 50 ASP N N 57 121.579 121.579 123.109 -1.530 18514 5550 1 20 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.618 0.051 18514 5551 1 20 . 1 1 50 50 ASP C C 57 173.845 173.845 175.435 -1.590 18514 5552 1 20 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.567 -0.276 18514 5553 1 20 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.935 -0.483 18514 5554 1 20 . 1 1 50 50 ASP H H 57 8.396 8.396 8.330 0.066 18514 5555 1 20 . 1 1 51 51 TYR N N 58 120.844 120.844 123.550 -2.706 18514 5556 1 20 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.409 0.108 18514 5557 1 20 . 1 1 51 51 TYR C C 58 173.968 173.968 174.426 -0.458 18514 5558 1 20 . 1 1 51 51 TYR CA C 58 57.796 57.796 58.767 -0.971 18514 5559 1 20 . 1 1 51 51 TYR CB C 58 38.958 38.958 37.903 1.055 18514 5560 1 20 . 1 1 51 51 TYR H H 58 8.176 8.176 8.072 0.104 18514 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 45 3.744 0.409 3.763 18514 2 1 1 "Average Difference" HA 54 0.377 0.071 0.374 18514 3 1 1 "Average Difference" C 46 7.485 2.281 7.208 18514 4 1 1 "Average Difference" CA 50 1.489 -0.186 1.492 18514 5 1 1 "Average Difference" CB 46 2.581 -0.908 2.443 18514 6 1 1 "Average Difference" HN 45 0.519 0.030 0.524 18514 7 1 2 "Average Difference" N 45 3.891 -0.012 3.935 18514 8 1 2 "Average Difference" HA 54 0.374 0.078 0.369 18514 9 1 2 "Average Difference" C 46 7.509 2.183 7.264 18514 10 1 2 "Average Difference" CA 50 1.513 -0.170 1.519 18514 11 1 2 "Average Difference" CB 46 2.582 -0.844 2.468 18514 12 1 2 "Average Difference" HN 45 0.464 -0.011 0.469 18514 13 1 3 "Average Difference" N 45 3.548 -0.204 3.582 18514 14 1 3 "Average Difference" HA 54 0.457 0.051 0.458 18514 15 1 3 "Average Difference" C 46 7.549 2.418 7.230 18514 16 1 3 "Average Difference" CA 50 1.698 -0.041 1.715 18514 17 1 3 "Average Difference" CB 46 2.442 -1.001 2.252 18514 18 1 3 "Average Difference" HN 45 0.503 -0.039 0.507 18514 19 1 4 "Average Difference" N 45 3.258 -0.165 3.291 18514 20 1 4 "Average Difference" HA 54 0.364 0.070 0.360 18514 21 1 4 "Average Difference" C 46 7.544 2.292 7.267 18514 22 1 4 "Average Difference" CA 50 1.371 -0.174 1.374 18514 23 1 4 "Average Difference" CB 46 2.522 -0.877 2.391 18514 24 1 4 "Average Difference" HN 45 0.499 -0.036 0.504 18514 25 1 5 "Average Difference" N 45 3.622 0.286 3.651 18514 26 1 5 "Average Difference" HA 54 0.391 0.084 0.386 18514 27 1 5 "Average Difference" C 46 7.474 2.303 7.188 18514 28 1 5 "Average Difference" CA 50 1.453 -0.046 1.467 18514 29 1 5 "Average Difference" CB 46 2.640 -0.847 2.529 18514 30 1 5 "Average Difference" HN 45 0.473 -0.041 0.476 18514 31 1 6 "Average Difference" N 45 3.430 0.112 3.467 18514 32 1 6 "Average Difference" HA 54 0.386 0.070 0.383 18514 33 1 6 "Average Difference" C 46 7.545 2.342 7.252 18514 34 1 6 "Average Difference" CA 50 1.360 -0.110 1.369 18514 35 1 6 "Average Difference" CB 46 2.635 -1.019 2.457 18514 36 1 6 "Average Difference" HN 45 0.491 -0.049 0.494 18514 37 1 7 "Average Difference" N 45 3.570 -0.258 3.600 18514 38 1 7 "Average Difference" HA 54 0.423 0.056 0.423 18514 39 1 7 "Average Difference" C 46 7.487 2.409 7.167 18514 40 1 7 "Average Difference" CA 50 1.759 -0.180 1.767 18514 41 1 7 "Average Difference" CB 46 2.321 -0.983 2.126 18514 42 1 7 "Average Difference" HN 45 0.524 -0.092 0.521 18514 43 1 8 "Average Difference" N 45 3.756 0.159 3.795 18514 44 1 8 "Average Difference" HA 54 0.377 0.062 0.375 18514 45 1 8 "Average Difference" C 46 7.476 2.230 7.214 18514 46 1 8 "Average Difference" CA 50 1.549 -0.079 1.562 18514 47 1 8 "Average Difference" CB 46 2.548 -0.777 2.453 18514 48 1 8 "Average Difference" HN 45 0.499 0.047 0.503 18514 49 1 9 "Average Difference" N 45 3.573 -0.309 3.600 18514 50 1 9 "Average Difference" HA 54 0.379 0.088 0.373 18514 51 1 9 "Average Difference" C 46 7.507 2.273 7.234 18514 52 1 9 "Average Difference" CA 50 1.304 -0.096 1.314 18514 53 1 9 "Average Difference" CB 46 2.631 -0.764 2.546 18514 54 1 9 "Average Difference" HN 45 0.496 -0.003 0.502 18514 55 1 10 "Average Difference" N 45 3.354 0.146 3.389 18514 56 1 10 "Average Difference" HA 54 0.394 0.079 0.389 18514 57 1 10 "Average Difference" C 46 7.470 2.301 7.185 18514 58 1 10 "Average Difference" CA 50 1.542 -0.180 1.547 18514 59 1 10 "Average Difference" CB 46 2.693 -1.007 2.525 18514 60 1 10 "Average Difference" HN 45 0.503 -0.045 0.507 18514 61 1 11 "Average Difference" N 45 3.339 -0.257 3.367 18514 62 1 11 "Average Difference" HA 54 0.398 0.072 0.395 18514 63 1 11 "Average Difference" C 46 7.510 2.460 7.174 18514 64 1 11 "Average Difference" CA 50 1.582 -0.050 1.597 18514 65 1 11 "Average Difference" CB 46 2.538 -0.961 2.375 18514 66 1 11 "Average Difference" HN 45 0.521 -0.061 0.523 18514 67 1 12 "Average Difference" N 45 3.553 -0.379 3.572 18514 68 1 12 "Average Difference" HA 54 0.355 0.069 0.351 18514 69 1 12 "Average Difference" C 46 7.432 2.403 7.110 18514 70 1 12 "Average Difference" CA 50 1.614 -0.019 1.631 18514 71 1 12 "Average Difference" CB 46 2.526 -0.939 2.370 18514 72 1 12 "Average Difference" HN 45 0.503 -0.043 0.507 18514 73 1 13 "Average Difference" N 45 3.984 0.235 4.022 18514 74 1 13 "Average Difference" HA 54 0.355 0.054 0.354 18514 75 1 13 "Average Difference" C 46 7.575 2.333 7.287 18514 76 1 13 "Average Difference" CA 50 1.597 -0.020 1.613 18514 77 1 13 "Average Difference" CB 46 2.649 -0.974 2.491 18514 78 1 13 "Average Difference" HN 45 0.507 0.047 0.511 18514 79 1 14 "Average Difference" N 45 3.348 -0.203 3.379 18514 80 1 14 "Average Difference" HA 54 0.363 0.062 0.362 18514 81 1 14 "Average Difference" C 46 7.502 2.411 7.183 18514 82 1 14 "Average Difference" CA 50 1.433 -0.092 1.445 18514 83 1 14 "Average Difference" CB 46 2.572 -1.098 2.352 18514 84 1 14 "Average Difference" HN 45 0.462 0.030 0.466 18514 85 1 15 "Average Difference" N 45 3.747 -0.356 3.772 18514 86 1 15 "Average Difference" HA 54 0.409 0.048 0.410 18514 87 1 15 "Average Difference" C 46 7.490 2.396 7.175 18514 88 1 15 "Average Difference" CA 50 1.656 0.021 1.672 18514 89 1 15 "Average Difference" CB 46 2.451 -1.034 2.247 18514 90 1 15 "Average Difference" HN 45 0.495 0.011 0.501 18514 91 1 16 "Average Difference" N 45 3.683 -0.327 3.710 18514 92 1 16 "Average Difference" HA 54 0.451 0.085 0.447 18514 93 1 16 "Average Difference" C 46 7.523 2.363 7.221 18514 94 1 16 "Average Difference" CA 50 1.654 -0.180 1.661 18514 95 1 16 "Average Difference" CB 46 2.589 -0.952 2.434 18514 96 1 16 "Average Difference" HN 45 0.485 -0.082 0.484 18514 97 1 17 "Average Difference" N 45 3.639 0.408 3.656 18514 98 1 17 "Average Difference" HA 54 0.394 0.031 0.396 18514 99 1 17 "Average Difference" C 46 7.525 2.324 7.237 18514 100 1 17 "Average Difference" CA 50 1.397 -0.126 1.405 18514 101 1 17 "Average Difference" CB 46 2.603 -0.999 2.431 18514 102 1 17 "Average Difference" HN 45 0.490 -0.031 0.495 18514 103 1 18 "Average Difference" N 45 3.461 -0.375 3.479 18514 104 1 18 "Average Difference" HA 54 0.377 0.069 0.374 18514 105 1 18 "Average Difference" C 46 7.509 2.407 7.191 18514 106 1 18 "Average Difference" CA 50 1.501 -0.011 1.516 18514 107 1 18 "Average Difference" CB 46 2.424 -0.899 2.275 18514 108 1 18 "Average Difference" HN 45 0.483 -0.011 0.488 18514 109 1 19 "Average Difference" N 45 3.483 -0.472 3.490 18514 110 1 19 "Average Difference" HA 54 0.355 0.058 0.353 18514 111 1 19 "Average Difference" C 46 7.505 2.228 7.246 18514 112 1 19 "Average Difference" CA 50 1.403 -0.137 1.411 18514 113 1 19 "Average Difference" CB 46 2.519 -0.864 2.393 18514 114 1 19 "Average Difference" HN 45 0.479 -0.030 0.483 18514 115 1 20 "Average Difference" N 45 3.734 -0.174 3.772 18514 116 1 20 "Average Difference" HA 54 0.350 0.069 0.346 18514 117 1 20 "Average Difference" C 46 7.466 2.278 7.188 18514 118 1 20 "Average Difference" CA 50 1.509 -0.115 1.520 18514 119 1 20 "Average Difference" CB 46 2.593 -1.047 2.398 18514 120 1 20 "Average Difference" HN 45 0.502 -0.019 0.507 18514 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 18514 _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 PRO HA H 9 4.783 4.783 4.750 0.033 18514 2 1 . 1 1 2 2 PRO CA C 9 61.807 61.807 62.193 -0.386 18514 3 1 . 1 1 2 2 PRO CB C 9 30.791 30.791 31.496 -0.705 18514 4 1 . 1 1 3 3 PRO HA H 10 4.403 4.403 4.505 -0.102 18514 5 1 . 1 1 3 3 PRO CA C 10 62.734 62.734 62.902 -0.168 18514 6 1 . 1 1 3 3 PRO CB C 10 31.888 31.888 32.372 -0.484 18514 7 1 . 1 1 4 4 LYS N N 11 124.307 124.307 123.405 0.902 18514 8 1 . 1 1 4 4 LYS HA H 11 4.515 4.515 4.593 -0.078 18514 9 1 . 1 1 4 4 LYS C C 11 173.272 173.272 174.710 -1.438 18514 10 1 . 1 1 4 4 LYS CA C 11 54.281 54.281 54.033 0.248 18514 11 1 . 1 1 4 4 LYS CB C 11 31.920 31.920 32.402 -0.482 18514 12 1 . 1 1 4 4 LYS H H 11 8.380 8.380 8.210 0.171 18514 13 1 . 1 1 5 5 PRO HA H 12 4.436 4.436 4.375 0.061 18514 14 1 . 1 1 5 5 PRO C C 12 127.380 127.380 175.725 -48.345 18514 15 1 . 1 1 5 5 PRO CA C 12 62.793 62.793 62.898 -0.105 18514 16 1 . 1 1 5 5 PRO CB C 12 32.082 32.082 32.176 -0.094 18514 17 1 . 1 1 6 6 LYS N N 13 118.851 118.851 120.347 -1.496 18514 18 1 . 1 1 6 6 LYS HA H 13 5.147 5.147 4.591 0.556 18514 19 1 . 1 1 6 6 LYS C C 13 173.408 173.408 175.749 -2.341 18514 20 1 . 1 1 6 6 LYS CA C 13 54.457 54.457 54.616 -0.159 18514 21 1 . 1 1 6 6 LYS CB C 13 34.841 34.841 34.328 0.513 18514 22 1 . 1 1 6 6 LYS H H 13 8.064 8.064 8.195 -0.131 18514 23 1 . 1 1 7 7 CYS N N 14 127.385 127.385 119.166 8.219 18514 24 1 . 1 1 7 7 CYS HA H 14 5.228 5.228 4.874 0.354 18514 25 1 . 1 1 7 7 CYS C C 14 173.408 173.408 174.452 -1.044 18514 26 1 . 1 1 7 7 CYS CA C 14 56.592 56.592 56.852 -0.260 18514 27 1 . 1 1 7 7 CYS CB C 14 34.861 34.861 31.014 3.847 18514 28 1 . 1 1 7 7 CYS H H 14 9.943 9.943 8.413 1.530 18514 29 1 . 1 1 8 8 ARG N N 15 117.940 117.940 119.574 -1.634 18514 30 1 . 1 1 8 8 ARG HA H 15 4.346 4.346 4.686 -0.340 18514 31 1 . 1 1 8 8 ARG C C 15 175.808 175.808 175.957 -0.149 18514 32 1 . 1 1 8 8 ARG CA C 15 54.371 54.371 55.236 -0.865 18514 33 1 . 1 1 8 8 ARG CB C 15 30.731 30.731 30.201 0.530 18514 34 1 . 1 1 8 8 ARG H H 15 8.835 8.835 8.599 0.236 18514 35 1 . 1 1 9 9 CYS N N 16 122.323 122.323 118.081 4.242 18514 36 1 . 1 1 9 9 CYS HA H 16 4.024 4.024 4.516 -0.492 18514 37 1 . 1 1 9 9 CYS C C 16 174.360 174.360 176.229 -1.869 18514 38 1 . 1 1 9 9 CYS CA C 16 60.239 60.239 60.821 -0.583 18514 39 1 . 1 1 9 9 CYS CB C 16 32.451 32.451 26.012 6.439 18514 40 1 . 1 1 9 9 CYS H H 16 7.433 7.433 8.362 -0.929 18514 41 1 . 1 1 10 10 GLY N N 17 108.065 108.065 114.343 -6.278 18514 42 1 . 1 1 10 10 GLY C C 17 174.518 174.518 175.271 -0.753 18514 43 1 . 1 1 10 10 GLY CA C 17 45.560 45.560 45.985 -0.425 18514 44 1 . 1 1 10 10 GLY H H 17 8.788 8.788 8.843 -0.055 18514 45 1 . 1 1 11 11 ILE N N 18 118.990 118.990 121.533 -2.543 18514 46 1 . 1 1 11 11 ILE HA H 18 3.977 3.977 4.061 -0.084 18514 47 1 . 1 1 11 11 ILE C C 18 173.820 173.820 176.392 -2.572 18514 48 1 . 1 1 11 11 ILE CA C 18 63.590 63.590 63.137 0.453 18514 49 1 . 1 1 11 11 ILE CB C 18 38.724 38.724 38.513 0.211 18514 50 1 . 1 1 11 11 ILE H H 18 7.557 7.557 7.785 -0.228 18514 51 1 . 1 1 12 12 SER N N 19 116.128 116.128 114.519 1.609 18514 52 1 . 1 1 12 12 SER HA H 19 4.510 4.510 4.588 -0.078 18514 53 1 . 1 1 12 12 SER C C 19 172.948 172.948 174.273 -1.325 18514 54 1 . 1 1 12 12 SER CA C 19 58.200 58.200 58.165 0.035 18514 55 1 . 1 1 12 12 SER CB C 19 63.800 63.800 64.432 -0.632 18514 56 1 . 1 1 12 12 SER H H 19 8.418 8.418 7.943 0.475 18514 57 1 . 1 1 13 13 GLY N N 20 110.984 110.984 111.688 -0.704 18514 58 1 . 1 1 13 13 GLY C C 20 172.948 172.948 173.787 -0.839 18514 59 1 . 1 1 13 13 GLY CA C 20 45.398 45.398 45.193 0.205 18514 60 1 . 1 1 13 13 GLY H H 20 8.243 8.243 8.354 -0.111 18514 61 1 . 1 1 14 14 SER N N 21 114.951 114.951 116.773 -1.822 18514 62 1 . 1 1 14 14 SER HA H 21 4.535 4.535 4.517 0.018 18514 63 1 . 1 1 14 14 SER C C 21 175.376 175.376 174.512 0.864 18514 64 1 . 1 1 14 14 SER CA C 21 57.930 57.930 58.636 -0.706 18514 65 1 . 1 1 14 14 SER CB C 21 64.080 64.080 63.583 0.498 18514 66 1 . 1 1 14 14 SER H H 21 8.250 8.250 8.252 -0.002 18514 67 1 . 1 1 15 15 SER N N 22 118.334 118.334 118.539 -0.205 18514 68 1 . 1 1 15 15 SER HA H 22 4.449 4.449 4.442 0.007 18514 69 1 . 1 1 15 15 SER C C 22 174.863 174.863 173.898 0.964 18514 70 1 . 1 1 15 15 SER CA C 22 57.767 57.767 58.852 -1.085 18514 71 1 . 1 1 15 15 SER CB C 22 63.598 63.598 63.516 0.082 18514 72 1 . 1 1 15 15 SER H H 22 8.427 8.427 8.430 -0.003 18514 73 1 . 1 1 16 16 ASN N N 23 120.784 120.784 120.723 0.061 18514 74 1 . 1 1 16 16 ASN HA H 23 4.810 4.810 4.766 0.044 18514 75 1 . 1 1 16 16 ASN C C 23 175.364 175.364 175.081 0.283 18514 76 1 . 1 1 16 16 ASN CA C 23 53.174 53.174 53.353 -0.179 18514 77 1 . 1 1 16 16 ASN CB C 23 38.467 38.467 39.414 -0.947 18514 78 1 . 1 1 16 16 ASN H H 23 8.453 8.453 8.193 0.260 18514 79 1 . 1 1 17 17 THR N N 24 115.660 115.660 116.203 -0.543 18514 80 1 . 1 1 17 17 THR HA H 24 4.346 4.346 4.329 0.017 18514 81 1 . 1 1 17 17 THR C C 24 173.428 173.428 175.376 -1.948 18514 82 1 . 1 1 17 17 THR CA C 24 62.126 62.126 64.471 -2.345 18514 83 1 . 1 1 17 17 THR CB C 24 68.777 68.777 69.295 -0.518 18514 84 1 . 1 1 17 17 THR H H 24 8.417 8.417 8.467 -0.050 18514 85 1 . 1 1 18 18 LEU N N 25 121.190 121.190 118.770 2.420 18514 86 1 . 1 1 18 18 LEU HA H 25 4.294 4.294 4.508 -0.214 18514 87 1 . 1 1 18 18 LEU C C 25 173.951 173.951 176.990 -3.039 18514 88 1 . 1 1 18 18 LEU CA C 25 56.248 56.248 56.353 -0.105 18514 89 1 . 1 1 18 18 LEU CB C 25 42.307 42.307 42.274 0.033 18514 90 1 . 1 1 18 18 LEU H H 25 8.218 8.218 7.921 0.296 18514 91 1 . 1 1 19 19 THR N N 26 106.988 106.988 110.777 -3.789 18514 92 1 . 1 1 19 19 THR HA H 26 4.230 4.230 4.484 -0.254 18514 93 1 . 1 1 19 19 THR C C 26 171.429 171.429 175.266 -3.837 18514 94 1 . 1 1 19 19 THR CA C 26 60.631 60.631 61.515 -0.884 18514 95 1 . 1 1 19 19 THR CB C 26 68.296 68.296 68.985 -0.689 18514 96 1 . 1 1 19 19 THR H H 26 7.791 7.791 7.937 -0.146 18514 97 1 . 1 1 20 20 THR N N 27 121.441 121.441 118.717 2.724 18514 98 1 . 1 1 20 20 THR HA H 27 3.976 3.976 4.091 -0.115 18514 99 1 . 1 1 20 20 THR C C 27 175.121 175.121 175.893 -0.773 18514 100 1 . 1 1 20 20 THR CA C 27 68.900 68.900 65.874 3.026 18514 101 1 . 1 1 20 20 THR CB C 27 65.100 65.100 68.540 -3.440 18514 102 1 . 1 1 20 20 THR H H 27 7.370 7.370 8.111 -0.741 18514 103 1 . 1 1 21 21 CYS N N 28 121.174 121.174 116.754 4.420 18514 104 1 . 1 1 21 21 CYS HA H 28 4.010 4.010 4.540 -0.530 18514 105 1 . 1 1 21 21 CYS C C 28 174.930 174.930 175.373 -0.443 18514 106 1 . 1 1 21 21 CYS CA C 28 59.809 59.809 58.954 0.855 18514 107 1 . 1 1 21 21 CYS CB C 28 31.757 31.757 26.067 5.690 18514 108 1 . 1 1 21 21 CYS H H 28 9.321 9.321 8.403 0.918 18514 109 1 . 1 1 22 22 ARG N N 29 115.643 115.643 119.084 -3.441 18514 110 1 . 1 1 22 22 ARG HA H 29 3.223 3.223 3.984 -0.761 18514 111 1 . 1 1 22 22 ARG C C 29 177.619 177.619 174.481 3.138 18514 112 1 . 1 1 22 22 ARG CA C 29 52.830 52.830 56.104 -3.274 18514 113 1 . 1 1 22 22 ARG CB C 29 31.268 31.268 30.181 1.087 18514 114 1 . 1 1 22 22 ARG H H 29 7.880 7.880 7.849 0.031 18514 115 1 . 1 1 23 23 ASN N N 30 113.854 113.854 115.404 -1.550 18514 116 1 . 1 1 23 23 ASN HA H 30 4.586 4.586 4.579 0.007 18514 117 1 . 1 1 23 23 ASN C C 30 174.972 174.972 175.703 -0.731 18514 118 1 . 1 1 23 23 ASN CA C 30 51.476 51.476 51.617 -0.141 18514 119 1 . 1 1 23 23 ASN CB C 30 41.353 41.353 40.354 0.999 18514 120 1 . 1 1 23 23 ASN H H 30 6.816 6.816 7.303 -0.487 18514 121 1 . 1 1 24 24 SER N N 31 113.788 113.788 114.323 -0.535 18514 122 1 . 1 1 24 24 SER HA H 31 4.172 4.172 4.411 -0.239 18514 123 1 . 1 1 24 24 SER C C 31 174.820 174.820 174.923 -0.103 18514 124 1 . 1 1 24 24 SER CA C 31 61.080 61.080 60.737 0.343 18514 125 1 . 1 1 24 24 SER CB C 31 63.425 63.425 62.778 0.647 18514 126 1 . 1 1 24 24 SER H H 31 8.873 8.873 8.734 0.139 18514 127 1 . 1 1 25 25 ARG N N 32 119.696 119.696 118.651 1.045 18514 128 1 . 1 1 25 25 ARG HA H 32 4.207 4.207 4.418 -0.211 18514 129 1 . 1 1 25 25 ARG C C 32 175.482 175.482 176.156 -0.675 18514 130 1 . 1 1 25 25 ARG CA C 32 57.018 57.018 55.645 1.373 18514 131 1 . 1 1 25 25 ARG CB C 32 29.732 29.732 30.462 -0.730 18514 132 1 . 1 1 25 25 ARG H H 32 8.104 8.104 8.091 0.013 18514 133 1 . 1 1 26 26 CYS N N 33 123.061 123.061 122.608 0.453 18514 134 1 . 1 1 26 26 CYS HA H 33 4.687 4.687 4.975 -0.288 18514 135 1 . 1 1 26 26 CYS C C 33 173.064 173.064 173.831 -0.767 18514 136 1 . 1 1 26 26 CYS CA C 33 55.700 55.700 55.961 -0.261 18514 137 1 . 1 1 26 26 CYS CB C 33 31.954 31.954 28.399 3.555 18514 138 1 . 1 1 26 26 CYS H H 33 7.766 7.766 7.813 -0.047 18514 139 1 . 1 1 27 27 PRO HA H 34 4.292 4.292 4.314 -0.022 18514 140 1 . 1 1 27 27 PRO CA C 34 64.266 64.266 65.117 -0.851 18514 141 1 . 1 1 27 27 PRO CB C 34 32.158 32.158 31.510 0.648 18514 142 1 . 1 1 28 28 CYS N N 35 129.050 129.050 115.975 13.075 18514 143 1 . 1 1 28 28 CYS HA H 35 3.630 3.630 4.252 -0.622 18514 144 1 . 1 1 28 28 CYS C C 35 171.254 171.254 176.688 -5.434 18514 145 1 . 1 1 28 28 CYS CA C 35 62.585 62.585 62.983 -0.398 18514 146 1 . 1 1 28 28 CYS CB C 35 29.247 29.247 26.167 3.080 18514 147 1 . 1 1 28 28 CYS H H 35 8.368 8.368 7.947 0.421 18514 148 1 . 1 1 29 29 TYR N N 36 124.364 124.364 121.787 2.577 18514 149 1 . 1 1 29 29 TYR HA H 36 4.060 4.060 4.055 0.005 18514 150 1 . 1 1 29 29 TYR C C 36 172.650 172.650 177.851 -5.201 18514 151 1 . 1 1 29 29 TYR CA C 36 62.121 62.121 61.442 0.679 18514 152 1 . 1 1 29 29 TYR CB C 36 37.921 37.921 38.350 -0.429 18514 153 1 . 1 1 29 29 TYR H H 36 8.197 8.197 7.831 0.366 18514 154 1 . 1 1 30 30 LYS N N 37 117.214 117.214 118.183 -0.969 18514 155 1 . 1 1 30 30 LYS HA H 37 3.779 3.779 3.859 -0.080 18514 156 1 . 1 1 30 30 LYS C C 37 172.650 172.650 177.334 -4.684 18514 157 1 . 1 1 30 30 LYS CA C 37 58.396 58.396 58.144 0.252 18514 158 1 . 1 1 30 30 LYS CB C 37 32.632 32.632 32.279 0.353 18514 159 1 . 1 1 30 30 LYS H H 37 8.441 8.441 8.002 0.439 18514 160 1 . 1 1 31 31 SER N N 38 109.671 109.671 113.003 -3.332 18514 161 1 . 1 1 31 31 SER HA H 38 4.348 4.348 4.395 -0.047 18514 162 1 . 1 1 31 31 SER C C 38 173.566 173.566 173.624 -0.058 18514 163 1 . 1 1 31 31 SER CA C 38 56.469 56.469 58.190 -1.720 18514 164 1 . 1 1 31 31 SER CB C 38 63.461 63.461 63.658 -0.197 18514 165 1 . 1 1 31 31 SER H H 38 7.180 7.180 7.490 -0.310 18514 166 1 . 1 1 32 32 TYR N N 39 116.096 116.096 115.277 0.819 18514 167 1 . 1 1 32 32 TYR HA H 39 3.087 3.087 3.494 -0.407 18514 168 1 . 1 1 32 32 TYR C C 39 176.728 176.728 174.226 2.502 18514 169 1 . 1 1 32 32 TYR CA C 39 58.616 58.616 59.218 -0.602 18514 170 1 . 1 1 32 32 TYR CB C 39 34.550 34.550 34.938 -0.388 18514 171 1 . 1 1 32 32 TYR H H 39 7.410 7.410 7.238 0.172 18514 172 1 . 1 1 33 33 ASN N N 40 116.549 116.549 117.040 -0.491 18514 173 1 . 1 1 33 33 ASN HA H 40 5.003 5.003 4.982 0.021 18514 174 1 . 1 1 33 33 ASN C C 40 176.083 176.083 174.215 1.868 18514 175 1 . 1 1 33 33 ASN CA C 40 52.144 52.144 52.398 -0.254 18514 176 1 . 1 1 33 33 ASN CB C 40 43.554 43.554 41.519 2.035 18514 177 1 . 1 1 33 33 ASN H H 40 8.257 8.257 7.995 0.262 18514 178 1 . 1 1 34 34 SER N N 41 115.071 115.071 114.440 0.631 18514 179 1 . 1 1 34 34 SER HA H 41 4.477 4.477 4.862 -0.385 18514 180 1 . 1 1 34 34 SER C C 41 174.850 174.850 174.933 -0.083 18514 181 1 . 1 1 34 34 SER CA C 41 57.625 57.625 57.494 0.131 18514 182 1 . 1 1 34 34 SER CB C 41 65.000 65.000 65.007 -0.007 18514 183 1 . 1 1 34 34 SER H H 41 8.720 8.720 8.415 0.305 18514 184 1 . 1 1 35 35 CYS N N 42 115.950 115.950 121.402 -5.452 18514 185 1 . 1 1 35 35 CYS HA H 42 5.680 5.680 4.708 0.972 18514 186 1 . 1 1 35 35 CYS C C 42 174.850 174.850 174.957 -0.107 18514 187 1 . 1 1 35 35 CYS CA C 42 59.784 59.784 58.517 1.267 18514 188 1 . 1 1 35 35 CYS CB C 42 31.948 31.948 25.053 6.895 18514 189 1 . 1 1 35 35 CYS H H 42 8.696 8.696 8.989 -0.293 18514 190 1 . 1 1 36 36 ALA N N 43 124.417 124.417 125.729 -1.312 18514 191 1 . 1 1 36 36 ALA HA H 43 4.217 4.217 4.401 -0.184 18514 192 1 . 1 1 36 36 ALA C C 43 173.572 173.572 177.269 -3.697 18514 193 1 . 1 1 36 36 ALA CA C 43 54.329 54.329 52.051 2.278 18514 194 1 . 1 1 36 36 ALA CB C 43 17.835 17.835 18.785 -0.950 18514 195 1 . 1 1 36 36 ALA H H 43 8.002 8.002 7.895 0.107 18514 196 1 . 1 1 37 37 GLY N N 44 113.524 113.524 111.394 2.130 18514 197 1 . 1 1 37 37 GLY C C 44 170.263 170.263 174.297 -4.034 18514 198 1 . 1 1 37 37 GLY CA C 44 45.717 45.717 44.862 0.855 18514 199 1 . 1 1 37 37 GLY H H 44 8.932 8.932 8.561 0.371 18514 200 1 . 1 1 38 38 CYS N N 45 120.184 120.184 118.393 1.791 18514 201 1 . 1 1 38 38 CYS HA H 45 4.076 4.076 4.576 -0.500 18514 202 1 . 1 1 38 38 CYS C C 45 170.263 170.263 174.946 -4.683 18514 203 1 . 1 1 38 38 CYS CA C 45 61.886 61.886 58.401 3.485 18514 204 1 . 1 1 38 38 CYS CB C 45 33.622 33.622 29.010 4.612 18514 205 1 . 1 1 38 38 CYS H H 45 7.641 7.641 7.793 -0.152 18514 206 1 . 1 1 39 39 HIS N N 46 118.156 118.156 119.051 -0.895 18514 207 1 . 1 1 39 39 HIS HA H 46 5.050 5.050 4.750 0.300 18514 208 1 . 1 1 39 39 HIS C C 46 174.223 174.223 175.017 -0.794 18514 209 1 . 1 1 39 39 HIS CA C 46 54.489 54.489 55.677 -1.188 18514 210 1 . 1 1 39 39 HIS CB C 46 29.688 29.688 29.769 -0.081 18514 211 1 . 1 1 39 39 HIS H H 46 8.234 8.234 8.869 -0.635 18514 212 1 . 1 1 40 40 CYS N N 47 118.354 118.354 117.178 1.176 18514 213 1 . 1 1 40 40 CYS HA H 47 4.822 4.822 4.860 -0.038 18514 214 1 . 1 1 40 40 CYS C C 47 176.296 176.296 174.677 1.619 18514 215 1 . 1 1 40 40 CYS CA C 47 55.596 55.596 56.833 -1.237 18514 216 1 . 1 1 40 40 CYS CB C 47 33.238 33.238 27.745 5.493 18514 217 1 . 1 1 40 40 CYS H H 47 7.403 7.403 7.863 -0.460 18514 218 1 . 1 1 41 41 VAL N N 48 118.968 118.968 123.970 -5.002 18514 219 1 . 1 1 41 41 VAL HA H 48 4.231 4.231 4.243 -0.012 18514 220 1 . 1 1 41 41 VAL C C 48 174.265 174.265 176.248 -1.983 18514 221 1 . 1 1 41 41 VAL CA C 48 61.231 61.231 61.584 -0.353 18514 222 1 . 1 1 41 41 VAL CB C 48 34.698 34.698 33.172 1.526 18514 223 1 . 1 1 41 41 VAL H H 48 8.205 8.205 8.814 -0.609 18514 224 1 . 1 1 42 42 GLY N N 49 115.726 115.726 114.783 0.943 18514 225 1 . 1 1 42 42 GLY C C 49 174.223 174.223 173.972 0.251 18514 226 1 . 1 1 42 42 GLY CA C 49 46.113 46.113 45.156 0.957 18514 227 1 . 1 1 42 42 GLY H H 49 8.634 8.634 8.644 -0.010 18514 228 1 . 1 1 43 43 CYS N N 50 119.917 119.917 119.453 0.464 18514 229 1 . 1 1 43 43 CYS HA H 50 3.157 3.157 4.563 -1.406 18514 230 1 . 1 1 43 43 CYS C C 50 173.428 173.428 174.987 -1.559 18514 231 1 . 1 1 43 43 CYS CA C 50 63.346 63.346 57.694 5.652 18514 232 1 . 1 1 43 43 CYS CB C 50 33.126 33.126 27.068 6.058 18514 233 1 . 1 1 43 43 CYS H H 50 7.670 7.670 8.269 -0.599 18514 234 1 . 1 1 44 44 LYS N N 51 128.057 128.057 129.572 -1.515 18514 235 1 . 1 1 44 44 LYS HA H 51 4.598 4.598 4.403 0.195 18514 236 1 . 1 1 44 44 LYS C C 51 171.776 171.776 174.833 -3.057 18514 237 1 . 1 1 44 44 LYS CA C 51 54.036 54.036 54.819 -0.783 18514 238 1 . 1 1 44 44 LYS CB C 51 31.725 31.725 32.299 -0.574 18514 239 1 . 1 1 44 44 LYS H H 51 7.934 7.934 8.305 -0.371 18514 240 1 . 1 1 45 45 ASN N N 52 125.259 125.259 122.966 2.293 18514 241 1 . 1 1 45 45 ASN HA H 52 4.767 4.767 5.123 -0.356 18514 242 1 . 1 1 45 45 ASN C C 52 171.776 171.776 174.242 -2.466 18514 243 1 . 1 1 45 45 ASN CA C 52 52.250 52.250 49.921 2.329 18514 244 1 . 1 1 45 45 ASN CB C 52 39.520 39.520 40.001 -0.481 18514 245 1 . 1 1 45 45 ASN H H 52 9.076 9.076 8.241 0.835 18514 246 1 . 1 1 46 46 PRO HA H 53 4.463 4.463 4.337 0.126 18514 247 1 . 1 1 46 46 PRO CA C 53 63.131 63.131 63.985 -0.853 18514 248 1 . 1 1 46 46 PRO CB C 53 32.331 32.331 32.097 0.234 18514 249 1 . 1 1 47 47 HIS N N 54 121.186 121.186 119.091 2.095 18514 250 1 . 1 1 47 47 HIS HA H 54 4.514 4.514 4.657 -0.143 18514 251 1 . 1 1 47 47 HIS C C 54 172.204 172.204 174.328 -2.124 18514 252 1 . 1 1 47 47 HIS CA C 54 56.304 56.304 55.919 0.385 18514 253 1 . 1 1 47 47 HIS CB C 54 27.908 27.908 29.772 -1.864 18514 254 1 . 1 1 47 47 HIS H H 54 8.236 8.236 8.560 -0.324 18514 255 1 . 1 1 48 48 LYS N N 55 123.556 123.556 123.581 -0.025 18514 256 1 . 1 1 48 48 LYS HA H 55 4.461 4.461 4.493 -0.032 18514 257 1 . 1 1 48 48 LYS C C 55 175.066 175.066 175.984 -0.918 18514 258 1 . 1 1 48 48 LYS CA C 55 55.320 55.320 54.983 0.337 18514 259 1 . 1 1 48 48 LYS CB C 55 34.106 34.106 33.860 0.246 18514 260 1 . 1 1 48 48 LYS H H 55 8.470 8.470 8.153 0.317 18514 261 1 . 1 1 49 49 GLU N N 56 121.100 121.100 123.073 -1.973 18514 262 1 . 1 1 49 49 GLU HA H 56 4.351 4.351 4.268 0.083 18514 263 1 . 1 1 49 49 GLU C C 56 173.210 173.210 175.793 -2.583 18514 264 1 . 1 1 49 49 GLU CA C 56 56.363 56.363 56.592 -0.229 18514 265 1 . 1 1 49 49 GLU CB C 56 30.623 30.623 29.317 1.306 18514 266 1 . 1 1 49 49 GLU H H 56 8.523 8.523 8.540 -0.017 18514 267 1 . 1 1 50 50 ASP N N 57 121.579 121.579 124.332 -2.753 18514 268 1 . 1 1 50 50 ASP HA H 57 4.669 4.669 4.598 0.071 18514 269 1 . 1 1 50 50 ASP C C 57 173.845 173.845 175.266 -1.421 18514 270 1 . 1 1 50 50 ASP CA C 57 54.291 54.291 54.310 -0.019 18514 271 1 . 1 1 50 50 ASP CB C 57 41.452 41.452 41.485 -0.033 18514 272 1 . 1 1 50 50 ASP H H 57 8.396 8.396 8.389 0.007 18514 273 1 . 1 1 51 51 TYR N N 58 120.844 120.844 122.767 -1.923 18514 274 1 . 1 1 51 51 TYR HA H 58 4.517 4.517 4.681 -0.164 18514 275 1 . 1 1 51 51 TYR C C 58 173.968 173.968 174.843 -0.875 18514 276 1 . 1 1 51 51 TYR CA C 58 57.796 57.796 57.542 0.254 18514 277 1 . 1 1 51 51 TYR CB C 58 38.958 38.958 38.624 0.334 18514 278 1 . 1 1 51 51 TYR H H 58 8.176 8.176 8.176 0.001 18514 stop_ save_