data_18019 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18019 _Entry.PDB_ID 2LL1 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 18019 _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 CYS N N 2 117.089 117.089 116.383 0.706 18019 2 1 1 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.735 0.133 18019 3 1 1 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.986 -4.017 18019 4 1 1 . 1 1 2 2 CYS H H 2 8.734 8.734 8.329 0.405 18019 5 1 1 . 1 1 3 3 GLY N N 3 106.623 106.623 107.427 -0.804 18019 6 1 1 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.045 2.378 18019 7 1 1 . 1 1 3 3 GLY H H 3 9.036 9.036 8.186 0.850 18019 8 1 1 . 1 1 4 4 HIS N N 4 126.621 126.621 116.400 10.221 18019 9 1 1 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.498 -0.169 18019 10 1 1 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.795 -0.378 18019 11 1 1 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.025 -3.112 18019 12 1 1 . 1 1 4 4 HIS H H 4 9.430 9.430 7.573 1.857 18019 13 1 1 . 1 1 5 5 LEU N N 5 121.401 121.401 119.426 1.975 18019 14 1 1 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.123 -0.373 18019 15 1 1 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.703 0.844 18019 16 1 1 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.377 -0.922 18019 17 1 1 . 1 1 5 5 LEU H H 5 8.382 8.382 8.302 0.080 18019 18 1 1 . 1 1 6 6 HIS N N 6 116.370 116.370 113.051 3.319 18019 19 1 1 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.012 -1.060 18019 20 1 1 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.642 3.887 18019 21 1 1 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.308 -1.510 18019 22 1 1 . 1 1 6 6 HIS H H 6 9.611 9.611 8.141 1.470 18019 23 1 1 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.904 0.050 18019 24 1 1 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.107 1.239 18019 25 1 1 . 1 1 7 7 ASP H H 7 8.793 8.793 7.263 1.530 18019 26 1 1 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.475 0.455 18019 27 1 1 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.720 -0.338 18019 28 1 1 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.797 0.249 18019 29 1 1 . 1 1 9 9 CYS N N 9 116.579 116.579 115.036 1.543 18019 30 1 1 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.262 -0.056 18019 31 1 1 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.266 -1.716 18019 32 1 1 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.728 16.321 18019 33 1 1 . 1 1 9 9 CYS H H 9 8.235 8.235 8.323 -0.088 18019 34 1 1 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.327 0.071 18019 35 1 1 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.522 0.195 18019 36 1 1 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.098 -0.217 18019 37 1 1 . 1 1 11 11 ASN N N 11 116.436 116.436 117.616 -1.180 18019 38 1 1 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.744 0.190 18019 39 1 1 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.709 -0.326 18019 40 1 1 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.058 0.911 18019 41 1 1 . 1 1 11 11 ASN H H 11 8.901 8.901 8.241 0.660 18019 42 1 1 . 1 1 12 12 ASP N N 12 121.980 121.980 121.240 0.740 18019 43 1 1 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.488 0.522 18019 44 1 1 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.833 0.452 18019 45 1 1 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.216 3.749 18019 46 1 1 . 1 1 12 12 ASP H H 12 7.045 7.045 7.563 -0.518 18019 47 1 1 . 1 1 13 13 ARG N N 13 124.183 124.183 123.433 0.750 18019 48 1 1 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.877 -0.040 18019 49 1 1 . 1 1 13 13 ARG H H 13 8.214 8.214 7.856 0.358 18019 50 1 1 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.373 -0.166 18019 51 1 1 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.889 0.959 18019 52 1 1 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.315 0.713 18019 53 1 1 . 1 1 15 15 GLY N N 15 113.652 113.652 113.107 0.545 18019 54 1 1 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.910 0.326 18019 55 1 1 . 1 1 15 15 GLY H H 15 8.932 8.932 8.755 0.177 18019 56 1 1 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.702 -0.063 18019 57 1 1 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.325 -1.130 18019 58 1 1 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.676 -2.389 18019 59 1 1 . 1 1 16 16 HIS H H 16 8.764 8.764 7.829 0.935 18019 60 1 1 . 1 1 17 17 ARG N N 17 123.881 123.881 124.728 -0.847 18019 61 1 1 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.656 0.072 18019 62 1 1 . 1 1 17 17 ARG H H 17 8.632 8.632 8.119 0.513 18019 63 1 1 . 1 1 18 18 THR N N 18 114.176 114.176 111.030 3.146 18019 64 1 1 . 1 1 18 18 THR HA H 18 4.496 4.496 4.351 0.145 18019 65 1 1 . 1 1 18 18 THR CA C 18 62.491 62.491 61.994 0.497 18019 66 1 1 . 1 1 18 18 THR H H 18 9.527 9.527 8.421 1.106 18019 67 1 1 . 1 1 19 19 CYS N N 19 122.166 122.166 118.381 3.785 18019 68 1 1 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.718 0.001 18019 69 1 1 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.718 -3.224 18019 70 1 1 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.765 9.447 18019 71 1 1 . 1 1 19 19 CYS H H 19 8.132 8.132 7.558 0.574 18019 72 1 1 . 1 1 20 20 CYS N N 20 123.615 123.615 122.061 1.554 18019 73 1 1 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.494 -0.092 18019 74 1 1 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.275 -4.974 18019 75 1 1 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.605 10.073 18019 76 1 1 . 1 1 20 20 CYS H H 20 10.015 10.015 8.694 1.321 18019 77 1 1 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.019 -0.133 18019 78 1 1 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.151 -0.446 18019 79 1 1 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.616 -1.161 18019 80 1 1 . 1 1 21 21 ILE H H 21 8.097 8.097 8.625 -0.528 18019 81 1 1 . 1 1 22 22 GLY N N 22 114.980 114.980 114.871 0.109 18019 82 1 1 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.254 -0.832 18019 83 1 1 . 1 1 22 22 GLY H H 22 8.717 8.717 8.551 0.166 18019 84 1 1 . 1 1 23 23 LEU N N 23 120.903 120.903 118.376 2.527 18019 85 1 1 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.040 -0.063 18019 86 1 1 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.299 -0.045 18019 87 1 1 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.276 -2.069 18019 88 1 1 . 1 1 23 23 LEU H H 23 8.066 8.066 7.373 0.693 18019 89 1 1 . 1 1 24 24 GLN N N 24 118.630 118.630 117.968 0.662 18019 90 1 1 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.613 -0.081 18019 91 1 1 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.802 -1.056 18019 92 1 1 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.398 -0.955 18019 93 1 1 . 1 1 24 24 GLN H H 24 9.483 9.483 8.846 0.637 18019 94 1 1 . 1 1 25 25 CYS N N 25 125.114 125.114 125.251 -0.137 18019 95 1 1 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.296 -0.562 18019 96 1 1 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.238 14.159 18019 97 1 1 . 1 1 25 25 CYS H H 25 8.865 8.865 8.889 -0.024 18019 98 1 1 . 1 1 26 26 ARG N N 26 133.389 133.389 127.972 5.417 18019 99 1 1 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.482 -0.092 18019 100 1 1 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.568 0.427 18019 101 1 1 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.696 -1.183 18019 102 1 1 . 1 1 26 26 ARG H H 26 9.517 9.517 9.226 0.291 18019 103 1 1 . 1 1 27 27 TYR N N 27 122.855 122.855 119.029 3.826 18019 104 1 1 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.248 -0.093 18019 105 1 1 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.431 -0.511 18019 106 1 1 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.341 0.109 18019 107 1 1 . 1 1 27 27 TYR H H 27 8.949 8.949 8.499 0.450 18019 108 1 1 . 1 1 28 28 GLY N N 28 102.916 102.916 103.411 -0.495 18019 109 1 1 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.305 0.665 18019 110 1 1 . 1 1 28 28 GLY H H 28 8.327 8.327 8.738 -0.411 18019 111 1 1 . 1 1 29 29 LYS N N 29 122.470 122.470 118.193 4.277 18019 112 1 1 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.697 0.385 18019 113 1 1 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.869 -0.154 18019 114 1 1 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.938 0.106 18019 115 1 1 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019 116 1 1 . 1 1 30 30 CYS N N 30 119.755 119.755 119.531 0.224 18019 117 1 1 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.650 -0.805 18019 118 1 1 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.539 -3.047 18019 119 1 1 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.749 11.360 18019 120 1 1 . 1 1 30 30 CYS H H 30 8.812 8.812 8.265 0.547 18019 121 1 1 . 1 1 31 31 LEU N N 31 127.374 127.374 123.028 4.346 18019 122 1 1 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.990 -0.157 18019 123 1 1 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.480 1.512 18019 124 1 1 . 1 1 31 31 LEU H H 31 9.161 9.161 9.154 0.007 18019 125 1 1 . 1 1 32 32 VAL N N 32 119.330 119.330 120.004 -0.674 18019 126 1 1 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.980 -0.058 18019 127 1 1 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.103 2.519 18019 128 1 1 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.105 0.139 18019 129 1 1 . 1 1 32 32 VAL H H 32 8.105 8.105 8.283 -0.178 18019 130 1 2 . 1 1 2 2 CYS N N 2 117.089 117.089 116.754 0.335 18019 131 1 2 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.832 0.036 18019 132 1 2 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.860 -3.891 18019 133 1 2 . 1 1 2 2 CYS H H 2 8.734 8.734 8.413 0.321 18019 134 1 2 . 1 1 3 3 GLY N N 3 106.623 106.623 107.467 -0.844 18019 135 1 2 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.072 2.351 18019 136 1 2 . 1 1 3 3 GLY H H 3 9.036 9.036 8.215 0.821 18019 137 1 2 . 1 1 4 4 HIS N N 4 126.621 126.621 116.410 10.211 18019 138 1 2 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.507 -0.178 18019 139 1 2 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.806 -0.389 18019 140 1 2 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.018 -3.105 18019 141 1 2 . 1 1 4 4 HIS H H 4 9.430 9.430 7.574 1.856 18019 142 1 2 . 1 1 5 5 LEU N N 5 121.401 121.401 119.435 1.966 18019 143 1 2 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.131 -0.381 18019 144 1 2 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.712 0.835 18019 145 1 2 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.382 -0.927 18019 146 1 2 . 1 1 5 5 LEU H H 5 8.382 8.382 8.308 0.074 18019 147 1 2 . 1 1 6 6 HIS N N 6 116.370 116.370 112.957 3.413 18019 148 1 2 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.972 -1.020 18019 149 1 2 . 1 1 6 6 HIS CA C 6 58.529 58.529 55.011 3.518 18019 150 1 2 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.275 -1.477 18019 151 1 2 . 1 1 6 6 HIS H H 6 9.611 9.611 8.190 1.421 18019 152 1 2 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.936 0.018 18019 153 1 2 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.230 1.116 18019 154 1 2 . 1 1 7 7 ASP H H 7 8.793 8.793 7.306 1.487 18019 155 1 2 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.509 0.421 18019 156 1 2 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.736 -0.354 18019 157 1 2 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.622 0.424 18019 158 1 2 . 1 1 9 9 CYS N N 9 116.579 116.579 115.117 1.462 18019 159 1 2 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.267 -0.061 18019 160 1 2 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.454 -1.904 18019 161 1 2 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.039 16.010 18019 162 1 2 . 1 1 9 9 CYS H H 9 8.235 8.235 8.504 -0.269 18019 163 1 2 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.319 0.079 18019 164 1 2 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.463 0.254 18019 165 1 2 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.104 -0.223 18019 166 1 2 . 1 1 11 11 ASN N N 11 116.436 116.436 117.619 -1.183 18019 167 1 2 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.717 0.217 18019 168 1 2 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.693 -0.310 18019 169 1 2 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.204 0.765 18019 170 1 2 . 1 1 11 11 ASN H H 11 8.901 8.901 8.196 0.705 18019 171 1 2 . 1 1 12 12 ASP N N 12 121.980 121.980 121.373 0.607 18019 172 1 2 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.502 0.508 18019 173 1 2 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.721 0.564 18019 174 1 2 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.053 3.912 18019 175 1 2 . 1 1 12 12 ASP H H 12 7.045 7.045 7.565 -0.520 18019 176 1 2 . 1 1 13 13 ARG N N 13 124.183 124.183 123.484 0.699 18019 177 1 2 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.877 -0.040 18019 178 1 2 . 1 1 13 13 ARG H H 13 8.214 8.214 7.840 0.374 18019 179 1 2 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.362 -0.155 18019 180 1 2 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.962 0.886 18019 181 1 2 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.290 0.738 18019 182 1 2 . 1 1 15 15 GLY N N 15 113.652 113.652 112.957 0.695 18019 183 1 2 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.897 0.339 18019 184 1 2 . 1 1 15 15 GLY H H 15 8.932 8.932 8.644 0.288 18019 185 1 2 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.728 -0.089 18019 186 1 2 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.974 -0.779 18019 187 1 2 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.269 -2.982 18019 188 1 2 . 1 1 16 16 HIS H H 16 8.764 8.764 7.877 0.887 18019 189 1 2 . 1 1 17 17 ARG N N 17 123.881 123.881 124.110 -0.229 18019 190 1 2 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.680 0.048 18019 191 1 2 . 1 1 17 17 ARG H H 17 8.632 8.632 8.418 0.214 18019 192 1 2 . 1 1 18 18 THR N N 18 114.176 114.176 112.062 2.114 18019 193 1 2 . 1 1 18 18 THR HA H 18 4.496 4.496 4.428 0.068 18019 194 1 2 . 1 1 18 18 THR CA C 18 62.491 62.491 62.050 0.441 18019 195 1 2 . 1 1 18 18 THR H H 18 9.527 9.527 8.320 1.207 18019 196 1 2 . 1 1 19 19 CYS N N 19 122.166 122.166 118.489 3.677 18019 197 1 2 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.726 -0.007 18019 198 1 2 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.606 -3.112 18019 199 1 2 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.407 8.805 18019 200 1 2 . 1 1 19 19 CYS H H 19 8.132 8.132 7.642 0.490 18019 201 1 2 . 1 1 20 20 CYS N N 20 123.615 123.615 122.045 1.570 18019 202 1 2 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.532 -0.130 18019 203 1 2 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.277 -4.976 18019 204 1 2 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.650 10.029 18019 205 1 2 . 1 1 20 20 CYS H H 20 10.015 10.015 8.716 1.299 18019 206 1 2 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.032 -0.146 18019 207 1 2 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.174 -0.469 18019 208 1 2 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.626 -1.171 18019 209 1 2 . 1 1 21 21 ILE H H 21 8.097 8.097 8.644 -0.547 18019 210 1 2 . 1 1 22 22 GLY N N 22 114.980 114.980 114.882 0.098 18019 211 1 2 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.256 -0.834 18019 212 1 2 . 1 1 22 22 GLY H H 22 8.717 8.717 8.558 0.159 18019 213 1 2 . 1 1 23 23 LEU N N 23 120.903 120.903 118.158 2.745 18019 214 1 2 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.058 -0.081 18019 215 1 2 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.241 0.013 18019 216 1 2 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.231 -2.024 18019 217 1 2 . 1 1 23 23 LEU H H 23 8.066 8.066 7.420 0.646 18019 218 1 2 . 1 1 24 24 GLN N N 24 118.630 118.630 116.852 1.778 18019 219 1 2 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.595 -0.063 18019 220 1 2 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.688 -0.942 18019 221 1 2 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.183 -0.740 18019 222 1 2 . 1 1 24 24 GLN H H 24 9.483 9.483 8.698 0.785 18019 223 1 2 . 1 1 25 25 CYS N N 25 125.114 125.114 125.095 0.019 18019 224 1 2 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.241 -0.507 18019 225 1 2 . 1 1 25 25 CYS CB C 25 40.398 40.398 25.850 14.548 18019 226 1 2 . 1 1 25 25 CYS H H 25 8.865 8.865 8.855 0.010 18019 227 1 2 . 1 1 26 26 ARG N N 26 133.389 133.389 127.921 5.468 18019 228 1 2 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.476 -0.086 18019 229 1 2 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.069 0.926 18019 230 1 2 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.125 -0.612 18019 231 1 2 . 1 1 26 26 ARG H H 26 9.517 9.517 9.231 0.286 18019 232 1 2 . 1 1 27 27 TYR N N 27 122.855 122.855 118.981 3.874 18019 233 1 2 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.249 -0.094 18019 234 1 2 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.434 -0.514 18019 235 1 2 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.344 0.106 18019 236 1 2 . 1 1 27 27 TYR H H 27 8.949 8.949 8.499 0.450 18019 237 1 2 . 1 1 28 28 GLY N N 28 102.916 102.916 103.336 -0.420 18019 238 1 2 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.319 0.651 18019 239 1 2 . 1 1 28 28 GLY H H 28 8.327 8.327 8.737 -0.410 18019 240 1 2 . 1 1 29 29 LYS N N 29 122.470 122.470 118.181 4.289 18019 241 1 2 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019 242 1 2 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.895 -0.180 18019 243 1 2 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.947 0.098 18019 244 1 2 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019 245 1 2 . 1 1 30 30 CYS N N 30 119.755 119.755 119.579 0.176 18019 246 1 2 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.655 -0.810 18019 247 1 2 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.546 -3.054 18019 248 1 2 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.748 11.361 18019 249 1 2 . 1 1 30 30 CYS H H 30 8.812 8.812 8.268 0.544 18019 250 1 2 . 1 1 31 31 LEU N N 31 127.374 127.374 123.058 4.316 18019 251 1 2 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.995 -0.162 18019 252 1 2 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.483 1.509 18019 253 1 2 . 1 1 31 31 LEU H H 31 9.161 9.161 9.159 0.002 18019 254 1 2 . 1 1 32 32 VAL N N 32 119.330 119.330 120.006 -0.676 18019 255 1 2 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.982 -0.060 18019 256 1 2 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.108 2.514 18019 257 1 2 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.095 0.149 18019 258 1 2 . 1 1 32 32 VAL H H 32 8.105 8.105 8.284 -0.179 18019 259 1 3 . 1 1 2 2 CYS N N 2 117.089 117.089 116.059 1.030 18019 260 1 3 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.787 0.081 18019 261 1 3 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.931 -3.962 18019 262 1 3 . 1 1 2 2 CYS H H 2 8.734 8.734 8.409 0.325 18019 263 1 3 . 1 1 3 3 GLY N N 3 106.623 106.623 107.432 -0.809 18019 264 1 3 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.070 2.353 18019 265 1 3 . 1 1 3 3 GLY H H 3 9.036 9.036 8.225 0.811 18019 266 1 3 . 1 1 4 4 HIS N N 4 126.621 126.621 116.399 10.222 18019 267 1 3 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.509 -0.180 18019 268 1 3 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.804 -0.387 18019 269 1 3 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.017 -3.104 18019 270 1 3 . 1 1 4 4 HIS H H 4 9.430 9.430 7.569 1.861 18019 271 1 3 . 1 1 5 5 LEU N N 5 121.401 121.401 119.436 1.965 18019 272 1 3 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.131 -0.381 18019 273 1 3 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.709 0.838 18019 274 1 3 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.380 -0.924 18019 275 1 3 . 1 1 5 5 LEU H H 5 8.382 8.382 8.310 0.072 18019 276 1 3 . 1 1 6 6 HIS N N 6 116.370 116.370 113.234 3.136 18019 277 1 3 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.039 -1.087 18019 278 1 3 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.181 4.348 18019 279 1 3 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.607 -1.809 18019 280 1 3 . 1 1 6 6 HIS H H 6 9.611 9.611 8.059 1.552 18019 281 1 3 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.972 -0.018 18019 282 1 3 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.134 1.212 18019 283 1 3 . 1 1 7 7 ASP H H 7 8.793 8.793 7.457 1.336 18019 284 1 3 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.477 0.453 18019 285 1 3 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.719 -0.337 18019 286 1 3 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.784 0.262 18019 287 1 3 . 1 1 9 9 CYS N N 9 116.579 116.579 115.178 1.401 18019 288 1 3 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.264 -0.058 18019 289 1 3 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.252 -1.702 18019 290 1 3 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.722 16.327 18019 291 1 3 . 1 1 9 9 CYS H H 9 8.235 8.235 8.323 -0.088 18019 292 1 3 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.319 0.079 18019 293 1 3 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.475 0.242 18019 294 1 3 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.107 -0.226 18019 295 1 3 . 1 1 11 11 ASN N N 11 116.436 116.436 117.645 -1.209 18019 296 1 3 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.730 0.204 18019 297 1 3 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.733 -0.350 18019 298 1 3 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.179 0.790 18019 299 1 3 . 1 1 11 11 ASN H H 11 8.901 8.901 8.219 0.682 18019 300 1 3 . 1 1 12 12 ASP N N 12 121.980 121.980 121.235 0.745 18019 301 1 3 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.486 0.524 18019 302 1 3 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.849 0.437 18019 303 1 3 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.220 3.745 18019 304 1 3 . 1 1 12 12 ASP H H 12 7.045 7.045 7.571 -0.526 18019 305 1 3 . 1 1 13 13 ARG N N 13 124.183 124.183 123.465 0.718 18019 306 1 3 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.878 -0.041 18019 307 1 3 . 1 1 13 13 ARG H H 13 8.214 8.214 7.861 0.353 18019 308 1 3 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.353 -0.146 18019 309 1 3 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.860 0.988 18019 310 1 3 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.307 0.721 18019 311 1 3 . 1 1 15 15 GLY N N 15 113.652 113.652 112.943 0.709 18019 312 1 3 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.897 0.339 18019 313 1 3 . 1 1 15 15 GLY H H 15 8.932 8.932 8.642 0.290 18019 314 1 3 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.724 -0.085 18019 315 1 3 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.953 -0.758 18019 316 1 3 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.198 -2.911 18019 317 1 3 . 1 1 16 16 HIS H H 16 8.764 8.764 7.877 0.887 18019 318 1 3 . 1 1 17 17 ARG N N 17 123.881 123.881 124.104 -0.223 18019 319 1 3 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.695 0.033 18019 320 1 3 . 1 1 17 17 ARG H H 17 8.632 8.632 8.278 0.354 18019 321 1 3 . 1 1 18 18 THR N N 18 114.176 114.176 111.425 2.751 18019 322 1 3 . 1 1 18 18 THR HA H 18 4.496 4.496 4.425 0.071 18019 323 1 3 . 1 1 18 18 THR CA C 18 62.491 62.491 61.632 0.859 18019 324 1 3 . 1 1 18 18 THR H H 18 9.527 9.527 8.470 1.057 18019 325 1 3 . 1 1 19 19 CYS N N 19 122.166 122.166 118.466 3.700 18019 326 1 3 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.750 -0.031 18019 327 1 3 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.495 -3.001 18019 328 1 3 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.917 9.295 18019 329 1 3 . 1 1 19 19 CYS H H 19 8.132 8.132 7.614 0.518 18019 330 1 3 . 1 1 20 20 CYS N N 20 123.615 123.615 122.047 1.568 18019 331 1 3 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.533 -0.131 18019 332 1 3 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.360 -5.059 18019 333 1 3 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.686 9.993 18019 334 1 3 . 1 1 20 20 CYS H H 20 10.015 10.015 8.721 1.294 18019 335 1 3 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.025 -0.139 18019 336 1 3 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.290 -0.585 18019 337 1 3 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.642 -1.187 18019 338 1 3 . 1 1 21 21 ILE H H 21 8.097 8.097 8.636 -0.539 18019 339 1 3 . 1 1 22 22 GLY N N 22 114.980 114.980 114.948 0.032 18019 340 1 3 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.230 -0.808 18019 341 1 3 . 1 1 22 22 GLY H H 22 8.717 8.717 8.554 0.163 18019 342 1 3 . 1 1 23 23 LEU N N 23 120.903 120.903 118.457 2.446 18019 343 1 3 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.039 -0.062 18019 344 1 3 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.316 -0.062 18019 345 1 3 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.186 -1.979 18019 346 1 3 . 1 1 23 23 LEU H H 23 8.066 8.066 7.375 0.691 18019 347 1 3 . 1 1 24 24 GLN N N 24 118.630 118.630 117.650 0.980 18019 348 1 3 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.637 -0.105 18019 349 1 3 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.842 -1.096 18019 350 1 3 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.288 -0.845 18019 351 1 3 . 1 1 24 24 GLN H H 24 9.483 9.483 8.805 0.678 18019 352 1 3 . 1 1 25 25 CYS N N 25 125.114 125.114 125.248 -0.134 18019 353 1 3 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.298 -0.564 18019 354 1 3 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.255 14.143 18019 355 1 3 . 1 1 25 25 CYS H H 25 8.865 8.865 8.896 -0.031 18019 356 1 3 . 1 1 26 26 ARG N N 26 133.389 133.389 127.972 5.417 18019 357 1 3 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.486 -0.096 18019 358 1 3 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.591 0.404 18019 359 1 3 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.679 -1.166 18019 360 1 3 . 1 1 26 26 ARG H H 26 9.517 9.517 9.224 0.293 18019 361 1 3 . 1 1 27 27 TYR N N 27 122.855 122.855 118.866 3.989 18019 362 1 3 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.212 -0.057 18019 363 1 3 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.338 -0.418 18019 364 1 3 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.083 0.367 18019 365 1 3 . 1 1 27 27 TYR H H 27 8.949 8.949 8.788 0.161 18019 366 1 3 . 1 1 28 28 GLY N N 28 102.916 102.916 102.978 -0.062 18019 367 1 3 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.303 0.667 18019 368 1 3 . 1 1 28 28 GLY H H 28 8.327 8.327 8.694 -0.367 18019 369 1 3 . 1 1 29 29 LYS N N 29 122.470 122.470 118.186 4.284 18019 370 1 3 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019 371 1 3 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.893 -0.178 18019 372 1 3 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.949 0.096 18019 373 1 3 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019 374 1 3 . 1 1 30 30 CYS N N 30 119.755 119.755 119.621 0.134 18019 375 1 3 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.654 -0.809 18019 376 1 3 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.551 -3.059 18019 377 1 3 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.724 11.385 18019 378 1 3 . 1 1 30 30 CYS H H 30 8.812 8.812 8.269 0.543 18019 379 1 3 . 1 1 31 31 LEU N N 31 127.374 127.374 123.119 4.255 18019 380 1 3 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.995 -0.162 18019 381 1 3 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.487 1.505 18019 382 1 3 . 1 1 31 31 LEU H H 31 9.161 9.161 9.165 -0.004 18019 383 1 3 . 1 1 32 32 VAL N N 32 119.330 119.330 119.968 -0.638 18019 384 1 3 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.995 -0.073 18019 385 1 3 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.093 2.529 18019 386 1 3 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.361 -0.117 18019 387 1 3 . 1 1 32 32 VAL H H 32 8.105 8.105 8.315 -0.210 18019 388 1 4 . 1 1 2 2 CYS N N 2 117.089 117.089 116.053 1.036 18019 389 1 4 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.792 0.076 18019 390 1 4 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.709 -3.740 18019 391 1 4 . 1 1 2 2 CYS H H 2 8.734 8.734 7.808 0.926 18019 392 1 4 . 1 1 3 3 GLY N N 3 106.623 106.623 107.453 -0.830 18019 393 1 4 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.079 2.344 18019 394 1 4 . 1 1 3 3 GLY H H 3 9.036 9.036 8.219 0.817 18019 395 1 4 . 1 1 4 4 HIS N N 4 126.621 126.621 116.412 10.209 18019 396 1 4 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.506 -0.177 18019 397 1 4 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.805 -0.388 18019 398 1 4 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.020 -3.107 18019 399 1 4 . 1 1 4 4 HIS H H 4 9.430 9.430 7.578 1.852 18019 400 1 4 . 1 1 5 5 LEU N N 5 121.401 121.401 119.438 1.963 18019 401 1 4 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.130 -0.380 18019 402 1 4 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.712 0.835 18019 403 1 4 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.380 -0.925 18019 404 1 4 . 1 1 5 5 LEU H H 5 8.382 8.382 8.309 0.073 18019 405 1 4 . 1 1 6 6 HIS N N 6 116.370 116.370 112.835 3.535 18019 406 1 4 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.047 -1.095 18019 407 1 4 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.384 4.145 18019 408 1 4 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.434 -1.636 18019 409 1 4 . 1 1 6 6 HIS H H 6 9.611 9.611 8.165 1.446 18019 410 1 4 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.940 0.014 18019 411 1 4 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.066 1.280 18019 412 1 4 . 1 1 7 7 ASP H H 7 8.793 8.793 7.282 1.511 18019 413 1 4 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.508 0.422 18019 414 1 4 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.740 -0.358 18019 415 1 4 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.621 0.425 18019 416 1 4 . 1 1 9 9 CYS N N 9 116.579 116.579 115.117 1.462 18019 417 1 4 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.268 -0.062 18019 418 1 4 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.452 -1.902 18019 419 1 4 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.042 16.007 18019 420 1 4 . 1 1 9 9 CYS H H 9 8.235 8.235 8.504 -0.269 18019 421 1 4 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.313 0.085 18019 422 1 4 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.430 0.287 18019 423 1 4 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.116 -0.235 18019 424 1 4 . 1 1 11 11 ASN N N 11 116.436 116.436 118.240 -1.804 18019 425 1 4 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.749 0.185 18019 426 1 4 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.615 -0.232 18019 427 1 4 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.217 0.752 18019 428 1 4 . 1 1 11 11 ASN H H 11 8.901 8.901 8.231 0.670 18019 429 1 4 . 1 1 12 12 ASP N N 12 121.980 121.980 121.117 0.863 18019 430 1 4 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.519 0.491 18019 431 1 4 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.760 0.525 18019 432 1 4 . 1 1 12 12 ASP CB C 12 44.965 44.965 40.995 3.970 18019 433 1 4 . 1 1 12 12 ASP H H 12 7.045 7.045 7.573 -0.528 18019 434 1 4 . 1 1 13 13 ARG N N 13 124.183 124.183 123.464 0.719 18019 435 1 4 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.877 -0.040 18019 436 1 4 . 1 1 13 13 ARG H H 13 8.214 8.214 7.840 0.374 18019 437 1 4 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.359 -0.152 18019 438 1 4 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.959 0.889 18019 439 1 4 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.283 0.745 18019 440 1 4 . 1 1 15 15 GLY N N 15 113.652 113.652 112.980 0.672 18019 441 1 4 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.892 0.344 18019 442 1 4 . 1 1 15 15 GLY H H 15 8.932 8.932 8.646 0.286 18019 443 1 4 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.727 -0.088 18019 444 1 4 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.923 -0.728 18019 445 1 4 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.188 -2.901 18019 446 1 4 . 1 1 16 16 HIS H H 16 8.764 8.764 7.872 0.892 18019 447 1 4 . 1 1 17 17 ARG N N 17 123.881 123.881 123.486 0.395 18019 448 1 4 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.688 0.040 18019 449 1 4 . 1 1 17 17 ARG H H 17 8.632 8.632 8.395 0.237 18019 450 1 4 . 1 1 18 18 THR N N 18 114.176 114.176 110.800 3.376 18019 451 1 4 . 1 1 18 18 THR HA H 18 4.496 4.496 4.395 0.101 18019 452 1 4 . 1 1 18 18 THR CA C 18 62.491 62.491 62.048 0.443 18019 453 1 4 . 1 1 18 18 THR H H 18 9.527 9.527 8.332 1.195 18019 454 1 4 . 1 1 19 19 CYS N N 19 122.166 122.166 118.475 3.691 18019 455 1 4 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.738 -0.019 18019 456 1 4 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.713 -3.219 18019 457 1 4 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.823 9.389 18019 458 1 4 . 1 1 19 19 CYS H H 19 8.132 8.132 7.604 0.528 18019 459 1 4 . 1 1 20 20 CYS N N 20 123.615 123.615 122.021 1.594 18019 460 1 4 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.530 -0.128 18019 461 1 4 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.334 -5.033 18019 462 1 4 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.645 10.034 18019 463 1 4 . 1 1 20 20 CYS H H 20 10.015 10.015 8.717 1.298 18019 464 1 4 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.034 -0.148 18019 465 1 4 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.213 -0.508 18019 466 1 4 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.645 -1.190 18019 467 1 4 . 1 1 21 21 ILE H H 21 8.097 8.097 8.640 -0.543 18019 468 1 4 . 1 1 22 22 GLY N N 22 114.980 114.980 114.901 0.079 18019 469 1 4 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.259 -0.837 18019 470 1 4 . 1 1 22 22 GLY H H 22 8.717 8.717 8.558 0.159 18019 471 1 4 . 1 1 23 23 LEU N N 23 120.903 120.903 118.417 2.486 18019 472 1 4 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.050 -0.073 18019 473 1 4 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.301 -0.047 18019 474 1 4 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.234 -2.027 18019 475 1 4 . 1 1 23 23 LEU H H 23 8.066 8.066 7.379 0.687 18019 476 1 4 . 1 1 24 24 GLN N N 24 118.630 118.630 117.471 1.159 18019 477 1 4 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.618 -0.086 18019 478 1 4 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.810 -1.064 18019 479 1 4 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.306 -0.863 18019 480 1 4 . 1 1 24 24 GLN H H 24 9.483 9.483 8.742 0.741 18019 481 1 4 . 1 1 25 25 CYS N N 25 125.114 125.114 125.182 -0.068 18019 482 1 4 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.297 -0.563 18019 483 1 4 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.118 14.280 18019 484 1 4 . 1 1 25 25 CYS H H 25 8.865 8.865 8.878 -0.013 18019 485 1 4 . 1 1 26 26 ARG N N 26 133.389 133.389 128.040 5.349 18019 486 1 4 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.464 -0.074 18019 487 1 4 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.433 0.562 18019 488 1 4 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.836 -1.323 18019 489 1 4 . 1 1 26 26 ARG H H 26 9.517 9.517 9.249 0.268 18019 490 1 4 . 1 1 27 27 TYR N N 27 122.855 122.855 119.030 3.825 18019 491 1 4 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.248 -0.093 18019 492 1 4 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.431 -0.511 18019 493 1 4 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.341 0.109 18019 494 1 4 . 1 1 27 27 TYR H H 27 8.949 8.949 8.500 0.449 18019 495 1 4 . 1 1 28 28 GLY N N 28 102.916 102.916 103.412 -0.496 18019 496 1 4 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.306 0.664 18019 497 1 4 . 1 1 28 28 GLY H H 28 8.327 8.327 8.739 -0.412 18019 498 1 4 . 1 1 29 29 LYS N N 29 122.470 122.470 118.195 4.275 18019 499 1 4 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.700 0.382 18019 500 1 4 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.867 -0.152 18019 501 1 4 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.942 0.103 18019 502 1 4 . 1 1 29 29 LYS H H 29 7.926 7.926 7.622 0.304 18019 503 1 4 . 1 1 30 30 CYS N N 30 119.755 119.755 119.541 0.214 18019 504 1 4 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.654 -0.809 18019 505 1 4 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.544 -3.053 18019 506 1 4 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.756 11.354 18019 507 1 4 . 1 1 30 30 CYS H H 30 8.812 8.812 8.270 0.542 18019 508 1 4 . 1 1 31 31 LEU N N 31 127.374 127.374 123.202 4.172 18019 509 1 4 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.984 -0.151 18019 510 1 4 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.308 1.684 18019 511 1 4 . 1 1 31 31 LEU H H 31 9.161 9.161 9.160 0.001 18019 512 1 4 . 1 1 32 32 VAL N N 32 119.330 119.330 119.991 -0.661 18019 513 1 4 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.089 -0.167 18019 514 1 4 . 1 1 32 32 VAL CA C 32 64.622 64.622 60.901 3.721 18019 515 1 4 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.728 0.516 18019 516 1 4 . 1 1 32 32 VAL H H 32 8.105 8.105 8.226 -0.121 18019 517 1 5 . 1 1 2 2 CYS N N 2 117.089 117.089 115.121 1.968 18019 518 1 5 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.890 -0.022 18019 519 1 5 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.293 -3.324 18019 520 1 5 . 1 1 2 2 CYS H H 2 8.734 8.734 7.754 0.980 18019 521 1 5 . 1 1 3 3 GLY N N 3 106.623 106.623 107.420 -0.797 18019 522 1 5 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.048 2.375 18019 523 1 5 . 1 1 3 3 GLY H H 3 9.036 9.036 8.182 0.854 18019 524 1 5 . 1 1 4 4 HIS N N 4 126.621 126.621 116.390 10.231 18019 525 1 5 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.500 -0.171 18019 526 1 5 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.789 -0.372 18019 527 1 5 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.010 -3.097 18019 528 1 5 . 1 1 4 4 HIS H H 4 9.430 9.430 7.567 1.863 18019 529 1 5 . 1 1 5 5 LEU N N 5 121.401 121.401 119.426 1.975 18019 530 1 5 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019 531 1 5 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.701 0.846 18019 532 1 5 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.374 -0.919 18019 533 1 5 . 1 1 5 5 LEU H H 5 8.382 8.382 8.303 0.079 18019 534 1 5 . 1 1 6 6 HIS N N 6 116.370 116.370 113.214 3.156 18019 535 1 5 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.035 -1.083 18019 536 1 5 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.167 4.362 18019 537 1 5 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.608 -1.810 18019 538 1 5 . 1 1 6 6 HIS H H 6 9.611 9.611 8.053 1.558 18019 539 1 5 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.963 -0.009 18019 540 1 5 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.126 1.220 18019 541 1 5 . 1 1 7 7 ASP H H 7 8.793 8.793 7.448 1.345 18019 542 1 5 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.469 0.461 18019 543 1 5 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.710 -0.328 18019 544 1 5 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.767 0.279 18019 545 1 5 . 1 1 9 9 CYS N N 9 116.579 116.579 115.254 1.325 18019 546 1 5 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.244 -0.038 18019 547 1 5 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.220 -1.670 18019 548 1 5 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.698 16.351 18019 549 1 5 . 1 1 9 9 CYS H H 9 8.235 8.235 8.314 -0.079 18019 550 1 5 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.325 0.073 18019 551 1 5 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.556 0.161 18019 552 1 5 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.086 -0.204 18019 553 1 5 . 1 1 11 11 ASN N N 11 116.436 116.436 118.068 -1.632 18019 554 1 5 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.773 0.161 18019 555 1 5 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.443 -0.060 18019 556 1 5 . 1 1 11 11 ASN CB C 11 38.969 38.969 37.784 1.185 18019 557 1 5 . 1 1 11 11 ASN H H 11 8.901 8.901 8.274 0.627 18019 558 1 5 . 1 1 12 12 ASP N N 12 121.980 121.980 120.846 1.134 18019 559 1 5 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.468 0.542 18019 560 1 5 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.842 0.443 18019 561 1 5 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.179 3.786 18019 562 1 5 . 1 1 12 12 ASP H H 12 7.045 7.045 7.522 -0.477 18019 563 1 5 . 1 1 13 13 ARG N N 13 124.183 124.183 123.405 0.778 18019 564 1 5 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.872 -0.035 18019 565 1 5 . 1 1 13 13 ARG H H 13 8.214 8.214 7.830 0.384 18019 566 1 5 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.373 -0.166 18019 567 1 5 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.876 0.972 18019 568 1 5 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.315 0.713 18019 569 1 5 . 1 1 15 15 GLY N N 15 113.652 113.652 113.159 0.493 18019 570 1 5 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.968 0.268 18019 571 1 5 . 1 1 15 15 GLY H H 15 8.932 8.932 8.758 0.174 18019 572 1 5 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.754 -0.115 18019 573 1 5 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.983 -0.788 18019 574 1 5 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.618 -2.331 18019 575 1 5 . 1 1 16 16 HIS H H 16 8.764 8.764 7.855 0.909 18019 576 1 5 . 1 1 17 17 ARG N N 17 123.881 123.881 125.167 -1.286 18019 577 1 5 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.618 0.110 18019 578 1 5 . 1 1 17 17 ARG H H 17 8.632 8.632 8.193 0.439 18019 579 1 5 . 1 1 18 18 THR N N 18 114.176 114.176 111.377 2.799 18019 580 1 5 . 1 1 18 18 THR HA H 18 4.496 4.496 4.302 0.194 18019 581 1 5 . 1 1 18 18 THR CA C 18 62.491 62.491 61.523 0.968 18019 582 1 5 . 1 1 18 18 THR H H 18 9.527 9.527 8.389 1.138 18019 583 1 5 . 1 1 19 19 CYS N N 19 122.166 122.166 118.401 3.765 18019 584 1 5 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.723 -0.004 18019 585 1 5 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.471 -2.977 18019 586 1 5 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.884 9.329 18019 587 1 5 . 1 1 19 19 CYS H H 19 8.132 8.132 7.550 0.582 18019 588 1 5 . 1 1 20 20 CYS N N 20 123.615 123.615 122.062 1.553 18019 589 1 5 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.512 -0.110 18019 590 1 5 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.313 -5.012 18019 591 1 5 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.658 10.021 18019 592 1 5 . 1 1 20 20 CYS H H 20 10.015 10.015 8.701 1.314 18019 593 1 5 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.023 -0.137 18019 594 1 5 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.246 -0.541 18019 595 1 5 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.636 -1.181 18019 596 1 5 . 1 1 21 21 ILE H H 21 8.097 8.097 8.632 -0.535 18019 597 1 5 . 1 1 22 22 GLY N N 22 114.980 114.980 114.898 0.082 18019 598 1 5 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.240 -0.818 18019 599 1 5 . 1 1 22 22 GLY H H 22 8.717 8.717 8.555 0.162 18019 600 1 5 . 1 1 23 23 LEU N N 23 120.903 120.903 118.413 2.490 18019 601 1 5 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.038 -0.061 18019 602 1 5 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.289 -0.035 18019 603 1 5 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.196 -1.989 18019 604 1 5 . 1 1 23 23 LEU H H 23 8.066 8.066 7.367 0.699 18019 605 1 5 . 1 1 24 24 GLN N N 24 118.630 118.630 117.576 1.054 18019 606 1 5 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.631 -0.099 18019 607 1 5 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.823 -1.077 18019 608 1 5 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.277 -0.834 18019 609 1 5 . 1 1 24 24 GLN H H 24 9.483 9.483 8.789 0.694 18019 610 1 5 . 1 1 25 25 CYS N N 25 125.114 125.114 125.254 -0.140 18019 611 1 5 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.282 -0.548 18019 612 1 5 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.255 14.143 18019 613 1 5 . 1 1 25 25 CYS H H 25 8.865 8.865 8.890 -0.025 18019 614 1 5 . 1 1 26 26 ARG N N 26 133.389 133.389 127.969 5.420 18019 615 1 5 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.483 -0.093 18019 616 1 5 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.605 0.390 18019 617 1 5 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.672 -1.159 18019 618 1 5 . 1 1 26 26 ARG H H 26 9.517 9.517 9.216 0.301 18019 619 1 5 . 1 1 27 27 TYR N N 27 122.855 122.855 119.019 3.836 18019 620 1 5 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.246 -0.091 18019 621 1 5 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.432 -0.512 18019 622 1 5 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.343 0.107 18019 623 1 5 . 1 1 27 27 TYR H H 27 8.949 8.949 8.497 0.452 18019 624 1 5 . 1 1 28 28 GLY N N 28 102.916 102.916 103.353 -0.437 18019 625 1 5 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.312 0.658 18019 626 1 5 . 1 1 28 28 GLY H H 28 8.327 8.327 8.733 -0.406 18019 627 1 5 . 1 1 29 29 LYS N N 29 122.470 122.470 118.186 4.284 18019 628 1 5 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.693 0.389 18019 629 1 5 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.873 -0.158 18019 630 1 5 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.944 0.101 18019 631 1 5 . 1 1 29 29 LYS H H 29 7.926 7.926 7.613 0.313 18019 632 1 5 . 1 1 30 30 CYS N N 30 119.755 119.755 119.645 0.110 18019 633 1 5 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.638 -0.793 18019 634 1 5 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.567 -3.075 18019 635 1 5 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.686 11.423 18019 636 1 5 . 1 1 30 30 CYS H H 30 8.812 8.812 8.261 0.551 18019 637 1 5 . 1 1 31 31 LEU N N 31 127.374 127.374 123.149 4.225 18019 638 1 5 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.991 -0.158 18019 639 1 5 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.483 1.509 18019 640 1 5 . 1 1 31 31 LEU H H 31 9.161 9.161 9.158 0.003 18019 641 1 5 . 1 1 32 32 VAL N N 32 119.330 119.330 119.958 -0.628 18019 642 1 5 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.966 -0.044 18019 643 1 5 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.143 2.479 18019 644 1 5 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.051 0.193 18019 645 1 5 . 1 1 32 32 VAL H H 32 8.105 8.105 8.278 -0.173 18019 646 1 6 . 1 1 2 2 CYS N N 2 117.089 117.089 116.083 1.006 18019 647 1 6 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.719 0.149 18019 648 1 6 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.820 -3.851 18019 649 1 6 . 1 1 2 2 CYS H H 2 8.734 8.734 7.803 0.931 18019 650 1 6 . 1 1 3 3 GLY N N 3 106.623 106.623 107.419 -0.796 18019 651 1 6 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.041 2.382 18019 652 1 6 . 1 1 3 3 GLY H H 3 9.036 9.036 8.179 0.857 18019 653 1 6 . 1 1 4 4 HIS N N 4 126.621 126.621 116.392 10.229 18019 654 1 6 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.499 -0.170 18019 655 1 6 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.792 -0.375 18019 656 1 6 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.018 -3.105 18019 657 1 6 . 1 1 4 4 HIS H H 4 9.430 9.430 7.568 1.862 18019 658 1 6 . 1 1 5 5 LEU N N 5 121.401 121.401 119.428 1.973 18019 659 1 6 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019 660 1 6 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.702 0.845 18019 661 1 6 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.374 -0.919 18019 662 1 6 . 1 1 5 5 LEU H H 5 8.382 8.382 8.303 0.079 18019 663 1 6 . 1 1 6 6 HIS N N 6 116.370 116.370 113.218 3.152 18019 664 1 6 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.036 -1.084 18019 665 1 6 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.171 4.358 18019 666 1 6 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.608 -1.810 18019 667 1 6 . 1 1 6 6 HIS H H 6 9.611 9.611 8.054 1.557 18019 668 1 6 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.967 -0.013 18019 669 1 6 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.128 1.218 18019 670 1 6 . 1 1 7 7 ASP H H 7 8.793 8.793 7.450 1.343 18019 671 1 6 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.474 0.456 18019 672 1 6 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.717 -0.334 18019 673 1 6 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.773 0.273 18019 674 1 6 . 1 1 9 9 CYS N N 9 116.579 116.579 115.258 1.321 18019 675 1 6 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.261 -0.055 18019 676 1 6 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.230 -1.680 18019 677 1 6 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.711 16.338 18019 678 1 6 . 1 1 9 9 CYS H H 9 8.235 8.235 8.321 -0.086 18019 679 1 6 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.316 0.082 18019 680 1 6 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.450 0.267 18019 681 1 6 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.114 -0.233 18019 682 1 6 . 1 1 11 11 ASN N N 11 116.436 116.436 117.603 -1.167 18019 683 1 6 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.723 0.211 18019 684 1 6 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.670 -0.287 18019 685 1 6 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.281 0.688 18019 686 1 6 . 1 1 11 11 ASN H H 11 8.901 8.901 8.189 0.712 18019 687 1 6 . 1 1 12 12 ASP N N 12 121.980 121.980 121.401 0.579 18019 688 1 6 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.497 0.513 18019 689 1 6 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.689 0.596 18019 690 1 6 . 1 1 12 12 ASP CB C 12 44.965 44.965 40.981 3.984 18019 691 1 6 . 1 1 12 12 ASP H H 12 7.045 7.045 7.569 -0.524 18019 692 1 6 . 1 1 13 13 ARG N N 13 124.183 124.183 123.438 0.745 18019 693 1 6 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.873 -0.036 18019 694 1 6 . 1 1 13 13 ARG H H 13 8.214 8.214 7.821 0.393 18019 695 1 6 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.385 -0.178 18019 696 1 6 . 1 1 14 14 PRO CA C 14 64.848 64.848 64.013 0.835 18019 697 1 6 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.305 0.723 18019 698 1 6 . 1 1 15 15 GLY N N 15 113.652 113.652 113.123 0.529 18019 699 1 6 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.923 0.313 18019 700 1 6 . 1 1 15 15 GLY H H 15 8.932 8.932 8.757 0.175 18019 701 1 6 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.714 -0.075 18019 702 1 6 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.293 -1.098 18019 703 1 6 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.616 -2.329 18019 704 1 6 . 1 1 16 16 HIS H H 16 8.764 8.764 7.838 0.926 18019 705 1 6 . 1 1 17 17 ARG N N 17 123.881 123.881 124.694 -0.813 18019 706 1 6 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.624 0.104 18019 707 1 6 . 1 1 17 17 ARG H H 17 8.632 8.632 8.284 0.348 18019 708 1 6 . 1 1 18 18 THR N N 18 114.176 114.176 111.128 3.048 18019 709 1 6 . 1 1 18 18 THR HA H 18 4.496 4.496 4.350 0.146 18019 710 1 6 . 1 1 18 18 THR CA C 18 62.491 62.491 61.603 0.888 18019 711 1 6 . 1 1 18 18 THR H H 18 9.527 9.527 8.306 1.221 18019 712 1 6 . 1 1 19 19 CYS N N 19 122.166 122.166 118.478 3.688 18019 713 1 6 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.721 -0.002 18019 714 1 6 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.395 -2.901 18019 715 1 6 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.948 9.264 18019 716 1 6 . 1 1 19 19 CYS H H 19 8.132 8.132 7.529 0.603 18019 717 1 6 . 1 1 20 20 CYS N N 20 123.615 123.615 122.057 1.558 18019 718 1 6 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.499 -0.097 18019 719 1 6 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.304 -5.003 18019 720 1 6 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.660 10.019 18019 721 1 6 . 1 1 20 20 CYS H H 20 10.015 10.015 8.696 1.319 18019 722 1 6 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.011 -0.125 18019 723 1 6 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.243 -0.538 18019 724 1 6 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.619 -1.164 18019 725 1 6 . 1 1 21 21 ILE H H 21 8.097 8.097 8.621 -0.524 18019 726 1 6 . 1 1 22 22 GLY N N 22 114.980 114.980 114.915 0.065 18019 727 1 6 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.223 -0.801 18019 728 1 6 . 1 1 22 22 GLY H H 22 8.717 8.717 8.547 0.170 18019 729 1 6 . 1 1 23 23 LEU N N 23 120.903 120.903 118.364 2.539 18019 730 1 6 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.040 -0.063 18019 731 1 6 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.257 -0.003 18019 732 1 6 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.196 -1.989 18019 733 1 6 . 1 1 23 23 LEU H H 23 8.066 8.066 7.371 0.695 18019 734 1 6 . 1 1 24 24 GLN N N 24 118.630 118.630 117.810 0.820 18019 735 1 6 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.617 -0.085 18019 736 1 6 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.864 -1.118 18019 737 1 6 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.418 -0.975 18019 738 1 6 . 1 1 24 24 GLN H H 24 9.483 9.483 8.723 0.760 18019 739 1 6 . 1 1 25 25 CYS N N 25 125.114 125.114 125.160 -0.046 18019 740 1 6 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.278 -0.544 18019 741 1 6 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.079 14.319 18019 742 1 6 . 1 1 25 25 CYS H H 25 8.865 8.865 8.860 0.005 18019 743 1 6 . 1 1 26 26 ARG N N 26 133.389 133.389 128.078 5.311 18019 744 1 6 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.453 -0.063 18019 745 1 6 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.392 0.603 18019 746 1 6 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.872 -1.359 18019 747 1 6 . 1 1 26 26 ARG H H 26 9.517 9.517 9.249 0.268 18019 748 1 6 . 1 1 27 27 TYR N N 27 122.855 122.855 119.029 3.826 18019 749 1 6 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.195 -0.040 18019 750 1 6 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.176 -0.256 18019 751 1 6 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.422 0.028 18019 752 1 6 . 1 1 27 27 TYR H H 27 8.949 8.949 8.828 0.121 18019 753 1 6 . 1 1 28 28 GLY N N 28 102.916 102.916 103.496 -0.580 18019 754 1 6 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.465 0.506 18019 755 1 6 . 1 1 28 28 GLY H H 28 8.327 8.327 8.787 -0.460 18019 756 1 6 . 1 1 29 29 LYS N N 29 122.470 122.470 118.176 4.294 18019 757 1 6 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.697 0.385 18019 758 1 6 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.879 -0.164 18019 759 1 6 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.949 0.096 18019 760 1 6 . 1 1 29 29 LYS H H 29 7.926 7.926 7.616 0.310 18019 761 1 6 . 1 1 30 30 CYS N N 30 119.755 119.755 119.649 0.106 18019 762 1 6 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.638 -0.793 18019 763 1 6 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.570 -3.078 18019 764 1 6 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.690 11.419 18019 765 1 6 . 1 1 30 30 CYS H H 30 8.812 8.812 8.263 0.549 18019 766 1 6 . 1 1 31 31 LEU N N 31 127.374 127.374 123.140 4.234 18019 767 1 6 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.991 -0.158 18019 768 1 6 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.485 1.507 18019 769 1 6 . 1 1 31 31 LEU H H 31 9.161 9.161 9.158 0.003 18019 770 1 6 . 1 1 32 32 VAL N N 32 119.330 119.330 120.100 -0.770 18019 771 1 6 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.984 -0.062 18019 772 1 6 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.114 2.508 18019 773 1 6 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.165 0.079 18019 774 1 6 . 1 1 32 32 VAL H H 32 8.105 8.105 8.290 -0.185 18019 775 1 7 . 1 1 2 2 CYS N N 2 117.089 117.089 117.026 0.063 18019 776 1 7 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.807 0.061 18019 777 1 7 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.544 -3.575 18019 778 1 7 . 1 1 2 2 CYS H H 2 8.734 8.734 7.974 0.760 18019 779 1 7 . 1 1 3 3 GLY N N 3 106.623 106.623 107.423 -0.800 18019 780 1 7 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.041 2.382 18019 781 1 7 . 1 1 3 3 GLY H H 3 9.036 9.036 8.183 0.853 18019 782 1 7 . 1 1 4 4 HIS N N 4 126.621 126.621 116.396 10.225 18019 783 1 7 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.498 -0.169 18019 784 1 7 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.797 -0.380 18019 785 1 7 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.007 -3.094 18019 786 1 7 . 1 1 4 4 HIS H H 4 9.430 9.430 7.568 1.862 18019 787 1 7 . 1 1 5 5 LEU N N 5 121.401 121.401 119.426 1.975 18019 788 1 7 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019 789 1 7 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.702 0.845 18019 790 1 7 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.373 -0.918 18019 791 1 7 . 1 1 5 5 LEU H H 5 8.382 8.382 8.302 0.080 18019 792 1 7 . 1 1 6 6 HIS N N 6 116.370 116.370 113.223 3.147 18019 793 1 7 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.035 -1.083 18019 794 1 7 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.175 4.354 18019 795 1 7 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.606 -1.808 18019 796 1 7 . 1 1 6 6 HIS H H 6 9.611 9.611 8.054 1.557 18019 797 1 7 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.966 -0.012 18019 798 1 7 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.132 1.214 18019 799 1 7 . 1 1 7 7 ASP H H 7 8.793 8.793 7.450 1.343 18019 800 1 7 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.504 0.426 18019 801 1 7 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.740 -0.358 18019 802 1 7 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.575 0.471 18019 803 1 7 . 1 1 9 9 CYS N N 9 116.579 116.579 115.472 1.107 18019 804 1 7 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.269 -0.063 18019 805 1 7 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.433 -1.883 18019 806 1 7 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.994 16.055 18019 807 1 7 . 1 1 9 9 CYS H H 9 8.235 8.235 8.522 -0.287 18019 808 1 7 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.327 0.071 18019 809 1 7 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.533 0.184 18019 810 1 7 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.099 -0.218 18019 811 1 7 . 1 1 11 11 ASN N N 11 116.436 116.436 118.141 -1.705 18019 812 1 7 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.782 0.152 18019 813 1 7 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.588 -0.205 18019 814 1 7 . 1 1 11 11 ASN CB C 11 38.969 38.969 37.945 1.024 18019 815 1 7 . 1 1 11 11 ASN H H 11 8.901 8.901 8.296 0.605 18019 816 1 7 . 1 1 12 12 ASP N N 12 121.980 121.980 120.954 1.026 18019 817 1 7 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.496 0.514 18019 818 1 7 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.870 0.415 18019 819 1 7 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.170 3.795 18019 820 1 7 . 1 1 12 12 ASP H H 12 7.045 7.045 7.555 -0.510 18019 821 1 7 . 1 1 13 13 ARG N N 13 124.183 124.183 123.451 0.732 18019 822 1 7 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.877 -0.040 18019 823 1 7 . 1 1 13 13 ARG H H 13 8.214 8.214 7.852 0.362 18019 824 1 7 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.373 -0.166 18019 825 1 7 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.874 0.974 18019 826 1 7 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.311 0.717 18019 827 1 7 . 1 1 15 15 GLY N N 15 113.652 113.652 113.160 0.492 18019 828 1 7 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.920 0.316 18019 829 1 7 . 1 1 15 15 GLY H H 15 8.932 8.932 8.767 0.165 18019 830 1 7 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.712 -0.073 18019 831 1 7 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.289 -1.094 18019 832 1 7 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.598 -2.311 18019 833 1 7 . 1 1 16 16 HIS H H 16 8.764 8.764 7.838 0.926 18019 834 1 7 . 1 1 17 17 ARG N N 17 123.881 123.881 125.453 -1.572 18019 835 1 7 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.638 0.090 18019 836 1 7 . 1 1 17 17 ARG H H 17 8.632 8.632 8.167 0.465 18019 837 1 7 . 1 1 18 18 THR N N 18 114.176 114.176 111.877 2.299 18019 838 1 7 . 1 1 18 18 THR HA H 18 4.496 4.496 4.337 0.159 18019 839 1 7 . 1 1 18 18 THR CA C 18 62.491 62.491 61.736 0.755 18019 840 1 7 . 1 1 18 18 THR H H 18 9.527 9.527 8.447 1.080 18019 841 1 7 . 1 1 19 19 CYS N N 19 122.166 122.166 118.403 3.763 18019 842 1 7 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.702 0.017 18019 843 1 7 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.619 -3.125 18019 844 1 7 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.297 8.915 18019 845 1 7 . 1 1 19 19 CYS H H 19 8.132 8.132 7.586 0.546 18019 846 1 7 . 1 1 20 20 CYS N N 20 123.615 123.615 122.027 1.588 18019 847 1 7 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.497 -0.095 18019 848 1 7 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.358 -5.057 18019 849 1 7 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.657 10.022 18019 850 1 7 . 1 1 20 20 CYS H H 20 10.015 10.015 8.696 1.319 18019 851 1 7 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.012 -0.126 18019 852 1 7 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.288 -0.583 18019 853 1 7 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.641 -1.186 18019 854 1 7 . 1 1 21 21 ILE H H 21 8.097 8.097 8.615 -0.518 18019 855 1 7 . 1 1 22 22 GLY N N 22 114.980 114.980 114.895 0.085 18019 856 1 7 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.240 -0.818 18019 857 1 7 . 1 1 22 22 GLY H H 22 8.717 8.717 8.543 0.174 18019 858 1 7 . 1 1 23 23 LEU N N 23 120.903 120.903 118.315 2.588 18019 859 1 7 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.044 -0.067 18019 860 1 7 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.253 0.001 18019 861 1 7 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.257 -2.050 18019 862 1 7 . 1 1 23 23 LEU H H 23 8.066 8.066 7.374 0.692 18019 863 1 7 . 1 1 24 24 GLN N N 24 118.630 118.630 117.719 0.911 18019 864 1 7 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.646 -0.114 18019 865 1 7 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.893 -1.147 18019 866 1 7 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.263 -0.820 18019 867 1 7 . 1 1 24 24 GLN H H 24 9.483 9.483 8.838 0.644 18019 868 1 7 . 1 1 25 25 CYS N N 25 125.114 125.114 125.258 -0.144 18019 869 1 7 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.286 -0.552 18019 870 1 7 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.247 14.151 18019 871 1 7 . 1 1 25 25 CYS H H 25 8.865 8.865 8.889 -0.024 18019 872 1 7 . 1 1 26 26 ARG N N 26 133.389 133.389 127.975 5.414 18019 873 1 7 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.485 -0.095 18019 874 1 7 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.594 0.401 18019 875 1 7 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.679 -1.166 18019 876 1 7 . 1 1 26 26 ARG H H 26 9.517 9.517 9.219 0.298 18019 877 1 7 . 1 1 27 27 TYR N N 27 122.855 122.855 118.881 3.974 18019 878 1 7 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.206 -0.051 18019 879 1 7 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.318 -0.398 18019 880 1 7 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.096 0.354 18019 881 1 7 . 1 1 27 27 TYR H H 27 8.949 8.949 8.799 0.150 18019 882 1 7 . 1 1 28 28 GLY N N 28 102.916 102.916 103.025 -0.109 18019 883 1 7 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.307 0.663 18019 884 1 7 . 1 1 28 28 GLY H H 28 8.327 8.327 8.693 -0.366 18019 885 1 7 . 1 1 29 29 LYS N N 29 122.470 122.470 118.190 4.280 18019 886 1 7 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.697 0.386 18019 887 1 7 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.889 -0.174 18019 888 1 7 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.947 0.098 18019 889 1 7 . 1 1 29 29 LYS H H 29 7.926 7.926 7.616 0.310 18019 890 1 7 . 1 1 30 30 CYS N N 30 119.755 119.755 119.639 0.116 18019 891 1 7 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.642 -0.797 18019 892 1 7 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.561 -3.069 18019 893 1 7 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.698 11.411 18019 894 1 7 . 1 1 30 30 CYS H H 30 8.812 8.812 8.263 0.549 18019 895 1 7 . 1 1 31 31 LEU N N 31 127.374 127.374 123.296 4.078 18019 896 1 7 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.982 -0.149 18019 897 1 7 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.302 1.690 18019 898 1 7 . 1 1 31 31 LEU H H 31 9.161 9.161 9.160 0.001 18019 899 1 7 . 1 1 32 32 VAL N N 32 119.330 119.330 119.888 -0.558 18019 900 1 7 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.049 -0.127 18019 901 1 7 . 1 1 32 32 VAL CA C 32 64.622 64.622 60.995 3.627 18019 902 1 7 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.673 0.571 18019 903 1 7 . 1 1 32 32 VAL H H 32 8.105 8.105 8.211 -0.106 18019 904 1 8 . 1 1 2 2 CYS N N 2 117.089 117.089 116.365 0.724 18019 905 1 8 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.766 0.102 18019 906 1 8 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.737 -3.768 18019 907 1 8 . 1 1 2 2 CYS H H 2 8.734 8.734 8.450 0.284 18019 908 1 8 . 1 1 3 3 GLY N N 3 106.623 106.623 107.436 -0.813 18019 909 1 8 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.028 2.396 18019 910 1 8 . 1 1 3 3 GLY H H 3 9.036 9.036 8.157 0.879 18019 911 1 8 . 1 1 4 4 HIS N N 4 126.621 126.621 116.400 10.221 18019 912 1 8 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.496 -0.167 18019 913 1 8 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.794 -0.376 18019 914 1 8 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.009 -3.096 18019 915 1 8 . 1 1 4 4 HIS H H 4 9.430 9.430 7.562 1.868 18019 916 1 8 . 1 1 5 5 LEU N N 5 121.401 121.401 119.427 1.974 18019 917 1 8 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.121 -0.371 18019 918 1 8 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.703 0.844 18019 919 1 8 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.373 -0.918 18019 920 1 8 . 1 1 5 5 LEU H H 5 8.382 8.382 8.301 0.081 18019 921 1 8 . 1 1 6 6 HIS N N 6 116.370 116.370 113.225 3.145 18019 922 1 8 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.029 -1.077 18019 923 1 8 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.186 4.343 18019 924 1 8 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.601 -1.803 18019 925 1 8 . 1 1 6 6 HIS H H 6 9.611 9.611 8.055 1.556 18019 926 1 8 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.965 -0.011 18019 927 1 8 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.127 1.219 18019 928 1 8 . 1 1 7 7 ASP H H 7 8.793 8.793 7.449 1.344 18019 929 1 8 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.503 0.427 18019 930 1 8 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.711 -0.329 18019 931 1 8 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.642 0.404 18019 932 1 8 . 1 1 9 9 CYS N N 9 116.579 116.579 115.026 1.553 18019 933 1 8 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.223 -0.017 18019 934 1 8 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.379 -1.829 18019 935 1 8 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.035 16.014 18019 936 1 8 . 1 1 9 9 CYS H H 9 8.235 8.235 8.429 -0.194 18019 937 1 8 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.319 0.079 18019 938 1 8 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.486 0.231 18019 939 1 8 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.104 -0.223 18019 940 1 8 . 1 1 11 11 ASN N N 11 116.436 116.436 117.359 -0.923 18019 941 1 8 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.723 0.211 18019 942 1 8 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.675 -0.292 18019 943 1 8 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.095 0.874 18019 944 1 8 . 1 1 11 11 ASN H H 11 8.901 8.901 8.210 0.691 18019 945 1 8 . 1 1 12 12 ASP N N 12 121.980 121.980 121.344 0.636 18019 946 1 8 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.466 0.544 18019 947 1 8 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.718 0.567 18019 948 1 8 . 1 1 12 12 ASP CB C 12 44.965 44.965 40.967 3.998 18019 949 1 8 . 1 1 12 12 ASP H H 12 7.045 7.045 7.584 -0.539 18019 950 1 8 . 1 1 13 13 ARG N N 13 124.183 124.183 123.565 0.618 18019 951 1 8 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.854 -0.017 18019 952 1 8 . 1 1 13 13 ARG H H 13 8.214 8.214 7.780 0.434 18019 953 1 8 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.371 -0.164 18019 954 1 8 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.849 0.999 18019 955 1 8 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.339 0.689 18019 956 1 8 . 1 1 15 15 GLY N N 15 113.652 113.652 113.107 0.545 18019 957 1 8 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.943 0.293 18019 958 1 8 . 1 1 15 15 GLY H H 15 8.932 8.932 8.750 0.182 18019 959 1 8 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.729 -0.090 18019 960 1 8 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.184 -0.989 18019 961 1 8 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.564 -2.277 18019 962 1 8 . 1 1 16 16 HIS H H 16 8.764 8.764 7.845 0.919 18019 963 1 8 . 1 1 17 17 ARG N N 17 123.881 123.881 125.297 -1.416 18019 964 1 8 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.630 0.098 18019 965 1 8 . 1 1 17 17 ARG H H 17 8.632 8.632 8.148 0.484 18019 966 1 8 . 1 1 18 18 THR N N 18 114.176 114.176 111.333 2.843 18019 967 1 8 . 1 1 18 18 THR HA H 18 4.496 4.496 4.311 0.185 18019 968 1 8 . 1 1 18 18 THR CA C 18 62.491 62.491 61.539 0.952 18019 969 1 8 . 1 1 18 18 THR H H 18 9.527 9.527 8.405 1.122 18019 970 1 8 . 1 1 19 19 CYS N N 19 122.166 122.166 118.396 3.770 18019 971 1 8 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.723 -0.004 18019 972 1 8 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.439 -2.945 18019 973 1 8 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.910 9.302 18019 974 1 8 . 1 1 19 19 CYS H H 19 8.132 8.132 7.523 0.609 18019 975 1 8 . 1 1 20 20 CYS N N 20 123.615 123.615 122.019 1.596 18019 976 1 8 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.498 -0.096 18019 977 1 8 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.330 -5.029 18019 978 1 8 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.618 10.061 18019 979 1 8 . 1 1 20 20 CYS H H 20 10.015 10.015 8.693 1.322 18019 980 1 8 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.024 -0.138 18019 981 1 8 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.211 -0.506 18019 982 1 8 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.646 -1.191 18019 983 1 8 . 1 1 21 21 ILE H H 21 8.097 8.097 8.623 -0.526 18019 984 1 8 . 1 1 22 22 GLY N N 22 114.980 114.980 114.867 0.113 18019 985 1 8 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.261 -0.839 18019 986 1 8 . 1 1 22 22 GLY H H 22 8.717 8.717 8.551 0.166 18019 987 1 8 . 1 1 23 23 LEU N N 23 120.903 120.903 118.238 2.665 18019 988 1 8 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.059 -0.082 18019 989 1 8 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.211 0.043 18019 990 1 8 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.270 -2.063 18019 991 1 8 . 1 1 23 23 LEU H H 23 8.066 8.066 7.403 0.663 18019 992 1 8 . 1 1 24 24 GLN N N 24 118.630 118.630 117.774 0.856 18019 993 1 8 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.634 -0.102 18019 994 1 8 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.916 -1.170 18019 995 1 8 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.244 -0.801 18019 996 1 8 . 1 1 24 24 GLN H H 24 9.483 9.483 8.884 0.599 18019 997 1 8 . 1 1 25 25 CYS N N 25 125.114 125.114 125.249 -0.135 18019 998 1 8 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.286 -0.552 18019 999 1 8 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.316 14.082 18019 1000 1 8 . 1 1 25 25 CYS H H 25 8.865 8.865 8.887 -0.022 18019 1001 1 8 . 1 1 26 26 ARG N N 26 133.389 133.389 127.387 6.002 18019 1002 1 8 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.417 -0.027 18019 1003 1 8 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.288 0.707 18019 1004 1 8 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.339 -0.826 18019 1005 1 8 . 1 1 26 26 ARG H H 26 9.517 9.517 9.223 0.294 18019 1006 1 8 . 1 1 27 27 TYR N N 27 122.855 122.855 118.926 3.929 18019 1007 1 8 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.209 -0.054 18019 1008 1 8 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.352 -0.433 18019 1009 1 8 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.060 0.390 18019 1010 1 8 . 1 1 27 27 TYR H H 27 8.949 8.949 8.791 0.158 18019 1011 1 8 . 1 1 28 28 GLY N N 28 102.916 102.916 102.947 -0.031 18019 1012 1 8 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.274 0.696 18019 1013 1 8 . 1 1 28 28 GLY H H 28 8.327 8.327 8.685 -0.358 18019 1014 1 8 . 1 1 29 29 LYS N N 29 122.470 122.470 118.187 4.283 18019 1015 1 8 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.695 0.387 18019 1016 1 8 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.891 -0.176 18019 1017 1 8 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.945 0.100 18019 1018 1 8 . 1 1 29 29 LYS H H 29 7.926 7.926 7.615 0.311 18019 1019 1 8 . 1 1 30 30 CYS N N 30 119.755 119.755 119.606 0.149 18019 1020 1 8 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.642 -0.797 18019 1021 1 8 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.552 -3.060 18019 1022 1 8 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.722 11.387 18019 1023 1 8 . 1 1 30 30 CYS H H 30 8.812 8.812 8.260 0.552 18019 1024 1 8 . 1 1 31 31 LEU N N 31 127.374 127.374 123.508 3.866 18019 1025 1 8 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.011 -0.178 18019 1026 1 8 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.516 1.476 18019 1027 1 8 . 1 1 31 31 LEU H H 31 9.161 9.161 9.130 0.031 18019 1028 1 8 . 1 1 32 32 VAL N N 32 119.330 119.330 119.548 -0.218 18019 1029 1 8 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.010 -0.088 18019 1030 1 8 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.951 2.671 18019 1031 1 8 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.321 -0.077 18019 1032 1 8 . 1 1 32 32 VAL H H 32 8.105 8.105 8.236 -0.131 18019 1033 1 9 . 1 1 2 2 CYS N N 2 117.089 117.089 116.198 0.891 18019 1034 1 9 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.767 0.101 18019 1035 1 9 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.912 -3.943 18019 1036 1 9 . 1 1 2 2 CYS H H 2 8.734 8.734 7.841 0.893 18019 1037 1 9 . 1 1 3 3 GLY N N 3 106.623 106.623 107.462 -0.839 18019 1038 1 9 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.086 2.337 18019 1039 1 9 . 1 1 3 3 GLY H H 3 9.036 9.036 8.216 0.820 18019 1040 1 9 . 1 1 4 4 HIS N N 4 126.621 126.621 116.397 10.224 18019 1041 1 9 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.509 -0.180 18019 1042 1 9 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.801 -0.384 18019 1043 1 9 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.021 -3.108 18019 1044 1 9 . 1 1 4 4 HIS H H 4 9.430 9.430 7.579 1.851 18019 1045 1 9 . 1 1 5 5 LEU N N 5 121.401 121.401 119.434 1.967 18019 1046 1 9 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.130 -0.380 18019 1047 1 9 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.708 0.839 18019 1048 1 9 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.379 -0.924 18019 1049 1 9 . 1 1 5 5 LEU H H 5 8.382 8.382 8.311 0.071 18019 1050 1 9 . 1 1 6 6 HIS N N 6 116.370 116.370 113.212 3.158 18019 1051 1 9 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.040 -1.088 18019 1052 1 9 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.173 4.356 18019 1053 1 9 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.615 -1.817 18019 1054 1 9 . 1 1 6 6 HIS H H 6 9.611 9.611 8.058 1.553 18019 1055 1 9 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.971 -0.017 18019 1056 1 9 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.137 1.209 18019 1057 1 9 . 1 1 7 7 ASP H H 7 8.793 8.793 7.458 1.335 18019 1058 1 9 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.510 0.420 18019 1059 1 9 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.738 -0.356 18019 1060 1 9 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.610 0.436 18019 1061 1 9 . 1 1 9 9 CYS N N 9 116.579 116.579 115.308 1.271 18019 1062 1 9 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.268 -0.062 18019 1063 1 9 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.406 -1.856 18019 1064 1 9 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.038 16.011 18019 1065 1 9 . 1 1 9 9 CYS H H 9 8.235 8.235 8.491 -0.256 18019 1066 1 9 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.320 0.078 18019 1067 1 9 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.479 0.238 18019 1068 1 9 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.105 -0.224 18019 1069 1 9 . 1 1 11 11 ASN N N 11 116.436 116.436 117.649 -1.213 18019 1070 1 9 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.731 0.203 18019 1071 1 9 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.732 -0.349 18019 1072 1 9 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.161 0.808 18019 1073 1 9 . 1 1 11 11 ASN H H 11 8.901 8.901 8.221 0.680 18019 1074 1 9 . 1 1 12 12 ASP N N 12 121.980 121.980 121.235 0.745 18019 1075 1 9 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.487 0.523 18019 1076 1 9 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.845 0.440 18019 1077 1 9 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.225 3.740 18019 1078 1 9 . 1 1 12 12 ASP H H 12 7.045 7.045 7.569 -0.524 18019 1079 1 9 . 1 1 13 13 ARG N N 13 124.183 124.183 123.468 0.715 18019 1080 1 9 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.878 -0.041 18019 1081 1 9 . 1 1 13 13 ARG H H 13 8.214 8.214 7.862 0.352 18019 1082 1 9 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.354 -0.147 18019 1083 1 9 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.859 0.989 18019 1084 1 9 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.303 0.725 18019 1085 1 9 . 1 1 15 15 GLY N N 15 113.652 113.652 112.948 0.704 18019 1086 1 9 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.899 0.337 18019 1087 1 9 . 1 1 15 15 GLY H H 15 8.932 8.932 8.646 0.286 18019 1088 1 9 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.723 -0.084 18019 1089 1 9 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.969 -0.775 18019 1090 1 9 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.184 -2.897 18019 1091 1 9 . 1 1 16 16 HIS H H 16 8.764 8.764 7.880 0.884 18019 1092 1 9 . 1 1 17 17 ARG N N 17 123.881 123.881 123.709 0.172 18019 1093 1 9 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.696 0.032 18019 1094 1 9 . 1 1 17 17 ARG H H 17 8.632 8.632 8.219 0.413 18019 1095 1 9 . 1 1 18 18 THR N N 18 114.176 114.176 110.879 3.297 18019 1096 1 9 . 1 1 18 18 THR HA H 18 4.496 4.496 4.407 0.089 18019 1097 1 9 . 1 1 18 18 THR CA C 18 62.491 62.491 62.040 0.451 18019 1098 1 9 . 1 1 18 18 THR H H 18 9.527 9.527 8.450 1.077 18019 1099 1 9 . 1 1 19 19 CYS N N 19 122.166 122.166 118.408 3.758 18019 1100 1 9 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.743 -0.024 18019 1101 1 9 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.722 -3.228 18019 1102 1 9 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.823 9.389 18019 1103 1 9 . 1 1 19 19 CYS H H 19 8.132 8.132 7.607 0.525 18019 1104 1 9 . 1 1 20 20 CYS N N 20 123.615 123.615 122.034 1.581 18019 1105 1 9 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.535 -0.133 18019 1106 1 9 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.202 -4.901 18019 1107 1 9 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.654 10.025 18019 1108 1 9 . 1 1 20 20 CYS H H 20 10.015 10.015 8.715 1.300 18019 1109 1 9 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.030 -0.144 18019 1110 1 9 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.147 -0.442 18019 1111 1 9 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.632 -1.177 18019 1112 1 9 . 1 1 21 21 ILE H H 21 8.097 8.097 8.648 -0.551 18019 1113 1 9 . 1 1 22 22 GLY N N 22 114.980 114.980 114.820 0.160 18019 1114 1 9 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.280 -0.858 18019 1115 1 9 . 1 1 22 22 GLY H H 22 8.717 8.717 8.560 0.157 18019 1116 1 9 . 1 1 23 23 LEU N N 23 120.903 120.903 118.443 2.460 18019 1117 1 9 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.045 -0.068 18019 1118 1 9 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.323 -0.069 18019 1119 1 9 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.240 -2.033 18019 1120 1 9 . 1 1 23 23 LEU H H 23 8.066 8.066 7.368 0.698 18019 1121 1 9 . 1 1 24 24 GLN N N 24 118.630 118.630 117.741 0.889 18019 1122 1 9 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.629 -0.097 18019 1123 1 9 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.768 -1.022 18019 1124 1 9 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.346 -0.903 18019 1125 1 9 . 1 1 24 24 GLN H H 24 9.483 9.483 8.804 0.679 18019 1126 1 9 . 1 1 25 25 CYS N N 25 125.114 125.114 125.225 -0.111 18019 1127 1 9 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.263 -0.529 18019 1128 1 9 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.024 14.374 18019 1129 1 9 . 1 1 25 25 CYS H H 25 8.865 8.865 8.893 -0.028 18019 1130 1 9 . 1 1 26 26 ARG N N 26 133.389 133.389 127.962 5.427 18019 1131 1 9 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.505 -0.115 18019 1132 1 9 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.359 0.636 18019 1133 1 9 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.252 -0.739 18019 1134 1 9 . 1 1 26 26 ARG H H 26 9.517 9.517 9.199 0.318 18019 1135 1 9 . 1 1 27 27 TYR N N 27 122.855 122.855 119.028 3.827 18019 1136 1 9 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.249 -0.094 18019 1137 1 9 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.435 -0.515 18019 1138 1 9 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.346 0.104 18019 1139 1 9 . 1 1 27 27 TYR H H 27 8.949 8.949 8.500 0.449 18019 1140 1 9 . 1 1 28 28 GLY N N 28 102.916 102.916 103.346 -0.430 18019 1141 1 9 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.319 0.651 18019 1142 1 9 . 1 1 28 28 GLY H H 28 8.327 8.327 8.738 -0.411 18019 1143 1 9 . 1 1 29 29 LYS N N 29 122.470 122.470 118.191 4.279 18019 1144 1 9 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019 1145 1 9 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.890 -0.175 18019 1146 1 9 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.954 0.091 18019 1147 1 9 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019 1148 1 9 . 1 1 30 30 CYS N N 30 119.755 119.755 119.678 0.077 18019 1149 1 9 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.648 -0.803 18019 1150 1 9 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.578 -3.086 18019 1151 1 9 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.690 11.419 18019 1152 1 9 . 1 1 30 30 CYS H H 30 8.812 8.812 8.270 0.542 18019 1153 1 9 . 1 1 31 31 LEU N N 31 127.374 127.374 123.618 3.756 18019 1154 1 9 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.017 -0.184 18019 1155 1 9 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.524 1.468 18019 1156 1 9 . 1 1 31 31 LEU H H 31 9.161 9.161 9.143 0.018 18019 1157 1 9 . 1 1 32 32 VAL N N 32 119.330 119.330 119.536 -0.206 18019 1158 1 9 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.006 -0.084 18019 1159 1 9 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.974 2.648 18019 1160 1 9 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.289 -0.045 18019 1161 1 9 . 1 1 32 32 VAL H H 32 8.105 8.105 8.235 -0.130 18019 1162 1 10 . 1 1 2 2 CYS N N 2 117.089 117.089 116.552 0.537 18019 1163 1 10 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.821 0.047 18019 1164 1 10 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.889 -3.920 18019 1165 1 10 . 1 1 2 2 CYS H H 2 8.734 8.734 8.384 0.350 18019 1166 1 10 . 1 1 3 3 GLY N N 3 106.623 106.623 107.462 -0.839 18019 1167 1 10 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.087 2.336 18019 1168 1 10 . 1 1 3 3 GLY H H 3 9.036 9.036 8.218 0.818 18019 1169 1 10 . 1 1 4 4 HIS N N 4 126.621 126.621 116.389 10.232 18019 1170 1 10 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.509 -0.180 18019 1171 1 10 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.794 -0.377 18019 1172 1 10 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.031 -3.118 18019 1173 1 10 . 1 1 4 4 HIS H H 4 9.430 9.430 7.585 1.845 18019 1174 1 10 . 1 1 5 5 LEU N N 5 121.401 121.401 119.431 1.970 18019 1175 1 10 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.130 -0.380 18019 1176 1 10 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.706 0.841 18019 1177 1 10 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.385 -0.929 18019 1178 1 10 . 1 1 5 5 LEU H H 5 8.382 8.382 8.309 0.073 18019 1179 1 10 . 1 1 6 6 HIS N N 6 116.370 116.370 112.634 3.736 18019 1180 1 10 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.007 -1.055 18019 1181 1 10 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.650 3.879 18019 1182 1 10 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.323 -1.525 18019 1183 1 10 . 1 1 6 6 HIS H H 6 9.611 9.611 8.186 1.425 18019 1184 1 10 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.932 0.022 18019 1185 1 10 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.055 1.291 18019 1186 1 10 . 1 1 7 7 ASP H H 7 8.793 8.793 7.260 1.533 18019 1187 1 10 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.508 0.422 18019 1188 1 10 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.719 -0.337 18019 1189 1 10 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.663 0.383 18019 1190 1 10 . 1 1 9 9 CYS N N 9 116.579 116.579 114.836 1.743 18019 1191 1 10 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.232 -0.026 18019 1192 1 10 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.418 -1.868 18019 1193 1 10 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.067 15.982 18019 1194 1 10 . 1 1 9 9 CYS H H 9 8.235 8.235 8.437 -0.202 18019 1195 1 10 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.324 0.074 18019 1196 1 10 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.516 0.202 18019 1197 1 10 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.099 -0.218 18019 1198 1 10 . 1 1 11 11 ASN N N 11 116.436 116.436 117.623 -1.187 18019 1199 1 10 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.733 0.201 18019 1200 1 10 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.705 -0.322 18019 1201 1 10 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.091 0.878 18019 1202 1 10 . 1 1 11 11 ASN H H 11 8.901 8.901 8.224 0.677 18019 1203 1 10 . 1 1 12 12 ASP N N 12 121.980 121.980 121.268 0.712 18019 1204 1 10 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.492 0.518 18019 1205 1 10 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.810 0.475 18019 1206 1 10 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.189 3.776 18019 1207 1 10 . 1 1 12 12 ASP H H 12 7.045 7.045 7.562 -0.517 18019 1208 1 10 . 1 1 13 13 ARG N N 13 124.183 124.183 123.454 0.729 18019 1209 1 10 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.878 -0.041 18019 1210 1 10 . 1 1 13 13 ARG H H 13 8.214 8.214 7.853 0.361 18019 1211 1 10 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.364 -0.157 18019 1212 1 10 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.902 0.946 18019 1213 1 10 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.311 0.717 18019 1214 1 10 . 1 1 15 15 GLY N N 15 113.652 113.652 112.899 0.753 18019 1215 1 10 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.947 0.289 18019 1216 1 10 . 1 1 15 15 GLY H H 15 8.932 8.932 8.659 0.273 18019 1217 1 10 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.708 -0.069 18019 1218 1 10 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.060 -0.865 18019 1219 1 10 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.352 -3.065 18019 1220 1 10 . 1 1 16 16 HIS H H 16 8.764 8.764 7.895 0.869 18019 1221 1 10 . 1 1 17 17 ARG N N 17 123.881 123.881 124.489 -0.608 18019 1222 1 10 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.655 0.073 18019 1223 1 10 . 1 1 17 17 ARG H H 17 8.632 8.632 8.274 0.358 18019 1224 1 10 . 1 1 18 18 THR N N 18 114.176 114.176 111.950 2.226 18019 1225 1 10 . 1 1 18 18 THR HA H 18 4.496 4.496 4.422 0.074 18019 1226 1 10 . 1 1 18 18 THR CA C 18 62.491 62.491 61.759 0.732 18019 1227 1 10 . 1 1 18 18 THR H H 18 9.527 9.527 8.479 1.048 18019 1228 1 10 . 1 1 19 19 CYS N N 19 122.166 122.166 118.432 3.734 18019 1229 1 10 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.729 -0.010 18019 1230 1 10 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.662 -3.168 18019 1231 1 10 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.306 8.906 18019 1232 1 10 . 1 1 19 19 CYS H H 19 8.132 8.132 7.661 0.471 18019 1233 1 10 . 1 1 20 20 CYS N N 20 123.615 123.615 122.043 1.572 18019 1234 1 10 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.524 -0.122 18019 1235 1 10 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.274 -4.973 18019 1236 1 10 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.628 10.051 18019 1237 1 10 . 1 1 20 20 CYS H H 20 10.015 10.015 8.714 1.301 18019 1238 1 10 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.030 -0.144 18019 1239 1 10 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.159 -0.454 18019 1240 1 10 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.656 -1.201 18019 1241 1 10 . 1 1 21 21 ILE H H 21 8.097 8.097 8.635 -0.538 18019 1242 1 10 . 1 1 22 22 GLY N N 22 114.980 114.980 114.792 0.188 18019 1243 1 10 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.295 -0.873 18019 1244 1 10 . 1 1 22 22 GLY H H 22 8.717 8.717 8.555 0.162 18019 1245 1 10 . 1 1 23 23 LEU N N 23 120.903 120.903 118.260 2.643 18019 1246 1 10 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.062 -0.085 18019 1247 1 10 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.250 0.004 18019 1248 1 10 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.284 -2.077 18019 1249 1 10 . 1 1 23 23 LEU H H 23 8.066 8.066 7.390 0.676 18019 1250 1 10 . 1 1 24 24 GLN N N 24 118.630 118.630 117.689 0.941 18019 1251 1 10 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.650 -0.118 18019 1252 1 10 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.884 -1.138 18019 1253 1 10 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.266 -0.823 18019 1254 1 10 . 1 1 24 24 GLN H H 24 9.483 9.483 8.855 0.628 18019 1255 1 10 . 1 1 25 25 CYS N N 25 125.114 125.114 125.218 -0.104 18019 1256 1 10 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.302 -0.568 18019 1257 1 10 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.208 14.190 18019 1258 1 10 . 1 1 25 25 CYS H H 25 8.865 8.865 8.891 -0.026 18019 1259 1 10 . 1 1 26 26 ARG N N 26 133.389 133.389 127.980 5.409 18019 1260 1 10 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.482 -0.092 18019 1261 1 10 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.550 0.445 18019 1262 1 10 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.741 -1.228 18019 1263 1 10 . 1 1 26 26 ARG H H 26 9.517 9.517 9.236 0.281 18019 1264 1 10 . 1 1 27 27 TYR N N 27 122.855 122.855 119.051 3.804 18019 1265 1 10 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.249 -0.094 18019 1266 1 10 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.434 -0.513 18019 1267 1 10 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.344 0.106 18019 1268 1 10 . 1 1 27 27 TYR H H 27 8.949 8.949 8.500 0.449 18019 1269 1 10 . 1 1 28 28 GLY N N 28 102.916 102.916 103.377 -0.461 18019 1270 1 10 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.310 0.660 18019 1271 1 10 . 1 1 28 28 GLY H H 28 8.327 8.327 8.737 -0.410 18019 1272 1 10 . 1 1 29 29 LYS N N 29 122.470 122.470 118.195 4.275 18019 1273 1 10 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019 1274 1 10 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.901 -0.186 18019 1275 1 10 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.944 0.101 18019 1276 1 10 . 1 1 29 29 LYS H H 29 7.926 7.926 7.617 0.309 18019 1277 1 10 . 1 1 30 30 CYS N N 30 119.755 119.755 119.567 0.188 18019 1278 1 10 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.658 -0.813 18019 1279 1 10 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.541 -3.049 18019 1280 1 10 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.747 11.362 18019 1281 1 10 . 1 1 30 30 CYS H H 30 8.812 8.812 8.266 0.546 18019 1282 1 10 . 1 1 31 31 LEU N N 31 127.374 127.374 123.210 4.164 18019 1283 1 10 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.984 -0.151 18019 1284 1 10 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.303 1.689 18019 1285 1 10 . 1 1 31 31 LEU H H 31 9.161 9.161 9.161 0.000 18019 1286 1 10 . 1 1 32 32 VAL N N 32 119.330 119.330 119.862 -0.532 18019 1287 1 10 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.060 -0.138 18019 1288 1 10 . 1 1 32 32 VAL CA C 32 64.622 64.622 60.959 3.663 18019 1289 1 10 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.671 0.573 18019 1290 1 10 . 1 1 32 32 VAL H H 32 8.105 8.105 8.211 -0.106 18019 1291 1 11 . 1 1 2 2 CYS N N 2 117.089 117.089 115.328 1.761 18019 1292 1 11 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.806 0.062 18019 1293 1 11 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.456 -3.486 18019 1294 1 11 . 1 1 2 2 CYS H H 2 8.734 8.734 8.014 0.720 18019 1295 1 11 . 1 1 3 3 GLY N N 3 106.623 106.623 107.454 -0.831 18019 1296 1 11 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.030 2.393 18019 1297 1 11 . 1 1 3 3 GLY H H 3 9.036 9.036 8.181 0.855 18019 1298 1 11 . 1 1 4 4 HIS N N 4 126.621 126.621 116.395 10.226 18019 1299 1 11 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.494 -0.165 18019 1300 1 11 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.783 -0.366 18019 1301 1 11 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.029 -3.116 18019 1302 1 11 . 1 1 4 4 HIS H H 4 9.430 9.430 7.573 1.857 18019 1303 1 11 . 1 1 5 5 LEU N N 5 121.401 121.401 119.415 1.986 18019 1304 1 11 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019 1305 1 11 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.701 0.846 18019 1306 1 11 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.395 -0.940 18019 1307 1 11 . 1 1 5 5 LEU H H 5 8.382 8.382 8.298 0.084 18019 1308 1 11 . 1 1 6 6 HIS N N 6 116.370 116.370 113.248 3.122 18019 1309 1 11 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.006 -1.054 18019 1310 1 11 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.290 4.239 18019 1311 1 11 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.589 -1.791 18019 1312 1 11 . 1 1 6 6 HIS H H 6 9.611 9.611 8.070 1.541 18019 1313 1 11 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.966 -0.012 18019 1314 1 11 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.102 1.244 18019 1315 1 11 . 1 1 7 7 ASP H H 7 8.793 8.793 7.444 1.349 18019 1316 1 11 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.465 0.465 18019 1317 1 11 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.714 -0.332 18019 1318 1 11 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.880 0.166 18019 1319 1 11 . 1 1 9 9 CYS N N 9 116.579 116.579 114.124 2.455 18019 1320 1 11 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.234 -0.028 18019 1321 1 11 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.398 -1.848 18019 1322 1 11 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.744 16.305 18019 1323 1 11 . 1 1 9 9 CYS H H 9 8.235 8.235 8.235 -0.000 18019 1324 1 11 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.320 0.078 18019 1325 1 11 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.475 0.242 18019 1326 1 11 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.105 -0.224 18019 1327 1 11 . 1 1 11 11 ASN N N 11 116.436 116.436 118.129 -1.693 18019 1328 1 11 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.761 0.173 18019 1329 1 11 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.677 -0.294 18019 1330 1 11 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.196 0.773 18019 1331 1 11 . 1 1 11 11 ASN H H 11 8.901 8.901 8.279 0.622 18019 1332 1 11 . 1 1 12 12 ASP N N 12 121.980 121.980 121.325 0.655 18019 1333 1 11 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.516 0.494 18019 1334 1 11 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.815 0.471 18019 1335 1 11 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.068 3.897 18019 1336 1 11 . 1 1 12 12 ASP H H 12 7.045 7.045 7.597 -0.552 18019 1337 1 11 . 1 1 13 13 ARG N N 13 124.183 124.183 123.475 0.708 18019 1338 1 11 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.880 -0.043 18019 1339 1 11 . 1 1 13 13 ARG H H 13 8.214 8.214 7.841 0.373 18019 1340 1 11 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.376 -0.169 18019 1341 1 11 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.932 0.916 18019 1342 1 11 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.296 0.732 18019 1343 1 11 . 1 1 15 15 GLY N N 15 113.652 113.652 113.165 0.487 18019 1344 1 11 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.932 0.304 18019 1345 1 11 . 1 1 15 15 GLY H H 15 8.932 8.932 8.764 0.168 18019 1346 1 11 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.722 -0.083 18019 1347 1 11 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.261 -1.066 18019 1348 1 11 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.593 -2.306 18019 1349 1 11 . 1 1 16 16 HIS H H 16 8.764 8.764 7.841 0.923 18019 1350 1 11 . 1 1 17 17 ARG N N 17 123.881 123.881 125.159 -1.278 18019 1351 1 11 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.634 0.094 18019 1352 1 11 . 1 1 17 17 ARG H H 17 8.632 8.632 8.175 0.457 18019 1353 1 11 . 1 1 18 18 THR N N 18 114.176 114.176 111.880 2.296 18019 1354 1 11 . 1 1 18 18 THR HA H 18 4.496 4.496 4.328 0.168 18019 1355 1 11 . 1 1 18 18 THR CA C 18 62.491 62.491 61.692 0.799 18019 1356 1 11 . 1 1 18 18 THR H H 18 9.527 9.527 8.418 1.109 18019 1357 1 11 . 1 1 19 19 CYS N N 19 122.166 122.166 118.405 3.761 18019 1358 1 11 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.694 0.025 18019 1359 1 11 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.652 -3.158 18019 1360 1 11 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.291 8.921 18019 1361 1 11 . 1 1 19 19 CYS H H 19 8.132 8.132 7.601 0.531 18019 1362 1 11 . 1 1 20 20 CYS N N 20 123.615 123.615 121.578 2.037 18019 1363 1 11 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.451 -0.049 18019 1364 1 11 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.601 -5.300 18019 1365 1 11 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.399 10.280 18019 1366 1 11 . 1 1 20 20 CYS H H 20 10.015 10.015 8.696 1.319 18019 1367 1 11 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.006 -0.120 18019 1368 1 11 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.282 0.423 18019 1369 1 11 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.777 -1.322 18019 1370 1 11 . 1 1 21 21 ILE H H 21 8.097 8.097 8.552 -0.455 18019 1371 1 11 . 1 1 22 22 GLY N N 22 114.980 114.980 115.303 -0.323 18019 1372 1 11 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.274 -0.852 18019 1373 1 11 . 1 1 22 22 GLY H H 22 8.717 8.717 8.481 0.236 18019 1374 1 11 . 1 1 23 23 LEU N N 23 120.903 120.903 118.381 2.522 18019 1375 1 11 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.048 -0.071 18019 1376 1 11 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.347 -0.093 18019 1377 1 11 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.352 -2.145 18019 1378 1 11 . 1 1 23 23 LEU H H 23 8.066 8.066 7.394 0.672 18019 1379 1 11 . 1 1 24 24 GLN N N 24 118.630 118.630 118.247 0.383 18019 1380 1 11 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.575 -0.043 18019 1381 1 11 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.649 -0.903 18019 1382 1 11 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.497 -1.054 18019 1383 1 11 . 1 1 24 24 GLN H H 24 9.483 9.483 8.796 0.687 18019 1384 1 11 . 1 1 25 25 CYS N N 25 125.114 125.114 125.018 0.096 18019 1385 1 11 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.451 -0.717 18019 1386 1 11 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.255 14.143 18019 1387 1 11 . 1 1 25 25 CYS H H 25 8.865 8.865 8.860 0.005 18019 1388 1 11 . 1 1 26 26 ARG N N 26 133.389 133.389 127.930 5.459 18019 1389 1 11 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.483 -0.093 18019 1390 1 11 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.577 0.418 18019 1391 1 11 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.827 -1.314 18019 1392 1 11 . 1 1 26 26 ARG H H 26 9.517 9.517 9.093 0.424 18019 1393 1 11 . 1 1 27 27 TYR N N 27 122.855 122.855 118.915 3.940 18019 1394 1 11 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.193 -0.038 18019 1395 1 11 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.227 -0.307 18019 1396 1 11 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.385 0.065 18019 1397 1 11 . 1 1 27 27 TYR H H 27 8.949 8.949 8.819 0.130 18019 1398 1 11 . 1 1 28 28 GLY N N 28 102.916 102.916 103.260 -0.344 18019 1399 1 11 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.493 0.477 18019 1400 1 11 . 1 1 28 28 GLY H H 28 8.327 8.327 8.719 -0.392 18019 1401 1 11 . 1 1 29 29 LYS N N 29 122.470 122.470 118.285 4.185 18019 1402 1 11 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.702 0.380 18019 1403 1 11 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.845 -0.130 18019 1404 1 11 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.872 0.173 18019 1405 1 11 . 1 1 29 29 LYS H H 29 7.926 7.926 7.622 0.304 18019 1406 1 11 . 1 1 30 30 CYS N N 30 119.755 119.755 118.692 1.063 18019 1407 1 11 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.708 -0.863 18019 1408 1 11 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.194 -2.702 18019 1409 1 11 . 1 1 30 30 CYS CB C 30 39.109 39.109 28.218 10.891 18019 1410 1 11 . 1 1 30 30 CYS H H 30 8.812 8.812 8.243 0.569 18019 1411 1 11 . 1 1 31 31 LEU N N 31 127.374 127.374 122.509 4.865 18019 1412 1 11 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.000 -0.167 18019 1413 1 11 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.446 1.546 18019 1414 1 11 . 1 1 31 31 LEU H H 31 9.161 9.161 9.143 0.018 18019 1415 1 11 . 1 1 32 32 VAL N N 32 119.330 119.330 120.155 -0.825 18019 1416 1 11 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.990 -0.068 18019 1417 1 11 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.007 2.615 18019 1418 1 11 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.149 0.095 18019 1419 1 11 . 1 1 32 32 VAL H H 32 8.105 8.105 8.264 -0.159 18019 1420 1 12 . 1 1 2 2 CYS N N 2 117.089 117.089 116.446 0.643 18019 1421 1 12 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.815 0.053 18019 1422 1 12 . 1 1 2 2 CYS CA C 2 53.969 53.969 58.013 -4.044 18019 1423 1 12 . 1 1 2 2 CYS H H 2 8.734 8.734 8.431 0.303 18019 1424 1 12 . 1 1 3 3 GLY N N 3 106.623 106.623 107.431 -0.808 18019 1425 1 12 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.066 2.357 18019 1426 1 12 . 1 1 3 3 GLY H H 3 9.036 9.036 8.221 0.815 18019 1427 1 12 . 1 1 4 4 HIS N N 4 126.621 126.621 116.406 10.215 18019 1428 1 12 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.505 -0.176 18019 1429 1 12 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.794 -0.377 18019 1430 1 12 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.028 -3.115 18019 1431 1 12 . 1 1 4 4 HIS H H 4 9.430 9.430 7.579 1.851 18019 1432 1 12 . 1 1 5 5 LEU N N 5 121.401 121.401 119.423 1.978 18019 1433 1 12 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.131 -0.381 18019 1434 1 12 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.709 0.838 18019 1435 1 12 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.402 -0.947 18019 1436 1 12 . 1 1 5 5 LEU H H 5 8.382 8.382 8.305 0.077 18019 1437 1 12 . 1 1 6 6 HIS N N 6 116.370 116.370 113.252 3.118 18019 1438 1 12 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.012 -1.060 18019 1439 1 12 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.288 4.242 18019 1440 1 12 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.591 -1.793 18019 1441 1 12 . 1 1 6 6 HIS H H 6 9.611 9.611 8.074 1.537 18019 1442 1 12 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.971 -0.017 18019 1443 1 12 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.108 1.238 18019 1444 1 12 . 1 1 7 7 ASP H H 7 8.793 8.793 7.453 1.340 18019 1445 1 12 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.497 0.433 18019 1446 1 12 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.721 -0.339 18019 1447 1 12 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.686 0.360 18019 1448 1 12 . 1 1 9 9 CYS N N 9 116.579 116.579 114.215 2.364 18019 1449 1 12 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.234 -0.028 18019 1450 1 12 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.636 -2.086 18019 1451 1 12 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.989 16.060 18019 1452 1 12 . 1 1 9 9 CYS H H 9 8.235 8.235 8.436 -0.201 18019 1453 1 12 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.362 0.036 18019 1454 1 12 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.212 0.505 18019 1455 1 12 . 1 1 10 10 PRO CB C 10 31.881 31.881 31.936 -0.055 18019 1456 1 12 . 1 1 11 11 ASN N N 11 116.436 116.436 117.994 -1.558 18019 1457 1 12 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.732 0.202 18019 1458 1 12 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.904 -0.521 18019 1459 1 12 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.248 0.721 18019 1460 1 12 . 1 1 11 11 ASN H H 11 8.901 8.901 8.101 0.800 18019 1461 1 12 . 1 1 12 12 ASP N N 12 121.980 121.980 121.170 0.810 18019 1462 1 12 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.462 0.548 18019 1463 1 12 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.866 0.419 18019 1464 1 12 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.032 3.933 18019 1465 1 12 . 1 1 12 12 ASP H H 12 7.045 7.045 7.514 -0.469 18019 1466 1 12 . 1 1 13 13 ARG N N 13 124.183 124.183 124.815 -0.632 18019 1467 1 12 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.805 0.032 18019 1468 1 12 . 1 1 13 13 ARG H H 13 8.214 8.214 7.789 0.425 18019 1469 1 12 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.350 -0.143 18019 1470 1 12 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.944 0.904 18019 1471 1 12 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.277 0.750 18019 1472 1 12 . 1 1 15 15 GLY N N 15 113.652 113.652 113.001 0.651 18019 1473 1 12 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.891 0.345 18019 1474 1 12 . 1 1 15 15 GLY H H 15 8.932 8.932 8.640 0.292 18019 1475 1 12 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.740 -0.101 18019 1476 1 12 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.866 -0.671 18019 1477 1 12 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.182 -2.895 18019 1478 1 12 . 1 1 16 16 HIS H H 16 8.764 8.764 7.873 0.891 18019 1479 1 12 . 1 1 17 17 ARG N N 17 123.881 123.881 123.531 0.350 18019 1480 1 12 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.695 0.033 18019 1481 1 12 . 1 1 17 17 ARG H H 17 8.632 8.632 8.376 0.256 18019 1482 1 12 . 1 1 18 18 THR N N 18 114.176 114.176 110.700 3.476 18019 1483 1 12 . 1 1 18 18 THR HA H 18 4.496 4.496 4.403 0.093 18019 1484 1 12 . 1 1 18 18 THR CA C 18 62.491 62.491 62.007 0.484 18019 1485 1 12 . 1 1 18 18 THR H H 18 9.527 9.527 8.318 1.209 18019 1486 1 12 . 1 1 19 19 CYS N N 19 122.166 122.166 118.441 3.725 18019 1487 1 12 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.735 -0.016 18019 1488 1 12 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.772 -3.278 18019 1489 1 12 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.812 9.400 18019 1490 1 12 . 1 1 19 19 CYS H H 19 8.132 8.132 7.618 0.514 18019 1491 1 12 . 1 1 20 20 CYS N N 20 123.615 123.615 122.037 1.578 18019 1492 1 12 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.520 -0.118 18019 1493 1 12 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.274 -4.973 18019 1494 1 12 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.523 10.156 18019 1495 1 12 . 1 1 20 20 CYS H H 20 10.015 10.015 8.711 1.304 18019 1496 1 12 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.009 -0.123 18019 1497 1 12 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.666 0.039 18019 1498 1 12 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.791 -1.336 18019 1499 1 12 . 1 1 21 21 ILE H H 21 8.097 8.097 8.607 -0.510 18019 1500 1 12 . 1 1 22 22 GLY N N 22 114.980 114.980 114.684 0.296 18019 1501 1 12 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.258 -0.836 18019 1502 1 12 . 1 1 22 22 GLY H H 22 8.717 8.717 8.541 0.176 18019 1503 1 12 . 1 1 23 23 LEU N N 23 120.903 120.903 118.403 2.500 18019 1504 1 12 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.070 -0.093 18019 1505 1 12 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.312 -0.058 18019 1506 1 12 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.202 -1.995 18019 1507 1 12 . 1 1 23 23 LEU H H 23 8.066 8.066 7.418 0.648 18019 1508 1 12 . 1 1 24 24 GLN N N 24 118.630 118.630 118.416 0.214 18019 1509 1 12 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.559 -0.027 18019 1510 1 12 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.665 -0.919 18019 1511 1 12 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.514 -1.071 18019 1512 1 12 . 1 1 24 24 GLN H H 24 9.483 9.483 8.886 0.597 18019 1513 1 12 . 1 1 25 25 CYS N N 25 125.114 125.114 125.255 -0.141 18019 1514 1 12 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.380 -0.646 18019 1515 1 12 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.125 14.273 18019 1516 1 12 . 1 1 25 25 CYS H H 25 8.865 8.865 8.868 -0.003 18019 1517 1 12 . 1 1 26 26 ARG N N 26 133.389 133.389 127.412 5.977 18019 1518 1 12 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.479 -0.089 18019 1519 1 12 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.203 0.792 18019 1520 1 12 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.517 -1.004 18019 1521 1 12 . 1 1 26 26 ARG H H 26 9.517 9.517 9.084 0.433 18019 1522 1 12 . 1 1 27 27 TYR N N 27 122.855 122.855 119.144 3.711 18019 1523 1 12 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.250 -0.095 18019 1524 1 12 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.452 -0.532 18019 1525 1 12 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.388 0.062 18019 1526 1 12 . 1 1 27 27 TYR H H 27 8.949 8.949 8.515 0.434 18019 1527 1 12 . 1 1 28 28 GLY N N 28 102.916 102.916 103.192 -0.276 18019 1528 1 12 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.332 0.638 18019 1529 1 12 . 1 1 28 28 GLY H H 28 8.327 8.327 8.746 -0.419 18019 1530 1 12 . 1 1 29 29 LYS N N 29 122.470 122.470 118.287 4.183 18019 1531 1 12 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.707 0.375 18019 1532 1 12 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.819 -0.104 18019 1533 1 12 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.875 0.170 18019 1534 1 12 . 1 1 29 29 LYS H H 29 7.926 7.926 7.629 0.297 18019 1535 1 12 . 1 1 30 30 CYS N N 30 119.755 119.755 118.680 1.075 18019 1536 1 12 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.717 -0.872 18019 1537 1 12 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.196 -2.704 18019 1538 1 12 . 1 1 30 30 CYS CB C 30 39.109 39.109 28.234 10.875 18019 1539 1 12 . 1 1 30 30 CYS H H 30 8.812 8.812 8.253 0.559 18019 1540 1 12 . 1 1 31 31 LEU N N 31 127.374 127.374 123.022 4.352 18019 1541 1 12 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.032 -0.199 18019 1542 1 12 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.500 1.492 18019 1543 1 12 . 1 1 31 31 LEU H H 31 9.161 9.161 9.129 0.032 18019 1544 1 12 . 1 1 32 32 VAL N N 32 119.330 119.330 119.458 -0.128 18019 1545 1 12 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.053 -0.131 18019 1546 1 12 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.880 2.742 18019 1547 1 12 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.618 -0.374 18019 1548 1 12 . 1 1 32 32 VAL H H 32 8.105 8.105 8.270 -0.165 18019 1549 1 13 . 1 1 2 2 CYS N N 2 117.089 117.089 116.467 0.622 18019 1550 1 13 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.862 0.006 18019 1551 1 13 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.441 -3.472 18019 1552 1 13 . 1 1 2 2 CYS H H 2 8.734 8.734 7.853 0.881 18019 1553 1 13 . 1 1 3 3 GLY N N 3 106.623 106.623 107.438 -0.815 18019 1554 1 13 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.034 2.389 18019 1555 1 13 . 1 1 3 3 GLY H H 3 9.036 9.036 8.193 0.843 18019 1556 1 13 . 1 1 4 4 HIS N N 4 126.621 126.621 116.402 10.219 18019 1557 1 13 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.495 -0.166 18019 1558 1 13 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.783 -0.366 18019 1559 1 13 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.031 -3.118 18019 1560 1 13 . 1 1 4 4 HIS H H 4 9.430 9.430 7.577 1.853 18019 1561 1 13 . 1 1 5 5 LEU N N 5 121.401 121.401 119.427 1.974 18019 1562 1 13 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.123 -0.373 18019 1563 1 13 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.705 0.843 18019 1564 1 13 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.394 -0.939 18019 1565 1 13 . 1 1 5 5 LEU H H 5 8.382 8.382 8.298 0.084 18019 1566 1 13 . 1 1 6 6 HIS N N 6 116.370 116.370 113.083 3.287 18019 1567 1 13 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.938 -0.986 18019 1568 1 13 . 1 1 6 6 HIS CA C 6 58.529 58.529 55.181 3.348 18019 1569 1 13 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.230 -1.432 18019 1570 1 13 . 1 1 6 6 HIS H H 6 9.611 9.611 8.192 1.419 18019 1571 1 13 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.939 0.015 18019 1572 1 13 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.249 1.097 18019 1573 1 13 . 1 1 7 7 ASP H H 7 8.793 8.793 7.305 1.488 18019 1574 1 13 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.469 0.461 18019 1575 1 13 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.720 -0.338 18019 1576 1 13 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.898 0.148 18019 1577 1 13 . 1 1 9 9 CYS N N 9 116.579 116.579 113.955 2.624 18019 1578 1 13 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.240 -0.034 18019 1579 1 13 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.431 -1.881 18019 1580 1 13 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.760 16.289 18019 1581 1 13 . 1 1 9 9 CYS H H 9 8.235 8.235 8.253 -0.018 18019 1582 1 13 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.336 0.062 18019 1583 1 13 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.582 0.135 18019 1584 1 13 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.097 -0.216 18019 1585 1 13 . 1 1 11 11 ASN N N 11 116.436 116.436 117.557 -1.121 18019 1586 1 13 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.746 0.188 18019 1587 1 13 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.598 -0.215 18019 1588 1 13 . 1 1 11 11 ASN CB C 11 38.969 38.969 37.978 0.991 18019 1589 1 13 . 1 1 11 11 ASN H H 11 8.901 8.901 8.227 0.674 18019 1590 1 13 . 1 1 12 12 ASP N N 12 121.980 121.980 121.312 0.668 18019 1591 1 13 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.503 0.507 18019 1592 1 13 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.703 0.583 18019 1593 1 13 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.095 3.870 18019 1594 1 13 . 1 1 12 12 ASP H H 12 7.045 7.045 7.548 -0.503 18019 1595 1 13 . 1 1 13 13 ARG N N 13 124.183 124.183 123.407 0.776 18019 1596 1 13 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.872 -0.035 18019 1597 1 13 . 1 1 13 13 ARG H H 13 8.214 8.214 7.832 0.382 18019 1598 1 13 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.383 -0.176 18019 1599 1 13 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.980 0.868 18019 1600 1 13 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.351 0.677 18019 1601 1 13 . 1 1 15 15 GLY N N 15 113.652 113.652 113.082 0.570 18019 1602 1 13 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.919 0.317 18019 1603 1 13 . 1 1 15 15 GLY H H 15 8.932 8.932 8.759 0.173 18019 1604 1 13 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.708 -0.069 18019 1605 1 13 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.313 -1.118 18019 1606 1 13 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.680 -2.393 18019 1607 1 13 . 1 1 16 16 HIS H H 16 8.764 8.764 7.827 0.937 18019 1608 1 13 . 1 1 17 17 ARG N N 17 123.881 123.881 124.552 -0.671 18019 1609 1 13 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.636 0.092 18019 1610 1 13 . 1 1 17 17 ARG H H 17 8.632 8.632 8.245 0.387 18019 1611 1 13 . 1 1 18 18 THR N N 18 114.176 114.176 110.618 3.558 18019 1612 1 13 . 1 1 18 18 THR HA H 18 4.496 4.496 4.345 0.151 18019 1613 1 13 . 1 1 18 18 THR CA C 18 62.491 62.491 61.990 0.501 18019 1614 1 13 . 1 1 18 18 THR H H 18 9.527 9.527 8.293 1.234 18019 1615 1 13 . 1 1 19 19 CYS N N 19 122.166 122.166 118.412 3.754 18019 1616 1 13 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.710 0.009 18019 1617 1 13 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.751 -3.257 18019 1618 1 13 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.750 9.462 18019 1619 1 13 . 1 1 19 19 CYS H H 19 8.132 8.132 7.559 0.573 18019 1620 1 13 . 1 1 20 20 CYS N N 20 123.615 123.615 122.099 1.516 18019 1621 1 13 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.477 -0.075 18019 1622 1 13 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.352 -5.051 18019 1623 1 13 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.466 10.213 18019 1624 1 13 . 1 1 20 20 CYS H H 20 10.015 10.015 8.688 1.327 18019 1625 1 13 . 1 1 21 21 ILE HA H 21 3.886 3.886 3.993 -0.107 18019 1626 1 13 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.663 0.042 18019 1627 1 13 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.806 -1.351 18019 1628 1 13 . 1 1 21 21 ILE H H 21 8.097 8.097 8.584 -0.487 18019 1629 1 13 . 1 1 22 22 GLY N N 22 114.980 114.980 114.614 0.366 18019 1630 1 13 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.258 -0.836 18019 1631 1 13 . 1 1 22 22 GLY H H 22 8.717 8.717 8.527 0.190 18019 1632 1 13 . 1 1 23 23 LEU N N 23 120.903 120.903 118.254 2.649 18019 1633 1 13 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.080 -0.103 18019 1634 1 13 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.261 -0.007 18019 1635 1 13 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.197 -1.990 18019 1636 1 13 . 1 1 23 23 LEU H H 23 8.066 8.066 7.398 0.668 18019 1637 1 13 . 1 1 24 24 GLN N N 24 118.630 118.630 117.530 1.100 18019 1638 1 13 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.576 -0.044 18019 1639 1 13 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.670 -0.925 18019 1640 1 13 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.340 -0.896 18019 1641 1 13 . 1 1 24 24 GLN H H 24 9.483 9.483 8.748 0.735 18019 1642 1 13 . 1 1 25 25 CYS N N 25 125.114 125.114 124.999 0.115 18019 1643 1 13 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.446 -0.712 18019 1644 1 13 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.222 14.176 18019 1645 1 13 . 1 1 25 25 CYS H H 25 8.865 8.865 8.857 0.008 18019 1646 1 13 . 1 1 26 26 ARG N N 26 133.389 133.389 127.954 5.435 18019 1647 1 13 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.476 -0.086 18019 1648 1 13 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.534 0.461 18019 1649 1 13 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.873 -1.360 18019 1650 1 13 . 1 1 26 26 ARG H H 26 9.517 9.517 9.106 0.411 18019 1651 1 13 . 1 1 27 27 TYR N N 27 122.855 122.855 119.146 3.709 18019 1652 1 13 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.249 -0.094 18019 1653 1 13 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.453 -0.533 18019 1654 1 13 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.389 0.061 18019 1655 1 13 . 1 1 27 27 TYR H H 27 8.949 8.949 8.514 0.435 18019 1656 1 13 . 1 1 28 28 GLY N N 28 102.916 102.916 103.183 -0.267 18019 1657 1 13 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.333 0.637 18019 1658 1 13 . 1 1 28 28 GLY H H 28 8.327 8.327 8.743 -0.416 18019 1659 1 13 . 1 1 29 29 LYS N N 29 122.470 122.470 118.280 4.190 18019 1660 1 13 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.703 0.379 18019 1661 1 13 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.844 -0.129 18019 1662 1 13 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.864 0.181 18019 1663 1 13 . 1 1 29 29 LYS H H 29 7.926 7.926 7.623 0.303 18019 1664 1 13 . 1 1 30 30 CYS N N 30 119.755 119.755 118.674 1.081 18019 1665 1 13 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.709 -0.864 18019 1666 1 13 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.204 -2.712 18019 1667 1 13 . 1 1 30 30 CYS CB C 30 39.109 39.109 28.231 10.878 18019 1668 1 13 . 1 1 30 30 CYS H H 30 8.812 8.812 8.244 0.568 18019 1669 1 13 . 1 1 31 31 LEU N N 31 127.374 127.374 122.466 4.908 18019 1670 1 13 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.999 -0.166 18019 1671 1 13 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.445 1.547 18019 1672 1 13 . 1 1 31 31 LEU H H 31 9.161 9.161 9.141 0.020 18019 1673 1 13 . 1 1 32 32 VAL N N 32 119.330 119.330 119.989 -0.659 18019 1674 1 13 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.008 -0.086 18019 1675 1 13 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.949 2.673 18019 1676 1 13 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.412 -0.168 18019 1677 1 13 . 1 1 32 32 VAL H H 32 8.105 8.105 8.291 -0.186 18019 1678 1 14 . 1 1 2 2 CYS N N 2 117.089 117.089 116.001 1.088 18019 1679 1 14 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.755 0.113 18019 1680 1 14 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.636 -3.667 18019 1681 1 14 . 1 1 2 2 CYS H H 2 8.734 8.734 8.138 0.596 18019 1682 1 14 . 1 1 3 3 GLY N N 3 106.623 106.623 107.473 -0.850 18019 1683 1 14 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.164 2.259 18019 1684 1 14 . 1 1 3 3 GLY H H 3 9.036 9.036 8.245 0.791 18019 1685 1 14 . 1 1 4 4 HIS N N 4 126.621 126.621 116.616 10.005 18019 1686 1 14 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.496 -0.167 18019 1687 1 14 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.915 -0.498 18019 1688 1 14 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.967 -3.054 18019 1689 1 14 . 1 1 4 4 HIS H H 4 9.430 9.430 7.541 1.889 18019 1690 1 14 . 1 1 5 5 LEU N N 5 121.401 121.401 119.528 1.873 18019 1691 1 14 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.118 -0.368 18019 1692 1 14 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.746 0.801 18019 1693 1 14 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.322 -0.867 18019 1694 1 14 . 1 1 5 5 LEU H H 5 8.382 8.382 8.294 0.088 18019 1695 1 14 . 1 1 6 6 HIS N N 6 116.370 116.370 112.952 3.418 18019 1696 1 14 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.992 -1.040 18019 1697 1 14 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.651 3.878 18019 1698 1 14 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.340 -1.542 18019 1699 1 14 . 1 1 6 6 HIS H H 6 9.611 9.611 8.156 1.455 18019 1700 1 14 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.935 0.019 18019 1701 1 14 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.327 1.019 18019 1702 1 14 . 1 1 7 7 ASP H H 7 8.793 8.793 7.320 1.473 18019 1703 1 14 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.500 0.430 18019 1704 1 14 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.740 -0.358 18019 1705 1 14 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.572 0.474 18019 1706 1 14 . 1 1 9 9 CYS N N 9 116.579 116.579 115.714 0.865 18019 1707 1 14 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.236 -0.030 18019 1708 1 14 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.325 -1.775 18019 1709 1 14 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.970 16.079 18019 1710 1 14 . 1 1 9 9 CYS H H 9 8.235 8.235 8.431 -0.196 18019 1711 1 14 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.325 0.073 18019 1712 1 14 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.515 0.202 18019 1713 1 14 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.089 -0.208 18019 1714 1 14 . 1 1 11 11 ASN N N 11 116.436 116.436 118.090 -1.654 18019 1715 1 14 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.769 0.165 18019 1716 1 14 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.574 -0.191 18019 1717 1 14 . 1 1 11 11 ASN CB C 11 38.969 38.969 37.933 1.036 18019 1718 1 14 . 1 1 11 11 ASN H H 11 8.901 8.901 8.234 0.667 18019 1719 1 14 . 1 1 12 12 ASP N N 12 121.980 121.980 120.995 0.985 18019 1720 1 14 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.443 0.567 18019 1721 1 14 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.975 0.310 18019 1722 1 14 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.152 3.813 18019 1723 1 14 . 1 1 12 12 ASP H H 12 7.045 7.045 7.498 -0.453 18019 1724 1 14 . 1 1 13 13 ARG N N 13 124.183 124.183 125.016 -0.833 18019 1725 1 14 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.814 0.023 18019 1726 1 14 . 1 1 13 13 ARG H H 13 8.214 8.214 7.778 0.436 18019 1727 1 14 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.368 -0.161 18019 1728 1 14 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.781 1.067 18019 1729 1 14 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.252 0.776 18019 1730 1 14 . 1 1 15 15 GLY N N 15 113.652 113.652 113.130 0.522 18019 1731 1 14 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.943 0.293 18019 1732 1 14 . 1 1 15 15 GLY H H 15 8.932 8.932 8.751 0.181 18019 1733 1 14 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.730 -0.091 18019 1734 1 14 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.178 -0.983 18019 1735 1 14 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.629 -2.342 18019 1736 1 14 . 1 1 16 16 HIS H H 16 8.764 8.764 7.851 0.913 18019 1737 1 14 . 1 1 17 17 ARG N N 17 123.881 123.881 124.558 -0.677 18019 1738 1 14 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.602 0.126 18019 1739 1 14 . 1 1 17 17 ARG H H 17 8.632 8.632 8.179 0.453 18019 1740 1 14 . 1 1 18 18 THR N N 18 114.176 114.176 111.049 3.127 18019 1741 1 14 . 1 1 18 18 THR HA H 18 4.496 4.496 4.353 0.143 18019 1742 1 14 . 1 1 18 18 THR CA C 18 62.491 62.491 61.674 0.817 18019 1743 1 14 . 1 1 18 18 THR H H 18 9.527 9.527 8.414 1.113 18019 1744 1 14 . 1 1 19 19 CYS N N 19 122.166 122.166 118.358 3.808 18019 1745 1 14 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.731 -0.012 18019 1746 1 14 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.678 -3.183 18019 1747 1 14 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.022 9.190 18019 1748 1 14 . 1 1 19 19 CYS H H 19 8.132 8.132 7.613 0.519 18019 1749 1 14 . 1 1 20 20 CYS N N 20 123.615 123.615 121.488 2.127 18019 1750 1 14 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.485 -0.083 18019 1751 1 14 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.356 -5.055 18019 1752 1 14 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.717 9.962 18019 1753 1 14 . 1 1 20 20 CYS H H 20 10.015 10.015 8.665 1.350 18019 1754 1 14 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.018 -0.132 18019 1755 1 14 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.239 -0.534 18019 1756 1 14 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.576 -1.121 18019 1757 1 14 . 1 1 21 21 ILE H H 21 8.097 8.097 8.745 -0.648 18019 1758 1 14 . 1 1 22 22 GLY N N 22 114.980 114.980 115.117 -0.137 18019 1759 1 14 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.156 -0.734 18019 1760 1 14 . 1 1 22 22 GLY H H 22 8.717 8.717 8.547 0.170 18019 1761 1 14 . 1 1 23 23 LEU N N 23 120.903 120.903 118.482 2.421 18019 1762 1 14 . 1 1 23 23 LEU HA H 23 4.977 4.977 4.998 -0.021 18019 1763 1 14 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.361 -0.107 18019 1764 1 14 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.288 -2.081 18019 1765 1 14 . 1 1 23 23 LEU H H 23 8.066 8.066 7.406 0.660 18019 1766 1 14 . 1 1 24 24 GLN N N 24 118.630 118.630 117.718 0.912 18019 1767 1 14 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.626 -0.094 18019 1768 1 14 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.854 -1.108 18019 1769 1 14 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.348 -0.905 18019 1770 1 14 . 1 1 24 24 GLN H H 24 9.483 9.483 8.789 0.694 18019 1771 1 14 . 1 1 25 25 CYS N N 25 125.114 125.114 125.267 -0.153 18019 1772 1 14 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.290 -0.556 18019 1773 1 14 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.205 14.193 18019 1774 1 14 . 1 1 25 25 CYS H H 25 8.865 8.865 8.869 -0.004 18019 1775 1 14 . 1 1 26 26 ARG N N 26 133.389 133.389 128.000 5.389 18019 1776 1 14 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.470 -0.080 18019 1777 1 14 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.471 0.524 18019 1778 1 14 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.776 -1.263 18019 1779 1 14 . 1 1 26 26 ARG H H 26 9.517 9.517 9.222 0.295 18019 1780 1 14 . 1 1 27 27 TYR N N 27 122.855 122.855 119.028 3.827 18019 1781 1 14 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.247 -0.092 18019 1782 1 14 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.428 -0.508 18019 1783 1 14 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.337 0.112 18019 1784 1 14 . 1 1 27 27 TYR H H 27 8.949 8.949 8.495 0.454 18019 1785 1 14 . 1 1 28 28 GLY N N 28 102.916 102.916 103.408 -0.492 18019 1786 1 14 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.293 0.677 18019 1787 1 14 . 1 1 28 28 GLY H H 28 8.327 8.327 8.734 -0.407 18019 1788 1 14 . 1 1 29 29 LYS N N 29 122.470 122.470 118.234 4.236 18019 1789 1 14 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.696 0.386 18019 1790 1 14 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.824 -0.109 18019 1791 1 14 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.982 0.063 18019 1792 1 14 . 1 1 29 29 LYS H H 29 7.926 7.926 7.624 0.302 18019 1793 1 14 . 1 1 30 30 CYS N N 30 119.755 119.755 119.813 -0.058 18019 1794 1 14 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.592 -0.747 18019 1795 1 14 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.487 -2.995 18019 1796 1 14 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.618 11.491 18019 1797 1 14 . 1 1 30 30 CYS H H 30 8.812 8.812 8.270 0.542 18019 1798 1 14 . 1 1 31 31 LEU N N 31 127.374 127.374 123.413 3.961 18019 1799 1 14 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.853 -0.020 18019 1800 1 14 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.333 1.659 18019 1801 1 14 . 1 1 31 31 LEU H H 31 9.161 9.161 9.143 0.018 18019 1802 1 14 . 1 1 32 32 VAL N N 32 119.330 119.330 119.786 -0.456 18019 1803 1 14 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.093 -0.171 18019 1804 1 14 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.050 3.572 18019 1805 1 14 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.840 0.404 18019 1806 1 14 . 1 1 32 32 VAL H H 32 8.105 8.105 8.261 -0.156 18019 1807 1 15 . 1 1 2 2 CYS N N 2 117.089 117.089 115.345 1.744 18019 1808 1 15 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.706 0.162 18019 1809 1 15 . 1 1 2 2 CYS CA C 2 53.969 53.969 58.029 -4.060 18019 1810 1 15 . 1 1 2 2 CYS H H 2 8.734 8.734 7.985 0.749 18019 1811 1 15 . 1 1 3 3 GLY N N 3 106.623 106.623 107.459 -0.836 18019 1812 1 15 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.091 2.332 18019 1813 1 15 . 1 1 3 3 GLY H H 3 9.036 9.036 8.201 0.835 18019 1814 1 15 . 1 1 4 4 HIS N N 4 126.621 126.621 116.387 10.234 18019 1815 1 15 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.500 -0.171 18019 1816 1 15 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.793 -0.376 18019 1817 1 15 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.006 -3.093 18019 1818 1 15 . 1 1 4 4 HIS H H 4 9.430 9.430 7.563 1.867 18019 1819 1 15 . 1 1 5 5 LEU N N 5 121.401 121.401 119.420 1.981 18019 1820 1 15 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.122 -0.372 18019 1821 1 15 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.701 0.846 18019 1822 1 15 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.373 -0.918 18019 1823 1 15 . 1 1 5 5 LEU H H 5 8.382 8.382 8.304 0.078 18019 1824 1 15 . 1 1 6 6 HIS N N 6 116.370 116.370 113.249 3.121 18019 1825 1 15 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.993 -1.041 18019 1826 1 15 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.943 3.586 18019 1827 1 15 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.266 -1.468 18019 1828 1 15 . 1 1 6 6 HIS H H 6 9.611 9.611 8.138 1.473 18019 1829 1 15 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.931 0.023 18019 1830 1 15 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.271 1.075 18019 1831 1 15 . 1 1 7 7 ASP H H 7 8.793 8.793 7.307 1.486 18019 1832 1 15 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.470 0.460 18019 1833 1 15 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.710 -0.328 18019 1834 1 15 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.775 0.271 18019 1835 1 15 . 1 1 9 9 CYS N N 9 116.579 116.579 115.267 1.312 18019 1836 1 15 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.240 -0.034 18019 1837 1 15 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.259 -1.709 18019 1838 1 15 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.691 16.358 18019 1839 1 15 . 1 1 9 9 CYS H H 9 8.235 8.235 8.288 -0.053 18019 1840 1 15 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.322 0.076 18019 1841 1 15 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.486 0.232 18019 1842 1 15 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.089 -0.208 18019 1843 1 15 . 1 1 11 11 ASN N N 11 116.436 116.436 117.641 -1.205 18019 1844 1 15 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.728 0.206 18019 1845 1 15 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.715 -0.332 18019 1846 1 15 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.105 0.864 18019 1847 1 15 . 1 1 11 11 ASN H H 11 8.901 8.901 8.220 0.681 18019 1848 1 15 . 1 1 12 12 ASP N N 12 121.980 121.980 121.217 0.763 18019 1849 1 15 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.441 0.569 18019 1850 1 15 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.877 0.408 18019 1851 1 15 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.150 3.815 18019 1852 1 15 . 1 1 12 12 ASP H H 12 7.045 7.045 7.503 -0.458 18019 1853 1 15 . 1 1 13 13 ARG N N 13 124.183 124.183 125.058 -0.875 18019 1854 1 15 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.824 0.013 18019 1855 1 15 . 1 1 13 13 ARG H H 13 8.214 8.214 7.861 0.353 18019 1856 1 15 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.368 -0.161 18019 1857 1 15 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.898 0.950 18019 1858 1 15 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.228 0.800 18019 1859 1 15 . 1 1 15 15 GLY N N 15 113.652 113.652 113.144 0.508 18019 1860 1 15 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.995 0.241 18019 1861 1 15 . 1 1 15 15 GLY H H 15 8.932 8.932 8.732 0.201 18019 1862 1 15 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.746 -0.107 18019 1863 1 15 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.017 -0.822 18019 1864 1 15 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.798 -2.511 18019 1865 1 15 . 1 1 16 16 HIS H H 16 8.764 8.764 7.892 0.872 18019 1866 1 15 . 1 1 17 17 ARG N N 17 123.881 123.881 124.028 -0.147 18019 1867 1 15 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.678 0.050 18019 1868 1 15 . 1 1 17 17 ARG H H 17 8.632 8.632 8.214 0.418 18019 1869 1 15 . 1 1 18 18 THR N N 18 114.176 114.176 110.990 3.186 18019 1870 1 15 . 1 1 18 18 THR HA H 18 4.496 4.496 4.346 0.150 18019 1871 1 15 . 1 1 18 18 THR CA C 18 62.491 62.491 61.884 0.607 18019 1872 1 15 . 1 1 18 18 THR H H 18 9.527 9.527 8.395 1.132 18019 1873 1 15 . 1 1 19 19 CYS N N 19 122.166 122.166 118.407 3.759 18019 1874 1 15 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.714 0.005 18019 1875 1 15 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.687 -3.193 18019 1876 1 15 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.833 9.379 18019 1877 1 15 . 1 1 19 19 CYS H H 19 8.132 8.132 7.578 0.554 18019 1878 1 15 . 1 1 20 20 CYS N N 20 123.615 123.615 121.402 2.213 18019 1879 1 15 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.483 -0.081 18019 1880 1 15 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.459 -5.158 18019 1881 1 15 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.615 10.064 18019 1882 1 15 . 1 1 20 20 CYS H H 20 10.015 10.015 8.708 1.307 18019 1883 1 15 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.016 -0.130 18019 1884 1 15 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.617 0.088 18019 1885 1 15 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.642 -1.187 18019 1886 1 15 . 1 1 21 21 ILE H H 21 8.097 8.097 8.603 -0.506 18019 1887 1 15 . 1 1 22 22 GLY N N 22 114.980 114.980 115.396 -0.416 18019 1888 1 15 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.353 -0.931 18019 1889 1 15 . 1 1 22 22 GLY H H 22 8.717 8.717 8.522 0.195 18019 1890 1 15 . 1 1 23 23 LEU N N 23 120.903 120.903 118.354 2.549 18019 1891 1 15 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.031 -0.054 18019 1892 1 15 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.315 -0.061 18019 1893 1 15 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.209 -2.002 18019 1894 1 15 . 1 1 23 23 LEU H H 23 8.066 8.066 7.370 0.696 18019 1895 1 15 . 1 1 24 24 GLN N N 24 118.630 118.630 117.487 1.143 18019 1896 1 15 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.617 -0.085 18019 1897 1 15 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.770 -1.024 18019 1898 1 15 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.318 -0.875 18019 1899 1 15 . 1 1 24 24 GLN H H 24 9.483 9.483 8.747 0.736 18019 1900 1 15 . 1 1 25 25 CYS N N 25 125.114 125.114 125.113 0.001 18019 1901 1 15 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.269 -0.535 18019 1902 1 15 . 1 1 25 25 CYS CB C 25 40.398 40.398 25.979 14.419 18019 1903 1 15 . 1 1 25 25 CYS H H 25 8.865 8.865 8.875 -0.010 18019 1904 1 15 . 1 1 26 26 ARG N N 26 133.389 133.389 128.069 5.320 18019 1905 1 15 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.484 -0.094 18019 1906 1 15 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.248 0.747 18019 1907 1 15 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.348 -0.835 18019 1908 1 15 . 1 1 26 26 ARG H H 26 9.517 9.517 9.222 0.295 18019 1909 1 15 . 1 1 27 27 TYR N N 27 122.855 122.855 119.044 3.811 18019 1910 1 15 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.247 -0.092 18019 1911 1 15 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.434 -0.514 18019 1912 1 15 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.345 0.105 18019 1913 1 15 . 1 1 27 27 TYR H H 27 8.949 8.949 8.500 0.449 18019 1914 1 15 . 1 1 28 28 GLY N N 28 102.916 102.916 103.397 -0.481 18019 1915 1 15 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.303 0.667 18019 1916 1 15 . 1 1 28 28 GLY H H 28 8.327 8.327 8.738 -0.411 18019 1917 1 15 . 1 1 29 29 LYS N N 29 122.470 122.470 118.200 4.270 18019 1918 1 15 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.698 0.384 18019 1919 1 15 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.852 -0.137 18019 1920 1 15 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.954 0.091 18019 1921 1 15 . 1 1 29 29 LYS H H 29 7.926 7.926 7.623 0.303 18019 1922 1 15 . 1 1 30 30 CYS N N 30 119.755 119.755 119.591 0.164 18019 1923 1 15 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.656 -0.811 18019 1924 1 15 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.521 -3.029 18019 1925 1 15 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.712 11.397 18019 1926 1 15 . 1 1 30 30 CYS H H 30 8.812 8.812 8.270 0.542 18019 1927 1 15 . 1 1 31 31 LEU N N 31 127.374 127.374 123.664 3.710 18019 1928 1 15 . 1 1 31 31 LEU HA H 31 4.833 4.833 5.011 -0.178 18019 1929 1 15 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.546 1.446 18019 1930 1 15 . 1 1 31 31 LEU H H 31 9.161 9.161 9.145 0.016 18019 1931 1 15 . 1 1 32 32 VAL N N 32 119.330 119.330 119.492 -0.162 18019 1932 1 15 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.014 -0.092 18019 1933 1 15 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.019 2.603 18019 1934 1 15 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.268 -0.024 18019 1935 1 15 . 1 1 32 32 VAL H H 32 8.105 8.105 8.258 -0.153 18019 1936 1 16 . 1 1 2 2 CYS N N 2 117.089 117.089 115.236 1.853 18019 1937 1 16 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.748 0.120 18019 1938 1 16 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.956 -3.987 18019 1939 1 16 . 1 1 2 2 CYS H H 2 8.734 8.734 7.840 0.894 18019 1940 1 16 . 1 1 3 3 GLY N N 3 106.623 106.623 107.436 -0.813 18019 1941 1 16 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.038 2.385 18019 1942 1 16 . 1 1 3 3 GLY H H 3 9.036 9.036 8.121 0.915 18019 1943 1 16 . 1 1 4 4 HIS N N 4 126.621 126.621 116.450 10.171 18019 1944 1 16 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.496 -0.167 18019 1945 1 16 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.798 -0.381 18019 1946 1 16 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.957 -3.044 18019 1947 1 16 . 1 1 4 4 HIS H H 4 9.430 9.430 7.533 1.897 18019 1948 1 16 . 1 1 5 5 LEU N N 5 121.401 121.401 119.527 1.874 18019 1949 1 16 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.117 -0.367 18019 1950 1 16 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.731 0.816 18019 1951 1 16 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.317 -0.862 18019 1952 1 16 . 1 1 5 5 LEU H H 5 8.382 8.382 8.300 0.082 18019 1953 1 16 . 1 1 6 6 HIS N N 6 116.370 116.370 113.412 2.958 18019 1954 1 16 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.974 -1.022 18019 1955 1 16 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.318 4.211 18019 1956 1 16 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.506 -1.708 18019 1957 1 16 . 1 1 6 6 HIS H H 6 9.611 9.611 8.051 1.560 18019 1958 1 16 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.963 -0.009 18019 1959 1 16 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.154 1.192 18019 1960 1 16 . 1 1 7 7 ASP H H 7 8.793 8.793 7.448 1.345 18019 1961 1 16 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.498 0.432 18019 1962 1 16 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.686 -0.304 18019 1963 1 16 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.710 0.336 18019 1964 1 16 . 1 1 9 9 CYS N N 9 116.579 116.579 114.396 2.183 18019 1965 1 16 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.178 0.028 18019 1966 1 16 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.420 -1.871 18019 1967 1 16 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.043 16.006 18019 1968 1 16 . 1 1 9 9 CYS H H 9 8.235 8.235 8.403 -0.168 18019 1969 1 16 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.354 0.044 18019 1970 1 16 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.217 0.500 18019 1971 1 16 . 1 1 10 10 PRO CB C 10 31.881 31.881 31.946 -0.065 18019 1972 1 16 . 1 1 11 11 ASN N N 11 116.436 116.436 117.949 -1.513 18019 1973 1 16 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.736 0.198 18019 1974 1 16 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.870 -0.487 18019 1975 1 16 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.148 0.821 18019 1976 1 16 . 1 1 11 11 ASN H H 11 8.901 8.901 8.121 0.780 18019 1977 1 16 . 1 1 12 12 ASP N N 12 121.980 121.980 121.224 0.756 18019 1978 1 16 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.451 0.559 18019 1979 1 16 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.952 0.333 18019 1980 1 16 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.230 3.735 18019 1981 1 16 . 1 1 12 12 ASP H H 12 7.045 7.045 7.538 -0.493 18019 1982 1 16 . 1 1 13 13 ARG N N 13 124.183 124.183 123.587 0.596 18019 1983 1 16 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.878 -0.041 18019 1984 1 16 . 1 1 13 13 ARG H H 13 8.214 8.214 7.825 0.389 18019 1985 1 16 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.367 -0.160 18019 1986 1 16 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.797 1.051 18019 1987 1 16 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.247 0.781 18019 1988 1 16 . 1 1 15 15 GLY N N 15 113.652 113.652 113.150 0.502 18019 1989 1 16 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.967 0.270 18019 1990 1 16 . 1 1 15 15 GLY H H 15 8.932 8.932 8.751 0.181 18019 1991 1 16 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.747 -0.108 18019 1992 1 16 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.997 -0.802 18019 1993 1 16 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.618 -2.331 18019 1994 1 16 . 1 1 16 16 HIS H H 16 8.764 8.764 7.855 0.909 18019 1995 1 16 . 1 1 17 17 ARG N N 17 123.881 123.881 124.601 -0.720 18019 1996 1 16 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.589 0.139 18019 1997 1 16 . 1 1 17 17 ARG H H 17 8.632 8.632 8.155 0.477 18019 1998 1 16 . 1 1 18 18 THR N N 18 114.176 114.176 110.980 3.196 18019 1999 1 16 . 1 1 18 18 THR HA H 18 4.496 4.496 4.312 0.184 18019 2000 1 16 . 1 1 18 18 THR CA C 18 62.491 62.491 61.962 0.529 18019 2001 1 16 . 1 1 18 18 THR H H 18 9.527 9.527 8.393 1.134 18019 2002 1 16 . 1 1 19 19 CYS N N 19 122.166 122.166 118.218 3.948 18019 2003 1 16 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.723 -0.004 18019 2004 1 16 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.808 -3.314 18019 2005 1 16 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.939 9.273 18019 2006 1 16 . 1 1 19 19 CYS H H 19 8.132 8.132 7.562 0.570 18019 2007 1 16 . 1 1 20 20 CYS N N 20 123.615 123.615 121.499 2.116 18019 2008 1 16 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.511 -0.109 18019 2009 1 16 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.322 -5.021 18019 2010 1 16 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.614 10.065 18019 2011 1 16 . 1 1 20 20 CYS H H 20 10.015 10.015 8.683 1.332 18019 2012 1 16 . 1 1 21 21 ILE HA H 21 3.886 3.886 3.973 -0.087 18019 2013 1 16 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.623 0.082 18019 2014 1 16 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.785 -1.330 18019 2015 1 16 . 1 1 21 21 ILE H H 21 8.097 8.097 8.410 -0.313 18019 2016 1 16 . 1 1 22 22 GLY N N 22 114.980 114.980 115.114 -0.134 18019 2017 1 16 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.373 -0.951 18019 2018 1 16 . 1 1 22 22 GLY H H 22 8.717 8.717 8.676 0.041 18019 2019 1 16 . 1 1 23 23 LEU N N 23 120.903 120.903 118.392 2.511 18019 2020 1 16 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.044 -0.067 18019 2021 1 16 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.379 -0.125 18019 2022 1 16 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.370 -2.163 18019 2023 1 16 . 1 1 23 23 LEU H H 23 8.066 8.066 7.423 0.643 18019 2024 1 16 . 1 1 24 24 GLN N N 24 118.630 118.630 118.391 0.239 18019 2025 1 16 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.570 -0.038 18019 2026 1 16 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.571 -0.825 18019 2027 1 16 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.470 -1.027 18019 2028 1 16 . 1 1 24 24 GLN H H 24 9.483 9.483 8.958 0.525 18019 2029 1 16 . 1 1 25 25 CYS N N 25 125.114 125.114 125.455 -0.341 18019 2030 1 16 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.223 -0.489 18019 2031 1 16 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.172 14.226 18019 2032 1 16 . 1 1 25 25 CYS H H 25 8.865 8.865 8.909 -0.044 18019 2033 1 16 . 1 1 26 26 ARG N N 26 133.389 133.389 127.515 5.874 18019 2034 1 16 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.475 -0.085 18019 2035 1 16 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.300 0.695 18019 2036 1 16 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.457 -0.944 18019 2037 1 16 . 1 1 26 26 ARG H H 26 9.517 9.517 9.204 0.313 18019 2038 1 16 . 1 1 27 27 TYR N N 27 122.855 122.855 118.793 4.062 18019 2039 1 16 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.199 -0.044 18019 2040 1 16 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.260 -0.340 18019 2041 1 16 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.181 0.269 18019 2042 1 16 . 1 1 27 27 TYR H H 27 8.949 8.949 8.823 0.126 18019 2043 1 16 . 1 1 28 28 GLY N N 28 102.916 102.916 103.175 -0.259 18019 2044 1 16 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.353 0.617 18019 2045 1 16 . 1 1 28 28 GLY H H 28 8.327 8.327 8.715 -0.388 18019 2046 1 16 . 1 1 29 29 LYS N N 29 122.470 122.470 118.186 4.284 18019 2047 1 16 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.697 0.385 18019 2048 1 16 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.855 -0.140 18019 2049 1 16 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.963 0.082 18019 2050 1 16 . 1 1 29 29 LYS H H 29 7.926 7.926 7.616 0.310 18019 2051 1 16 . 1 1 30 30 CYS N N 30 119.755 119.755 119.579 0.176 18019 2052 1 16 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.610 -0.765 18019 2053 1 16 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.400 -2.908 18019 2054 1 16 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.730 11.379 18019 2055 1 16 . 1 1 30 30 CYS H H 30 8.812 8.812 8.253 0.559 18019 2056 1 16 . 1 1 31 31 LEU N N 31 127.374 127.374 123.324 4.050 18019 2057 1 16 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.870 -0.037 18019 2058 1 16 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.245 1.747 18019 2059 1 16 . 1 1 31 31 LEU H H 31 9.161 9.161 9.135 0.026 18019 2060 1 16 . 1 1 32 32 VAL N N 32 119.330 119.330 119.711 -0.381 18019 2061 1 16 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.973 -0.051 18019 2062 1 16 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.700 2.922 18019 2063 1 16 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.036 1.208 18019 2064 1 16 . 1 1 32 32 VAL H H 32 8.105 8.105 8.269 -0.164 18019 2065 1 17 . 1 1 2 2 CYS N N 2 117.089 117.089 116.608 0.481 18019 2066 1 17 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.783 0.085 18019 2067 1 17 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.787 -3.818 18019 2068 1 17 . 1 1 2 2 CYS H H 2 8.734 8.734 8.442 0.292 18019 2069 1 17 . 1 1 3 3 GLY N N 3 106.623 106.623 107.466 -0.843 18019 2070 1 17 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.036 2.387 18019 2071 1 17 . 1 1 3 3 GLY H H 3 9.036 9.036 8.111 0.925 18019 2072 1 17 . 1 1 4 4 HIS N N 4 126.621 126.621 116.447 10.174 18019 2073 1 17 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.498 -0.169 18019 2074 1 17 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.798 -0.381 18019 2075 1 17 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.964 -3.051 18019 2076 1 17 . 1 1 4 4 HIS H H 4 9.430 9.430 7.535 1.895 18019 2077 1 17 . 1 1 5 5 LEU N N 5 121.401 121.401 119.531 1.870 18019 2078 1 17 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.117 -0.367 18019 2079 1 17 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.732 0.815 18019 2080 1 17 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.314 -0.859 18019 2081 1 17 . 1 1 5 5 LEU H H 5 8.382 8.382 8.301 0.081 18019 2082 1 17 . 1 1 6 6 HIS N N 6 116.370 116.370 113.025 3.345 18019 2083 1 17 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.925 -0.973 18019 2084 1 17 . 1 1 6 6 HIS CA C 6 58.529 58.529 55.065 3.464 18019 2085 1 17 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.218 -1.421 18019 2086 1 17 . 1 1 6 6 HIS H H 6 9.611 9.611 8.179 1.432 18019 2087 1 17 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.928 0.026 18019 2088 1 17 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.251 1.095 18019 2089 1 17 . 1 1 7 7 ASP H H 7 8.793 8.793 7.293 1.500 18019 2090 1 17 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.504 0.426 18019 2091 1 17 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.710 -0.328 18019 2092 1 17 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.690 0.356 18019 2093 1 17 . 1 1 9 9 CYS N N 9 116.579 116.579 114.532 2.047 18019 2094 1 17 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.230 -0.024 18019 2095 1 17 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.462 -1.912 18019 2096 1 17 . 1 1 9 9 CYS CB C 9 43.049 43.049 27.055 15.994 18019 2097 1 17 . 1 1 9 9 CYS H H 9 8.235 8.235 8.473 -0.238 18019 2098 1 17 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.326 0.072 18019 2099 1 17 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.515 0.202 18019 2100 1 17 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.101 -0.220 18019 2101 1 17 . 1 1 11 11 ASN N N 11 116.436 116.436 118.007 -1.571 18019 2102 1 17 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.758 0.176 18019 2103 1 17 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.653 -0.270 18019 2104 1 17 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.012 0.957 18019 2105 1 17 . 1 1 11 11 ASN H H 11 8.901 8.901 8.200 0.701 18019 2106 1 17 . 1 1 12 12 ASP N N 12 121.980 121.980 120.851 1.129 18019 2107 1 17 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.487 0.523 18019 2108 1 17 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.850 0.435 18019 2109 1 17 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.103 3.862 18019 2110 1 17 . 1 1 12 12 ASP H H 12 7.045 7.045 7.499 -0.454 18019 2111 1 17 . 1 1 13 13 ARG N N 13 124.183 124.183 123.610 0.573 18019 2112 1 17 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.881 -0.044 18019 2113 1 17 . 1 1 13 13 ARG H H 13 8.214 8.214 7.834 0.380 18019 2114 1 17 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.377 -0.170 18019 2115 1 17 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.911 0.937 18019 2116 1 17 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.305 0.723 18019 2117 1 17 . 1 1 15 15 GLY N N 15 113.652 113.652 113.129 0.523 18019 2118 1 17 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.926 0.310 18019 2119 1 17 . 1 1 15 15 GLY H H 15 8.932 8.932 8.750 0.182 18019 2120 1 17 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.716 -0.077 18019 2121 1 17 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.290 -1.095 18019 2122 1 17 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.667 -2.380 18019 2123 1 17 . 1 1 16 16 HIS H H 16 8.764 8.764 7.840 0.924 18019 2124 1 17 . 1 1 17 17 ARG N N 17 123.881 123.881 124.581 -0.700 18019 2125 1 17 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.643 0.085 18019 2126 1 17 . 1 1 17 17 ARG H H 17 8.632 8.632 8.146 0.486 18019 2127 1 17 . 1 1 18 18 THR N N 18 114.176 114.176 111.355 2.821 18019 2128 1 17 . 1 1 18 18 THR HA H 18 4.496 4.496 4.373 0.123 18019 2129 1 17 . 1 1 18 18 THR CA C 18 62.491 62.491 61.628 0.863 18019 2130 1 17 . 1 1 18 18 THR H H 18 9.527 9.527 8.434 1.093 18019 2131 1 17 . 1 1 19 19 CYS N N 19 122.166 122.166 118.281 3.885 18019 2132 1 17 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.729 -0.010 18019 2133 1 17 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.628 -3.134 18019 2134 1 17 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.044 9.168 18019 2135 1 17 . 1 1 19 19 CYS H H 19 8.132 8.132 7.606 0.526 18019 2136 1 17 . 1 1 20 20 CYS N N 20 123.615 123.615 121.537 2.078 18019 2137 1 17 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.504 -0.102 18019 2138 1 17 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.199 -4.898 18019 2139 1 17 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.610 10.069 18019 2140 1 17 . 1 1 20 20 CYS H H 20 10.015 10.015 8.678 1.337 18019 2141 1 17 . 1 1 21 21 ILE HA H 21 3.886 3.886 3.964 -0.078 18019 2142 1 17 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.465 0.240 18019 2143 1 17 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.719 -1.264 18019 2144 1 17 . 1 1 21 21 ILE H H 21 8.097 8.097 8.413 -0.316 18019 2145 1 17 . 1 1 22 22 GLY N N 22 114.980 114.980 115.122 -0.142 18019 2146 1 17 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.381 -0.959 18019 2147 1 17 . 1 1 22 22 GLY H H 22 8.717 8.717 8.677 0.040 18019 2148 1 17 . 1 1 23 23 LEU N N 23 120.903 120.903 118.415 2.488 18019 2149 1 17 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.041 -0.064 18019 2150 1 17 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.361 -0.107 18019 2151 1 17 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.378 -2.171 18019 2152 1 17 . 1 1 23 23 LEU H H 23 8.066 8.066 7.389 0.677 18019 2153 1 17 . 1 1 24 24 GLN N N 24 118.630 118.630 117.570 1.060 18019 2154 1 17 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.605 -0.073 18019 2155 1 17 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.639 -0.893 18019 2156 1 17 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.389 -0.946 18019 2157 1 17 . 1 1 24 24 GLN H H 24 9.483 9.483 8.836 0.647 18019 2158 1 17 . 1 1 25 25 CYS N N 25 125.114 125.114 125.442 -0.328 18019 2159 1 17 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.217 -0.483 18019 2160 1 17 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.008 14.390 18019 2161 1 17 . 1 1 25 25 CYS H H 25 8.865 8.865 8.883 -0.018 18019 2162 1 17 . 1 1 26 26 ARG N N 26 133.389 133.389 127.326 6.063 18019 2163 1 17 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.461 -0.071 18019 2164 1 17 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.096 0.899 18019 2165 1 17 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.458 -0.945 18019 2166 1 17 . 1 1 26 26 ARG H H 26 9.517 9.517 9.206 0.311 18019 2167 1 17 . 1 1 27 27 TYR N N 27 122.855 122.855 118.939 3.916 18019 2168 1 17 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.247 -0.092 18019 2169 1 17 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.436 -0.516 18019 2170 1 17 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.343 0.107 18019 2171 1 17 . 1 1 27 27 TYR H H 27 8.949 8.949 8.498 0.451 18019 2172 1 17 . 1 1 28 28 GLY N N 28 102.916 102.916 103.294 -0.378 18019 2173 1 17 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.324 0.646 18019 2174 1 17 . 1 1 28 28 GLY H H 28 8.327 8.327 8.740 -0.413 18019 2175 1 17 . 1 1 29 29 LYS N N 29 122.470 122.470 118.183 4.287 18019 2176 1 17 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019 2177 1 17 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.869 -0.154 18019 2178 1 17 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.967 0.078 18019 2179 1 17 . 1 1 29 29 LYS H H 29 7.926 7.926 7.618 0.308 18019 2180 1 17 . 1 1 30 30 CYS N N 30 119.755 119.755 119.597 0.158 18019 2181 1 17 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.613 -0.768 18019 2182 1 17 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.400 -2.908 18019 2183 1 17 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.730 11.379 18019 2184 1 17 . 1 1 30 30 CYS H H 30 8.812 8.812 8.255 0.557 18019 2185 1 17 . 1 1 31 31 LEU N N 31 127.374 127.374 123.312 4.062 18019 2186 1 17 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.871 -0.038 18019 2187 1 17 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.311 1.681 18019 2188 1 17 . 1 1 31 31 LEU H H 31 9.161 9.161 9.128 0.033 18019 2189 1 17 . 1 1 32 32 VAL N N 32 119.330 119.330 119.562 -0.232 18019 2190 1 17 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.955 -0.033 18019 2191 1 17 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.236 2.386 18019 2192 1 17 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.267 0.977 18019 2193 1 17 . 1 1 32 32 VAL H H 32 8.105 8.105 8.262 -0.157 18019 2194 1 18 . 1 1 2 2 CYS N N 2 117.089 117.089 116.340 0.749 18019 2195 1 18 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.825 0.043 18019 2196 1 18 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.610 -3.641 18019 2197 1 18 . 1 1 2 2 CYS H H 2 8.734 8.734 8.250 0.484 18019 2198 1 18 . 1 1 3 3 GLY N N 3 106.623 106.623 107.482 -0.859 18019 2199 1 18 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.041 2.382 18019 2200 1 18 . 1 1 3 3 GLY H H 3 9.036 9.036 8.121 0.915 18019 2201 1 18 . 1 1 4 4 HIS N N 4 126.621 126.621 116.456 10.165 18019 2202 1 18 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.497 -0.168 18019 2203 1 18 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.800 -0.383 18019 2204 1 18 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.954 -3.042 18019 2205 1 18 . 1 1 4 4 HIS H H 4 9.430 9.430 7.533 1.897 18019 2206 1 18 . 1 1 5 5 LEU N N 5 121.401 121.401 119.527 1.874 18019 2207 1 18 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.118 -0.368 18019 2208 1 18 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.732 0.815 18019 2209 1 18 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.316 -0.861 18019 2210 1 18 . 1 1 5 5 LEU H H 5 8.382 8.382 8.299 0.083 18019 2211 1 18 . 1 1 6 6 HIS N N 6 116.370 116.370 113.426 2.944 18019 2212 1 18 . 1 1 6 6 HIS HA H 6 3.952 3.952 4.974 -1.022 18019 2213 1 18 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.316 4.213 18019 2214 1 18 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.503 -1.705 18019 2215 1 18 . 1 1 6 6 HIS H H 6 9.611 9.611 8.050 1.561 18019 2216 1 18 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.962 -0.008 18019 2217 1 18 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.160 1.186 18019 2218 1 18 . 1 1 7 7 ASP H H 7 8.793 8.793 7.450 1.343 18019 2219 1 18 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.468 0.462 18019 2220 1 18 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.711 -0.329 18019 2221 1 18 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.812 0.234 18019 2222 1 18 . 1 1 9 9 CYS N N 9 116.579 116.579 114.804 1.775 18019 2223 1 18 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.237 -0.031 18019 2224 1 18 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.274 -1.724 18019 2225 1 18 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.721 16.328 18019 2226 1 18 . 1 1 9 9 CYS H H 9 8.235 8.235 8.336 -0.101 18019 2227 1 18 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.316 0.082 18019 2228 1 18 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.500 0.217 18019 2229 1 18 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.096 -0.215 18019 2230 1 18 . 1 1 11 11 ASN N N 11 116.436 116.436 117.597 -1.161 18019 2231 1 18 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.724 0.210 18019 2232 1 18 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.677 -0.294 18019 2233 1 18 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.093 0.876 18019 2234 1 18 . 1 1 11 11 ASN H H 11 8.901 8.901 8.192 0.709 18019 2235 1 18 . 1 1 12 12 ASP N N 12 121.980 121.980 121.262 0.718 18019 2236 1 18 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.449 0.561 18019 2237 1 18 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.796 0.489 18019 2238 1 18 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.166 3.800 18019 2239 1 18 . 1 1 12 12 ASP H H 12 7.045 7.045 7.533 -0.488 18019 2240 1 18 . 1 1 13 13 ARG N N 13 124.183 124.183 123.410 0.773 18019 2241 1 18 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.869 -0.032 18019 2242 1 18 . 1 1 13 13 ARG H H 13 8.214 8.214 7.811 0.403 18019 2243 1 18 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.372 -0.165 18019 2244 1 18 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.922 0.925 18019 2245 1 18 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.316 0.712 18019 2246 1 18 . 1 1 15 15 GLY N N 15 113.652 113.652 113.093 0.559 18019 2247 1 18 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.976 0.260 18019 2248 1 18 . 1 1 15 15 GLY H H 15 8.932 8.932 8.736 0.196 18019 2249 1 18 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.752 -0.113 18019 2250 1 18 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.849 -0.654 18019 2251 1 18 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.492 -2.205 18019 2252 1 18 . 1 1 16 16 HIS H H 16 8.764 8.764 7.865 0.899 18019 2253 1 18 . 1 1 17 17 ARG N N 17 123.881 123.881 124.854 -0.973 18019 2254 1 18 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.592 0.136 18019 2255 1 18 . 1 1 17 17 ARG H H 17 8.632 8.632 8.153 0.479 18019 2256 1 18 . 1 1 18 18 THR N N 18 114.176 114.176 110.706 3.470 18019 2257 1 18 . 1 1 18 18 THR HA H 18 4.496 4.496 4.293 0.203 18019 2258 1 18 . 1 1 18 18 THR CA C 18 62.491 62.491 61.883 0.608 18019 2259 1 18 . 1 1 18 18 THR H H 18 9.527 9.527 8.366 1.161 18019 2260 1 18 . 1 1 19 19 CYS N N 19 122.166 122.166 118.296 3.870 18019 2261 1 18 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.718 0.001 18019 2262 1 18 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.771 -3.277 18019 2263 1 18 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.952 9.260 18019 2264 1 18 . 1 1 19 19 CYS H H 19 8.132 8.132 7.558 0.574 18019 2265 1 18 . 1 1 20 20 CYS N N 20 123.615 123.615 121.597 2.018 18019 2266 1 18 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.520 -0.118 18019 2267 1 18 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.228 -4.927 18019 2268 1 18 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.596 10.084 18019 2269 1 18 . 1 1 20 20 CYS H H 20 10.015 10.015 8.683 1.332 18019 2270 1 18 . 1 1 21 21 ILE HA H 21 3.886 3.886 3.978 -0.092 18019 2271 1 18 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.459 0.246 18019 2272 1 18 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.739 -1.284 18019 2273 1 18 . 1 1 21 21 ILE H H 21 8.097 8.097 8.426 -0.329 18019 2274 1 18 . 1 1 22 22 GLY N N 22 114.980 114.980 115.109 -0.129 18019 2275 1 18 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.400 -0.978 18019 2276 1 18 . 1 1 22 22 GLY H H 22 8.717 8.717 8.685 0.032 18019 2277 1 18 . 1 1 23 23 LEU N N 23 120.903 120.903 118.477 2.426 18019 2278 1 18 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.058 -0.081 18019 2279 1 18 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.342 -0.088 18019 2280 1 18 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.294 -2.087 18019 2281 1 18 . 1 1 23 23 LEU H H 23 8.066 8.066 7.417 0.649 18019 2282 1 18 . 1 1 24 24 GLN N N 24 118.630 118.630 118.460 0.170 18019 2283 1 18 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.561 -0.029 18019 2284 1 18 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.615 -0.869 18019 2285 1 18 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.482 -1.039 18019 2286 1 18 . 1 1 24 24 GLN H H 24 9.483 9.483 9.004 0.479 18019 2287 1 18 . 1 1 25 25 CYS N N 25 125.114 125.114 125.250 -0.136 18019 2288 1 18 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.229 -0.495 18019 2289 1 18 . 1 1 25 25 CYS CB C 25 40.398 40.398 25.913 14.485 18019 2290 1 18 . 1 1 25 25 CYS H H 25 8.865 8.865 8.889 -0.024 18019 2291 1 18 . 1 1 26 26 ARG N N 26 133.389 133.389 127.819 5.570 18019 2292 1 18 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.483 -0.093 18019 2293 1 18 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.225 0.770 18019 2294 1 18 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.220 -0.707 18019 2295 1 18 . 1 1 26 26 ARG H H 26 9.517 9.517 9.199 0.318 18019 2296 1 18 . 1 1 27 27 TYR N N 27 122.855 122.855 118.784 4.071 18019 2297 1 18 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.208 -0.053 18019 2298 1 18 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.303 -0.383 18019 2299 1 18 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.113 0.337 18019 2300 1 18 . 1 1 27 27 TYR H H 27 8.949 8.949 8.766 0.183 18019 2301 1 18 . 1 1 28 28 GLY N N 28 102.916 102.916 102.961 -0.045 18019 2302 1 18 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.337 0.633 18019 2303 1 18 . 1 1 28 28 GLY H H 28 8.327 8.327 8.711 -0.384 18019 2304 1 18 . 1 1 29 29 LYS N N 29 122.470 122.470 118.174 4.296 18019 2305 1 18 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.696 0.386 18019 2306 1 18 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.838 -0.123 18019 2307 1 18 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.966 0.079 18019 2308 1 18 . 1 1 29 29 LYS H H 29 7.926 7.926 7.617 0.309 18019 2309 1 18 . 1 1 30 30 CYS N N 30 119.755 119.755 119.609 0.146 18019 2310 1 18 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.605 -0.760 18019 2311 1 18 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.418 -2.926 18019 2312 1 18 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.709 11.400 18019 2313 1 18 . 1 1 30 30 CYS H H 30 8.812 8.812 8.253 0.559 18019 2314 1 18 . 1 1 31 31 LEU N N 31 127.374 127.374 123.233 4.141 18019 2315 1 18 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.885 -0.052 18019 2316 1 18 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.256 1.736 18019 2317 1 18 . 1 1 31 31 LEU H H 31 9.161 9.161 9.144 0.017 18019 2318 1 18 . 1 1 32 32 VAL N N 32 119.330 119.330 119.820 -0.490 18019 2319 1 18 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.890 0.032 18019 2320 1 18 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.820 1.802 18019 2321 1 18 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.145 1.099 18019 2322 1 18 . 1 1 32 32 VAL H H 32 8.105 8.105 8.311 -0.206 18019 2323 1 19 . 1 1 2 2 CYS N N 2 117.089 117.089 116.989 0.100 18019 2324 1 19 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.771 0.097 18019 2325 1 19 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.701 -3.732 18019 2326 1 19 . 1 1 2 2 CYS H H 2 8.734 8.734 8.033 0.701 18019 2327 1 19 . 1 1 3 3 GLY N N 3 106.623 106.623 107.272 -0.649 18019 2328 1 19 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.163 2.260 18019 2329 1 19 . 1 1 3 3 GLY H H 3 9.036 9.036 8.179 0.857 18019 2330 1 19 . 1 1 4 4 HIS N N 4 126.621 126.621 116.589 10.032 18019 2331 1 19 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.507 -0.178 18019 2332 1 19 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.918 -0.501 18019 2333 1 19 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.993 -3.080 18019 2334 1 19 . 1 1 4 4 HIS H H 4 9.430 9.430 7.556 1.874 18019 2335 1 19 . 1 1 5 5 LEU N N 5 121.401 121.401 119.527 1.874 18019 2336 1 19 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.126 -0.376 18019 2337 1 19 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.763 0.784 18019 2338 1 19 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.321 -0.866 18019 2339 1 19 . 1 1 5 5 LEU H H 5 8.382 8.382 8.303 0.079 18019 2340 1 19 . 1 1 6 6 HIS N N 6 116.370 116.370 113.510 2.860 18019 2341 1 19 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.003 -1.051 18019 2342 1 19 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.273 4.256 18019 2343 1 19 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.534 -1.736 18019 2344 1 19 . 1 1 6 6 HIS H H 6 9.611 9.611 8.038 1.573 18019 2345 1 19 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.964 -0.010 18019 2346 1 19 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.234 1.112 18019 2347 1 19 . 1 1 7 7 ASP H H 7 8.793 8.793 7.485 1.308 18019 2348 1 19 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.507 0.423 18019 2349 1 19 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.762 -0.380 18019 2350 1 19 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.541 0.505 18019 2351 1 19 . 1 1 9 9 CYS N N 9 116.579 116.579 115.940 0.639 18019 2352 1 19 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.277 -0.071 18019 2353 1 19 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.364 -1.814 18019 2354 1 19 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.977 16.073 18019 2355 1 19 . 1 1 9 9 CYS H H 9 8.235 8.235 8.488 -0.253 18019 2356 1 19 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.319 0.079 18019 2357 1 19 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.454 0.263 18019 2358 1 19 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.084 -0.203 18019 2359 1 19 . 1 1 11 11 ASN N N 11 116.436 116.436 117.550 -1.114 18019 2360 1 19 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.721 0.213 18019 2361 1 19 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.710 -0.327 18019 2362 1 19 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.121 0.848 18019 2363 1 19 . 1 1 11 11 ASN H H 11 8.901 8.901 8.204 0.697 18019 2364 1 19 . 1 1 12 12 ASP N N 12 121.980 121.980 121.239 0.741 18019 2365 1 19 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.453 0.557 18019 2366 1 19 . 1 1 12 12 ASP CA C 12 55.285 55.285 55.031 0.254 18019 2367 1 19 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.160 3.805 18019 2368 1 19 . 1 1 12 12 ASP H H 12 7.045 7.045 7.516 -0.471 18019 2369 1 19 . 1 1 13 13 ARG N N 13 124.183 124.183 125.102 -0.919 18019 2370 1 19 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.819 0.018 18019 2371 1 19 . 1 1 13 13 ARG H H 13 8.214 8.214 7.806 0.408 18019 2372 1 19 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.346 -0.139 18019 2373 1 19 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.758 1.089 18019 2374 1 19 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.228 0.800 18019 2375 1 19 . 1 1 15 15 GLY N N 15 113.652 113.652 112.998 0.654 18019 2376 1 19 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.888 0.348 18019 2377 1 19 . 1 1 15 15 GLY H H 15 8.932 8.932 8.644 0.288 18019 2378 1 19 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.730 -0.091 18019 2379 1 19 . 1 1 16 16 HIS CA C 16 55.195 55.195 55.847 -0.652 18019 2380 1 19 . 1 1 16 16 HIS CB C 16 28.287 28.287 31.164 -2.877 18019 2381 1 19 . 1 1 16 16 HIS H H 16 8.764 8.764 7.881 0.883 18019 2382 1 19 . 1 1 17 17 ARG N N 17 123.881 123.881 123.252 0.629 18019 2383 1 19 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.658 0.070 18019 2384 1 19 . 1 1 17 17 ARG H H 17 8.632 8.632 8.239 0.393 18019 2385 1 19 . 1 1 18 18 THR N N 18 114.176 114.176 110.773 3.403 18019 2386 1 19 . 1 1 18 18 THR HA H 18 4.496 4.496 4.444 0.052 18019 2387 1 19 . 1 1 18 18 THR CA C 18 62.491 62.491 62.036 0.455 18019 2388 1 19 . 1 1 18 18 THR H H 18 9.527 9.527 8.452 1.075 18019 2389 1 19 . 1 1 19 19 CYS N N 19 122.166 122.166 118.331 3.835 18019 2390 1 19 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.768 -0.049 18019 2391 1 19 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.856 -3.362 18019 2392 1 19 . 1 1 19 19 CYS CB C 19 38.212 38.212 29.110 9.102 18019 2393 1 19 . 1 1 19 19 CYS H H 19 8.132 8.132 7.661 0.471 18019 2394 1 19 . 1 1 20 20 CYS N N 20 123.615 123.615 121.057 2.558 18019 2395 1 19 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.533 -0.131 18019 2396 1 19 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.257 -4.956 18019 2397 1 19 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.881 9.799 18019 2398 1 19 . 1 1 20 20 CYS H H 20 10.015 10.015 8.672 1.343 18019 2399 1 19 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.020 -0.134 18019 2400 1 19 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.294 -0.589 18019 2401 1 19 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.575 -1.120 18019 2402 1 19 . 1 1 21 21 ILE H H 21 8.097 8.097 8.773 -0.676 18019 2403 1 19 . 1 1 22 22 GLY N N 22 114.980 114.980 115.233 -0.253 18019 2404 1 19 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.142 -0.720 18019 2405 1 19 . 1 1 22 22 GLY H H 22 8.717 8.717 8.549 0.168 18019 2406 1 19 . 1 1 23 23 LEU N N 23 120.903 120.903 118.379 2.524 18019 2407 1 19 . 1 1 23 23 LEU HA H 23 4.977 4.977 4.979 -0.002 18019 2408 1 19 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.460 -0.206 18019 2409 1 19 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.377 -2.170 18019 2410 1 19 . 1 1 23 23 LEU H H 23 8.066 8.066 7.478 0.588 18019 2411 1 19 . 1 1 24 24 GLN N N 24 118.630 118.630 118.246 0.384 18019 2412 1 19 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.584 -0.052 18019 2413 1 19 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.665 -0.919 18019 2414 1 19 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.454 -1.011 18019 2415 1 19 . 1 1 24 24 GLN H H 24 9.483 9.483 8.842 0.641 18019 2416 1 19 . 1 1 25 25 CYS N N 25 125.114 125.114 125.572 -0.458 18019 2417 1 19 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.244 -0.510 18019 2418 1 19 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.036 14.362 18019 2419 1 19 . 1 1 25 25 CYS H H 25 8.865 8.865 8.871 -0.006 18019 2420 1 19 . 1 1 26 26 ARG N N 26 133.389 133.389 127.226 6.163 18019 2421 1 19 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.489 -0.099 18019 2422 1 19 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.169 0.826 18019 2423 1 19 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.415 -0.902 18019 2424 1 19 . 1 1 26 26 ARG H H 26 9.517 9.517 9.180 0.337 18019 2425 1 19 . 1 1 27 27 TYR N N 27 122.855 122.855 118.865 3.990 18019 2426 1 19 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.192 -0.037 18019 2427 1 19 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.182 -0.262 18019 2428 1 19 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.378 0.072 18019 2429 1 19 . 1 1 27 27 TYR H H 27 8.949 8.949 8.834 0.115 18019 2430 1 19 . 1 1 28 28 GLY N N 28 102.916 102.916 103.400 -0.484 18019 2431 1 19 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.443 0.527 18019 2432 1 19 . 1 1 28 28 GLY H H 28 8.327 8.327 8.734 -0.407 18019 2433 1 19 . 1 1 29 29 LYS N N 29 122.470 122.470 118.216 4.254 18019 2434 1 19 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.701 0.381 18019 2435 1 19 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.892 -0.177 18019 2436 1 19 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.989 0.056 18019 2437 1 19 . 1 1 29 29 LYS H H 29 7.926 7.926 7.615 0.311 18019 2438 1 19 . 1 1 30 30 CYS N N 30 119.755 119.755 119.902 -0.147 18019 2439 1 19 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.577 -0.732 18019 2440 1 19 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.518 -3.026 18019 2441 1 19 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.589 11.520 18019 2442 1 19 . 1 1 30 30 CYS H H 30 8.812 8.812 8.277 0.535 18019 2443 1 19 . 1 1 31 31 LEU N N 31 127.374 127.374 123.358 4.016 18019 2444 1 19 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.886 -0.053 18019 2445 1 19 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.518 1.474 18019 2446 1 19 . 1 1 31 31 LEU H H 31 9.161 9.161 9.147 0.014 18019 2447 1 19 . 1 1 32 32 VAL N N 32 119.330 119.330 119.740 -0.410 18019 2448 1 19 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.923 -0.001 18019 2449 1 19 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.263 2.359 18019 2450 1 19 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.155 0.089 18019 2451 1 19 . 1 1 32 32 VAL H H 32 8.105 8.105 8.316 -0.211 18019 2452 1 20 . 1 1 2 2 CYS N N 2 117.089 117.089 117.212 -0.123 18019 2453 1 20 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.774 0.094 18019 2454 1 20 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.579 -3.610 18019 2455 1 20 . 1 1 2 2 CYS H H 2 8.734 8.734 8.482 0.252 18019 2456 1 20 . 1 1 3 3 GLY N N 3 106.623 106.623 107.402 -0.779 18019 2457 1 20 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.152 2.271 18019 2458 1 20 . 1 1 3 3 GLY H H 3 9.036 9.036 8.243 0.793 18019 2459 1 20 . 1 1 4 4 HIS N N 4 126.621 126.621 116.579 10.042 18019 2460 1 20 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.500 -0.171 18019 2461 1 20 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.911 -0.494 18019 2462 1 20 . 1 1 4 4 HIS CB C 4 28.913 28.913 31.979 -3.066 18019 2463 1 20 . 1 1 4 4 HIS H H 4 9.430 9.430 7.540 1.890 18019 2464 1 20 . 1 1 5 5 LEU N N 5 121.401 121.401 119.509 1.892 18019 2465 1 20 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.120 -0.370 18019 2466 1 20 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.740 0.807 18019 2467 1 20 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.332 -0.877 18019 2468 1 20 . 1 1 5 5 LEU H H 5 8.382 8.382 8.296 0.086 18019 2469 1 20 . 1 1 6 6 HIS N N 6 116.370 116.370 113.018 3.352 18019 2470 1 20 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.008 -1.056 18019 2471 1 20 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.594 3.935 18019 2472 1 20 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.423 -1.625 18019 2473 1 20 . 1 1 6 6 HIS H H 6 9.611 9.611 8.141 1.470 18019 2474 1 20 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.895 0.059 18019 2475 1 20 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.139 1.207 18019 2476 1 20 . 1 1 7 7 ASP H H 7 8.793 8.793 7.276 1.517 18019 2477 1 20 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.469 0.461 18019 2478 1 20 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.718 -0.336 18019 2479 1 20 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.713 0.333 18019 2480 1 20 . 1 1 9 9 CYS N N 9 116.579 116.579 115.761 0.818 18019 2481 1 20 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.261 -0.055 18019 2482 1 20 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.158 -1.608 18019 2483 1 20 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.681 16.368 18019 2484 1 20 . 1 1 9 9 CYS H H 9 8.235 8.235 8.312 -0.077 18019 2485 1 20 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.322 0.076 18019 2486 1 20 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.509 0.208 18019 2487 1 20 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.084 -0.203 18019 2488 1 20 . 1 1 11 11 ASN N N 11 116.436 116.436 117.554 -1.118 18019 2489 1 20 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.739 0.195 18019 2490 1 20 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.682 -0.299 18019 2491 1 20 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.023 0.946 18019 2492 1 20 . 1 1 11 11 ASN H H 11 8.901 8.901 8.213 0.688 18019 2493 1 20 . 1 1 12 12 ASP N N 12 121.980 121.980 121.209 0.771 18019 2494 1 20 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.422 0.588 18019 2495 1 20 . 1 1 12 12 ASP CA C 12 55.285 55.285 55.039 0.246 18019 2496 1 20 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.229 3.736 18019 2497 1 20 . 1 1 12 12 ASP H H 12 7.045 7.045 7.508 -0.463 18019 2498 1 20 . 1 1 13 13 ARG N N 13 124.183 124.183 125.014 -0.831 18019 2499 1 20 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.812 0.025 18019 2500 1 20 . 1 1 13 13 ARG H H 13 8.214 8.214 7.774 0.440 18019 2501 1 20 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.368 -0.161 18019 2502 1 20 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.783 1.065 18019 2503 1 20 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.260 0.768 18019 2504 1 20 . 1 1 15 15 GLY N N 15 113.652 113.652 113.113 0.539 18019 2505 1 20 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.952 0.284 18019 2506 1 20 . 1 1 15 15 GLY H H 15 8.932 8.932 8.747 0.185 18019 2507 1 20 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.739 -0.100 18019 2508 1 20 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.115 -0.920 18019 2509 1 20 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.622 -2.335 18019 2510 1 20 . 1 1 16 16 HIS H H 16 8.764 8.764 7.855 0.909 18019 2511 1 20 . 1 1 17 17 ARG N N 17 123.881 123.881 124.608 -0.727 18019 2512 1 20 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.588 0.140 18019 2513 1 20 . 1 1 17 17 ARG H H 17 8.632 8.632 8.118 0.514 18019 2514 1 20 . 1 1 18 18 THR N N 18 114.176 114.176 110.731 3.445 18019 2515 1 20 . 1 1 18 18 THR HA H 18 4.496 4.496 4.332 0.164 18019 2516 1 20 . 1 1 18 18 THR CA C 18 62.491 62.491 61.948 0.543 18019 2517 1 20 . 1 1 18 18 THR H H 18 9.527 9.527 8.378 1.149 18019 2518 1 20 . 1 1 19 19 CYS N N 19 122.166 122.166 118.285 3.881 18019 2519 1 20 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.730 -0.011 18019 2520 1 20 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.810 -3.316 18019 2521 1 20 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.912 9.300 18019 2522 1 20 . 1 1 19 19 CYS H H 19 8.132 8.132 7.568 0.564 18019 2523 1 20 . 1 1 20 20 CYS N N 20 123.615 123.615 121.471 2.144 18019 2524 1 20 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.490 -0.088 18019 2525 1 20 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.413 -5.112 18019 2526 1 20 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.745 9.934 18019 2527 1 20 . 1 1 20 20 CYS H H 20 10.015 10.015 8.669 1.346 18019 2528 1 20 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.018 -0.132 18019 2529 1 20 . 1 1 21 21 ILE CA C 21 62.705 62.705 63.316 -0.611 18019 2530 1 20 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.632 -1.177 18019 2531 1 20 . 1 1 21 21 ILE H H 21 8.097 8.097 8.737 -0.640 18019 2532 1 20 . 1 1 22 22 GLY N N 22 114.980 114.980 115.059 -0.079 18019 2533 1 20 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.178 -0.756 18019 2534 1 20 . 1 1 22 22 GLY H H 22 8.717 8.717 8.545 0.172 18019 2535 1 20 . 1 1 23 23 LEU N N 23 120.903 120.903 118.178 2.725 18019 2536 1 20 . 1 1 23 23 LEU HA H 23 4.977 4.977 4.999 -0.022 18019 2537 1 20 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.368 -0.114 18019 2538 1 20 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.261 -2.054 18019 2539 1 20 . 1 1 23 23 LEU H H 23 8.066 8.066 7.453 0.613 18019 2540 1 20 . 1 1 24 24 GLN N N 24 118.630 118.630 117.616 1.014 18019 2541 1 20 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.580 -0.048 18019 2542 1 20 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.632 -0.886 18019 2543 1 20 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.316 -0.873 18019 2544 1 20 . 1 1 24 24 GLN H H 24 9.483 9.483 8.762 0.721 18019 2545 1 20 . 1 1 25 25 CYS N N 25 125.114 125.114 125.323 -0.209 18019 2546 1 20 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.293 -0.559 18019 2547 1 20 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.246 14.152 18019 2548 1 20 . 1 1 25 25 CYS H H 25 8.865 8.865 8.871 -0.006 18019 2549 1 20 . 1 1 26 26 ARG N N 26 133.389 133.389 127.961 5.428 18019 2550 1 20 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.481 -0.091 18019 2551 1 20 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.557 0.438 18019 2552 1 20 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.735 -1.222 18019 2553 1 20 . 1 1 26 26 ARG H H 26 9.517 9.517 9.217 0.300 18019 2554 1 20 . 1 1 27 27 TYR N N 27 122.855 122.855 119.054 3.801 18019 2555 1 20 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.246 -0.091 18019 2556 1 20 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.435 -0.515 18019 2557 1 20 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.350 0.100 18019 2558 1 20 . 1 1 27 27 TYR H H 27 8.949 8.949 8.498 0.451 18019 2559 1 20 . 1 1 28 28 GLY N N 28 102.916 102.916 103.405 -0.489 18019 2560 1 20 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.296 0.674 18019 2561 1 20 . 1 1 28 28 GLY H H 28 8.327 8.327 8.734 -0.407 18019 2562 1 20 . 1 1 29 29 LYS N N 29 122.470 122.470 118.224 4.246 18019 2563 1 20 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.693 0.389 18019 2564 1 20 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.820 -0.105 18019 2565 1 20 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.969 0.076 18019 2566 1 20 . 1 1 29 29 LYS H H 29 7.926 7.926 7.621 0.305 18019 2567 1 20 . 1 1 30 30 CYS N N 30 119.755 119.755 119.703 0.052 18019 2568 1 20 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.597 -0.752 18019 2569 1 20 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.482 -2.990 18019 2570 1 20 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.628 11.480 18019 2571 1 20 . 1 1 30 30 CYS H H 30 8.812 8.812 8.268 0.544 18019 2572 1 20 . 1 1 31 31 LEU N N 31 127.374 127.374 123.336 4.038 18019 2573 1 20 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.882 -0.049 18019 2574 1 20 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.528 1.464 18019 2575 1 20 . 1 1 31 31 LEU H H 31 9.161 9.161 9.146 0.015 18019 2576 1 20 . 1 1 32 32 VAL N N 32 119.330 119.330 120.067 -0.737 18019 2577 1 20 . 1 1 32 32 VAL HA H 32 3.922 3.922 3.983 -0.061 18019 2578 1 20 . 1 1 32 32 VAL CA C 32 64.622 64.622 62.117 2.505 18019 2579 1 20 . 1 1 32 32 VAL CB C 32 32.244 32.244 32.067 0.177 18019 2580 1 20 . 1 1 32 32 VAL H H 32 8.105 8.105 8.292 -0.187 18019 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 25 3.110 -1.821 2.573 18019 2 1 1 "Average Difference" HA 35 0.354 0.018 0.359 18019 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18019 4 1 1 "Average Difference" CA 27 1.914 0.289 1.928 18019 5 1 1 "Average Difference" CB 22 6.146 -2.515 5.739 18019 6 1 1 "Average Difference" HN 28 0.761 -0.471 0.609 18019 7 1 2 "Average Difference" N 25 3.094 -1.846 2.534 18019 8 1 2 "Average Difference" HA 35 0.352 0.020 0.356 18019 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18019 10 1 2 "Average Difference" CA 27 1.871 0.270 1.887 18019 11 1 2 "Average Difference" CB 22 6.113 -2.509 5.706 18019 12 1 2 "Average Difference" HN 28 0.755 -0.454 0.615 18019 13 1 3 "Average Difference" N 25 3.084 -1.856 2.514 18019 14 1 3 "Average Difference" HA 35 0.359 0.026 0.364 18019 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18019 16 1 3 "Average Difference" CA 27 1.940 0.242 1.962 18019 17 1 3 "Average Difference" CB 22 6.142 -2.471 5.755 18019 18 1 3 "Average Difference" HN 28 0.739 -0.445 0.601 18019 19 1 4 "Average Difference" N 25 3.126 -1.889 2.543 18019 20 1 4 "Average Difference" HA 35 0.361 0.026 0.366 18019 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18019 22 1 4 "Average Difference" CA 27 1.990 0.212 2.016 18019 23 1 4 "Average Difference" CB 22 6.134 -2.507 5.730 18019 24 1 4 "Average Difference" HN 28 0.774 -0.477 0.621 18019 25 1 5 "Average Difference" N 25 3.123 -1.830 2.583 18019 26 1 5 "Average Difference" HA 35 0.357 0.022 0.361 18019 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18019 28 1 5 "Average Difference" CA 27 1.889 0.208 1.913 18019 29 1 5 "Average Difference" CB 22 6.144 -2.528 5.732 18019 30 1 5 "Average Difference" HN 28 0.774 -0.490 0.610 18019 31 1 6 "Average Difference" N 25 3.083 -1.794 2.559 18019 32 1 6 "Average Difference" HA 35 0.355 0.016 0.359 18019 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18019 34 1 6 "Average Difference" CA 27 1.926 0.229 1.949 18019 35 1 6 "Average Difference" CB 22 6.161 -2.493 5.767 18019 36 1 6 "Average Difference" HN 28 0.778 -0.480 0.624 18019 37 1 7 "Average Difference" N 25 3.081 -1.719 2.610 18019 38 1 7 "Average Difference" HA 35 0.351 0.028 0.355 18019 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18019 40 1 7 "Average Difference" CA 27 1.995 0.212 2.022 18019 41 1 7 "Average Difference" CB 22 6.084 -2.532 5.662 18019 42 1 7 "Average Difference" HN 28 0.756 -0.462 0.609 18019 43 1 8 "Average Difference" N 25 3.120 -1.838 2.573 18019 44 1 8 "Average Difference" HA 35 0.353 0.019 0.357 18019 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18019 46 1 8 "Average Difference" CA 27 1.944 0.214 1.969 18019 47 1 8 "Average Difference" CB 22 6.097 -2.523 5.681 18019 48 1 8 "Average Difference" HN 28 0.752 -0.456 0.608 18019 49 1 9 "Average Difference" N 25 3.070 -1.862 2.491 18019 50 1 9 "Average Difference" HA 35 0.359 0.025 0.364 18019 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18019 52 1 9 "Average Difference" CA 27 1.946 0.253 1.966 18019 53 1 9 "Average Difference" CB 22 6.137 -2.487 5.743 18019 54 1 9 "Average Difference" HN 28 0.764 -0.475 0.609 18019 55 1 10 "Average Difference" N 25 3.093 -1.833 2.542 18019 56 1 10 "Average Difference" HA 35 0.355 0.029 0.359 18019 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18019 58 1 10 "Average Difference" CA 27 1.975 0.233 1.998 18019 59 1 10 "Average Difference" CB 22 6.088 -2.479 5.691 18019 60 1 10 "Average Difference" HN 28 0.743 -0.452 0.601 18019 61 1 11 "Average Difference" N 25 3.177 -1.869 2.623 18019 62 1 11 "Average Difference" HA 35 0.357 0.029 0.361 18019 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18019 64 1 11 "Average Difference" CA 27 1.918 0.202 1.943 18019 65 1 11 "Average Difference" CB 22 6.094 -2.444 5.713 18019 66 1 11 "Average Difference" HN 28 0.757 -0.478 0.598 18019 67 1 12 "Average Difference" N 25 3.167 -1.907 2.580 18019 68 1 12 "Average Difference" HA 35 0.363 0.031 0.367 18019 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18019 70 1 12 "Average Difference" CA 27 1.946 0.218 1.971 18019 71 1 12 "Average Difference" CB 22 6.107 -2.439 5.731 18019 72 1 12 "Average Difference" HN 28 0.752 -0.465 0.602 18019 73 1 13 "Average Difference" N 25 3.189 -1.984 2.548 18019 74 1 13 "Average Difference" HA 35 0.353 0.032 0.356 18019 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18019 76 1 13 "Average Difference" CA 27 1.831 0.257 1.847 18019 77 1 13 "Average Difference" CB 22 6.121 -2.483 5.726 18019 78 1 13 "Average Difference" HN 28 0.777 -0.499 0.607 18019 79 1 14 "Average Difference" N 25 3.075 -1.730 2.594 18019 80 1 14 "Average Difference" HA 35 0.348 0.009 0.353 18019 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18019 82 1 14 "Average Difference" CA 27 1.947 0.237 1.969 18019 83 1 14 "Average Difference" CB 22 6.109 -2.539 5.687 18019 84 1 14 "Average Difference" HN 28 0.764 -0.471 0.613 18019 85 1 15 "Average Difference" N 25 3.093 -1.827 2.548 18019 86 1 15 "Average Difference" HA 35 0.355 0.015 0.360 18019 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18019 88 1 15 "Average Difference" CA 27 1.906 0.270 1.923 18019 89 1 15 "Average Difference" CB 22 6.174 -2.540 5.759 18019 90 1 15 "Average Difference" HN 28 0.765 -0.487 0.600 18019 91 1 16 "Average Difference" N 25 3.171 -1.888 2.600 18019 92 1 16 "Average Difference" HA 35 0.335 0.015 0.339 18019 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18019 94 1 16 "Average Difference" CA 27 1.959 0.217 1.984 18019 95 1 16 "Average Difference" CB 22 6.113 -2.566 5.679 18019 96 1 16 "Average Difference" HN 28 0.767 -0.480 0.609 18019 97 1 17 "Average Difference" N 25 3.163 -1.871 2.604 18019 98 1 17 "Average Difference" HA 35 0.329 0.018 0.333 18019 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18019 100 1 17 "Average Difference" CA 27 1.851 0.248 1.870 18019 101 1 17 "Average Difference" CB 22 6.120 -2.568 5.686 18019 102 1 17 "Average Difference" HN 28 0.756 -0.471 0.602 18019 103 1 18 "Average Difference" N 25 3.125 -1.838 2.580 18019 104 1 18 "Average Difference" HA 35 0.337 0.014 0.342 18019 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18019 106 1 18 "Average Difference" CA 27 1.864 0.224 1.886 18019 107 1 18 "Average Difference" CB 22 6.176 -2.604 5.733 18019 108 1 18 "Average Difference" HN 28 0.752 -0.466 0.601 18019 109 1 19 "Average Difference" N 25 3.129 -1.769 2.635 18019 110 1 19 "Average Difference" HA 35 0.349 0.006 0.354 18019 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18019 112 1 19 "Average Difference" CA 27 1.908 0.263 1.926 18019 113 1 19 "Average Difference" CB 22 6.119 -2.479 5.726 18019 114 1 19 "Average Difference" HN 28 0.757 -0.451 0.618 18019 115 1 20 "Average Difference" N 25 3.094 -1.724 2.623 18019 116 1 20 "Average Difference" HA 35 0.352 0.004 0.357 18019 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18019 118 1 20 "Average Difference" CA 27 1.888 0.277 1.904 18019 119 1 20 "Average Difference" CB 22 6.139 -2.518 5.730 18019 120 1 20 "Average Difference" HN 28 0.766 -0.469 0.616 18019 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 18019 _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 CYS N N 2 117.089 117.089 116.228 0.861 18019 2 1 . 1 1 2 2 CYS HA H 2 4.868 4.868 4.788 0.080 18019 3 1 . 1 1 2 2 CYS CA C 2 53.969 53.969 57.744 -3.775 18019 4 1 . 1 1 2 2 CYS H H 2 8.734 8.734 8.132 0.602 18019 5 1 . 1 1 3 3 GLY N N 3 106.623 106.623 107.436 -0.813 18019 6 1 . 1 1 3 3 GLY CA C 3 46.423 46.423 44.071 2.352 18019 7 1 . 1 1 3 3 GLY H H 3 9.036 9.036 8.190 0.846 18019 8 1 . 1 1 4 4 HIS N N 4 126.621 126.621 116.436 10.185 18019 9 1 . 1 1 4 4 HIS HA H 4 4.329 4.329 4.501 -0.172 18019 10 1 . 1 1 4 4 HIS CA C 4 54.417 54.417 54.813 -0.396 18019 11 1 . 1 1 4 4 HIS CB C 4 28.913 28.913 32.004 -3.091 18019 12 1 . 1 1 4 4 HIS H H 4 9.430 9.430 7.563 1.867 18019 13 1 . 1 1 5 5 LEU N N 5 121.401 121.401 119.457 1.944 18019 14 1 . 1 1 5 5 LEU HA H 5 3.750 3.750 4.124 -0.374 18019 15 1 . 1 1 5 5 LEU CA C 5 57.547 57.547 56.716 0.831 18019 16 1 . 1 1 5 5 LEU CB C 5 41.455 41.455 42.363 -0.908 18019 17 1 . 1 1 5 5 LEU H H 5 8.382 8.382 8.303 0.079 18019 18 1 . 1 1 6 6 HIS N N 6 116.370 116.370 113.149 3.221 18019 19 1 . 1 1 6 6 HIS HA H 6 3.952 3.952 5.004 -1.052 18019 20 1 . 1 1 6 6 HIS CA C 6 58.529 58.529 54.483 4.046 18019 21 1 . 1 1 6 6 HIS CB C 6 26.798 26.798 28.459 -1.661 18019 22 1 . 1 1 6 6 HIS H H 6 9.611 9.611 8.105 1.506 18019 23 1 . 1 1 7 7 ASP HA H 7 4.954 4.954 4.948 0.005 18019 24 1 . 1 1 7 7 ASP CA C 7 53.346 53.346 52.162 1.184 18019 25 1 . 1 1 7 7 ASP H H 7 8.793 8.793 7.380 1.413 18019 26 1 . 1 1 8 8 PRO HA H 8 4.930 4.930 4.489 0.441 18019 27 1 . 1 1 8 8 PRO CA C 8 62.382 62.382 62.722 -0.340 18019 28 1 . 1 1 8 8 PRO CB C 8 33.046 33.046 32.707 0.339 18019 29 1 . 1 1 9 9 CYS N N 9 116.579 116.579 115.016 1.563 18019 30 1 . 1 1 9 9 CYS HA H 9 5.206 5.206 5.246 -0.040 18019 31 1 . 1 1 9 9 CYS CA C 9 54.550 54.550 56.362 -1.812 18019 32 1 . 1 1 9 9 CYS CB C 9 43.049 43.049 26.885 16.164 18019 33 1 . 1 1 9 9 CYS H H 9 8.235 8.235 8.391 -0.156 18019 34 1 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.326 0.072 18019 35 1 . 1 1 10 10 PRO CA C 10 64.717 64.717 64.469 0.248 18019 36 1 . 1 1 10 10 PRO CB C 10 31.881 31.881 32.083 -0.202 18019 37 1 . 1 1 11 11 ASN N N 11 116.436 116.436 117.782 -1.346 18019 38 1 . 1 1 11 11 ASN HA H 11 4.934 4.934 4.741 0.193 18019 39 1 . 1 1 11 11 ASN CA C 11 52.383 52.383 52.681 -0.298 18019 40 1 . 1 1 11 11 ASN CB C 11 38.969 38.969 38.094 0.875 18019 41 1 . 1 1 11 11 ASN H H 11 8.901 8.901 8.215 0.686 18019 42 1 . 1 1 12 12 ASP N N 12 121.980 121.980 121.191 0.789 18019 43 1 . 1 1 12 12 ASP HA H 12 5.010 5.010 4.476 0.534 18019 44 1 . 1 1 12 12 ASP CA C 12 55.285 55.285 54.842 0.443 18019 45 1 . 1 1 12 12 ASP CB C 12 44.965 44.965 41.129 3.836 18019 46 1 . 1 1 12 12 ASP H H 12 7.045 7.045 7.544 -0.499 18019 47 1 . 1 1 13 13 ARG N N 13 124.183 124.183 123.856 0.327 18019 48 1 . 1 1 13 13 ARG HA H 13 4.837 4.837 4.860 -0.023 18019 49 1 . 1 1 13 13 ARG H H 13 8.214 8.214 7.827 0.387 18019 50 1 . 1 1 14 14 PRO HA H 14 4.207 4.207 4.367 -0.160 18019 51 1 . 1 1 14 14 PRO CA C 14 64.848 64.848 63.887 0.960 18019 52 1 . 1 1 14 14 PRO CB C 14 31.028 31.028 30.292 0.736 18019 53 1 . 1 1 15 15 GLY N N 15 113.652 113.652 113.069 0.583 18019 54 1 . 1 1 15 15 GLY CA C 15 45.236 45.236 44.929 0.307 18019 55 1 . 1 1 15 15 GLY H H 15 8.932 8.932 8.715 0.217 18019 56 1 . 1 1 16 16 HIS HA H 16 4.639 4.639 4.728 -0.089 18019 57 1 . 1 1 16 16 HIS CA C 16 55.195 55.195 56.084 -0.889 18019 58 1 . 1 1 16 16 HIS CB C 16 28.287 28.287 30.835 -2.548 18019 59 1 . 1 1 16 16 HIS H H 16 8.764 8.764 7.859 0.905 18019 60 1 . 1 1 17 17 ARG N N 17 123.881 123.881 124.448 -0.567 18019 61 1 . 1 1 17 17 ARG HA H 17 4.728 4.728 4.645 0.083 18019 62 1 . 1 1 17 17 ARG H H 17 8.632 8.632 8.225 0.407 18019 63 1 . 1 1 18 18 THR N N 18 114.176 114.176 111.182 2.994 18019 64 1 . 1 1 18 18 THR HA H 18 4.496 4.496 4.363 0.133 18019 65 1 . 1 1 18 18 THR CA C 18 62.491 62.491 61.831 0.660 18019 66 1 . 1 1 18 18 THR H H 18 9.527 9.527 8.394 1.133 18019 67 1 . 1 1 19 19 CYS N N 19 122.166 122.166 118.388 3.778 18019 68 1 . 1 1 19 19 CYS HA H 19 4.719 4.719 4.726 -0.007 18019 69 1 . 1 1 19 19 CYS CA C 19 55.494 55.494 58.663 -3.169 18019 70 1 . 1 1 19 19 CYS CB C 19 38.212 38.212 28.987 9.225 18019 71 1 . 1 1 19 19 CYS H H 19 8.132 8.132 7.590 0.542 18019 72 1 . 1 1 20 20 CYS N N 20 123.615 123.615 121.809 1.806 18019 73 1 . 1 1 20 20 CYS HA H 20 4.402 4.402 4.506 -0.104 18019 74 1 . 1 1 20 20 CYS CA C 20 54.301 54.301 59.324 -5.023 18019 75 1 . 1 1 20 20 CYS CB C 20 39.679 39.679 29.631 10.048 18019 76 1 . 1 1 20 20 CYS H H 20 10.015 10.015 8.696 1.319 18019 77 1 . 1 1 21 21 ILE HA H 21 3.886 3.886 4.012 -0.126 18019 78 1 . 1 1 21 21 ILE CA C 21 62.705 62.705 62.987 -0.282 18019 79 1 . 1 1 21 21 ILE CB C 21 37.455 37.455 38.670 -1.215 18019 80 1 . 1 1 21 21 ILE H H 21 8.097 8.097 8.608 -0.511 18019 81 1 . 1 1 22 22 GLY N N 22 114.980 114.980 114.977 0.003 18019 82 1 . 1 1 22 22 GLY CA C 22 44.422 44.422 45.266 -0.844 18019 83 1 . 1 1 22 22 GLY H H 22 8.717 8.717 8.564 0.153 18019 84 1 . 1 1 23 23 LEU N N 23 120.903 120.903 118.358 2.545 18019 85 1 . 1 1 23 23 LEU HA H 23 4.977 4.977 5.041 -0.064 18019 86 1 . 1 1 23 23 LEU CA C 23 53.254 53.254 53.312 -0.058 18019 87 1 . 1 1 23 23 LEU CB C 23 44.207 44.207 46.265 -2.058 18019 88 1 . 1 1 23 23 LEU H H 23 8.066 8.066 7.398 0.668 18019 89 1 . 1 1 24 24 GLN N N 24 118.630 118.630 117.797 0.833 18019 90 1 . 1 1 24 24 GLN HA H 24 4.532 4.532 4.606 -0.074 18019 91 1 . 1 1 24 24 GLN CA C 24 53.746 53.746 54.751 -1.005 18019 92 1 . 1 1 24 24 GLN CB C 24 32.443 32.443 33.356 -0.913 18019 93 1 . 1 1 24 24 GLN H H 24 9.483 9.483 8.818 0.665 18019 94 1 . 1 1 25 25 CYS N N 25 125.114 125.114 125.242 -0.128 18019 95 1 . 1 1 25 25 CYS HA H 25 4.734 4.734 5.294 -0.560 18019 96 1 . 1 1 25 25 CYS CB C 25 40.398 40.398 26.138 14.260 18019 97 1 . 1 1 25 25 CYS H H 25 8.865 8.865 8.879 -0.014 18019 98 1 . 1 1 26 26 ARG N N 26 133.389 133.389 127.823 5.566 18019 99 1 . 1 1 26 26 ARG HA H 26 4.390 4.390 4.476 -0.086 18019 100 1 . 1 1 26 26 ARG CA C 26 54.995 54.995 54.391 0.604 18019 101 1 . 1 1 26 26 ARG CB C 26 32.513 32.513 33.576 -1.063 18019 102 1 . 1 1 26 26 ARG H H 26 9.517 9.517 9.200 0.317 18019 103 1 . 1 1 27 27 TYR N N 27 122.855 122.855 118.978 3.877 18019 104 1 . 1 1 27 27 TYR HA H 27 4.155 4.155 4.229 -0.074 18019 105 1 . 1 1 27 27 TYR CA C 27 57.920 57.920 58.370 -0.450 18019 106 1 . 1 1 27 27 TYR CB C 27 35.450 35.450 35.296 0.154 18019 107 1 . 1 1 27 27 TYR H H 27 8.949 8.949 8.623 0.326 18019 108 1 . 1 1 28 28 GLY N N 28 102.916 102.916 103.268 -0.352 18019 109 1 . 1 1 28 28 GLY CA C 28 45.970 45.970 45.336 0.634 18019 110 1 . 1 1 28 28 GLY H H 28 8.327 8.327 8.730 -0.403 18019 111 1 . 1 1 29 29 LYS N N 29 122.470 122.470 118.207 4.263 18019 112 1 . 1 1 29 29 LYS HA H 29 5.082 5.082 4.699 0.383 18019 113 1 . 1 1 29 29 LYS CA C 29 54.715 54.715 54.865 -0.150 18019 114 1 . 1 1 29 29 LYS CB C 29 37.045 37.045 36.943 0.102 18019 115 1 . 1 1 29 29 LYS H H 29 7.926 7.926 7.619 0.307 18019 116 1 . 1 1 30 30 CYS N N 30 119.755 119.755 119.495 0.260 18019 117 1 . 1 1 30 30 CYS HA H 30 4.845 4.845 5.643 -0.798 18019 118 1 . 1 1 30 30 CYS CA C 30 54.492 54.492 57.468 -2.976 18019 119 1 . 1 1 30 30 CYS CB C 30 39.109 39.109 27.780 11.329 18019 120 1 . 1 1 30 30 CYS H H 30 8.812 8.812 8.262 0.550 18019 121 1 . 1 1 31 31 LEU N N 31 127.374 127.374 123.198 4.176 18019 122 1 . 1 1 31 31 LEU HA H 31 4.833 4.833 4.961 -0.128 18019 123 1 . 1 1 31 31 LEU CB C 31 45.992 45.992 44.425 1.567 18019 124 1 . 1 1 31 31 LEU H H 31 9.161 9.161 9.147 0.014 18019 125 1 . 1 1 32 32 VAL N N 32 119.330 119.330 119.832 -0.502 18019 126 1 . 1 1 32 32 VAL HA H 32 3.922 3.922 4.000 -0.078 18019 127 1 . 1 1 32 32 VAL CA C 32 64.622 64.622 61.869 2.753 18019 128 1 . 1 1 32 32 VAL CB C 32 32.244 32.244 31.971 0.273 18019 129 1 . 1 1 32 32 VAL H H 32 8.105 8.105 8.268 -0.163 18019 stop_ save_