data_25917 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 25917 _Entry.PDB_ID 2N9T 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 25917 _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 2 117.668 117.668 122.804 -5.136 25917 2 1 1 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.651 0.443 25917 3 1 1 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.362 -5.557 25917 4 1 1 . 1 1 2 2 CYS CB C 2 40.451 40.451 28.903 11.548 25917 5 1 1 . 1 1 2 2 CYS H H 2 8.171 8.171 8.676 -0.505 25917 6 1 1 . 1 1 3 3 GLN N N 3 117.434 117.434 126.320 -8.886 25917 7 1 1 . 1 1 3 3 GLN HA H 3 4.517 4.517 4.028 0.489 25917 8 1 1 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.553 -2.542 25917 9 1 1 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.878 0.091 25917 10 1 1 . 1 1 3 3 GLN H H 3 9.221 9.221 8.332 0.889 25917 11 1 1 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.127 -0.419 25917 12 1 1 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.294 -2.788 25917 13 1 1 . 1 1 4 4 LYS CB C 4 29.985 29.985 31.497 -1.512 25917 14 1 1 . 1 1 4 4 LYS H H 4 5.270 5.270 6.752 -1.482 25917 15 1 1 . 1 1 5 5 TRP N N 5 118.577 118.577 122.702 -4.125 25917 16 1 1 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.156 0.161 25917 17 1 1 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.016 -2.425 25917 18 1 1 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.763 -3.131 25917 19 1 1 . 1 1 5 5 TRP H H 5 7.941 7.941 8.045 -0.104 25917 20 1 1 . 1 1 6 6 MET N N 6 118.041 118.041 118.108 -0.067 25917 21 1 1 . 1 1 6 6 MET HA H 6 3.924 3.924 4.921 -0.997 25917 22 1 1 . 1 1 6 6 MET CA C 6 53.883 53.883 56.700 -2.817 25917 23 1 1 . 1 1 6 6 MET CB C 6 27.846 27.846 31.487 -3.641 25917 24 1 1 . 1 1 6 6 MET H H 6 9.139 9.139 8.715 0.424 25917 25 1 1 . 1 1 7 7 TRP N N 7 121.757 121.757 125.350 -3.593 25917 26 1 1 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.378 -0.303 25917 27 1 1 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.230 -3.117 25917 28 1 1 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.697 -6.778 25917 29 1 1 . 1 1 7 7 TRP H H 7 8.676 8.676 8.584 0.092 25917 30 1 1 . 1 1 8 8 THR N N 8 112.611 112.611 112.443 0.168 25917 31 1 1 . 1 1 8 8 THR HA H 8 4.576 4.576 4.592 -0.016 25917 32 1 1 . 1 1 8 8 THR CA C 8 60.134 60.134 61.390 -1.256 25917 33 1 1 . 1 1 8 8 THR CB C 8 67.139 67.139 70.286 -3.147 25917 34 1 1 . 1 1 8 8 THR H H 8 8.533 8.533 8.412 0.121 25917 35 1 1 . 1 1 9 9 CYS N N 9 116.041 116.041 122.448 -6.407 25917 36 1 1 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.793 0.405 25917 37 1 1 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.010 -6.095 25917 38 1 1 . 1 1 9 9 CYS CB C 9 45.428 45.428 29.424 16.005 25917 39 1 1 . 1 1 9 9 CYS H H 9 7.841 7.841 8.747 -0.906 25917 40 1 1 . 1 1 10 10 ASP N N 10 118.399 118.399 121.017 -2.618 25917 41 1 1 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.840 -0.407 25917 42 1 1 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.103 -1.881 25917 43 1 1 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.837 -6.821 25917 44 1 1 . 1 1 10 10 ASP H H 10 8.744 8.744 8.142 0.602 25917 45 1 1 . 1 1 11 11 SER N N 11 112.253 112.253 114.892 -2.639 25917 46 1 1 . 1 1 11 11 SER HA H 11 4.124 4.124 4.308 -0.184 25917 47 1 1 . 1 1 11 11 SER CA C 11 59.020 59.020 61.158 -2.138 25917 48 1 1 . 1 1 11 11 SER CB C 11 60.066 60.066 63.417 -3.351 25917 49 1 1 . 1 1 11 11 SER H H 11 8.424 8.424 8.530 -0.106 25917 50 1 1 . 1 1 12 12 GLU N N 12 124.186 124.186 119.696 4.490 25917 51 1 1 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.245 0.236 25917 52 1 1 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.767 -3.931 25917 53 1 1 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.812 -2.949 25917 54 1 1 . 1 1 12 12 GLU H H 12 8.239 8.239 8.261 -0.022 25917 55 1 1 . 1 1 13 13 ARG N N 13 116.195 116.195 120.044 -3.849 25917 56 1 1 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.240 0.317 25917 57 1 1 . 1 1 13 13 ARG CA C 13 51.992 51.992 56.457 -4.465 25917 58 1 1 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.998 -3.222 25917 59 1 1 . 1 1 13 13 ARG H H 13 8.194 8.194 8.345 -0.151 25917 60 1 1 . 1 1 14 14 LYS N N 14 121.150 121.150 124.347 -3.197 25917 61 1 1 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.583 -0.178 25917 62 1 1 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.978 -1.819 25917 63 1 1 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.621 -3.607 25917 64 1 1 . 1 1 14 14 LYS H H 14 7.969 7.969 8.254 -0.285 25917 65 1 1 . 1 1 15 15 CYS N N 15 119.435 119.435 123.070 -3.635 25917 66 1 1 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.719 0.218 25917 67 1 1 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.691 -5.598 25917 68 1 1 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.964 12.040 25917 69 1 1 . 1 1 15 15 CYS H H 15 9.162 9.162 8.684 0.478 25917 70 1 1 . 1 1 16 16 CYS N N 16 120.864 120.864 125.194 -4.330 25917 71 1 1 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.180 0.375 25917 72 1 1 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.457 -9.095 25917 73 1 1 . 1 1 16 16 CYS CB C 16 37.233 37.233 26.839 10.394 25917 74 1 1 . 1 1 16 16 CYS H H 16 9.123 9.123 8.724 0.399 25917 75 1 1 . 1 1 17 17 GLU N N 17 118.077 118.077 119.811 -1.734 25917 76 1 1 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.851 0.232 25917 77 1 1 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.327 -1.487 25917 78 1 1 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.956 -3.058 25917 79 1 1 . 1 1 17 17 GLU H H 17 8.305 8.305 8.871 -0.566 25917 80 1 1 . 1 1 18 18 GLY N N 18 111.182 111.182 106.417 4.765 25917 81 1 1 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.298 -3.286 25917 82 1 1 . 1 1 18 18 GLY H H 18 8.861 8.861 8.117 0.744 25917 83 1 1 . 1 1 19 19 MET N N 19 117.827 117.827 118.872 -1.045 25917 84 1 1 . 1 1 19 19 MET HA H 19 5.097 5.097 4.565 0.532 25917 85 1 1 . 1 1 19 19 MET CA C 19 51.128 51.128 54.454 -3.326 25917 86 1 1 . 1 1 19 19 MET CB C 19 34.904 34.904 35.123 -0.219 25917 87 1 1 . 1 1 19 19 MET H H 19 7.528 7.528 7.673 -0.145 25917 88 1 1 . 1 1 20 20 VAL N N 20 116.719 116.719 122.864 -6.145 25917 89 1 1 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.166 0.307 25917 90 1 1 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.355 -4.904 25917 91 1 1 . 1 1 20 20 VAL CB C 20 32.117 32.117 33.801 -1.684 25917 92 1 1 . 1 1 20 20 VAL H H 20 9.110 9.110 8.487 0.623 25917 93 1 1 . 1 1 21 21 CYS N N 21 122.699 122.699 128.273 -5.574 25917 94 1 1 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.743 0.065 25917 95 1 1 . 1 1 21 21 CYS CA C 21 52.509 52.509 58.740 -6.231 25917 96 1 1 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.041 11.037 25917 97 1 1 . 1 1 21 21 CYS H H 21 8.943 8.943 8.706 0.237 25917 98 1 1 . 1 1 22 22 ARG N N 22 134.904 134.904 126.996 7.908 25917 99 1 1 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.501 0.021 25917 100 1 1 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.310 -2.735 25917 101 1 1 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.519 2.273 25917 102 1 1 . 1 1 22 22 ARG H H 22 8.248 8.248 8.343 -0.095 25917 103 1 1 . 1 1 23 23 LEU N N 23 123.936 123.936 120.791 3.145 25917 104 1 1 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.946 -0.223 25917 105 1 1 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.663 2.099 25917 106 1 1 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.961 -4.618 25917 107 1 1 . 1 1 23 23 LEU H H 23 8.108 8.108 8.293 -0.185 25917 108 1 1 . 1 1 24 24 TRP N N 24 123.699 123.699 116.640 7.059 25917 109 1 1 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.199 0.120 25917 110 1 1 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.281 -1.648 25917 111 1 1 . 1 1 24 24 TRP CB C 24 29.503 29.503 31.994 -2.491 25917 112 1 1 . 1 1 24 24 TRP H H 24 8.115 8.115 7.801 0.314 25917 113 1 1 . 1 1 25 25 CYS N N 25 118.684 118.684 124.606 -5.922 25917 114 1 1 . 1 1 25 25 CYS HA H 25 4.915 4.915 4.999 -0.084 25917 115 1 1 . 1 1 25 25 CYS CA C 25 53.656 53.656 58.933 -5.277 25917 116 1 1 . 1 1 25 25 CYS CB C 25 37.264 37.264 26.655 10.609 25917 117 1 1 . 1 1 25 25 CYS H H 25 8.671 8.671 9.155 -0.484 25917 118 1 1 . 1 1 26 26 LYS N N 26 124.865 124.865 122.678 2.187 25917 119 1 1 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.728 0.245 25917 120 1 1 . 1 1 26 26 LYS CA C 26 52.104 52.104 54.340 -2.236 25917 121 1 1 . 1 1 26 26 LYS CB C 26 32.887 32.887 36.204 -3.317 25917 122 1 1 . 1 1 26 26 LYS H H 26 9.316 9.316 8.248 1.068 25917 123 1 1 . 1 1 27 27 LYS N N 27 119.792 119.792 120.441 -0.649 25917 124 1 1 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.377 -0.074 25917 125 1 1 . 1 1 27 27 LYS C C 27 54.469 54.469 176.115 -121.646 25917 126 1 1 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.117 -2.757 25917 127 1 1 . 1 1 27 27 LYS H H 27 8.461 8.461 8.069 0.392 25917 128 1 1 . 1 1 28 28 LYS N N 28 122.343 122.343 125.447 -3.104 25917 129 1 1 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.417 -0.311 25917 130 1 1 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.520 -2.637 25917 131 1 1 . 1 1 28 28 LYS CB C 28 30.390 30.390 31.305 -0.915 25917 132 1 1 . 1 1 28 28 LYS H H 28 8.157 8.157 8.579 -0.422 25917 133 1 1 . 1 1 29 29 LEU N N 29 118.006 118.006 121.519 -3.513 25917 134 1 1 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.242 0.078 25917 135 1 1 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.692 -3.558 25917 136 1 1 . 1 1 29 29 LEU CB C 29 26.262 26.262 41.485 -15.223 25917 137 1 1 . 1 1 29 29 LEU H H 29 8.290 8.290 8.630 -0.340 25917 138 1 2 . 1 1 2 2 CYS N N 2 117.668 117.668 119.249 -1.581 25917 139 1 2 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.420 0.674 25917 140 1 2 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.228 -6.423 25917 141 1 2 . 1 1 2 2 CYS CB C 2 40.451 40.451 30.286 10.165 25917 142 1 2 . 1 1 2 2 CYS H H 2 8.171 8.171 7.148 1.023 25917 143 1 2 . 1 1 3 3 GLN N N 3 117.434 117.434 121.313 -3.879 25917 144 1 2 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.099 1.418 25917 145 1 2 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.202 -2.191 25917 146 1 2 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.158 0.812 25917 147 1 2 . 1 1 3 3 GLN H H 3 9.221 9.221 8.452 0.769 25917 148 1 2 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.258 -0.550 25917 149 1 2 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.580 -3.074 25917 150 1 2 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.790 -2.805 25917 151 1 2 . 1 1 4 4 LYS H H 4 5.270 5.270 6.452 -1.182 25917 152 1 2 . 1 1 5 5 TRP N N 5 118.577 118.577 124.404 -5.827 25917 153 1 2 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.177 0.140 25917 154 1 2 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.033 -2.442 25917 155 1 2 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.838 -3.206 25917 156 1 2 . 1 1 5 5 TRP H H 5 7.941 7.941 8.048 -0.107 25917 157 1 2 . 1 1 6 6 MET N N 6 118.041 118.041 119.398 -1.357 25917 158 1 2 . 1 1 6 6 MET HA H 6 3.924 3.924 5.087 -1.163 25917 159 1 2 . 1 1 6 6 MET CA C 6 53.883 53.883 56.796 -2.913 25917 160 1 2 . 1 1 6 6 MET CB C 6 27.846 27.846 31.437 -3.591 25917 161 1 2 . 1 1 6 6 MET H H 6 9.139 9.139 8.112 1.027 25917 162 1 2 . 1 1 7 7 TRP N N 7 121.757 121.757 124.827 -3.070 25917 163 1 2 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.229 -0.154 25917 164 1 2 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.511 -3.398 25917 165 1 2 . 1 1 7 7 TRP CB C 7 26.919 26.919 32.886 -5.966 25917 166 1 2 . 1 1 7 7 TRP H H 7 8.676 8.676 8.295 0.381 25917 167 1 2 . 1 1 8 8 THR N N 8 112.611 112.611 112.304 0.307 25917 168 1 2 . 1 1 8 8 THR HA H 8 4.576 4.576 4.675 -0.099 25917 169 1 2 . 1 1 8 8 THR CA C 8 60.134 60.134 60.919 -0.785 25917 170 1 2 . 1 1 8 8 THR CB C 8 67.139 67.139 70.451 -3.312 25917 171 1 2 . 1 1 8 8 THR H H 8 8.533 8.533 8.477 0.056 25917 172 1 2 . 1 1 9 9 CYS N N 9 116.041 116.041 119.768 -3.727 25917 173 1 2 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.834 0.364 25917 174 1 2 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.876 -5.961 25917 175 1 2 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.618 14.810 25917 176 1 2 . 1 1 9 9 CYS H H 9 7.841 7.841 8.641 -0.800 25917 177 1 2 . 1 1 10 10 ASP N N 10 118.399 118.399 119.934 -1.535 25917 178 1 2 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.888 -0.455 25917 179 1 2 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.354 -2.132 25917 180 1 2 . 1 1 10 10 ASP CB C 10 37.016 37.016 44.981 -7.965 25917 181 1 2 . 1 1 10 10 ASP H H 10 8.744 8.744 8.554 0.190 25917 182 1 2 . 1 1 11 11 SER N N 11 112.253 112.253 115.220 -2.967 25917 183 1 2 . 1 1 11 11 SER HA H 11 4.124 4.124 4.204 -0.080 25917 184 1 2 . 1 1 11 11 SER CA C 11 59.020 59.020 60.913 -1.893 25917 185 1 2 . 1 1 11 11 SER CB C 11 60.066 60.066 63.546 -3.480 25917 186 1 2 . 1 1 11 11 SER H H 11 8.424 8.424 8.628 -0.204 25917 187 1 2 . 1 1 12 12 GLU N N 12 124.186 124.186 119.538 4.648 25917 188 1 2 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.272 0.209 25917 189 1 2 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.075 -3.239 25917 190 1 2 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.988 -3.125 25917 191 1 2 . 1 1 12 12 GLU H H 12 8.239 8.239 8.131 0.108 25917 192 1 2 . 1 1 13 13 ARG N N 13 116.195 116.195 121.885 -5.690 25917 193 1 2 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.243 0.314 25917 194 1 2 . 1 1 13 13 ARG CA C 13 51.992 51.992 56.074 -4.082 25917 195 1 2 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.647 -2.871 25917 196 1 2 . 1 1 13 13 ARG H H 13 8.194 8.194 8.220 -0.026 25917 197 1 2 . 1 1 14 14 LYS N N 14 121.150 121.150 124.776 -3.626 25917 198 1 2 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.620 -0.215 25917 199 1 2 . 1 1 14 14 LYS CA C 14 53.159 53.159 55.156 -1.997 25917 200 1 2 . 1 1 14 14 LYS CB C 14 31.014 31.014 35.254 -4.240 25917 201 1 2 . 1 1 14 14 LYS H H 14 7.969 7.969 8.136 -0.167 25917 202 1 2 . 1 1 15 15 CYS N N 15 119.435 119.435 120.672 -1.237 25917 203 1 2 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.575 0.362 25917 204 1 2 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.979 -5.886 25917 205 1 2 . 1 1 15 15 CYS CB C 15 38.004 38.004 26.361 11.643 25917 206 1 2 . 1 1 15 15 CYS H H 15 9.162 9.162 8.702 0.460 25917 207 1 2 . 1 1 16 16 CYS N N 16 120.864 120.864 124.833 -3.969 25917 208 1 2 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.248 0.307 25917 209 1 2 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.265 -8.903 25917 210 1 2 . 1 1 16 16 CYS CB C 16 37.233 37.233 26.933 10.300 25917 211 1 2 . 1 1 16 16 CYS H H 16 9.123 9.123 8.629 0.494 25917 212 1 2 . 1 1 17 17 GLU N N 17 118.077 118.077 119.244 -1.167 25917 213 1 2 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.963 0.120 25917 214 1 2 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.559 -1.719 25917 215 1 2 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.137 -3.239 25917 216 1 2 . 1 1 17 17 GLU H H 17 8.305 8.305 8.936 -0.631 25917 217 1 2 . 1 1 18 18 GLY N N 18 111.182 111.182 107.031 4.151 25917 218 1 2 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.760 -3.748 25917 219 1 2 . 1 1 18 18 GLY H H 18 8.861 8.861 8.171 0.690 25917 220 1 2 . 1 1 19 19 MET N N 19 117.827 117.827 118.781 -0.954 25917 221 1 2 . 1 1 19 19 MET HA H 19 5.097 5.097 4.436 0.661 25917 222 1 2 . 1 1 19 19 MET CA C 19 51.128 51.128 55.060 -3.932 25917 223 1 2 . 1 1 19 19 MET CB C 19 34.904 34.904 34.736 0.168 25917 224 1 2 . 1 1 19 19 MET H H 19 7.528 7.528 7.571 -0.043 25917 225 1 2 . 1 1 20 20 VAL N N 20 116.719 116.719 122.980 -6.261 25917 226 1 2 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.160 0.313 25917 227 1 2 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.752 -5.301 25917 228 1 2 . 1 1 20 20 VAL CB C 20 32.117 32.117 33.397 -1.280 25917 229 1 2 . 1 1 20 20 VAL H H 20 9.110 9.110 8.172 0.938 25917 230 1 2 . 1 1 21 21 CYS N N 21 122.699 122.699 129.128 -6.429 25917 231 1 2 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.680 0.128 25917 232 1 2 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.086 -6.577 25917 233 1 2 . 1 1 21 21 CYS CB C 21 37.078 37.078 25.713 11.365 25917 234 1 2 . 1 1 21 21 CYS H H 21 8.943 8.943 8.837 0.106 25917 235 1 2 . 1 1 22 22 ARG N N 22 134.904 134.904 125.736 9.168 25917 236 1 2 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.509 0.013 25917 237 1 2 . 1 1 22 22 ARG CA C 22 52.576 52.576 54.861 -2.285 25917 238 1 2 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.598 2.194 25917 239 1 2 . 1 1 22 22 ARG H H 22 8.248 8.248 8.376 -0.128 25917 240 1 2 . 1 1 23 23 LEU N N 23 123.936 123.936 120.745 3.191 25917 241 1 2 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.892 -0.169 25917 242 1 2 . 1 1 23 23 LEU CA C 23 58.762 58.762 57.011 1.751 25917 243 1 2 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.928 -4.585 25917 244 1 2 . 1 1 23 23 LEU H H 23 8.108 8.108 8.394 -0.286 25917 245 1 2 . 1 1 24 24 TRP N N 24 123.699 123.699 116.045 7.654 25917 246 1 2 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.264 0.055 25917 247 1 2 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.074 -1.441 25917 248 1 2 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.115 -2.612 25917 249 1 2 . 1 1 24 24 TRP H H 24 8.115 8.115 7.776 0.339 25917 250 1 2 . 1 1 25 25 CYS N N 25 118.684 118.684 123.414 -4.730 25917 251 1 2 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.055 -0.140 25917 252 1 2 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.222 -5.566 25917 253 1 2 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.236 10.028 25917 254 1 2 . 1 1 25 25 CYS H H 25 8.671 8.671 9.185 -0.514 25917 255 1 2 . 1 1 26 26 LYS N N 26 124.865 124.865 123.826 1.039 25917 256 1 2 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.905 0.068 25917 257 1 2 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.428 -3.324 25917 258 1 2 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.462 -4.575 25917 259 1 2 . 1 1 26 26 LYS H H 26 9.316 9.316 8.144 1.172 25917 260 1 2 . 1 1 27 27 LYS N N 27 119.792 119.792 118.857 0.935 25917 261 1 2 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.526 -0.223 25917 262 1 2 . 1 1 27 27 LYS C C 27 54.469 54.469 175.444 -120.975 25917 263 1 2 . 1 1 27 27 LYS CB C 27 30.360 30.360 34.091 -3.731 25917 264 1 2 . 1 1 27 27 LYS H H 27 8.461 8.461 8.262 0.199 25917 265 1 2 . 1 1 28 28 LYS N N 28 122.343 122.343 120.796 1.547 25917 266 1 2 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.346 -0.240 25917 267 1 2 . 1 1 28 28 LYS CA C 28 53.883 53.883 55.638 -1.755 25917 268 1 2 . 1 1 28 28 LYS CB C 28 30.390 30.390 31.794 -1.404 25917 269 1 2 . 1 1 28 28 LYS H H 28 8.157 8.157 8.452 -0.295 25917 270 1 2 . 1 1 29 29 LEU N N 29 118.006 118.006 126.311 -8.305 25917 271 1 2 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.101 0.219 25917 272 1 2 . 1 1 29 29 LEU CA C 29 52.134 52.134 54.449 -2.315 25917 273 1 2 . 1 1 29 29 LEU CB C 29 26.262 26.262 40.769 -14.507 25917 274 1 2 . 1 1 29 29 LEU H H 29 8.290 8.290 8.609 -0.319 25917 275 1 3 . 1 1 2 2 CYS N N 2 117.668 117.668 119.869 -2.201 25917 276 1 3 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.383 0.711 25917 277 1 3 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.302 -6.497 25917 278 1 3 . 1 1 2 2 CYS CB C 2 40.451 40.451 27.987 12.464 25917 279 1 3 . 1 1 2 2 CYS H H 2 8.171 8.171 8.285 -0.114 25917 280 1 3 . 1 1 3 3 GLN N N 3 117.434 117.434 122.003 -4.569 25917 281 1 3 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.284 1.233 25917 282 1 3 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.486 -2.475 25917 283 1 3 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.500 0.470 25917 284 1 3 . 1 1 3 3 GLN H H 3 9.221 9.221 8.520 0.701 25917 285 1 3 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.262 -0.554 25917 286 1 3 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.658 -3.152 25917 287 1 3 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.727 -2.742 25917 288 1 3 . 1 1 4 4 LYS H H 4 5.270 5.270 6.695 -1.425 25917 289 1 3 . 1 1 5 5 TRP N N 5 118.577 118.577 124.215 -5.638 25917 290 1 3 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.191 0.126 25917 291 1 3 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.574 -2.983 25917 292 1 3 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.966 -3.334 25917 293 1 3 . 1 1 5 5 TRP H H 5 7.941 7.941 8.154 -0.213 25917 294 1 3 . 1 1 6 6 MET N N 6 118.041 118.041 118.274 -0.233 25917 295 1 3 . 1 1 6 6 MET HA H 6 3.924 3.924 4.980 -1.056 25917 296 1 3 . 1 1 6 6 MET CA C 6 53.883 53.883 57.028 -3.145 25917 297 1 3 . 1 1 6 6 MET CB C 6 27.846 27.846 31.883 -4.037 25917 298 1 3 . 1 1 6 6 MET H H 6 9.139 9.139 8.723 0.416 25917 299 1 3 . 1 1 7 7 TRP N N 7 121.757 121.757 125.104 -3.347 25917 300 1 3 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.184 -0.109 25917 301 1 3 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.415 -3.302 25917 302 1 3 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.173 -6.254 25917 303 1 3 . 1 1 7 7 TRP H H 7 8.676 8.676 8.412 0.264 25917 304 1 3 . 1 1 8 8 THR N N 8 112.611 112.611 113.215 -0.604 25917 305 1 3 . 1 1 8 8 THR HA H 8 4.576 4.576 4.761 -0.185 25917 306 1 3 . 1 1 8 8 THR CA C 8 60.134 60.134 60.719 -0.585 25917 307 1 3 . 1 1 8 8 THR CB C 8 67.139 67.139 70.820 -3.681 25917 308 1 3 . 1 1 8 8 THR H H 8 8.533 8.533 8.459 0.074 25917 309 1 3 . 1 1 9 9 CYS N N 9 116.041 116.041 120.611 -4.570 25917 310 1 3 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.692 0.506 25917 311 1 3 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.552 -6.637 25917 312 1 3 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.528 14.900 25917 313 1 3 . 1 1 9 9 CYS H H 9 7.841 7.841 8.556 -0.715 25917 314 1 3 . 1 1 10 10 ASP N N 10 118.399 118.399 121.112 -2.713 25917 315 1 3 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.910 -0.477 25917 316 1 3 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.306 -2.084 25917 317 1 3 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.416 -6.400 25917 318 1 3 . 1 1 10 10 ASP H H 10 8.744 8.744 8.803 -0.059 25917 319 1 3 . 1 1 11 11 SER N N 11 112.253 112.253 115.539 -3.286 25917 320 1 3 . 1 1 11 11 SER HA H 11 4.124 4.124 4.251 -0.127 25917 321 1 3 . 1 1 11 11 SER CA C 11 59.020 59.020 61.873 -2.853 25917 322 1 3 . 1 1 11 11 SER CB C 11 60.066 60.066 63.510 -3.444 25917 323 1 3 . 1 1 11 11 SER H H 11 8.424 8.424 8.544 -0.120 25917 324 1 3 . 1 1 12 12 GLU N N 12 124.186 124.186 120.754 3.432 25917 325 1 3 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.310 0.171 25917 326 1 3 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.786 -3.950 25917 327 1 3 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.659 -2.796 25917 328 1 3 . 1 1 12 12 GLU H H 12 8.239 8.239 8.421 -0.182 25917 329 1 3 . 1 1 13 13 ARG N N 13 116.195 116.195 120.454 -4.259 25917 330 1 3 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.219 0.338 25917 331 1 3 . 1 1 13 13 ARG CA C 13 51.992 51.992 56.245 -4.253 25917 332 1 3 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.668 -2.892 25917 333 1 3 . 1 1 13 13 ARG H H 13 8.194 8.194 8.427 -0.233 25917 334 1 3 . 1 1 14 14 LYS N N 14 121.150 121.150 123.583 -2.433 25917 335 1 3 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.646 -0.241 25917 336 1 3 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.809 -1.650 25917 337 1 3 . 1 1 14 14 LYS CB C 14 31.014 31.014 35.926 -4.912 25917 338 1 3 . 1 1 14 14 LYS H H 14 7.969 7.969 8.257 -0.288 25917 339 1 3 . 1 1 15 15 CYS N N 15 119.435 119.435 122.075 -2.640 25917 340 1 3 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.618 0.319 25917 341 1 3 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.850 -5.757 25917 342 1 3 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.159 12.845 25917 343 1 3 . 1 1 15 15 CYS H H 15 9.162 9.162 8.672 0.490 25917 344 1 3 . 1 1 16 16 CYS N N 16 120.864 120.864 124.708 -3.844 25917 345 1 3 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.305 0.250 25917 346 1 3 . 1 1 16 16 CYS CA C 16 51.362 51.362 61.284 -9.922 25917 347 1 3 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.541 9.692 25917 348 1 3 . 1 1 16 16 CYS H H 16 9.123 9.123 8.662 0.461 25917 349 1 3 . 1 1 17 17 GLU N N 17 118.077 118.077 119.631 -1.554 25917 350 1 3 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.940 0.143 25917 351 1 3 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.847 -2.007 25917 352 1 3 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.889 -2.991 25917 353 1 3 . 1 1 17 17 GLU H H 17 8.305 8.305 8.950 -0.645 25917 354 1 3 . 1 1 18 18 GLY N N 18 111.182 111.182 106.269 4.913 25917 355 1 3 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.665 -3.653 25917 356 1 3 . 1 1 18 18 GLY H H 18 8.861 8.861 8.063 0.798 25917 357 1 3 . 1 1 19 19 MET N N 19 117.827 117.827 117.418 0.409 25917 358 1 3 . 1 1 19 19 MET HA H 19 5.097 5.097 4.401 0.696 25917 359 1 3 . 1 1 19 19 MET CA C 19 51.128 51.128 55.051 -3.923 25917 360 1 3 . 1 1 19 19 MET CB C 19 34.904 34.904 34.747 0.157 25917 361 1 3 . 1 1 19 19 MET H H 19 7.528 7.528 7.400 0.128 25917 362 1 3 . 1 1 20 20 VAL N N 20 116.719 116.719 120.874 -4.155 25917 363 1 3 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.068 0.405 25917 364 1 3 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.950 -5.499 25917 365 1 3 . 1 1 20 20 VAL CB C 20 32.117 32.117 32.679 -0.562 25917 366 1 3 . 1 1 20 20 VAL H H 20 9.110 9.110 8.577 0.533 25917 367 1 3 . 1 1 21 21 CYS N N 21 122.699 122.699 128.060 -5.361 25917 368 1 3 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.889 -0.081 25917 369 1 3 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.114 -6.605 25917 370 1 3 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.623 10.455 25917 371 1 3 . 1 1 21 21 CYS H H 21 8.943 8.943 8.754 0.189 25917 372 1 3 . 1 1 22 22 ARG N N 22 134.904 134.904 126.225 8.679 25917 373 1 3 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.511 0.011 25917 374 1 3 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.465 -2.889 25917 375 1 3 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.393 2.399 25917 376 1 3 . 1 1 22 22 ARG H H 22 8.248 8.248 8.165 0.083 25917 377 1 3 . 1 1 23 23 LEU N N 23 123.936 123.936 121.015 2.921 25917 378 1 3 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.040 -0.317 25917 379 1 3 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.749 2.013 25917 380 1 3 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.920 -4.577 25917 381 1 3 . 1 1 23 23 LEU H H 23 8.108 8.108 8.224 -0.116 25917 382 1 3 . 1 1 24 24 TRP N N 24 123.699 123.699 117.023 6.676 25917 383 1 3 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.490 -0.171 25917 384 1 3 . 1 1 24 24 TRP CA C 24 53.633 53.633 54.805 -1.172 25917 385 1 3 . 1 1 24 24 TRP CB C 24 29.503 29.503 31.831 -2.328 25917 386 1 3 . 1 1 24 24 TRP H H 24 8.115 8.115 7.781 0.334 25917 387 1 3 . 1 1 25 25 CYS N N 25 118.684 118.684 124.205 -5.521 25917 388 1 3 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.188 -0.273 25917 389 1 3 . 1 1 25 25 CYS CA C 25 53.656 53.656 58.981 -5.325 25917 390 1 3 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.229 10.035 25917 391 1 3 . 1 1 25 25 CYS H H 25 8.671 8.671 9.215 -0.544 25917 392 1 3 . 1 1 26 26 LYS N N 26 124.865 124.865 123.939 0.926 25917 393 1 3 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.733 0.240 25917 394 1 3 . 1 1 26 26 LYS CA C 26 52.104 52.104 54.954 -2.850 25917 395 1 3 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.444 -4.556 25917 396 1 3 . 1 1 26 26 LYS H H 26 9.316 9.316 8.168 1.148 25917 397 1 3 . 1 1 27 27 LYS N N 27 119.792 119.792 121.542 -1.750 25917 398 1 3 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.280 0.023 25917 399 1 3 . 1 1 27 27 LYS C C 27 54.469 54.469 176.149 -121.680 25917 400 1 3 . 1 1 27 27 LYS CB C 27 30.360 30.360 32.847 -2.487 25917 401 1 3 . 1 1 27 27 LYS H H 27 8.461 8.461 8.232 0.229 25917 402 1 3 . 1 1 28 28 LYS N N 28 122.343 122.343 120.623 1.720 25917 403 1 3 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.058 0.048 25917 404 1 3 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.446 -2.563 25917 405 1 3 . 1 1 28 28 LYS CB C 28 30.390 30.390 30.892 -0.502 25917 406 1 3 . 1 1 28 28 LYS H H 28 8.157 8.157 8.256 -0.099 25917 407 1 3 . 1 1 29 29 LEU N N 29 118.006 118.006 121.506 -3.500 25917 408 1 3 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.802 -0.482 25917 409 1 3 . 1 1 29 29 LEU CA C 29 52.134 52.134 53.993 -1.859 25917 410 1 3 . 1 1 29 29 LEU CB C 29 26.262 26.262 43.330 -17.068 25917 411 1 3 . 1 1 29 29 LEU H H 29 8.290 8.290 7.751 0.539 25917 412 1 4 . 1 1 2 2 CYS N N 2 117.668 117.668 123.757 -6.089 25917 413 1 4 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.678 0.416 25917 414 1 4 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.076 -5.271 25917 415 1 4 . 1 1 2 2 CYS CB C 2 40.451 40.451 29.146 11.305 25917 416 1 4 . 1 1 2 2 CYS H H 2 8.171 8.171 8.559 -0.388 25917 417 1 4 . 1 1 3 3 GLN N N 3 117.434 117.434 125.215 -7.781 25917 418 1 4 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.462 1.056 25917 419 1 4 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.010 -1.999 25917 420 1 4 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.401 0.569 25917 421 1 4 . 1 1 3 3 GLN H H 3 9.221 9.221 8.145 1.076 25917 422 1 4 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.279 -0.571 25917 423 1 4 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.448 -2.942 25917 424 1 4 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.659 -2.674 25917 425 1 4 . 1 1 4 4 LYS H H 4 5.270 5.270 6.707 -1.437 25917 426 1 4 . 1 1 5 5 TRP N N 5 118.577 118.577 123.291 -4.714 25917 427 1 4 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.224 0.093 25917 428 1 4 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.490 -2.900 25917 429 1 4 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.782 -3.150 25917 430 1 4 . 1 1 5 5 TRP H H 5 7.941 7.941 8.510 -0.569 25917 431 1 4 . 1 1 6 6 MET N N 6 118.041 118.041 118.117 -0.076 25917 432 1 4 . 1 1 6 6 MET HA H 6 3.924 3.924 4.868 -0.944 25917 433 1 4 . 1 1 6 6 MET CA C 6 53.883 53.883 56.991 -3.108 25917 434 1 4 . 1 1 6 6 MET CB C 6 27.846 27.846 31.951 -4.104 25917 435 1 4 . 1 1 6 6 MET H H 6 9.139 9.139 8.769 0.370 25917 436 1 4 . 1 1 7 7 TRP N N 7 121.757 121.757 125.662 -3.905 25917 437 1 4 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.333 -0.258 25917 438 1 4 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.464 -3.351 25917 439 1 4 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.914 -6.995 25917 440 1 4 . 1 1 7 7 TRP H H 7 8.676 8.676 8.463 0.213 25917 441 1 4 . 1 1 8 8 THR N N 8 112.611 112.611 112.607 0.004 25917 442 1 4 . 1 1 8 8 THR HA H 8 4.576 4.576 4.404 0.172 25917 443 1 4 . 1 1 8 8 THR CA C 8 60.134 60.134 61.280 -1.146 25917 444 1 4 . 1 1 8 8 THR CB C 8 67.139 67.139 70.032 -2.893 25917 445 1 4 . 1 1 8 8 THR H H 8 8.533 8.533 8.284 0.249 25917 446 1 4 . 1 1 9 9 CYS N N 9 116.041 116.041 121.291 -5.250 25917 447 1 4 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.765 0.433 25917 448 1 4 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.859 -5.944 25917 449 1 4 . 1 1 9 9 CYS CB C 9 45.428 45.428 29.824 15.604 25917 450 1 4 . 1 1 9 9 CYS H H 9 7.841 7.841 8.645 -0.804 25917 451 1 4 . 1 1 10 10 ASP N N 10 118.399 118.399 119.802 -1.403 25917 452 1 4 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.800 -0.367 25917 453 1 4 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.106 -1.884 25917 454 1 4 . 1 1 10 10 ASP CB C 10 37.016 37.016 44.133 -7.117 25917 455 1 4 . 1 1 10 10 ASP H H 10 8.744 8.744 8.078 0.666 25917 456 1 4 . 1 1 11 11 SER N N 11 112.253 112.253 115.071 -2.818 25917 457 1 4 . 1 1 11 11 SER HA H 11 4.124 4.124 4.391 -0.267 25917 458 1 4 . 1 1 11 11 SER CA C 11 59.020 59.020 60.563 -1.543 25917 459 1 4 . 1 1 11 11 SER CB C 11 60.066 60.066 63.374 -3.308 25917 460 1 4 . 1 1 11 11 SER H H 11 8.424 8.424 8.421 0.003 25917 461 1 4 . 1 1 12 12 GLU N N 12 124.186 124.186 119.929 4.257 25917 462 1 4 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.252 0.229 25917 463 1 4 . 1 1 12 12 GLU CA C 12 53.836 53.836 56.747 -2.911 25917 464 1 4 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.817 -2.954 25917 465 1 4 . 1 1 12 12 GLU H H 12 8.239 8.239 8.098 0.141 25917 466 1 4 . 1 1 13 13 ARG N N 13 116.195 116.195 120.161 -3.966 25917 467 1 4 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.284 0.273 25917 468 1 4 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.832 -3.840 25917 469 1 4 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.912 -3.136 25917 470 1 4 . 1 1 13 13 ARG H H 13 8.194 8.194 7.834 0.360 25917 471 1 4 . 1 1 14 14 LYS N N 14 121.150 121.150 123.829 -2.679 25917 472 1 4 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.659 -0.254 25917 473 1 4 . 1 1 14 14 LYS CA C 14 53.159 53.159 55.047 -1.887 25917 474 1 4 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.027 -3.013 25917 475 1 4 . 1 1 14 14 LYS H H 14 7.969 7.969 8.188 -0.219 25917 476 1 4 . 1 1 15 15 CYS N N 15 119.435 119.435 122.474 -3.039 25917 477 1 4 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.836 0.101 25917 478 1 4 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.960 -5.867 25917 479 1 4 . 1 1 15 15 CYS CB C 15 38.004 38.004 26.629 11.375 25917 480 1 4 . 1 1 15 15 CYS H H 15 9.162 9.162 8.563 0.599 25917 481 1 4 . 1 1 16 16 CYS N N 16 120.864 120.864 124.754 -3.890 25917 482 1 4 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.200 0.354 25917 483 1 4 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.652 -9.290 25917 484 1 4 . 1 1 16 16 CYS CB C 16 37.233 37.233 26.901 10.332 25917 485 1 4 . 1 1 16 16 CYS H H 16 9.123 9.123 8.728 0.395 25917 486 1 4 . 1 1 17 17 GLU N N 17 118.077 118.077 119.780 -1.703 25917 487 1 4 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.857 0.226 25917 488 1 4 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.859 -2.019 25917 489 1 4 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.800 -2.902 25917 490 1 4 . 1 1 17 17 GLU H H 17 8.305 8.305 8.951 -0.646 25917 491 1 4 . 1 1 18 18 GLY N N 18 111.182 111.182 105.687 5.495 25917 492 1 4 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.138 -3.126 25917 493 1 4 . 1 1 18 18 GLY H H 18 8.861 8.861 7.967 0.894 25917 494 1 4 . 1 1 19 19 MET N N 19 117.827 117.827 117.647 0.180 25917 495 1 4 . 1 1 19 19 MET HA H 19 5.097 5.097 4.612 0.485 25917 496 1 4 . 1 1 19 19 MET CA C 19 51.128 51.128 55.146 -4.018 25917 497 1 4 . 1 1 19 19 MET CB C 19 34.904 34.904 34.863 0.041 25917 498 1 4 . 1 1 19 19 MET H H 19 7.528 7.528 7.508 0.020 25917 499 1 4 . 1 1 20 20 VAL N N 20 116.719 116.719 120.721 -4.002 25917 500 1 4 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.329 0.144 25917 501 1 4 . 1 1 20 20 VAL CA C 20 56.451 56.451 60.392 -3.942 25917 502 1 4 . 1 1 20 20 VAL CB C 20 32.117 32.117 33.910 -1.793 25917 503 1 4 . 1 1 20 20 VAL H H 20 9.110 9.110 8.346 0.764 25917 504 1 4 . 1 1 21 21 CYS N N 21 122.699 122.699 129.199 -6.500 25917 505 1 4 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.676 0.132 25917 506 1 4 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.163 -6.654 25917 507 1 4 . 1 1 21 21 CYS CB C 21 37.078 37.078 25.287 11.791 25917 508 1 4 . 1 1 21 21 CYS H H 21 8.943 8.943 8.760 0.183 25917 509 1 4 . 1 1 22 22 ARG N N 22 134.904 134.904 124.922 9.982 25917 510 1 4 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.532 -0.010 25917 511 1 4 . 1 1 22 22 ARG CA C 22 52.576 52.576 54.120 -1.544 25917 512 1 4 . 1 1 22 22 ARG CB C 22 33.792 33.792 32.079 1.713 25917 513 1 4 . 1 1 22 22 ARG H H 22 8.248 8.248 8.268 -0.019 25917 514 1 4 . 1 1 23 23 LEU N N 23 123.936 123.936 123.114 0.822 25917 515 1 4 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.305 -0.582 25917 516 1 4 . 1 1 23 23 LEU CA C 23 58.762 58.762 55.376 3.386 25917 517 1 4 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.140 -3.797 25917 518 1 4 . 1 1 23 23 LEU H H 23 8.108 8.108 8.525 -0.417 25917 519 1 4 . 1 1 24 24 TRP N N 24 123.699 123.699 121.497 2.202 25917 520 1 4 . 1 1 24 24 TRP HA H 24 5.319 5.319 4.424 0.895 25917 521 1 4 . 1 1 24 24 TRP CA C 24 53.633 53.633 57.199 -3.566 25917 522 1 4 . 1 1 24 24 TRP CB C 24 29.503 29.503 27.668 1.835 25917 523 1 4 . 1 1 24 24 TRP H H 24 8.115 8.115 7.862 0.253 25917 524 1 4 . 1 1 25 25 CYS N N 25 118.684 118.684 124.133 -5.449 25917 525 1 4 . 1 1 25 25 CYS HA H 25 4.915 4.915 4.760 0.155 25917 526 1 4 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.343 -5.687 25917 527 1 4 . 1 1 25 25 CYS CB C 25 37.264 37.264 26.885 10.379 25917 528 1 4 . 1 1 25 25 CYS H H 25 8.671 8.671 9.041 -0.370 25917 529 1 4 . 1 1 26 26 LYS N N 26 124.865 124.865 125.657 -0.792 25917 530 1 4 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.553 0.420 25917 531 1 4 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.434 -3.330 25917 532 1 4 . 1 1 26 26 LYS CB C 26 32.887 32.887 36.091 -3.204 25917 533 1 4 . 1 1 26 26 LYS H H 26 9.316 9.316 8.521 0.795 25917 534 1 4 . 1 1 27 27 LYS N N 27 119.792 119.792 120.511 -0.719 25917 535 1 4 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.331 -0.028 25917 536 1 4 . 1 1 27 27 LYS C C 27 54.469 54.469 176.230 -121.761 25917 537 1 4 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.339 -2.979 25917 538 1 4 . 1 1 27 27 LYS H H 27 8.461 8.461 7.850 0.611 25917 539 1 4 . 1 1 28 28 LYS N N 28 122.343 122.343 121.776 0.567 25917 540 1 4 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.226 -0.120 25917 541 1 4 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.437 -2.554 25917 542 1 4 . 1 1 28 28 LYS CB C 28 30.390 30.390 31.338 -0.948 25917 543 1 4 . 1 1 28 28 LYS H H 28 8.157 8.157 8.507 -0.350 25917 544 1 4 . 1 1 29 29 LEU N N 29 118.006 118.006 123.802 -5.796 25917 545 1 4 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.155 0.165 25917 546 1 4 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.490 -3.356 25917 547 1 4 . 1 1 29 29 LEU CB C 29 26.262 26.262 41.922 -15.661 25917 548 1 4 . 1 1 29 29 LEU H H 29 8.290 8.290 8.326 -0.036 25917 549 1 5 . 1 1 2 2 CYS N N 2 117.668 117.668 121.341 -3.673 25917 550 1 5 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.568 0.526 25917 551 1 5 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.396 -5.591 25917 552 1 5 . 1 1 2 2 CYS CB C 2 40.451 40.451 28.548 11.903 25917 553 1 5 . 1 1 2 2 CYS H H 2 8.171 8.171 7.813 0.358 25917 554 1 5 . 1 1 3 3 GLN N N 3 117.434 117.434 126.246 -8.812 25917 555 1 5 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.427 1.090 25917 556 1 5 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.279 -2.268 25917 557 1 5 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.301 0.669 25917 558 1 5 . 1 1 3 3 GLN H H 3 9.221 9.221 8.363 0.858 25917 559 1 5 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.267 -0.559 25917 560 1 5 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.556 -3.050 25917 561 1 5 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.503 -2.518 25917 562 1 5 . 1 1 4 4 LYS H H 4 5.270 5.270 6.572 -1.302 25917 563 1 5 . 1 1 5 5 TRP N N 5 118.577 118.577 124.082 -5.505 25917 564 1 5 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.243 0.074 25917 565 1 5 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.174 -2.583 25917 566 1 5 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.903 -3.271 25917 567 1 5 . 1 1 5 5 TRP H H 5 7.941 7.941 8.417 -0.476 25917 568 1 5 . 1 1 6 6 MET N N 6 118.041 118.041 118.484 -0.443 25917 569 1 5 . 1 1 6 6 MET HA H 6 3.924 3.924 4.761 -0.837 25917 570 1 5 . 1 1 6 6 MET CA C 6 53.883 53.883 56.659 -2.776 25917 571 1 5 . 1 1 6 6 MET CB C 6 27.846 27.846 31.508 -3.662 25917 572 1 5 . 1 1 6 6 MET H H 6 9.139 9.139 7.409 1.730 25917 573 1 5 . 1 1 7 7 TRP N N 7 121.757 121.757 125.277 -3.520 25917 574 1 5 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.299 -0.224 25917 575 1 5 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.398 -3.285 25917 576 1 5 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.839 -6.920 25917 577 1 5 . 1 1 7 7 TRP H H 7 8.676 8.676 8.346 0.330 25917 578 1 5 . 1 1 8 8 THR N N 8 112.611 112.611 112.681 -0.070 25917 579 1 5 . 1 1 8 8 THR HA H 8 4.576 4.576 4.152 0.424 25917 580 1 5 . 1 1 8 8 THR CA C 8 60.134 60.134 61.568 -1.434 25917 581 1 5 . 1 1 8 8 THR CB C 8 67.139 67.139 69.246 -2.107 25917 582 1 5 . 1 1 8 8 THR H H 8 8.533 8.533 8.296 0.237 25917 583 1 5 . 1 1 9 9 CYS N N 9 116.041 116.041 121.046 -5.005 25917 584 1 5 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.691 0.507 25917 585 1 5 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.977 -6.062 25917 586 1 5 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.510 14.918 25917 587 1 5 . 1 1 9 9 CYS H H 9 7.841 7.841 8.591 -0.750 25917 588 1 5 . 1 1 10 10 ASP N N 10 118.399 118.399 120.835 -2.436 25917 589 1 5 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.945 -0.512 25917 590 1 5 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.541 -2.320 25917 591 1 5 . 1 1 10 10 ASP CB C 10 37.016 37.016 44.046 -7.030 25917 592 1 5 . 1 1 10 10 ASP H H 10 8.744 8.744 8.245 0.499 25917 593 1 5 . 1 1 11 11 SER N N 11 112.253 112.253 114.357 -2.104 25917 594 1 5 . 1 1 11 11 SER HA H 11 4.124 4.124 4.289 -0.165 25917 595 1 5 . 1 1 11 11 SER CA C 11 59.020 59.020 60.806 -1.786 25917 596 1 5 . 1 1 11 11 SER CB C 11 60.066 60.066 63.452 -3.386 25917 597 1 5 . 1 1 11 11 SER H H 11 8.424 8.424 8.548 -0.124 25917 598 1 5 . 1 1 12 12 GLU N N 12 124.186 124.186 119.302 4.884 25917 599 1 5 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.206 0.275 25917 600 1 5 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.988 -4.152 25917 601 1 5 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.187 -2.324 25917 602 1 5 . 1 1 12 12 GLU H H 12 8.239 8.239 8.383 -0.144 25917 603 1 5 . 1 1 13 13 ARG N N 13 116.195 116.195 121.181 -4.986 25917 604 1 5 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.310 0.247 25917 605 1 5 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.446 -3.454 25917 606 1 5 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.944 -3.168 25917 607 1 5 . 1 1 13 13 ARG H H 13 8.194 8.194 8.079 0.115 25917 608 1 5 . 1 1 14 14 LYS N N 14 121.150 121.150 126.074 -4.924 25917 609 1 5 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.549 -0.144 25917 610 1 5 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.627 -1.468 25917 611 1 5 . 1 1 14 14 LYS CB C 14 31.014 31.014 33.712 -2.698 25917 612 1 5 . 1 1 14 14 LYS H H 14 7.969 7.969 8.253 -0.284 25917 613 1 5 . 1 1 15 15 CYS N N 15 119.435 119.435 122.783 -3.348 25917 614 1 5 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.665 0.272 25917 615 1 5 . 1 1 15 15 CYS CA C 15 53.093 53.093 59.060 -5.967 25917 616 1 5 . 1 1 15 15 CYS CB C 15 38.004 38.004 26.559 11.445 25917 617 1 5 . 1 1 15 15 CYS H H 15 9.162 9.162 8.646 0.516 25917 618 1 5 . 1 1 16 16 CYS N N 16 120.864 120.864 126.001 -5.137 25917 619 1 5 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.175 0.380 25917 620 1 5 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.721 -9.359 25917 621 1 5 . 1 1 16 16 CYS CB C 16 37.233 37.233 26.618 10.615 25917 622 1 5 . 1 1 16 16 CYS H H 16 9.123 9.123 8.827 0.296 25917 623 1 5 . 1 1 17 17 GLU N N 17 118.077 118.077 120.869 -2.792 25917 624 1 5 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.937 0.146 25917 625 1 5 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.999 -2.159 25917 626 1 5 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.369 -3.471 25917 627 1 5 . 1 1 17 17 GLU H H 17 8.305 8.305 8.970 -0.665 25917 628 1 5 . 1 1 18 18 GLY N N 18 111.182 111.182 107.229 3.953 25917 629 1 5 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.713 -3.701 25917 630 1 5 . 1 1 18 18 GLY H H 18 8.861 8.861 7.902 0.959 25917 631 1 5 . 1 1 19 19 MET N N 19 117.827 117.827 117.806 0.021 25917 632 1 5 . 1 1 19 19 MET HA H 19 5.097 5.097 4.617 0.480 25917 633 1 5 . 1 1 19 19 MET CA C 19 51.128 51.128 55.301 -4.173 25917 634 1 5 . 1 1 19 19 MET CB C 19 34.904 34.904 34.791 0.113 25917 635 1 5 . 1 1 19 19 MET H H 19 7.528 7.528 7.789 -0.261 25917 636 1 5 . 1 1 20 20 VAL N N 20 116.719 116.719 121.484 -4.765 25917 637 1 5 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.150 0.323 25917 638 1 5 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.102 -4.651 25917 639 1 5 . 1 1 20 20 VAL CB C 20 32.117 32.117 31.875 0.242 25917 640 1 5 . 1 1 20 20 VAL H H 20 9.110 9.110 8.492 0.618 25917 641 1 5 . 1 1 21 21 CYS N N 21 122.699 122.699 128.584 -5.885 25917 642 1 5 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.508 0.300 25917 643 1 5 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.044 -6.535 25917 644 1 5 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.052 11.026 25917 645 1 5 . 1 1 21 21 CYS H H 21 8.943 8.943 8.734 0.209 25917 646 1 5 . 1 1 22 22 ARG N N 22 134.904 134.904 125.950 8.954 25917 647 1 5 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.524 -0.002 25917 648 1 5 . 1 1 22 22 ARG CA C 22 52.576 52.576 54.013 -1.437 25917 649 1 5 . 1 1 22 22 ARG CB C 22 33.792 33.792 32.428 1.363 25917 650 1 5 . 1 1 22 22 ARG H H 22 8.248 8.248 8.588 -0.340 25917 651 1 5 . 1 1 23 23 LEU N N 23 123.936 123.936 123.064 0.872 25917 652 1 5 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.258 -0.535 25917 653 1 5 . 1 1 23 23 LEU CA C 23 58.762 58.762 55.363 3.399 25917 654 1 5 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.280 -3.937 25917 655 1 5 . 1 1 23 23 LEU H H 23 8.108 8.108 8.529 -0.421 25917 656 1 5 . 1 1 24 24 TRP N N 24 123.699 123.699 121.565 2.134 25917 657 1 5 . 1 1 24 24 TRP HA H 24 5.319 5.319 4.397 0.922 25917 658 1 5 . 1 1 24 24 TRP CA C 24 53.633 53.633 56.893 -3.260 25917 659 1 5 . 1 1 24 24 TRP CB C 24 29.503 29.503 27.046 2.457 25917 660 1 5 . 1 1 24 24 TRP H H 24 8.115 8.115 7.721 0.394 25917 661 1 5 . 1 1 25 25 CYS N N 25 118.684 118.684 122.887 -4.203 25917 662 1 5 . 1 1 25 25 CYS HA H 25 4.915 4.915 4.728 0.187 25917 663 1 5 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.417 -5.761 25917 664 1 5 . 1 1 25 25 CYS CB C 25 37.264 37.264 28.469 8.795 25917 665 1 5 . 1 1 25 25 CYS H H 25 8.671 8.671 8.705 -0.034 25917 666 1 5 . 1 1 26 26 LYS N N 26 124.865 124.865 123.464 1.401 25917 667 1 5 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.898 0.075 25917 668 1 5 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.204 -3.100 25917 669 1 5 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.026 -4.139 25917 670 1 5 . 1 1 26 26 LYS H H 26 9.316 9.316 8.736 0.580 25917 671 1 5 . 1 1 27 27 LYS N N 27 119.792 119.792 120.713 -0.921 25917 672 1 5 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.292 0.011 25917 673 1 5 . 1 1 27 27 LYS C C 27 54.469 54.469 177.524 -123.055 25917 674 1 5 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.021 -2.661 25917 675 1 5 . 1 1 27 27 LYS H H 27 8.461 8.461 8.548 -0.087 25917 676 1 5 . 1 1 28 28 LYS N N 28 122.343 122.343 122.147 0.196 25917 677 1 5 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.317 -0.211 25917 678 1 5 . 1 1 28 28 LYS CA C 28 53.883 53.883 57.336 -3.453 25917 679 1 5 . 1 1 28 28 LYS CB C 28 30.390 30.390 30.724 -0.334 25917 680 1 5 . 1 1 28 28 LYS H H 28 8.157 8.157 8.741 -0.584 25917 681 1 5 . 1 1 29 29 LEU N N 29 118.006 118.006 123.063 -5.057 25917 682 1 5 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.478 -0.158 25917 683 1 5 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.048 -2.914 25917 684 1 5 . 1 1 29 29 LEU CB C 29 26.262 26.262 43.352 -17.090 25917 685 1 5 . 1 1 29 29 LEU H H 29 8.290 8.290 8.610 -0.320 25917 686 1 6 . 1 1 2 2 CYS N N 2 117.668 117.668 120.662 -2.994 25917 687 1 6 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.490 0.604 25917 688 1 6 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.613 -6.808 25917 689 1 6 . 1 1 2 2 CYS CB C 2 40.451 40.451 27.787 12.664 25917 690 1 6 . 1 1 2 2 CYS H H 2 8.171 8.171 7.897 0.274 25917 691 1 6 . 1 1 3 3 GLN N N 3 117.434 117.434 122.130 -4.696 25917 692 1 6 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.650 0.867 25917 693 1 6 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.698 -2.687 25917 694 1 6 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.707 0.263 25917 695 1 6 . 1 1 3 3 GLN H H 3 9.221 9.221 8.566 0.655 25917 696 1 6 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.150 -0.442 25917 697 1 6 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.682 -3.176 25917 698 1 6 . 1 1 4 4 LYS CB C 4 29.985 29.985 31.457 -1.472 25917 699 1 6 . 1 1 4 4 LYS H H 4 5.270 5.270 6.851 -1.581 25917 700 1 6 . 1 1 5 5 TRP N N 5 118.577 118.577 123.984 -5.407 25917 701 1 6 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.122 0.195 25917 702 1 6 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.444 -2.853 25917 703 1 6 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.707 -3.075 25917 704 1 6 . 1 1 5 5 TRP H H 5 7.941 7.941 8.098 -0.157 25917 705 1 6 . 1 1 6 6 MET N N 6 118.041 118.041 119.090 -1.049 25917 706 1 6 . 1 1 6 6 MET HA H 6 3.924 3.924 4.794 -0.870 25917 707 1 6 . 1 1 6 6 MET CA C 6 53.883 53.883 56.434 -2.551 25917 708 1 6 . 1 1 6 6 MET CB C 6 27.846 27.846 31.502 -3.656 25917 709 1 6 . 1 1 6 6 MET H H 6 9.139 9.139 7.439 1.700 25917 710 1 6 . 1 1 7 7 TRP N N 7 121.757 121.757 123.908 -2.151 25917 711 1 6 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.129 -0.054 25917 712 1 6 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.103 -2.990 25917 713 1 6 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.601 -6.682 25917 714 1 6 . 1 1 7 7 TRP H H 7 8.676 8.676 8.193 0.483 25917 715 1 6 . 1 1 8 8 THR N N 8 112.611 112.611 112.506 0.105 25917 716 1 6 . 1 1 8 8 THR HA H 8 4.576 4.576 4.652 -0.076 25917 717 1 6 . 1 1 8 8 THR CA C 8 60.134 60.134 60.908 -0.774 25917 718 1 6 . 1 1 8 8 THR CB C 8 67.139 67.139 70.224 -3.085 25917 719 1 6 . 1 1 8 8 THR H H 8 8.533 8.533 8.332 0.201 25917 720 1 6 . 1 1 9 9 CYS N N 9 116.041 116.041 119.998 -3.957 25917 721 1 6 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.648 0.550 25917 722 1 6 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.303 -6.388 25917 723 1 6 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.862 14.566 25917 724 1 6 . 1 1 9 9 CYS H H 9 7.841 7.841 8.433 -0.592 25917 725 1 6 . 1 1 10 10 ASP N N 10 118.399 118.399 119.828 -1.429 25917 726 1 6 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.870 -0.437 25917 727 1 6 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.653 -2.431 25917 728 1 6 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.212 -6.197 25917 729 1 6 . 1 1 10 10 ASP H H 10 8.744 8.744 8.553 0.191 25917 730 1 6 . 1 1 11 11 SER N N 11 112.253 112.253 115.167 -2.914 25917 731 1 6 . 1 1 11 11 SER HA H 11 4.124 4.124 4.374 -0.250 25917 732 1 6 . 1 1 11 11 SER CA C 11 59.020 59.020 60.803 -1.783 25917 733 1 6 . 1 1 11 11 SER CB C 11 60.066 60.066 63.182 -3.116 25917 734 1 6 . 1 1 11 11 SER H H 11 8.424 8.424 8.427 -0.003 25917 735 1 6 . 1 1 12 12 GLU N N 12 124.186 124.186 120.459 3.727 25917 736 1 6 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.325 0.156 25917 737 1 6 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.049 -3.213 25917 738 1 6 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.647 -2.784 25917 739 1 6 . 1 1 12 12 GLU H H 12 8.239 8.239 8.250 -0.011 25917 740 1 6 . 1 1 13 13 ARG N N 13 116.195 116.195 120.737 -4.542 25917 741 1 6 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.298 0.259 25917 742 1 6 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.157 -3.165 25917 743 1 6 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.480 -2.704 25917 744 1 6 . 1 1 13 13 ARG H H 13 8.194 8.194 7.980 0.214 25917 745 1 6 . 1 1 14 14 LYS N N 14 121.150 121.150 123.459 -2.309 25917 746 1 6 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.779 -0.374 25917 747 1 6 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.678 -1.519 25917 748 1 6 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.346 -3.332 25917 749 1 6 . 1 1 14 14 LYS H H 14 7.969 7.969 7.907 0.062 25917 750 1 6 . 1 1 15 15 CYS N N 15 119.435 119.435 122.153 -2.718 25917 751 1 6 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.611 0.326 25917 752 1 6 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.885 -5.792 25917 753 1 6 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.749 12.255 25917 754 1 6 . 1 1 15 15 CYS H H 15 9.162 9.162 8.652 0.510 25917 755 1 6 . 1 1 16 16 CYS N N 16 120.864 120.864 124.195 -3.331 25917 756 1 6 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.348 0.207 25917 757 1 6 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.642 -9.280 25917 758 1 6 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.124 10.109 25917 759 1 6 . 1 1 16 16 CYS H H 16 9.123 9.123 8.646 0.477 25917 760 1 6 . 1 1 17 17 GLU N N 17 118.077 118.077 121.237 -3.160 25917 761 1 6 . 1 1 17 17 GLU HA H 17 4.083 4.083 4.007 0.076 25917 762 1 6 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.634 -1.794 25917 763 1 6 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.348 -3.450 25917 764 1 6 . 1 1 17 17 GLU H H 17 8.305 8.305 8.997 -0.692 25917 765 1 6 . 1 1 18 18 GLY N N 18 111.182 111.182 106.461 4.721 25917 766 1 6 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.698 -3.686 25917 767 1 6 . 1 1 18 18 GLY H H 18 8.861 8.861 8.179 0.682 25917 768 1 6 . 1 1 19 19 MET N N 19 117.827 117.827 117.934 -0.107 25917 769 1 6 . 1 1 19 19 MET HA H 19 5.097 5.097 4.580 0.517 25917 770 1 6 . 1 1 19 19 MET CA C 19 51.128 51.128 55.362 -4.234 25917 771 1 6 . 1 1 19 19 MET CB C 19 34.904 34.904 34.741 0.163 25917 772 1 6 . 1 1 19 19 MET H H 19 7.528 7.528 7.724 -0.196 25917 773 1 6 . 1 1 20 20 VAL N N 20 116.719 116.719 121.954 -5.235 25917 774 1 6 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.233 0.240 25917 775 1 6 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.092 -4.641 25917 776 1 6 . 1 1 20 20 VAL CB C 20 32.117 32.117 34.106 -1.989 25917 777 1 6 . 1 1 20 20 VAL H H 20 9.110 9.110 8.936 0.174 25917 778 1 6 . 1 1 21 21 CYS N N 21 122.699 122.699 129.602 -6.903 25917 779 1 6 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.792 0.016 25917 780 1 6 . 1 1 21 21 CYS CA C 21 52.509 52.509 58.621 -6.112 25917 781 1 6 . 1 1 21 21 CYS CB C 21 37.078 37.078 25.712 11.366 25917 782 1 6 . 1 1 21 21 CYS H H 21 8.943 8.943 8.760 0.183 25917 783 1 6 . 1 1 22 22 ARG N N 22 134.904 134.904 125.550 9.354 25917 784 1 6 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.535 -0.013 25917 785 1 6 . 1 1 22 22 ARG CA C 22 52.576 52.576 54.549 -1.973 25917 786 1 6 . 1 1 22 22 ARG CB C 22 33.792 33.792 30.967 2.825 25917 787 1 6 . 1 1 22 22 ARG H H 22 8.248 8.248 8.152 0.096 25917 788 1 6 . 1 1 23 23 LEU N N 23 123.936 123.936 120.713 3.223 25917 789 1 6 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.952 -0.229 25917 790 1 6 . 1 1 23 23 LEU CA C 23 58.762 58.762 57.040 1.722 25917 791 1 6 . 1 1 23 23 LEU CB C 23 37.343 37.343 42.052 -4.709 25917 792 1 6 . 1 1 23 23 LEU H H 23 8.108 8.108 8.344 -0.235 25917 793 1 6 . 1 1 24 24 TRP N N 24 123.699 123.699 116.999 6.700 25917 794 1 6 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.247 0.072 25917 795 1 6 . 1 1 24 24 TRP CA C 24 53.633 53.633 54.694 -1.061 25917 796 1 6 . 1 1 24 24 TRP CB C 24 29.503 29.503 31.458 -1.955 25917 797 1 6 . 1 1 24 24 TRP H H 24 8.115 8.115 7.710 0.405 25917 798 1 6 . 1 1 25 25 CYS N N 25 118.684 118.684 124.510 -5.826 25917 799 1 6 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.174 -0.259 25917 800 1 6 . 1 1 25 25 CYS CA C 25 53.656 53.656 58.892 -5.236 25917 801 1 6 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.146 10.118 25917 802 1 6 . 1 1 25 25 CYS H H 25 8.671 8.671 9.265 -0.594 25917 803 1 6 . 1 1 26 26 LYS N N 26 124.865 124.865 123.894 0.971 25917 804 1 6 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.875 0.098 25917 805 1 6 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.303 -3.199 25917 806 1 6 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.511 -4.624 25917 807 1 6 . 1 1 26 26 LYS H H 26 9.316 9.316 8.147 1.169 25917 808 1 6 . 1 1 27 27 LYS N N 27 119.792 119.792 120.397 -0.605 25917 809 1 6 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.419 -0.116 25917 810 1 6 . 1 1 27 27 LYS C C 27 54.469 54.469 176.496 -122.027 25917 811 1 6 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.278 -2.918 25917 812 1 6 . 1 1 27 27 LYS H H 27 8.461 8.461 8.542 -0.081 25917 813 1 6 . 1 1 28 28 LYS N N 28 122.343 122.343 119.251 3.092 25917 814 1 6 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.366 -0.260 25917 815 1 6 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.115 -2.232 25917 816 1 6 . 1 1 28 28 LYS CB C 28 30.390 30.390 32.560 -2.170 25917 817 1 6 . 1 1 28 28 LYS H H 28 8.157 8.157 8.517 -0.360 25917 818 1 6 . 1 1 29 29 LEU N N 29 118.006 118.006 119.187 -1.181 25917 819 1 6 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.895 -0.575 25917 820 1 6 . 1 1 29 29 LEU CA C 29 52.134 52.134 54.557 -2.423 25917 821 1 6 . 1 1 29 29 LEU CB C 29 26.262 26.262 41.860 -15.598 25917 822 1 6 . 1 1 29 29 LEU H H 29 8.290 8.290 8.357 -0.067 25917 823 1 7 . 1 1 2 2 CYS N N 2 117.668 117.668 120.473 -2.805 25917 824 1 7 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.464 0.630 25917 825 1 7 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.335 -5.530 25917 826 1 7 . 1 1 2 2 CYS CB C 2 40.451 40.451 29.661 10.790 25917 827 1 7 . 1 1 2 2 CYS H H 2 8.171 8.171 8.029 0.142 25917 828 1 7 . 1 1 3 3 GLN N N 3 117.434 117.434 121.528 -4.094 25917 829 1 7 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.071 1.446 25917 830 1 7 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.177 -2.166 25917 831 1 7 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.270 0.700 25917 832 1 7 . 1 1 3 3 GLN H H 3 9.221 9.221 8.566 0.655 25917 833 1 7 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.295 -0.587 25917 834 1 7 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.680 -3.174 25917 835 1 7 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.842 -2.857 25917 836 1 7 . 1 1 4 4 LYS H H 4 5.270 5.270 6.734 -1.464 25917 837 1 7 . 1 1 5 5 TRP N N 5 118.577 118.577 125.102 -6.525 25917 838 1 7 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.195 0.122 25917 839 1 7 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.513 -2.922 25917 840 1 7 . 1 1 5 5 TRP CB C 5 25.632 25.632 29.070 -3.438 25917 841 1 7 . 1 1 5 5 TRP H H 5 7.941 7.941 8.254 -0.313 25917 842 1 7 . 1 1 6 6 MET N N 6 118.041 118.041 118.552 -0.511 25917 843 1 7 . 1 1 6 6 MET HA H 6 3.924 3.924 4.657 -0.733 25917 844 1 7 . 1 1 6 6 MET CA C 6 53.883 53.883 56.805 -2.922 25917 845 1 7 . 1 1 6 6 MET CB C 6 27.846 27.846 31.413 -3.567 25917 846 1 7 . 1 1 6 6 MET H H 6 9.139 9.139 7.567 1.572 25917 847 1 7 . 1 1 7 7 TRP N N 7 121.757 121.757 124.877 -3.120 25917 848 1 7 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.135 -0.060 25917 849 1 7 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.299 -3.186 25917 850 1 7 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.420 -6.501 25917 851 1 7 . 1 1 7 7 TRP H H 7 8.676 8.676 8.263 0.413 25917 852 1 7 . 1 1 8 8 THR N N 8 112.611 112.611 112.365 0.246 25917 853 1 7 . 1 1 8 8 THR HA H 8 4.576 4.576 4.592 -0.016 25917 854 1 7 . 1 1 8 8 THR CA C 8 60.134 60.134 61.406 -1.272 25917 855 1 7 . 1 1 8 8 THR CB C 8 67.139 67.139 70.285 -3.146 25917 856 1 7 . 1 1 8 8 THR H H 8 8.533 8.533 8.350 0.183 25917 857 1 7 . 1 1 9 9 CYS N N 9 116.041 116.041 121.191 -5.150 25917 858 1 7 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.821 0.377 25917 859 1 7 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.893 -5.978 25917 860 1 7 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.014 15.414 25917 861 1 7 . 1 1 9 9 CYS H H 9 7.841 7.841 8.640 -0.799 25917 862 1 7 . 1 1 10 10 ASP N N 10 118.399 118.399 118.581 -0.182 25917 863 1 7 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.738 -0.305 25917 864 1 7 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.280 -2.058 25917 865 1 7 . 1 1 10 10 ASP CB C 10 37.016 37.016 42.956 -5.940 25917 866 1 7 . 1 1 10 10 ASP H H 10 8.744 8.744 8.646 0.098 25917 867 1 7 . 1 1 11 11 SER N N 11 112.253 112.253 113.931 -1.678 25917 868 1 7 . 1 1 11 11 SER HA H 11 4.124 4.124 4.406 -0.282 25917 869 1 7 . 1 1 11 11 SER CA C 11 59.020 59.020 60.489 -1.469 25917 870 1 7 . 1 1 11 11 SER CB C 11 60.066 60.066 63.128 -3.062 25917 871 1 7 . 1 1 11 11 SER H H 11 8.424 8.424 8.432 -0.008 25917 872 1 7 . 1 1 12 12 GLU N N 12 124.186 124.186 120.009 4.177 25917 873 1 7 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.290 0.191 25917 874 1 7 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.300 -3.464 25917 875 1 7 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.784 -2.921 25917 876 1 7 . 1 1 12 12 GLU H H 12 8.239 8.239 8.198 0.041 25917 877 1 7 . 1 1 13 13 ARG N N 13 116.195 116.195 120.505 -4.310 25917 878 1 7 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.377 0.180 25917 879 1 7 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.281 -3.288 25917 880 1 7 . 1 1 13 13 ARG CB C 13 26.776 26.776 30.096 -3.320 25917 881 1 7 . 1 1 13 13 ARG H H 13 8.194 8.194 7.888 0.306 25917 882 1 7 . 1 1 14 14 LYS N N 14 121.150 121.150 123.977 -2.827 25917 883 1 7 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.675 -0.270 25917 884 1 7 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.945 -1.786 25917 885 1 7 . 1 1 14 14 LYS CB C 14 31.014 31.014 35.751 -4.737 25917 886 1 7 . 1 1 14 14 LYS H H 14 7.969 7.969 8.338 -0.369 25917 887 1 7 . 1 1 15 15 CYS N N 15 119.435 119.435 119.908 -0.473 25917 888 1 7 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.645 0.292 25917 889 1 7 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.882 -5.789 25917 890 1 7 . 1 1 15 15 CYS CB C 15 38.004 38.004 26.001 12.003 25917 891 1 7 . 1 1 15 15 CYS H H 15 9.162 9.162 8.705 0.457 25917 892 1 7 . 1 1 16 16 CYS N N 16 120.864 120.864 124.260 -3.396 25917 893 1 7 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.327 0.228 25917 894 1 7 . 1 1 16 16 CYS CA C 16 51.362 51.362 59.907 -8.546 25917 895 1 7 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.291 9.942 25917 896 1 7 . 1 1 16 16 CYS H H 16 9.123 9.123 8.606 0.517 25917 897 1 7 . 1 1 17 17 GLU N N 17 118.077 118.077 118.863 -0.786 25917 898 1 7 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.952 0.131 25917 899 1 7 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.685 -1.845 25917 900 1 7 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.101 -3.203 25917 901 1 7 . 1 1 17 17 GLU H H 17 8.305 8.305 8.974 -0.669 25917 902 1 7 . 1 1 18 18 GLY N N 18 111.182 111.182 105.716 5.466 25917 903 1 7 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.548 -3.536 25917 904 1 7 . 1 1 18 18 GLY H H 18 8.861 8.861 8.399 0.462 25917 905 1 7 . 1 1 19 19 MET N N 19 117.827 117.827 118.254 -0.427 25917 906 1 7 . 1 1 19 19 MET HA H 19 5.097 5.097 4.720 0.377 25917 907 1 7 . 1 1 19 19 MET CA C 19 51.128 51.128 55.254 -4.125 25917 908 1 7 . 1 1 19 19 MET CB C 19 34.904 34.904 34.502 0.403 25917 909 1 7 . 1 1 19 19 MET H H 19 7.528 7.528 7.585 -0.057 25917 910 1 7 . 1 1 20 20 VAL N N 20 116.719 116.719 123.405 -6.686 25917 911 1 7 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.178 0.295 25917 912 1 7 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.477 -5.026 25917 913 1 7 . 1 1 20 20 VAL CB C 20 32.117 32.117 34.391 -2.273 25917 914 1 7 . 1 1 20 20 VAL H H 20 9.110 9.110 8.431 0.679 25917 915 1 7 . 1 1 21 21 CYS N N 21 122.699 122.699 129.490 -6.791 25917 916 1 7 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.721 0.087 25917 917 1 7 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.508 -6.999 25917 918 1 7 . 1 1 21 21 CYS CB C 21 37.078 37.078 25.798 11.280 25917 919 1 7 . 1 1 21 21 CYS H H 21 8.943 8.943 8.761 0.182 25917 920 1 7 . 1 1 22 22 ARG N N 22 134.904 134.904 126.267 8.637 25917 921 1 7 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.545 -0.023 25917 922 1 7 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.297 -2.721 25917 923 1 7 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.620 2.172 25917 924 1 7 . 1 1 22 22 ARG H H 22 8.248 8.248 8.178 0.070 25917 925 1 7 . 1 1 23 23 LEU N N 23 123.936 123.936 120.629 3.307 25917 926 1 7 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.041 -0.318 25917 927 1 7 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.375 2.387 25917 928 1 7 . 1 1 23 23 LEU CB C 23 37.343 37.343 42.071 -4.728 25917 929 1 7 . 1 1 23 23 LEU H H 23 8.108 8.108 8.231 -0.123 25917 930 1 7 . 1 1 24 24 TRP N N 24 123.699 123.699 116.880 6.819 25917 931 1 7 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.207 0.112 25917 932 1 7 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.170 -1.537 25917 933 1 7 . 1 1 24 24 TRP CB C 24 29.503 29.503 31.563 -2.060 25917 934 1 7 . 1 1 24 24 TRP H H 24 8.115 8.115 7.733 0.382 25917 935 1 7 . 1 1 25 25 CYS N N 25 118.684 118.684 124.173 -5.489 25917 936 1 7 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.049 -0.134 25917 937 1 7 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.095 -5.439 25917 938 1 7 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.579 9.685 25917 939 1 7 . 1 1 25 25 CYS H H 25 8.671 8.671 9.160 -0.489 25917 940 1 7 . 1 1 26 26 LYS N N 26 124.865 124.865 123.397 1.468 25917 941 1 7 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.876 0.097 25917 942 1 7 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.459 -3.355 25917 943 1 7 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.343 -4.456 25917 944 1 7 . 1 1 26 26 LYS H H 26 9.316 9.316 8.222 1.094 25917 945 1 7 . 1 1 27 27 LYS N N 27 119.792 119.792 120.889 -1.097 25917 946 1 7 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.547 -0.244 25917 947 1 7 . 1 1 27 27 LYS C C 27 54.469 54.469 176.997 -122.528 25917 948 1 7 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.836 -3.476 25917 949 1 7 . 1 1 27 27 LYS H H 27 8.461 8.461 8.588 -0.127 25917 950 1 7 . 1 1 28 28 LYS N N 28 122.343 122.343 123.090 -0.747 25917 951 1 7 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.447 -0.341 25917 952 1 7 . 1 1 28 28 LYS CA C 28 53.883 53.883 55.243 -1.360 25917 953 1 7 . 1 1 28 28 LYS CB C 28 30.390 30.390 30.888 -0.498 25917 954 1 7 . 1 1 28 28 LYS H H 28 8.157 8.157 8.968 -0.811 25917 955 1 7 . 1 1 29 29 LEU N N 29 118.006 118.006 127.364 -9.358 25917 956 1 7 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.408 -0.088 25917 957 1 7 . 1 1 29 29 LEU CA C 29 52.134 52.134 54.803 -2.669 25917 958 1 7 . 1 1 29 29 LEU CB C 29 26.262 26.262 41.532 -15.270 25917 959 1 7 . 1 1 29 29 LEU H H 29 8.290 8.290 8.255 0.035 25917 960 1 8 . 1 1 2 2 CYS N N 2 117.668 117.668 121.853 -4.185 25917 961 1 8 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.591 0.503 25917 962 1 8 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.215 -6.410 25917 963 1 8 . 1 1 2 2 CYS CB C 2 40.451 40.451 28.926 11.525 25917 964 1 8 . 1 1 2 2 CYS H H 2 8.171 8.171 7.508 0.663 25917 965 1 8 . 1 1 3 3 GLN N N 3 117.434 117.434 122.491 -5.057 25917 966 1 8 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.480 1.037 25917 967 1 8 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.633 -2.622 25917 968 1 8 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.489 0.481 25917 969 1 8 . 1 1 3 3 GLN H H 3 9.221 9.221 8.541 0.680 25917 970 1 8 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.230 -0.522 25917 971 1 8 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.526 -3.020 25917 972 1 8 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.752 -2.767 25917 973 1 8 . 1 1 4 4 LYS H H 4 5.270 5.270 6.610 -1.340 25917 974 1 8 . 1 1 5 5 TRP N N 5 118.577 118.577 124.171 -5.594 25917 975 1 8 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.179 0.138 25917 976 1 8 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.566 -2.975 25917 977 1 8 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.871 -3.239 25917 978 1 8 . 1 1 5 5 TRP H H 5 7.941 7.941 8.287 -0.346 25917 979 1 8 . 1 1 6 6 MET N N 6 118.041 118.041 118.706 -0.665 25917 980 1 8 . 1 1 6 6 MET HA H 6 3.924 3.924 5.135 -1.211 25917 981 1 8 . 1 1 6 6 MET CA C 6 53.883 53.883 56.782 -2.899 25917 982 1 8 . 1 1 6 6 MET CB C 6 27.846 27.846 31.856 -4.010 25917 983 1 8 . 1 1 6 6 MET H H 6 9.139 9.139 8.539 0.600 25917 984 1 8 . 1 1 7 7 TRP N N 7 121.757 121.757 125.389 -3.632 25917 985 1 8 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.251 -0.176 25917 986 1 8 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.479 -3.366 25917 987 1 8 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.681 -6.762 25917 988 1 8 . 1 1 7 7 TRP H H 7 8.676 8.676 8.463 0.213 25917 989 1 8 . 1 1 8 8 THR N N 8 112.611 112.611 111.930 0.681 25917 990 1 8 . 1 1 8 8 THR HA H 8 4.576 4.576 4.719 -0.143 25917 991 1 8 . 1 1 8 8 THR CA C 8 60.134 60.134 60.746 -0.612 25917 992 1 8 . 1 1 8 8 THR CB C 8 67.139 67.139 70.667 -3.528 25917 993 1 8 . 1 1 8 8 THR H H 8 8.533 8.533 8.426 0.107 25917 994 1 8 . 1 1 9 9 CYS N N 9 116.041 116.041 118.502 -2.461 25917 995 1 8 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.798 0.400 25917 996 1 8 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.289 -6.374 25917 997 1 8 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.422 15.006 25917 998 1 8 . 1 1 9 9 CYS H H 9 7.841 7.841 8.659 -0.818 25917 999 1 8 . 1 1 10 10 ASP N N 10 118.399 118.399 119.973 -1.574 25917 1000 1 8 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.904 -0.471 25917 1001 1 8 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.672 -2.450 25917 1002 1 8 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.635 -6.619 25917 1003 1 8 . 1 1 10 10 ASP H H 10 8.744 8.744 8.681 0.063 25917 1004 1 8 . 1 1 11 11 SER N N 11 112.253 112.253 113.572 -1.319 25917 1005 1 8 . 1 1 11 11 SER HA H 11 4.124 4.124 4.384 -0.260 25917 1006 1 8 . 1 1 11 11 SER CA C 11 59.020 59.020 60.340 -1.320 25917 1007 1 8 . 1 1 11 11 SER CB C 11 60.066 60.066 63.634 -3.568 25917 1008 1 8 . 1 1 11 11 SER H H 11 8.424 8.424 8.447 -0.023 25917 1009 1 8 . 1 1 12 12 GLU N N 12 124.186 124.186 120.574 3.612 25917 1010 1 8 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.291 0.190 25917 1011 1 8 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.561 -3.725 25917 1012 1 8 . 1 1 12 12 GLU CB C 12 26.863 26.863 30.385 -3.522 25917 1013 1 8 . 1 1 12 12 GLU H H 12 8.239 8.239 8.021 0.218 25917 1014 1 8 . 1 1 13 13 ARG N N 13 116.195 116.195 121.662 -5.467 25917 1015 1 8 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.306 0.251 25917 1016 1 8 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.709 -3.717 25917 1017 1 8 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.438 -2.662 25917 1018 1 8 . 1 1 13 13 ARG H H 13 8.194 8.194 8.150 0.044 25917 1019 1 8 . 1 1 14 14 LYS N N 14 121.150 121.150 125.440 -4.290 25917 1020 1 8 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.635 -0.230 25917 1021 1 8 . 1 1 14 14 LYS CA C 14 53.159 53.159 55.046 -1.887 25917 1022 1 8 . 1 1 14 14 LYS CB C 14 31.014 31.014 35.225 -4.211 25917 1023 1 8 . 1 1 14 14 LYS H H 14 7.969 7.969 8.129 -0.160 25917 1024 1 8 . 1 1 15 15 CYS N N 15 119.435 119.435 121.877 -2.442 25917 1025 1 8 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.700 0.237 25917 1026 1 8 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.889 -5.796 25917 1027 1 8 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.073 12.931 25917 1028 1 8 . 1 1 15 15 CYS H H 15 9.162 9.162 8.724 0.438 25917 1029 1 8 . 1 1 16 16 CYS N N 16 120.864 120.864 125.182 -4.318 25917 1030 1 8 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.327 0.228 25917 1031 1 8 . 1 1 16 16 CYS CA C 16 51.362 51.362 61.890 -10.528 25917 1032 1 8 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.563 9.670 25917 1033 1 8 . 1 1 16 16 CYS H H 16 9.123 9.123 8.937 0.186 25917 1034 1 8 . 1 1 17 17 GLU N N 17 118.077 118.077 119.612 -1.535 25917 1035 1 8 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.944 0.139 25917 1036 1 8 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.912 -2.072 25917 1037 1 8 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.886 -2.988 25917 1038 1 8 . 1 1 17 17 GLU H H 17 8.305 8.305 8.991 -0.686 25917 1039 1 8 . 1 1 18 18 GLY N N 18 111.182 111.182 106.066 5.116 25917 1040 1 8 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.630 -3.618 25917 1041 1 8 . 1 1 18 18 GLY H H 18 8.861 8.861 8.138 0.723 25917 1042 1 8 . 1 1 19 19 MET N N 19 117.827 117.827 117.918 -0.091 25917 1043 1 8 . 1 1 19 19 MET HA H 19 5.097 5.097 4.608 0.489 25917 1044 1 8 . 1 1 19 19 MET CA C 19 51.128 51.128 55.177 -4.049 25917 1045 1 8 . 1 1 19 19 MET CB C 19 34.904 34.904 34.956 -0.052 25917 1046 1 8 . 1 1 19 19 MET H H 19 7.528 7.528 7.504 0.024 25917 1047 1 8 . 1 1 20 20 VAL N N 20 116.719 116.719 116.510 0.209 25917 1048 1 8 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.414 0.059 25917 1049 1 8 . 1 1 20 20 VAL CA C 20 56.451 56.451 60.238 -3.787 25917 1050 1 8 . 1 1 20 20 VAL CB C 20 32.117 32.117 33.238 -1.121 25917 1051 1 8 . 1 1 20 20 VAL H H 20 9.110 9.110 8.503 0.607 25917 1052 1 8 . 1 1 21 21 CYS N N 21 122.699 122.699 126.823 -4.124 25917 1053 1 8 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.797 0.011 25917 1054 1 8 . 1 1 21 21 CYS CA C 21 52.509 52.509 58.861 -6.351 25917 1055 1 8 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.213 10.865 25917 1056 1 8 . 1 1 21 21 CYS H H 21 8.943 8.943 8.772 0.171 25917 1057 1 8 . 1 1 22 22 ARG N N 22 134.904 134.904 127.093 7.811 25917 1058 1 8 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.581 -0.059 25917 1059 1 8 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.400 -2.824 25917 1060 1 8 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.816 1.976 25917 1061 1 8 . 1 1 22 22 ARG H H 22 8.248 8.248 7.966 0.282 25917 1062 1 8 . 1 1 23 23 LEU N N 23 123.936 123.936 120.560 3.376 25917 1063 1 8 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.978 -0.255 25917 1064 1 8 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.511 2.251 25917 1065 1 8 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.847 -4.505 25917 1066 1 8 . 1 1 23 23 LEU H H 23 8.108 8.108 8.315 -0.207 25917 1067 1 8 . 1 1 24 24 TRP N N 24 123.699 123.699 116.427 7.272 25917 1068 1 8 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.282 0.037 25917 1069 1 8 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.056 -1.423 25917 1070 1 8 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.608 -3.105 25917 1071 1 8 . 1 1 24 24 TRP H H 24 8.115 8.115 7.750 0.365 25917 1072 1 8 . 1 1 25 25 CYS N N 25 118.684 118.684 121.947 -3.263 25917 1073 1 8 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.435 -0.520 25917 1074 1 8 . 1 1 25 25 CYS CA C 25 53.656 53.656 58.450 -4.793 25917 1075 1 8 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.698 9.566 25917 1076 1 8 . 1 1 25 25 CYS H H 25 8.671 8.671 9.361 -0.690 25917 1077 1 8 . 1 1 26 26 LYS N N 26 124.865 124.865 123.831 1.034 25917 1078 1 8 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.871 0.102 25917 1079 1 8 . 1 1 26 26 LYS CA C 26 52.104 52.104 54.972 -2.868 25917 1080 1 8 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.154 -4.267 25917 1081 1 8 . 1 1 26 26 LYS H H 26 9.316 9.316 8.169 1.147 25917 1082 1 8 . 1 1 27 27 LYS N N 27 119.792 119.792 122.017 -2.225 25917 1083 1 8 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.216 0.087 25917 1084 1 8 . 1 1 27 27 LYS C C 27 54.469 54.469 176.121 -121.652 25917 1085 1 8 . 1 1 27 27 LYS CB C 27 30.360 30.360 32.679 -2.319 25917 1086 1 8 . 1 1 27 27 LYS H H 27 8.461 8.461 8.310 0.151 25917 1087 1 8 . 1 1 28 28 LYS N N 28 122.343 122.343 122.371 -0.028 25917 1088 1 8 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.230 -0.124 25917 1089 1 8 . 1 1 28 28 LYS CA C 28 53.883 53.883 55.995 -2.112 25917 1090 1 8 . 1 1 28 28 LYS CB C 28 30.390 30.390 32.442 -2.052 25917 1091 1 8 . 1 1 28 28 LYS H H 28 8.157 8.157 8.359 -0.202 25917 1092 1 8 . 1 1 29 29 LEU N N 29 118.006 118.006 123.880 -5.874 25917 1093 1 8 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.339 -0.019 25917 1094 1 8 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.092 -2.958 25917 1095 1 8 . 1 1 29 29 LEU CB C 29 26.262 26.262 41.572 -15.310 25917 1096 1 8 . 1 1 29 29 LEU H H 29 8.290 8.290 8.193 0.097 25917 1097 1 9 . 1 1 2 2 CYS N N 2 117.668 117.668 118.289 -0.621 25917 1098 1 9 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.704 0.390 25917 1099 1 9 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.036 -6.231 25917 1100 1 9 . 1 1 2 2 CYS CB C 2 40.451 40.451 30.781 9.670 25917 1101 1 9 . 1 1 2 2 CYS H H 2 8.171 8.171 8.328 -0.157 25917 1102 1 9 . 1 1 3 3 GLN N N 3 117.434 117.434 122.001 -4.567 25917 1103 1 9 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.910 0.607 25917 1104 1 9 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.734 -2.723 25917 1105 1 9 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.808 0.162 25917 1106 1 9 . 1 1 3 3 GLN H H 3 9.221 9.221 8.662 0.559 25917 1107 1 9 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.229 -0.521 25917 1108 1 9 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.626 -3.119 25917 1109 1 9 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.588 -2.603 25917 1110 1 9 . 1 1 4 4 LYS H H 4 5.270 5.270 6.845 -1.575 25917 1111 1 9 . 1 1 5 5 TRP N N 5 118.577 118.577 124.196 -5.619 25917 1112 1 9 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.181 0.136 25917 1113 1 9 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.295 -2.704 25917 1114 1 9 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.769 -3.137 25917 1115 1 9 . 1 1 5 5 TRP H H 5 7.941 7.941 8.332 -0.391 25917 1116 1 9 . 1 1 6 6 MET N N 6 118.041 118.041 119.143 -1.102 25917 1117 1 9 . 1 1 6 6 MET HA H 6 3.924 3.924 5.207 -1.283 25917 1118 1 9 . 1 1 6 6 MET CA C 6 53.883 53.883 56.851 -2.968 25917 1119 1 9 . 1 1 6 6 MET CB C 6 27.846 27.846 32.136 -4.290 25917 1120 1 9 . 1 1 6 6 MET H H 6 9.139 9.139 8.615 0.524 25917 1121 1 9 . 1 1 7 7 TRP N N 7 121.757 121.757 125.154 -3.397 25917 1122 1 9 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.189 -0.115 25917 1123 1 9 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.077 -2.964 25917 1124 1 9 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.275 -6.356 25917 1125 1 9 . 1 1 7 7 TRP H H 7 8.676 8.676 8.282 0.394 25917 1126 1 9 . 1 1 8 8 THR N N 8 112.611 112.611 113.666 -1.055 25917 1127 1 9 . 1 1 8 8 THR HA H 8 4.576 4.576 4.560 0.016 25917 1128 1 9 . 1 1 8 8 THR CA C 8 60.134 60.134 61.242 -1.108 25917 1129 1 9 . 1 1 8 8 THR CB C 8 67.139 67.139 69.969 -2.830 25917 1130 1 9 . 1 1 8 8 THR H H 8 8.533 8.533 8.403 0.130 25917 1131 1 9 . 1 1 9 9 CYS N N 9 116.041 116.041 121.174 -5.133 25917 1132 1 9 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.841 0.357 25917 1133 1 9 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.641 -5.726 25917 1134 1 9 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.178 15.250 25917 1135 1 9 . 1 1 9 9 CYS H H 9 7.841 7.841 8.730 -0.889 25917 1136 1 9 . 1 1 10 10 ASP N N 10 118.399 118.399 119.514 -1.115 25917 1137 1 9 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.929 -0.496 25917 1138 1 9 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.088 -1.866 25917 1139 1 9 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.281 -6.265 25917 1140 1 9 . 1 1 10 10 ASP H H 10 8.744 8.744 8.510 0.234 25917 1141 1 9 . 1 1 11 11 SER N N 11 112.253 112.253 114.220 -1.967 25917 1142 1 9 . 1 1 11 11 SER HA H 11 4.124 4.124 4.411 -0.287 25917 1143 1 9 . 1 1 11 11 SER CA C 11 59.020 59.020 60.383 -1.363 25917 1144 1 9 . 1 1 11 11 SER CB C 11 60.066 60.066 63.535 -3.469 25917 1145 1 9 . 1 1 11 11 SER H H 11 8.424 8.424 8.520 -0.096 25917 1146 1 9 . 1 1 12 12 GLU N N 12 124.186 124.186 119.648 4.538 25917 1147 1 9 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.258 0.223 25917 1148 1 9 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.274 -3.438 25917 1149 1 9 . 1 1 12 12 GLU CB C 12 26.863 26.863 30.525 -3.662 25917 1150 1 9 . 1 1 12 12 GLU H H 12 8.239 8.239 8.174 0.065 25917 1151 1 9 . 1 1 13 13 ARG N N 13 116.195 116.195 121.704 -5.509 25917 1152 1 9 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.263 0.294 25917 1153 1 9 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.793 -3.801 25917 1154 1 9 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.076 -2.300 25917 1155 1 9 . 1 1 13 13 ARG H H 13 8.194 8.194 8.230 -0.036 25917 1156 1 9 . 1 1 14 14 LYS N N 14 121.150 121.150 124.328 -3.178 25917 1157 1 9 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.681 -0.276 25917 1158 1 9 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.853 -1.694 25917 1159 1 9 . 1 1 14 14 LYS CB C 14 31.014 31.014 35.161 -4.147 25917 1160 1 9 . 1 1 14 14 LYS H H 14 7.969 7.969 8.044 -0.075 25917 1161 1 9 . 1 1 15 15 CYS N N 15 119.435 119.435 119.329 0.106 25917 1162 1 9 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.532 0.405 25917 1163 1 9 . 1 1 15 15 CYS CA C 15 53.093 53.093 59.073 -5.980 25917 1164 1 9 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.419 12.585 25917 1165 1 9 . 1 1 15 15 CYS H H 15 9.162 9.162 8.697 0.465 25917 1166 1 9 . 1 1 16 16 CYS N N 16 120.864 120.864 125.556 -4.692 25917 1167 1 9 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.230 0.325 25917 1168 1 9 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.554 -9.192 25917 1169 1 9 . 1 1 16 16 CYS CB C 16 37.233 37.233 26.764 10.470 25917 1170 1 9 . 1 1 16 16 CYS H H 16 9.123 9.123 8.707 0.416 25917 1171 1 9 . 1 1 17 17 GLU N N 17 118.077 118.077 119.726 -1.649 25917 1172 1 9 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.923 0.160 25917 1173 1 9 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.573 -1.733 25917 1174 1 9 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.291 -3.393 25917 1175 1 9 . 1 1 17 17 GLU H H 17 8.305 8.305 8.967 -0.662 25917 1176 1 9 . 1 1 18 18 GLY N N 18 111.182 111.182 105.549 5.633 25917 1177 1 9 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.439 -3.427 25917 1178 1 9 . 1 1 18 18 GLY H H 18 8.861 8.861 7.856 1.005 25917 1179 1 9 . 1 1 19 19 MET N N 19 117.827 117.827 118.158 -0.331 25917 1180 1 9 . 1 1 19 19 MET HA H 19 5.097 5.097 4.543 0.554 25917 1181 1 9 . 1 1 19 19 MET CA C 19 51.128 51.128 55.302 -4.174 25917 1182 1 9 . 1 1 19 19 MET CB C 19 34.904 34.904 34.476 0.428 25917 1183 1 9 . 1 1 19 19 MET H H 19 7.528 7.528 7.486 0.042 25917 1184 1 9 . 1 1 20 20 VAL N N 20 116.719 116.719 122.180 -5.461 25917 1185 1 9 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.064 0.409 25917 1186 1 9 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.881 -5.430 25917 1187 1 9 . 1 1 20 20 VAL CB C 20 32.117 32.117 31.215 0.902 25917 1188 1 9 . 1 1 20 20 VAL H H 20 9.110 9.110 8.649 0.461 25917 1189 1 9 . 1 1 21 21 CYS N N 21 122.699 122.699 129.715 -7.016 25917 1190 1 9 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.652 0.156 25917 1191 1 9 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.214 -6.705 25917 1192 1 9 . 1 1 21 21 CYS CB C 21 37.078 37.078 25.945 11.133 25917 1193 1 9 . 1 1 21 21 CYS H H 21 8.943 8.943 8.754 0.189 25917 1194 1 9 . 1 1 22 22 ARG N N 22 134.904 134.904 125.821 9.083 25917 1195 1 9 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.506 0.016 25917 1196 1 9 . 1 1 22 22 ARG CA C 22 52.576 52.576 54.816 -2.240 25917 1197 1 9 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.112 2.680 25917 1198 1 9 . 1 1 22 22 ARG H H 22 8.248 8.248 8.365 -0.117 25917 1199 1 9 . 1 1 23 23 LEU N N 23 123.936 123.936 121.398 2.538 25917 1200 1 9 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.868 -0.145 25917 1201 1 9 . 1 1 23 23 LEU CA C 23 58.762 58.762 57.256 1.506 25917 1202 1 9 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.975 -4.632 25917 1203 1 9 . 1 1 23 23 LEU H H 23 8.108 8.108 8.383 -0.275 25917 1204 1 9 . 1 1 24 24 TRP N N 24 123.699 123.699 114.494 9.205 25917 1205 1 9 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.271 0.048 25917 1206 1 9 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.700 -2.067 25917 1207 1 9 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.689 -3.186 25917 1208 1 9 . 1 1 24 24 TRP H H 24 8.115 8.115 7.311 0.804 25917 1209 1 9 . 1 1 25 25 CYS N N 25 118.684 118.684 121.210 -2.526 25917 1210 1 9 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.301 -0.386 25917 1211 1 9 . 1 1 25 25 CYS CA C 25 53.656 53.656 58.525 -4.869 25917 1212 1 9 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.968 9.296 25917 1213 1 9 . 1 1 25 25 CYS H H 25 8.671 8.671 9.230 -0.559 25917 1214 1 9 . 1 1 26 26 LYS N N 26 124.865 124.865 122.254 2.611 25917 1215 1 9 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.858 0.115 25917 1216 1 9 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.468 -3.364 25917 1217 1 9 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.017 -4.130 25917 1218 1 9 . 1 1 26 26 LYS H H 26 9.316 9.316 8.218 1.098 25917 1219 1 9 . 1 1 27 27 LYS N N 27 119.792 119.792 120.911 -1.119 25917 1220 1 9 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.076 0.227 25917 1221 1 9 . 1 1 27 27 LYS C C 27 54.469 54.469 176.427 -121.958 25917 1222 1 9 . 1 1 27 27 LYS CB C 27 30.360 30.360 32.359 -1.999 25917 1223 1 9 . 1 1 27 27 LYS H H 27 8.461 8.461 7.770 0.691 25917 1224 1 9 . 1 1 28 28 LYS N N 28 122.343 122.343 120.363 1.980 25917 1225 1 9 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.397 -0.291 25917 1226 1 9 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.134 -2.251 25917 1227 1 9 . 1 1 28 28 LYS CB C 28 30.390 30.390 32.630 -2.240 25917 1228 1 9 . 1 1 28 28 LYS H H 28 8.157 8.157 8.384 -0.227 25917 1229 1 9 . 1 1 29 29 LEU N N 29 118.006 118.006 124.327 -6.321 25917 1230 1 9 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.565 -0.245 25917 1231 1 9 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.271 -3.137 25917 1232 1 9 . 1 1 29 29 LEU CB C 29 26.262 26.262 42.020 -15.758 25917 1233 1 9 . 1 1 29 29 LEU H H 29 8.290 8.290 8.848 -0.558 25917 1234 1 10 . 1 1 2 2 CYS N N 2 117.668 117.668 117.866 -0.198 25917 1235 1 10 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.749 0.345 25917 1236 1 10 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.215 -6.410 25917 1237 1 10 . 1 1 2 2 CYS CB C 2 40.451 40.451 30.670 9.781 25917 1238 1 10 . 1 1 2 2 CYS H H 2 8.171 8.171 7.679 0.492 25917 1239 1 10 . 1 1 3 3 GLN N N 3 117.434 117.434 121.779 -4.345 25917 1240 1 10 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.930 0.587 25917 1241 1 10 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.811 -2.800 25917 1242 1 10 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.817 0.153 25917 1243 1 10 . 1 1 3 3 GLN H H 3 9.221 9.221 8.666 0.555 25917 1244 1 10 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.215 -0.507 25917 1245 1 10 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.521 -3.015 25917 1246 1 10 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.498 -2.513 25917 1247 1 10 . 1 1 4 4 LYS H H 4 5.270 5.270 6.958 -1.688 25917 1248 1 10 . 1 1 5 5 TRP N N 5 118.577 118.577 123.578 -5.001 25917 1249 1 10 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.178 0.139 25917 1250 1 10 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.419 -2.829 25917 1251 1 10 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.644 -3.012 25917 1252 1 10 . 1 1 5 5 TRP H H 5 7.941 7.941 8.381 -0.440 25917 1253 1 10 . 1 1 6 6 MET N N 6 118.041 118.041 118.641 -0.600 25917 1254 1 10 . 1 1 6 6 MET HA H 6 3.924 3.924 5.127 -1.203 25917 1255 1 10 . 1 1 6 6 MET CA C 6 53.883 53.883 56.857 -2.974 25917 1256 1 10 . 1 1 6 6 MET CB C 6 27.846 27.846 31.985 -4.139 25917 1257 1 10 . 1 1 6 6 MET H H 6 9.139 9.139 8.683 0.456 25917 1258 1 10 . 1 1 7 7 TRP N N 7 121.757 121.757 125.355 -3.598 25917 1259 1 10 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.262 -0.187 25917 1260 1 10 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.511 -3.398 25917 1261 1 10 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.604 -6.685 25917 1262 1 10 . 1 1 7 7 TRP H H 7 8.676 8.676 8.413 0.263 25917 1263 1 10 . 1 1 8 8 THR N N 8 112.611 112.611 112.617 -0.006 25917 1264 1 10 . 1 1 8 8 THR HA H 8 4.576 4.576 4.623 -0.047 25917 1265 1 10 . 1 1 8 8 THR CA C 8 60.134 60.134 61.324 -1.190 25917 1266 1 10 . 1 1 8 8 THR CB C 8 67.139 67.139 70.316 -3.177 25917 1267 1 10 . 1 1 8 8 THR H H 8 8.533 8.533 8.379 0.154 25917 1268 1 10 . 1 1 9 9 CYS N N 9 116.041 116.041 120.228 -4.187 25917 1269 1 10 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.703 0.495 25917 1270 1 10 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.214 -6.299 25917 1271 1 10 . 1 1 9 9 CYS CB C 9 45.428 45.428 29.879 15.549 25917 1272 1 10 . 1 1 9 9 CYS H H 9 7.841 7.841 8.625 -0.784 25917 1273 1 10 . 1 1 10 10 ASP N N 10 118.399 118.399 120.864 -2.465 25917 1274 1 10 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.925 -0.492 25917 1275 1 10 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.285 -2.063 25917 1276 1 10 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.688 -6.672 25917 1277 1 10 . 1 1 10 10 ASP H H 10 8.744 8.744 8.763 -0.019 25917 1278 1 10 . 1 1 11 11 SER N N 11 112.253 112.253 115.233 -2.980 25917 1279 1 10 . 1 1 11 11 SER HA H 11 4.124 4.124 4.304 -0.180 25917 1280 1 10 . 1 1 11 11 SER CA C 11 59.020 59.020 60.859 -1.839 25917 1281 1 10 . 1 1 11 11 SER CB C 11 60.066 60.066 63.284 -3.218 25917 1282 1 10 . 1 1 11 11 SER H H 11 8.424 8.424 8.459 -0.035 25917 1283 1 10 . 1 1 12 12 GLU N N 12 124.186 124.186 119.541 4.645 25917 1284 1 10 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.391 0.090 25917 1285 1 10 . 1 1 12 12 GLU CA C 12 53.836 53.836 55.894 -2.058 25917 1286 1 10 . 1 1 12 12 GLU CB C 12 26.863 26.863 30.201 -3.338 25917 1287 1 10 . 1 1 12 12 GLU H H 12 8.239 8.239 8.122 0.117 25917 1288 1 10 . 1 1 13 13 ARG N N 13 116.195 116.195 121.304 -5.109 25917 1289 1 10 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.345 0.212 25917 1290 1 10 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.513 -3.521 25917 1291 1 10 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.608 -2.833 25917 1292 1 10 . 1 1 13 13 ARG H H 13 8.194 8.194 7.947 0.247 25917 1293 1 10 . 1 1 14 14 LYS N N 14 121.150 121.150 125.340 -4.190 25917 1294 1 10 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.614 -0.209 25917 1295 1 10 . 1 1 14 14 LYS CA C 14 53.159 53.159 55.115 -1.956 25917 1296 1 10 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.801 -3.788 25917 1297 1 10 . 1 1 14 14 LYS H H 14 7.969 7.969 8.119 -0.150 25917 1298 1 10 . 1 1 15 15 CYS N N 15 119.435 119.435 121.780 -2.345 25917 1299 1 10 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.690 0.247 25917 1300 1 10 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.905 -5.812 25917 1301 1 10 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.126 12.878 25917 1302 1 10 . 1 1 15 15 CYS H H 15 9.162 9.162 8.708 0.454 25917 1303 1 10 . 1 1 16 16 CYS N N 16 120.864 120.864 124.785 -3.921 25917 1304 1 10 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.332 0.223 25917 1305 1 10 . 1 1 16 16 CYS CA C 16 51.362 51.362 61.039 -9.677 25917 1306 1 10 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.368 9.865 25917 1307 1 10 . 1 1 16 16 CYS H H 16 9.123 9.123 8.745 0.378 25917 1308 1 10 . 1 1 17 17 GLU N N 17 118.077 118.077 120.630 -2.553 25917 1309 1 10 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.944 0.139 25917 1310 1 10 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.678 -1.838 25917 1311 1 10 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.293 -3.395 25917 1312 1 10 . 1 1 17 17 GLU H H 17 8.305 8.305 8.982 -0.677 25917 1313 1 10 . 1 1 18 18 GLY N N 18 111.182 111.182 106.644 4.538 25917 1314 1 10 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.744 -3.732 25917 1315 1 10 . 1 1 18 18 GLY H H 18 8.861 8.861 8.060 0.801 25917 1316 1 10 . 1 1 19 19 MET N N 19 117.827 117.827 117.559 0.268 25917 1317 1 10 . 1 1 19 19 MET HA H 19 5.097 5.097 4.493 0.604 25917 1318 1 10 . 1 1 19 19 MET CA C 19 51.128 51.128 55.154 -4.026 25917 1319 1 10 . 1 1 19 19 MET CB C 19 34.904 34.904 34.503 0.401 25917 1320 1 10 . 1 1 19 19 MET H H 19 7.528 7.528 7.533 -0.005 25917 1321 1 10 . 1 1 20 20 VAL N N 20 116.719 116.719 120.956 -4.237 25917 1322 1 10 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.209 0.264 25917 1323 1 10 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.147 -4.696 25917 1324 1 10 . 1 1 20 20 VAL CB C 20 32.117 32.117 32.489 -0.372 25917 1325 1 10 . 1 1 20 20 VAL H H 20 9.110 9.110 8.372 0.738 25917 1326 1 10 . 1 1 21 21 CYS N N 21 122.699 122.699 128.064 -5.365 25917 1327 1 10 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.647 0.161 25917 1328 1 10 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.584 -7.075 25917 1329 1 10 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.823 10.255 25917 1330 1 10 . 1 1 21 21 CYS H H 21 8.943 8.943 8.744 0.199 25917 1331 1 10 . 1 1 22 22 ARG N N 22 134.904 134.904 126.172 8.732 25917 1332 1 10 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.524 -0.002 25917 1333 1 10 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.402 -2.826 25917 1334 1 10 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.417 2.375 25917 1335 1 10 . 1 1 22 22 ARG H H 22 8.248 8.248 8.193 0.055 25917 1336 1 10 . 1 1 23 23 LEU N N 23 123.936 123.936 120.877 3.059 25917 1337 1 10 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.997 -0.274 25917 1338 1 10 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.781 1.981 25917 1339 1 10 . 1 1 23 23 LEU CB C 23 37.343 37.343 42.023 -4.680 25917 1340 1 10 . 1 1 23 23 LEU H H 23 8.108 8.108 8.256 -0.148 25917 1341 1 10 . 1 1 24 24 TRP N N 24 123.699 123.699 116.985 6.714 25917 1342 1 10 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.245 0.074 25917 1343 1 10 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.283 -1.651 25917 1344 1 10 . 1 1 24 24 TRP CB C 24 29.503 29.503 31.913 -2.410 25917 1345 1 10 . 1 1 24 24 TRP H H 24 8.115 8.115 7.822 0.293 25917 1346 1 10 . 1 1 25 25 CYS N N 25 118.684 118.684 123.532 -4.848 25917 1347 1 10 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.186 -0.271 25917 1348 1 10 . 1 1 25 25 CYS CA C 25 53.656 53.656 58.598 -4.942 25917 1349 1 10 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.386 9.878 25917 1350 1 10 . 1 1 25 25 CYS H H 25 8.671 8.671 9.268 -0.597 25917 1351 1 10 . 1 1 26 26 LYS N N 26 124.865 124.865 123.514 1.351 25917 1352 1 10 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.771 0.202 25917 1353 1 10 . 1 1 26 26 LYS CA C 26 52.104 52.104 54.953 -2.849 25917 1354 1 10 . 1 1 26 26 LYS CB C 26 32.887 32.887 36.911 -4.024 25917 1355 1 10 . 1 1 26 26 LYS H H 26 9.316 9.316 8.494 0.822 25917 1356 1 10 . 1 1 27 27 LYS N N 27 119.792 119.792 120.606 -0.814 25917 1357 1 10 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.094 0.209 25917 1358 1 10 . 1 1 27 27 LYS C C 27 54.469 54.469 176.170 -121.701 25917 1359 1 10 . 1 1 27 27 LYS CB C 27 30.360 30.360 32.611 -2.251 25917 1360 1 10 . 1 1 27 27 LYS H H 27 8.461 8.461 7.747 0.714 25917 1361 1 10 . 1 1 28 28 LYS N N 28 122.343 122.343 120.690 1.653 25917 1362 1 10 . 1 1 28 28 LYS HA H 28 4.106 4.106 3.912 0.194 25917 1363 1 10 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.004 -2.121 25917 1364 1 10 . 1 1 28 28 LYS CB C 28 30.390 30.390 32.538 -2.147 25917 1365 1 10 . 1 1 28 28 LYS H H 28 8.157 8.157 8.189 -0.032 25917 1366 1 10 . 1 1 29 29 LEU N N 29 118.006 118.006 124.946 -6.940 25917 1367 1 10 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.340 -0.020 25917 1368 1 10 . 1 1 29 29 LEU CA C 29 52.134 52.134 53.657 -1.523 25917 1369 1 10 . 1 1 29 29 LEU CB C 29 26.262 26.262 42.612 -16.350 25917 1370 1 10 . 1 1 29 29 LEU H H 29 8.290 8.290 8.081 0.209 25917 1371 1 11 . 1 1 2 2 CYS N N 2 117.668 117.668 120.647 -2.979 25917 1372 1 11 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.840 0.254 25917 1373 1 11 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.523 -5.718 25917 1374 1 11 . 1 1 2 2 CYS CB C 2 40.451 40.451 28.702 11.749 25917 1375 1 11 . 1 1 2 2 CYS H H 2 8.171 8.171 7.886 0.285 25917 1376 1 11 . 1 1 3 3 GLN N N 3 117.434 117.434 127.479 -10.045 25917 1377 1 11 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.538 0.979 25917 1378 1 11 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.236 -2.225 25917 1379 1 11 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.517 0.453 25917 1380 1 11 . 1 1 3 3 GLN H H 3 9.221 9.221 8.273 0.948 25917 1381 1 11 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.307 -0.599 25917 1382 1 11 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.700 -3.194 25917 1383 1 11 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.701 -2.716 25917 1384 1 11 . 1 1 4 4 LYS H H 4 5.270 5.270 6.688 -1.418 25917 1385 1 11 . 1 1 5 5 TRP N N 5 118.577 118.577 125.150 -6.573 25917 1386 1 11 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.189 0.128 25917 1387 1 11 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.543 -2.952 25917 1388 1 11 . 1 1 5 5 TRP CB C 5 25.632 25.632 29.047 -3.415 25917 1389 1 11 . 1 1 5 5 TRP H H 5 7.941 7.941 8.112 -0.171 25917 1390 1 11 . 1 1 6 6 MET N N 6 118.041 118.041 118.581 -0.540 25917 1391 1 11 . 1 1 6 6 MET HA H 6 3.924 3.924 4.724 -0.800 25917 1392 1 11 . 1 1 6 6 MET CA C 6 53.883 53.883 56.646 -2.763 25917 1393 1 11 . 1 1 6 6 MET CB C 6 27.846 27.846 31.345 -3.499 25917 1394 1 11 . 1 1 6 6 MET H H 6 9.139 9.139 7.433 1.706 25917 1395 1 11 . 1 1 7 7 TRP N N 7 121.757 121.757 124.872 -3.115 25917 1396 1 11 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.127 -0.052 25917 1397 1 11 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.255 -3.142 25917 1398 1 11 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.726 -6.807 25917 1399 1 11 . 1 1 7 7 TRP H H 7 8.676 8.676 8.250 0.426 25917 1400 1 11 . 1 1 8 8 THR N N 8 112.611 112.611 113.707 -1.096 25917 1401 1 11 . 1 1 8 8 THR HA H 8 4.576 4.576 4.518 0.058 25917 1402 1 11 . 1 1 8 8 THR CA C 8 60.134 60.134 61.310 -1.176 25917 1403 1 11 . 1 1 8 8 THR CB C 8 67.139 67.139 69.905 -2.766 25917 1404 1 11 . 1 1 8 8 THR H H 8 8.533 8.533 8.349 0.184 25917 1405 1 11 . 1 1 9 9 CYS N N 9 116.041 116.041 122.323 -6.282 25917 1406 1 11 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.759 0.439 25917 1407 1 11 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.871 -5.956 25917 1408 1 11 . 1 1 9 9 CYS CB C 9 45.428 45.428 29.868 15.560 25917 1409 1 11 . 1 1 9 9 CYS H H 9 7.841 7.841 8.662 -0.821 25917 1410 1 11 . 1 1 10 10 ASP N N 10 118.399 118.399 120.107 -1.708 25917 1411 1 11 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.837 -0.404 25917 1412 1 11 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.203 -1.981 25917 1413 1 11 . 1 1 10 10 ASP CB C 10 37.016 37.016 42.871 -5.855 25917 1414 1 11 . 1 1 10 10 ASP H H 10 8.744 8.744 8.362 0.382 25917 1415 1 11 . 1 1 11 11 SER N N 11 112.253 112.253 114.609 -2.356 25917 1416 1 11 . 1 1 11 11 SER HA H 11 4.124 4.124 4.362 -0.238 25917 1417 1 11 . 1 1 11 11 SER CA C 11 59.020 59.020 60.789 -1.769 25917 1418 1 11 . 1 1 11 11 SER CB C 11 60.066 60.066 63.327 -3.261 25917 1419 1 11 . 1 1 11 11 SER H H 11 8.424 8.424 8.438 -0.014 25917 1420 1 11 . 1 1 12 12 GLU N N 12 124.186 124.186 120.454 3.732 25917 1421 1 11 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.379 0.102 25917 1422 1 11 . 1 1 12 12 GLU CA C 12 53.836 53.836 56.905 -3.069 25917 1423 1 11 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.777 -2.914 25917 1424 1 11 . 1 1 12 12 GLU H H 12 8.239 8.239 8.208 0.031 25917 1425 1 11 . 1 1 13 13 ARG N N 13 116.195 116.195 121.288 -5.093 25917 1426 1 11 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.248 0.309 25917 1427 1 11 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.852 -3.860 25917 1428 1 11 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.245 -2.470 25917 1429 1 11 . 1 1 13 13 ARG H H 13 8.194 8.194 8.395 -0.201 25917 1430 1 11 . 1 1 14 14 LYS N N 14 121.150 121.150 124.589 -3.439 25917 1431 1 11 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.573 -0.168 25917 1432 1 11 . 1 1 14 14 LYS CA C 14 53.159 53.159 55.205 -2.046 25917 1433 1 11 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.670 -3.656 25917 1434 1 11 . 1 1 14 14 LYS H H 14 7.969 7.969 8.147 -0.178 25917 1435 1 11 . 1 1 15 15 CYS N N 15 119.435 119.435 119.769 -0.334 25917 1436 1 11 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.578 0.359 25917 1437 1 11 . 1 1 15 15 CYS CA C 15 53.093 53.093 59.097 -6.004 25917 1438 1 11 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.822 12.182 25917 1439 1 11 . 1 1 15 15 CYS H H 15 9.162 9.162 8.694 0.468 25917 1440 1 11 . 1 1 16 16 CYS N N 16 120.864 120.864 123.887 -3.023 25917 1441 1 11 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.330 0.225 25917 1442 1 11 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.546 -9.184 25917 1443 1 11 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.648 9.585 25917 1444 1 11 . 1 1 16 16 CYS H H 16 9.123 9.123 8.961 0.162 25917 1445 1 11 . 1 1 17 17 GLU N N 17 118.077 118.077 118.120 -0.043 25917 1446 1 11 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.915 0.168 25917 1447 1 11 . 1 1 17 17 GLU CA C 17 54.840 54.840 57.570 -2.730 25917 1448 1 11 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.017 -2.119 25917 1449 1 11 . 1 1 17 17 GLU H H 17 8.305 8.305 9.075 -0.770 25917 1450 1 11 . 1 1 18 18 GLY N N 18 111.182 111.182 106.050 5.132 25917 1451 1 11 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.370 -3.358 25917 1452 1 11 . 1 1 18 18 GLY H H 18 8.861 8.861 8.051 0.810 25917 1453 1 11 . 1 1 19 19 MET N N 19 117.827 117.827 117.568 0.259 25917 1454 1 11 . 1 1 19 19 MET HA H 19 5.097 5.097 4.609 0.488 25917 1455 1 11 . 1 1 19 19 MET CA C 19 51.128 51.128 55.216 -4.088 25917 1456 1 11 . 1 1 19 19 MET CB C 19 34.904 34.904 34.968 -0.064 25917 1457 1 11 . 1 1 19 19 MET H H 19 7.528 7.528 7.544 -0.016 25917 1458 1 11 . 1 1 20 20 VAL N N 20 116.719 116.719 121.084 -4.365 25917 1459 1 11 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.373 0.100 25917 1460 1 11 . 1 1 20 20 VAL CA C 20 56.451 56.451 60.413 -3.962 25917 1461 1 11 . 1 1 20 20 VAL CB C 20 32.117 32.117 33.457 -1.340 25917 1462 1 11 . 1 1 20 20 VAL H H 20 9.110 9.110 8.449 0.661 25917 1463 1 11 . 1 1 21 21 CYS N N 21 122.699 122.699 128.556 -5.857 25917 1464 1 11 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.644 0.164 25917 1465 1 11 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.457 -6.948 25917 1466 1 11 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.718 10.360 25917 1467 1 11 . 1 1 21 21 CYS H H 21 8.943 8.943 8.910 0.033 25917 1468 1 11 . 1 1 22 22 ARG N N 22 134.904 134.904 126.424 8.480 25917 1469 1 11 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.471 0.051 25917 1470 1 11 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.739 -3.163 25917 1471 1 11 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.387 2.405 25917 1472 1 11 . 1 1 22 22 ARG H H 22 8.248 8.248 8.338 -0.090 25917 1473 1 11 . 1 1 23 23 LEU N N 23 123.936 123.936 120.715 3.221 25917 1474 1 11 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.977 -0.254 25917 1475 1 11 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.414 2.348 25917 1476 1 11 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.991 -4.648 25917 1477 1 11 . 1 1 23 23 LEU H H 23 8.108 8.108 8.277 -0.169 25917 1478 1 11 . 1 1 24 24 TRP N N 24 123.699 123.699 116.297 7.402 25917 1479 1 11 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.192 0.127 25917 1480 1 11 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.144 -1.511 25917 1481 1 11 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.212 -2.709 25917 1482 1 11 . 1 1 24 24 TRP H H 24 8.115 8.115 7.702 0.413 25917 1483 1 11 . 1 1 25 25 CYS N N 25 118.684 118.684 122.864 -4.180 25917 1484 1 11 . 1 1 25 25 CYS HA H 25 4.915 4.915 4.959 -0.044 25917 1485 1 11 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.127 -5.471 25917 1486 1 11 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.276 9.988 25917 1487 1 11 . 1 1 25 25 CYS H H 25 8.671 8.671 9.145 -0.474 25917 1488 1 11 . 1 1 26 26 LYS N N 26 124.865 124.865 123.628 1.237 25917 1489 1 11 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.945 0.028 25917 1490 1 11 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.236 -3.132 25917 1491 1 11 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.371 -4.484 25917 1492 1 11 . 1 1 26 26 LYS H H 26 9.316 9.316 8.352 0.964 25917 1493 1 11 . 1 1 27 27 LYS N N 27 119.792 119.792 121.658 -1.866 25917 1494 1 11 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.444 -0.141 25917 1495 1 11 . 1 1 27 27 LYS C C 27 54.469 54.469 176.701 -122.232 25917 1496 1 11 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.228 -2.869 25917 1497 1 11 . 1 1 27 27 LYS H H 27 8.461 8.461 8.704 -0.243 25917 1498 1 11 . 1 1 28 28 LYS N N 28 122.343 122.343 123.228 -0.885 25917 1499 1 11 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.248 -0.142 25917 1500 1 11 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.845 -2.962 25917 1501 1 11 . 1 1 28 28 LYS CB C 28 30.390 30.390 31.802 -1.412 25917 1502 1 11 . 1 1 28 28 LYS H H 28 8.157 8.157 8.590 -0.433 25917 1503 1 11 . 1 1 29 29 LEU N N 29 118.006 118.006 126.928 -8.922 25917 1504 1 11 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.354 -0.034 25917 1505 1 11 . 1 1 29 29 LEU CA C 29 52.134 52.134 56.607 -4.473 25917 1506 1 11 . 1 1 29 29 LEU CB C 29 26.262 26.262 42.955 -16.693 25917 1507 1 11 . 1 1 29 29 LEU H H 29 8.290 8.290 8.718 -0.428 25917 1508 1 12 . 1 1 2 2 CYS N N 2 117.668 117.668 119.611 -1.943 25917 1509 1 12 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.600 0.494 25917 1510 1 12 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.147 -6.342 25917 1511 1 12 . 1 1 2 2 CYS CB C 2 40.451 40.451 30.257 10.194 25917 1512 1 12 . 1 1 2 2 CYS H H 2 8.171 8.171 7.850 0.321 25917 1513 1 12 . 1 1 3 3 GLN N N 3 117.434 117.434 121.406 -3.972 25917 1514 1 12 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.085 1.432 25917 1515 1 12 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.059 -2.048 25917 1516 1 12 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.829 0.141 25917 1517 1 12 . 1 1 3 3 GLN H H 3 9.221 9.221 8.293 0.928 25917 1518 1 12 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.274 -0.566 25917 1519 1 12 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.563 -3.058 25917 1520 1 12 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.684 -2.699 25917 1521 1 12 . 1 1 4 4 LYS H H 4 5.270 5.270 6.693 -1.423 25917 1522 1 12 . 1 1 5 5 TRP N N 5 118.577 118.577 125.161 -6.584 25917 1523 1 12 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.160 0.157 25917 1524 1 12 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.594 -3.003 25917 1525 1 12 . 1 1 5 5 TRP CB C 5 25.632 25.632 29.014 -3.382 25917 1526 1 12 . 1 1 5 5 TRP H H 5 7.941 7.941 8.203 -0.262 25917 1527 1 12 . 1 1 6 6 MET N N 6 118.041 118.041 118.326 -0.285 25917 1528 1 12 . 1 1 6 6 MET HA H 6 3.924 3.924 4.594 -0.670 25917 1529 1 12 . 1 1 6 6 MET CA C 6 53.883 53.883 56.528 -2.644 25917 1530 1 12 . 1 1 6 6 MET CB C 6 27.846 27.846 31.173 -3.327 25917 1531 1 12 . 1 1 6 6 MET H H 6 9.139 9.139 7.066 2.073 25917 1532 1 12 . 1 1 7 7 TRP N N 7 121.757 121.757 125.093 -3.336 25917 1533 1 12 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.188 -0.113 25917 1534 1 12 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.217 -3.104 25917 1535 1 12 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.743 -6.824 25917 1536 1 12 . 1 1 7 7 TRP H H 7 8.676 8.676 8.299 0.377 25917 1537 1 12 . 1 1 8 8 THR N N 8 112.611 112.611 112.539 0.072 25917 1538 1 12 . 1 1 8 8 THR HA H 8 4.576 4.576 4.605 -0.029 25917 1539 1 12 . 1 1 8 8 THR CA C 8 60.134 60.134 61.012 -0.878 25917 1540 1 12 . 1 1 8 8 THR CB C 8 67.139 67.139 70.064 -2.925 25917 1541 1 12 . 1 1 8 8 THR H H 8 8.533 8.533 8.395 0.138 25917 1542 1 12 . 1 1 9 9 CYS N N 9 116.041 116.041 120.321 -4.280 25917 1543 1 12 . 1 1 9 9 CYS HA H 9 5.198 5.198 5.012 0.186 25917 1544 1 12 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.665 -5.750 25917 1545 1 12 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.751 14.677 25917 1546 1 12 . 1 1 9 9 CYS H H 9 7.841 7.841 8.614 -0.773 25917 1547 1 12 . 1 1 10 10 ASP N N 10 118.399 118.399 120.361 -1.962 25917 1548 1 12 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.973 -0.540 25917 1549 1 12 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.491 -2.269 25917 1550 1 12 . 1 1 10 10 ASP CB C 10 37.016 37.016 44.447 -7.431 25917 1551 1 12 . 1 1 10 10 ASP H H 10 8.744 8.744 8.293 0.451 25917 1552 1 12 . 1 1 11 11 SER N N 11 112.253 112.253 114.434 -2.181 25917 1553 1 12 . 1 1 11 11 SER HA H 11 4.124 4.124 4.260 -0.136 25917 1554 1 12 . 1 1 11 11 SER CA C 11 59.020 59.020 60.484 -1.464 25917 1555 1 12 . 1 1 11 11 SER CB C 11 60.066 60.066 63.360 -3.294 25917 1556 1 12 . 1 1 11 11 SER H H 11 8.424 8.424 8.385 0.039 25917 1557 1 12 . 1 1 12 12 GLU N N 12 124.186 124.186 119.411 4.775 25917 1558 1 12 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.383 0.098 25917 1559 1 12 . 1 1 12 12 GLU CA C 12 53.836 53.836 56.269 -2.433 25917 1560 1 12 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.726 -2.863 25917 1561 1 12 . 1 1 12 12 GLU H H 12 8.239 8.239 8.232 0.007 25917 1562 1 12 . 1 1 13 13 ARG N N 13 116.195 116.195 120.430 -4.235 25917 1563 1 12 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.331 0.226 25917 1564 1 12 . 1 1 13 13 ARG CA C 13 51.992 51.992 54.986 -2.994 25917 1565 1 12 . 1 1 13 13 ARG CB C 13 26.776 26.776 30.034 -3.258 25917 1566 1 12 . 1 1 13 13 ARG H H 13 8.194 8.194 7.610 0.584 25917 1567 1 12 . 1 1 14 14 LYS N N 14 121.150 121.150 125.180 -4.030 25917 1568 1 12 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.555 -0.150 25917 1569 1 12 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.147 -0.988 25917 1570 1 12 . 1 1 14 14 LYS CB C 14 31.014 31.014 33.616 -2.602 25917 1571 1 12 . 1 1 14 14 LYS H H 14 7.969 7.969 8.181 -0.212 25917 1572 1 12 . 1 1 15 15 CYS N N 15 119.435 119.435 121.654 -2.219 25917 1573 1 12 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.689 0.248 25917 1574 1 12 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.995 -5.902 25917 1575 1 12 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.368 12.636 25917 1576 1 12 . 1 1 15 15 CYS H H 15 9.162 9.162 8.678 0.484 25917 1577 1 12 . 1 1 16 16 CYS N N 16 120.864 120.864 125.646 -4.782 25917 1578 1 12 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.312 0.243 25917 1579 1 12 . 1 1 16 16 CYS CA C 16 51.362 51.362 59.821 -8.459 25917 1580 1 12 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.601 9.632 25917 1581 1 12 . 1 1 16 16 CYS H H 16 9.123 9.123 8.695 0.428 25917 1582 1 12 . 1 1 17 17 GLU N N 17 118.077 118.077 120.922 -2.845 25917 1583 1 12 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.983 0.100 25917 1584 1 12 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.708 -1.868 25917 1585 1 12 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.356 -3.458 25917 1586 1 12 . 1 1 17 17 GLU H H 17 8.305 8.305 8.985 -0.680 25917 1587 1 12 . 1 1 18 18 GLY N N 18 111.182 111.182 105.941 5.241 25917 1588 1 12 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.442 -3.430 25917 1589 1 12 . 1 1 18 18 GLY H H 18 8.861 8.861 8.282 0.579 25917 1590 1 12 . 1 1 19 19 MET N N 19 117.827 117.827 118.783 -0.956 25917 1591 1 12 . 1 1 19 19 MET HA H 19 5.097 5.097 4.868 0.229 25917 1592 1 12 . 1 1 19 19 MET CA C 19 51.128 51.128 54.760 -3.632 25917 1593 1 12 . 1 1 19 19 MET CB C 19 34.904 34.904 36.357 -1.453 25917 1594 1 12 . 1 1 19 19 MET H H 19 7.528 7.528 7.634 -0.106 25917 1595 1 12 . 1 1 20 20 VAL N N 20 116.719 116.719 116.794 -0.075 25917 1596 1 12 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.481 -0.008 25917 1597 1 12 . 1 1 20 20 VAL CA C 20 56.451 56.451 59.911 -3.460 25917 1598 1 12 . 1 1 20 20 VAL CB C 20 32.117 32.117 33.431 -1.314 25917 1599 1 12 . 1 1 20 20 VAL H H 20 9.110 9.110 8.709 0.401 25917 1600 1 12 . 1 1 21 21 CYS N N 21 122.699 122.699 126.360 -3.661 25917 1601 1 12 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.766 0.042 25917 1602 1 12 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.390 -6.881 25917 1603 1 12 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.760 10.318 25917 1604 1 12 . 1 1 21 21 CYS H H 21 8.943 8.943 8.748 0.195 25917 1605 1 12 . 1 1 22 22 ARG N N 22 134.904 134.904 126.185 8.719 25917 1606 1 12 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.507 0.015 25917 1607 1 12 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.267 -2.691 25917 1608 1 12 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.377 2.415 25917 1609 1 12 . 1 1 22 22 ARG H H 22 8.248 8.248 8.131 0.117 25917 1610 1 12 . 1 1 23 23 LEU N N 23 123.936 123.936 121.062 2.874 25917 1611 1 12 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.961 -0.238 25917 1612 1 12 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.815 1.947 25917 1613 1 12 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.952 -4.609 25917 1614 1 12 . 1 1 23 23 LEU H H 23 8.108 8.108 8.207 -0.099 25917 1615 1 12 . 1 1 24 24 TRP N N 24 123.699 123.699 116.421 7.278 25917 1616 1 12 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.217 0.102 25917 1617 1 12 . 1 1 24 24 TRP CA C 24 53.633 53.633 54.921 -1.288 25917 1618 1 12 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.032 -2.530 25917 1619 1 12 . 1 1 24 24 TRP H H 24 8.115 8.115 7.710 0.405 25917 1620 1 12 . 1 1 25 25 CYS N N 25 118.684 118.684 123.633 -4.949 25917 1621 1 12 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.197 -0.282 25917 1622 1 12 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.014 -5.358 25917 1623 1 12 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.026 10.238 25917 1624 1 12 . 1 1 25 25 CYS H H 25 8.671 8.671 9.210 -0.539 25917 1625 1 12 . 1 1 26 26 LYS N N 26 124.865 124.865 124.159 0.706 25917 1626 1 12 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.868 0.105 25917 1627 1 12 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.270 -3.166 25917 1628 1 12 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.315 -4.428 25917 1629 1 12 . 1 1 26 26 LYS H H 26 9.316 9.316 8.105 1.211 25917 1630 1 12 . 1 1 27 27 LYS N N 27 119.792 119.792 120.536 -0.744 25917 1631 1 12 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.507 -0.204 25917 1632 1 12 . 1 1 27 27 LYS C C 27 54.469 54.469 176.726 -122.257 25917 1633 1 12 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.326 -2.966 25917 1634 1 12 . 1 1 27 27 LYS H H 27 8.461 8.461 8.493 -0.032 25917 1635 1 12 . 1 1 28 28 LYS N N 28 122.343 122.343 118.487 3.856 25917 1636 1 12 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.251 -0.145 25917 1637 1 12 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.210 -2.327 25917 1638 1 12 . 1 1 28 28 LYS CB C 28 30.390 30.390 32.734 -2.344 25917 1639 1 12 . 1 1 28 28 LYS H H 28 8.157 8.157 8.441 -0.284 25917 1640 1 12 . 1 1 29 29 LEU N N 29 118.006 118.006 122.961 -4.955 25917 1641 1 12 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.326 -0.006 25917 1642 1 12 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.827 -3.693 25917 1643 1 12 . 1 1 29 29 LEU CB C 29 26.262 26.262 40.862 -14.600 25917 1644 1 12 . 1 1 29 29 LEU H H 29 8.290 8.290 8.515 -0.225 25917 1645 1 13 . 1 1 2 2 CYS N N 2 117.668 117.668 121.327 -3.659 25917 1646 1 13 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.513 0.581 25917 1647 1 13 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.678 -5.873 25917 1648 1 13 . 1 1 2 2 CYS CB C 2 40.451 40.451 28.669 11.782 25917 1649 1 13 . 1 1 2 2 CYS H H 2 8.171 8.171 7.914 0.257 25917 1650 1 13 . 1 1 3 3 GLN N N 3 117.434 117.434 121.420 -3.986 25917 1651 1 13 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.371 1.146 25917 1652 1 13 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.496 -2.485 25917 1653 1 13 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.344 0.626 25917 1654 1 13 . 1 1 3 3 GLN H H 3 9.221 9.221 8.551 0.670 25917 1655 1 13 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.257 -0.549 25917 1656 1 13 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.439 -2.933 25917 1657 1 13 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.820 -2.835 25917 1658 1 13 . 1 1 4 4 LYS H H 4 5.270 5.270 6.656 -1.386 25917 1659 1 13 . 1 1 5 5 TRP N N 5 118.577 118.577 124.498 -5.921 25917 1660 1 13 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.206 0.111 25917 1661 1 13 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.578 -2.987 25917 1662 1 13 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.999 -3.367 25917 1663 1 13 . 1 1 5 5 TRP H H 5 7.941 7.941 8.182 -0.241 25917 1664 1 13 . 1 1 6 6 MET N N 6 118.041 118.041 119.248 -1.207 25917 1665 1 13 . 1 1 6 6 MET HA H 6 3.924 3.924 5.094 -1.170 25917 1666 1 13 . 1 1 6 6 MET CA C 6 53.883 53.883 56.939 -3.056 25917 1667 1 13 . 1 1 6 6 MET CB C 6 27.846 27.846 31.876 -4.030 25917 1668 1 13 . 1 1 6 6 MET H H 6 9.139 9.139 8.311 0.828 25917 1669 1 13 . 1 1 7 7 TRP N N 7 121.757 121.757 124.397 -2.640 25917 1670 1 13 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.230 -0.155 25917 1671 1 13 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.168 -3.055 25917 1672 1 13 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.310 -6.391 25917 1673 1 13 . 1 1 7 7 TRP H H 7 8.676 8.676 8.330 0.346 25917 1674 1 13 . 1 1 8 8 THR N N 8 112.611 112.611 112.558 0.053 25917 1675 1 13 . 1 1 8 8 THR HA H 8 4.576 4.576 4.584 -0.008 25917 1676 1 13 . 1 1 8 8 THR CA C 8 60.134 60.134 61.523 -1.389 25917 1677 1 13 . 1 1 8 8 THR CB C 8 67.139 67.139 70.282 -3.143 25917 1678 1 13 . 1 1 8 8 THR H H 8 8.533 8.533 8.550 -0.017 25917 1679 1 13 . 1 1 9 9 CYS N N 9 116.041 116.041 120.844 -4.803 25917 1680 1 13 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.849 0.349 25917 1681 1 13 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.514 -5.599 25917 1682 1 13 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.420 15.008 25917 1683 1 13 . 1 1 9 9 CYS H H 9 7.841 7.841 8.454 -0.613 25917 1684 1 13 . 1 1 10 10 ASP N N 10 118.399 118.399 120.238 -1.839 25917 1685 1 13 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.914 -0.481 25917 1686 1 13 . 1 1 10 10 ASP CA C 10 51.222 51.222 52.928 -1.706 25917 1687 1 13 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.383 -6.367 25917 1688 1 13 . 1 1 10 10 ASP H H 10 8.744 8.744 8.389 0.355 25917 1689 1 13 . 1 1 11 11 SER N N 11 112.253 112.253 114.776 -2.523 25917 1690 1 13 . 1 1 11 11 SER HA H 11 4.124 4.124 4.379 -0.255 25917 1691 1 13 . 1 1 11 11 SER CA C 11 59.020 59.020 60.398 -1.378 25917 1692 1 13 . 1 1 11 11 SER CB C 11 60.066 60.066 63.144 -3.078 25917 1693 1 13 . 1 1 11 11 SER H H 11 8.424 8.424 8.510 -0.086 25917 1694 1 13 . 1 1 12 12 GLU N N 12 124.186 124.186 119.367 4.819 25917 1695 1 13 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.342 0.139 25917 1696 1 13 . 1 1 12 12 GLU CA C 12 53.836 53.836 56.683 -2.847 25917 1697 1 13 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.892 -3.029 25917 1698 1 13 . 1 1 12 12 GLU H H 12 8.239 8.239 8.170 0.069 25917 1699 1 13 . 1 1 13 13 ARG N N 13 116.195 116.195 120.767 -4.572 25917 1700 1 13 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.388 0.169 25917 1701 1 13 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.186 -3.194 25917 1702 1 13 . 1 1 13 13 ARG CB C 13 26.776 26.776 30.210 -3.434 25917 1703 1 13 . 1 1 13 13 ARG H H 13 8.194 8.194 7.924 0.270 25917 1704 1 13 . 1 1 14 14 LYS N N 14 121.150 121.150 123.013 -1.863 25917 1705 1 13 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.736 -0.331 25917 1706 1 13 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.775 -1.616 25917 1707 1 13 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.344 -3.330 25917 1708 1 13 . 1 1 14 14 LYS H H 14 7.969 7.969 8.272 -0.303 25917 1709 1 13 . 1 1 15 15 CYS N N 15 119.435 119.435 120.135 -0.700 25917 1710 1 13 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.525 0.412 25917 1711 1 13 . 1 1 15 15 CYS CA C 15 53.093 53.093 59.316 -6.223 25917 1712 1 13 . 1 1 15 15 CYS CB C 15 38.004 38.004 24.970 13.034 25917 1713 1 13 . 1 1 15 15 CYS H H 15 9.162 9.162 8.603 0.559 25917 1714 1 13 . 1 1 16 16 CYS N N 16 120.864 120.864 124.735 -3.871 25917 1715 1 13 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.386 0.169 25917 1716 1 13 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.381 -9.019 25917 1717 1 13 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.920 9.313 25917 1718 1 13 . 1 1 16 16 CYS H H 16 9.123 9.123 8.800 0.323 25917 1719 1 13 . 1 1 17 17 GLU N N 17 118.077 118.077 119.982 -1.905 25917 1720 1 13 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.940 0.143 25917 1721 1 13 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.646 -1.806 25917 1722 1 13 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.198 -3.300 25917 1723 1 13 . 1 1 17 17 GLU H H 17 8.305 8.305 8.951 -0.646 25917 1724 1 13 . 1 1 18 18 GLY N N 18 111.182 111.182 106.338 4.844 25917 1725 1 13 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.575 -3.563 25917 1726 1 13 . 1 1 18 18 GLY H H 18 8.861 8.861 8.312 0.549 25917 1727 1 13 . 1 1 19 19 MET N N 19 117.827 117.827 118.087 -0.260 25917 1728 1 13 . 1 1 19 19 MET HA H 19 5.097 5.097 4.550 0.547 25917 1729 1 13 . 1 1 19 19 MET CA C 19 51.128 51.128 55.224 -4.096 25917 1730 1 13 . 1 1 19 19 MET CB C 19 34.904 34.904 34.896 0.008 25917 1731 1 13 . 1 1 19 19 MET H H 19 7.528 7.528 7.470 0.058 25917 1732 1 13 . 1 1 20 20 VAL N N 20 116.719 116.719 116.008 0.711 25917 1733 1 13 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.489 -0.016 25917 1734 1 13 . 1 1 20 20 VAL CA C 20 56.451 56.451 59.730 -3.280 25917 1735 1 13 . 1 1 20 20 VAL CB C 20 32.117 32.117 33.638 -1.521 25917 1736 1 13 . 1 1 20 20 VAL H H 20 9.110 9.110 8.937 0.173 25917 1737 1 13 . 1 1 21 21 CYS N N 21 122.699 122.699 127.016 -4.317 25917 1738 1 13 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.771 0.037 25917 1739 1 13 . 1 1 21 21 CYS CA C 21 52.509 52.509 58.535 -6.026 25917 1740 1 13 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.044 11.034 25917 1741 1 13 . 1 1 21 21 CYS H H 21 8.943 8.943 8.765 0.178 25917 1742 1 13 . 1 1 22 22 ARG N N 22 134.904 134.904 127.508 7.396 25917 1743 1 13 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.646 -0.124 25917 1744 1 13 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.126 -2.550 25917 1745 1 13 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.114 2.678 25917 1746 1 13 . 1 1 22 22 ARG H H 22 8.248 8.248 8.013 0.235 25917 1747 1 13 . 1 1 23 23 LEU N N 23 123.936 123.936 120.183 3.753 25917 1748 1 13 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.077 -0.354 25917 1749 1 13 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.614 2.147 25917 1750 1 13 . 1 1 23 23 LEU CB C 23 37.343 37.343 42.114 -4.771 25917 1751 1 13 . 1 1 23 23 LEU H H 23 8.108 8.108 8.236 -0.128 25917 1752 1 13 . 1 1 24 24 TRP N N 24 123.699 123.699 116.461 7.238 25917 1753 1 13 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.285 0.034 25917 1754 1 13 . 1 1 24 24 TRP CA C 24 53.633 53.633 54.958 -1.325 25917 1755 1 13 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.496 -2.993 25917 1756 1 13 . 1 1 24 24 TRP H H 24 8.115 8.115 7.853 0.262 25917 1757 1 13 . 1 1 25 25 CYS N N 25 118.684 118.684 123.009 -4.325 25917 1758 1 13 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.393 -0.478 25917 1759 1 13 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.546 -5.890 25917 1760 1 13 . 1 1 25 25 CYS CB C 25 37.264 37.264 26.390 10.874 25917 1761 1 13 . 1 1 25 25 CYS H H 25 8.671 8.671 9.215 -0.544 25917 1762 1 13 . 1 1 26 26 LYS N N 26 124.865 124.865 124.770 0.095 25917 1763 1 13 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.882 0.091 25917 1764 1 13 . 1 1 26 26 LYS CA C 26 52.104 52.104 54.971 -2.867 25917 1765 1 13 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.036 -4.149 25917 1766 1 13 . 1 1 26 26 LYS H H 26 9.316 9.316 8.902 0.414 25917 1767 1 13 . 1 1 27 27 LYS N N 27 119.792 119.792 120.579 -0.787 25917 1768 1 13 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.251 0.052 25917 1769 1 13 . 1 1 27 27 LYS C C 27 54.469 54.469 176.060 -121.591 25917 1770 1 13 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.102 -2.742 25917 1771 1 13 . 1 1 27 27 LYS H H 27 8.461 8.461 8.372 0.089 25917 1772 1 13 . 1 1 28 28 LYS N N 28 122.343 122.343 122.779 -0.436 25917 1773 1 13 . 1 1 28 28 LYS HA H 28 4.106 4.106 3.951 0.155 25917 1774 1 13 . 1 1 28 28 LYS CA C 28 53.883 53.883 55.978 -2.095 25917 1775 1 13 . 1 1 28 28 LYS CB C 28 30.390 30.390 32.137 -1.747 25917 1776 1 13 . 1 1 28 28 LYS H H 28 8.157 8.157 8.267 -0.110 25917 1777 1 13 . 1 1 29 29 LEU N N 29 118.006 118.006 126.877 -8.871 25917 1778 1 13 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.340 -0.020 25917 1779 1 13 . 1 1 29 29 LEU CA C 29 52.134 52.134 54.310 -2.176 25917 1780 1 13 . 1 1 29 29 LEU CB C 29 26.262 26.262 41.727 -15.464 25917 1781 1 13 . 1 1 29 29 LEU H H 29 8.290 8.290 8.153 0.137 25917 1782 1 14 . 1 1 2 2 CYS N N 2 117.668 117.668 119.931 -2.263 25917 1783 1 14 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.518 0.576 25917 1784 1 14 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.900 -6.095 25917 1785 1 14 . 1 1 2 2 CYS CB C 2 40.451 40.451 29.016 11.435 25917 1786 1 14 . 1 1 2 2 CYS H H 2 8.171 8.171 7.740 0.431 25917 1787 1 14 . 1 1 3 3 GLN N N 3 117.434 117.434 120.976 -3.542 25917 1788 1 14 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.352 1.165 25917 1789 1 14 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.683 -2.672 25917 1790 1 14 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.367 0.603 25917 1791 1 14 . 1 1 3 3 GLN H H 3 9.221 9.221 8.475 0.746 25917 1792 1 14 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.246 -0.538 25917 1793 1 14 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.612 -3.106 25917 1794 1 14 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.659 -2.674 25917 1795 1 14 . 1 1 4 4 LYS H H 4 5.270 5.270 6.532 -1.262 25917 1796 1 14 . 1 1 5 5 TRP N N 5 118.577 118.577 124.791 -6.214 25917 1797 1 14 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.181 0.136 25917 1798 1 14 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.374 -2.783 25917 1799 1 14 . 1 1 5 5 TRP CB C 5 25.632 25.632 29.006 -3.374 25917 1800 1 14 . 1 1 5 5 TRP H H 5 7.941 7.941 8.048 -0.107 25917 1801 1 14 . 1 1 6 6 MET N N 6 118.041 118.041 118.459 -0.418 25917 1802 1 14 . 1 1 6 6 MET HA H 6 3.924 3.924 4.710 -0.786 25917 1803 1 14 . 1 1 6 6 MET CA C 6 53.883 53.883 56.755 -2.872 25917 1804 1 14 . 1 1 6 6 MET CB C 6 27.846 27.846 31.308 -3.462 25917 1805 1 14 . 1 1 6 6 MET H H 6 9.139 9.139 7.658 1.481 25917 1806 1 14 . 1 1 7 7 TRP N N 7 121.757 121.757 124.595 -2.838 25917 1807 1 14 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.217 -0.142 25917 1808 1 14 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.731 -3.618 25917 1809 1 14 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.476 -6.557 25917 1810 1 14 . 1 1 7 7 TRP H H 7 8.676 8.676 8.373 0.303 25917 1811 1 14 . 1 1 8 8 THR N N 8 112.611 112.611 112.383 0.228 25917 1812 1 14 . 1 1 8 8 THR HA H 8 4.576 4.576 4.618 -0.042 25917 1813 1 14 . 1 1 8 8 THR CA C 8 60.134 60.134 60.619 -0.485 25917 1814 1 14 . 1 1 8 8 THR CB C 8 67.139 67.139 70.032 -2.893 25917 1815 1 14 . 1 1 8 8 THR H H 8 8.533 8.533 8.418 0.115 25917 1816 1 14 . 1 1 9 9 CYS N N 9 116.041 116.041 121.067 -5.026 25917 1817 1 14 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.752 0.446 25917 1818 1 14 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.952 -6.037 25917 1819 1 14 . 1 1 9 9 CYS CB C 9 45.428 45.428 29.618 15.810 25917 1820 1 14 . 1 1 9 9 CYS H H 9 7.841 7.841 8.688 -0.847 25917 1821 1 14 . 1 1 10 10 ASP N N 10 118.399 118.399 118.904 -0.505 25917 1822 1 14 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.864 -0.431 25917 1823 1 14 . 1 1 10 10 ASP CA C 10 51.222 51.222 52.729 -1.507 25917 1824 1 14 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.761 -6.745 25917 1825 1 14 . 1 1 10 10 ASP H H 10 8.744 8.744 8.296 0.448 25917 1826 1 14 . 1 1 11 11 SER N N 11 112.253 112.253 115.120 -2.867 25917 1827 1 14 . 1 1 11 11 SER HA H 11 4.124 4.124 4.362 -0.238 25917 1828 1 14 . 1 1 11 11 SER CA C 11 59.020 59.020 60.396 -1.376 25917 1829 1 14 . 1 1 11 11 SER CB C 11 60.066 60.066 63.331 -3.265 25917 1830 1 14 . 1 1 11 11 SER H H 11 8.424 8.424 8.523 -0.099 25917 1831 1 14 . 1 1 12 12 GLU N N 12 124.186 124.186 119.237 4.949 25917 1832 1 14 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.405 0.076 25917 1833 1 14 . 1 1 12 12 GLU CA C 12 53.836 53.836 56.607 -2.771 25917 1834 1 14 . 1 1 12 12 GLU CB C 12 26.863 26.863 30.150 -3.287 25917 1835 1 14 . 1 1 12 12 GLU H H 12 8.239 8.239 8.048 0.191 25917 1836 1 14 . 1 1 13 13 ARG N N 13 116.195 116.195 120.828 -4.633 25917 1837 1 14 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.350 0.207 25917 1838 1 14 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.369 -3.377 25917 1839 1 14 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.259 -2.483 25917 1840 1 14 . 1 1 13 13 ARG H H 13 8.194 8.194 7.966 0.228 25917 1841 1 14 . 1 1 14 14 LYS N N 14 121.150 121.150 125.431 -4.281 25917 1842 1 14 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.615 -0.210 25917 1843 1 14 . 1 1 14 14 LYS CA C 14 53.159 53.159 55.128 -1.969 25917 1844 1 14 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.807 -3.793 25917 1845 1 14 . 1 1 14 14 LYS H H 14 7.969 7.969 8.203 -0.234 25917 1846 1 14 . 1 1 15 15 CYS N N 15 119.435 119.435 120.748 -1.313 25917 1847 1 14 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.524 0.413 25917 1848 1 14 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.983 -5.890 25917 1849 1 14 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.724 12.280 25917 1850 1 14 . 1 1 15 15 CYS H H 15 9.162 9.162 8.675 0.487 25917 1851 1 14 . 1 1 16 16 CYS N N 16 120.864 120.864 124.988 -4.124 25917 1852 1 14 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.299 0.256 25917 1853 1 14 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.965 -9.603 25917 1854 1 14 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.222 10.011 25917 1855 1 14 . 1 1 16 16 CYS H H 16 9.123 9.123 8.630 0.493 25917 1856 1 14 . 1 1 17 17 GLU N N 17 118.077 118.077 118.775 -0.698 25917 1857 1 14 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.949 0.134 25917 1858 1 14 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.798 -1.958 25917 1859 1 14 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.793 -2.894 25917 1860 1 14 . 1 1 17 17 GLU H H 17 8.305 8.305 8.979 -0.674 25917 1861 1 14 . 1 1 18 18 GLY N N 18 111.182 111.182 106.216 4.966 25917 1862 1 14 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.658 -3.646 25917 1863 1 14 . 1 1 18 18 GLY H H 18 8.861 8.861 8.310 0.551 25917 1864 1 14 . 1 1 19 19 MET N N 19 117.827 117.827 117.784 0.043 25917 1865 1 14 . 1 1 19 19 MET HA H 19 5.097 5.097 4.588 0.509 25917 1866 1 14 . 1 1 19 19 MET CA C 19 51.128 51.128 55.454 -4.326 25917 1867 1 14 . 1 1 19 19 MET CB C 19 34.904 34.904 34.838 0.066 25917 1868 1 14 . 1 1 19 19 MET H H 19 7.528 7.528 7.482 0.046 25917 1869 1 14 . 1 1 20 20 VAL N N 20 116.719 116.719 120.509 -3.790 25917 1870 1 14 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.337 0.136 25917 1871 1 14 . 1 1 20 20 VAL CA C 20 56.451 56.451 60.734 -4.283 25917 1872 1 14 . 1 1 20 20 VAL CB C 20 32.117 32.117 32.855 -0.738 25917 1873 1 14 . 1 1 20 20 VAL H H 20 9.110 9.110 8.782 0.328 25917 1874 1 14 . 1 1 21 21 CYS N N 21 122.699 122.699 128.143 -5.444 25917 1875 1 14 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.647 0.161 25917 1876 1 14 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.572 -7.063 25917 1877 1 14 . 1 1 21 21 CYS CB C 21 37.078 37.078 27.267 9.811 25917 1878 1 14 . 1 1 21 21 CYS H H 21 8.943 8.943 8.846 0.097 25917 1879 1 14 . 1 1 22 22 ARG N N 22 134.904 134.904 125.724 9.180 25917 1880 1 14 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.399 0.123 25917 1881 1 14 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.828 -3.252 25917 1882 1 14 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.376 2.416 25917 1883 1 14 . 1 1 22 22 ARG H H 22 8.248 8.248 8.243 0.005 25917 1884 1 14 . 1 1 23 23 LEU N N 23 123.936 123.936 118.563 5.373 25917 1885 1 14 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.045 -0.322 25917 1886 1 14 . 1 1 23 23 LEU CA C 23 58.762 58.762 57.135 1.627 25917 1887 1 14 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.898 -4.555 25917 1888 1 14 . 1 1 23 23 LEU H H 23 8.108 8.108 8.214 -0.106 25917 1889 1 14 . 1 1 24 24 TRP N N 24 123.699 123.699 116.334 7.365 25917 1890 1 14 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.078 0.241 25917 1891 1 14 . 1 1 24 24 TRP CA C 24 53.633 53.633 54.884 -1.251 25917 1892 1 14 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.285 -2.782 25917 1893 1 14 . 1 1 24 24 TRP H H 24 8.115 8.115 7.611 0.504 25917 1894 1 14 . 1 1 25 25 CYS N N 25 118.684 118.684 122.782 -4.098 25917 1895 1 14 . 1 1 25 25 CYS HA H 25 4.915 4.915 4.961 -0.046 25917 1896 1 14 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.446 -5.790 25917 1897 1 14 . 1 1 25 25 CYS CB C 25 37.264 37.264 26.560 10.704 25917 1898 1 14 . 1 1 25 25 CYS H H 25 8.671 8.671 9.216 -0.545 25917 1899 1 14 . 1 1 26 26 LYS N N 26 124.865 124.865 124.619 0.246 25917 1900 1 14 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.964 0.009 25917 1901 1 14 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.155 -3.051 25917 1902 1 14 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.557 -4.670 25917 1903 1 14 . 1 1 26 26 LYS H H 26 9.316 9.316 8.610 0.706 25917 1904 1 14 . 1 1 27 27 LYS N N 27 119.792 119.792 120.013 -0.221 25917 1905 1 14 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.597 -0.294 25917 1906 1 14 . 1 1 27 27 LYS C C 27 54.469 54.469 176.498 -122.029 25917 1907 1 14 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.503 -3.143 25917 1908 1 14 . 1 1 27 27 LYS H H 27 8.461 8.461 8.834 -0.373 25917 1909 1 14 . 1 1 28 28 LYS N N 28 122.343 122.343 126.332 -3.989 25917 1910 1 14 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.442 -0.336 25917 1911 1 14 . 1 1 28 28 LYS CA C 28 53.883 53.883 55.714 -1.831 25917 1912 1 14 . 1 1 28 28 LYS CB C 28 30.390 30.390 31.467 -1.077 25917 1913 1 14 . 1 1 28 28 LYS H H 28 8.157 8.157 8.715 -0.558 25917 1914 1 14 . 1 1 29 29 LEU N N 29 118.006 118.006 127.175 -9.169 25917 1915 1 14 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.304 0.016 25917 1916 1 14 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.640 -3.506 25917 1917 1 14 . 1 1 29 29 LEU CB C 29 26.262 26.262 42.442 -16.180 25917 1918 1 14 . 1 1 29 29 LEU H H 29 8.290 8.290 8.444 -0.154 25917 1919 1 15 . 1 1 2 2 CYS N N 2 117.668 117.668 118.759 -1.091 25917 1920 1 15 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.715 0.379 25917 1921 1 15 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.171 -6.366 25917 1922 1 15 . 1 1 2 2 CYS CB C 2 40.451 40.451 30.103 10.348 25917 1923 1 15 . 1 1 2 2 CYS H H 2 8.171 8.171 7.945 0.226 25917 1924 1 15 . 1 1 3 3 GLN N N 3 117.434 117.434 122.312 -4.878 25917 1925 1 15 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.356 1.161 25917 1926 1 15 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.581 -2.570 25917 1927 1 15 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.785 0.185 25917 1928 1 15 . 1 1 3 3 GLN H H 3 9.221 9.221 8.453 0.768 25917 1929 1 15 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.250 -0.542 25917 1930 1 15 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.493 -2.987 25917 1931 1 15 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.803 -2.818 25917 1932 1 15 . 1 1 4 4 LYS H H 4 5.270 5.270 6.787 -1.517 25917 1933 1 15 . 1 1 5 5 TRP N N 5 118.577 118.577 124.850 -6.273 25917 1934 1 15 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.178 0.139 25917 1935 1 15 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.688 -3.097 25917 1936 1 15 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.944 -3.312 25917 1937 1 15 . 1 1 5 5 TRP H H 5 7.941 7.941 8.321 -0.380 25917 1938 1 15 . 1 1 6 6 MET N N 6 118.041 118.041 119.085 -1.044 25917 1939 1 15 . 1 1 6 6 MET HA H 6 3.924 3.924 5.080 -1.156 25917 1940 1 15 . 1 1 6 6 MET CA C 6 53.883 53.883 56.816 -2.933 25917 1941 1 15 . 1 1 6 6 MET CB C 6 27.846 27.846 31.623 -3.777 25917 1942 1 15 . 1 1 6 6 MET H H 6 9.139 9.139 8.243 0.896 25917 1943 1 15 . 1 1 7 7 TRP N N 7 121.757 121.757 125.222 -3.465 25917 1944 1 15 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.248 -0.173 25917 1945 1 15 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.222 -3.109 25917 1946 1 15 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.620 -6.701 25917 1947 1 15 . 1 1 7 7 TRP H H 7 8.676 8.676 8.429 0.247 25917 1948 1 15 . 1 1 8 8 THR N N 8 112.611 112.611 113.035 -0.424 25917 1949 1 15 . 1 1 8 8 THR HA H 8 4.576 4.576 4.470 0.106 25917 1950 1 15 . 1 1 8 8 THR CA C 8 60.134 60.134 61.986 -1.853 25917 1951 1 15 . 1 1 8 8 THR CB C 8 67.139 67.139 69.705 -2.566 25917 1952 1 15 . 1 1 8 8 THR H H 8 8.533 8.533 8.487 0.046 25917 1953 1 15 . 1 1 9 9 CYS N N 9 116.041 116.041 122.521 -6.480 25917 1954 1 15 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.739 0.459 25917 1955 1 15 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.083 -6.168 25917 1956 1 15 . 1 1 9 9 CYS CB C 9 45.428 45.428 29.702 15.726 25917 1957 1 15 . 1 1 9 9 CYS H H 9 7.841 7.841 8.601 -0.760 25917 1958 1 15 . 1 1 10 10 ASP N N 10 118.399 118.399 121.479 -3.080 25917 1959 1 15 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.957 -0.524 25917 1960 1 15 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.206 -1.984 25917 1961 1 15 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.378 -6.362 25917 1962 1 15 . 1 1 10 10 ASP H H 10 8.744 8.744 8.062 0.682 25917 1963 1 15 . 1 1 11 11 SER N N 11 112.253 112.253 114.682 -2.429 25917 1964 1 15 . 1 1 11 11 SER HA H 11 4.124 4.124 4.143 -0.019 25917 1965 1 15 . 1 1 11 11 SER CA C 11 59.020 59.020 60.807 -1.787 25917 1966 1 15 . 1 1 11 11 SER CB C 11 60.066 60.066 63.426 -3.360 25917 1967 1 15 . 1 1 11 11 SER H H 11 8.424 8.424 8.413 0.011 25917 1968 1 15 . 1 1 12 12 GLU N N 12 124.186 124.186 118.745 5.441 25917 1969 1 15 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.354 0.127 25917 1970 1 15 . 1 1 12 12 GLU CA C 12 53.836 53.836 56.052 -2.216 25917 1971 1 15 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.986 -3.123 25917 1972 1 15 . 1 1 12 12 GLU H H 12 8.239 8.239 8.223 0.016 25917 1973 1 15 . 1 1 13 13 ARG N N 13 116.195 116.195 121.012 -4.817 25917 1974 1 15 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.294 0.263 25917 1975 1 15 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.703 -3.711 25917 1976 1 15 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.462 -2.686 25917 1977 1 15 . 1 1 13 13 ARG H H 13 8.194 8.194 7.936 0.258 25917 1978 1 15 . 1 1 14 14 LYS N N 14 121.150 121.150 125.475 -4.325 25917 1979 1 15 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.573 -0.168 25917 1980 1 15 . 1 1 14 14 LYS CA C 14 53.159 53.159 53.998 -0.839 25917 1981 1 15 . 1 1 14 14 LYS CB C 14 31.014 31.014 33.869 -2.855 25917 1982 1 15 . 1 1 14 14 LYS H H 14 7.969 7.969 8.327 -0.358 25917 1983 1 15 . 1 1 15 15 CYS N N 15 119.435 119.435 121.449 -2.014 25917 1984 1 15 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.584 0.353 25917 1985 1 15 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.816 -5.723 25917 1986 1 15 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.295 12.709 25917 1987 1 15 . 1 1 15 15 CYS H H 15 9.162 9.162 8.773 0.389 25917 1988 1 15 . 1 1 16 16 CYS N N 16 120.864 120.864 125.701 -4.837 25917 1989 1 15 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.250 0.305 25917 1990 1 15 . 1 1 16 16 CYS CA C 16 51.362 51.362 61.642 -10.280 25917 1991 1 15 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.270 9.963 25917 1992 1 15 . 1 1 16 16 CYS H H 16 9.123 9.123 8.599 0.524 25917 1993 1 15 . 1 1 17 17 GLU N N 17 118.077 118.077 121.235 -3.158 25917 1994 1 15 . 1 1 17 17 GLU HA H 17 4.083 4.083 4.031 0.052 25917 1995 1 15 . 1 1 17 17 GLU CA C 17 54.840 54.840 57.250 -2.410 25917 1996 1 15 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.369 -3.470 25917 1997 1 15 . 1 1 17 17 GLU H H 17 8.305 8.305 8.845 -0.540 25917 1998 1 15 . 1 1 18 18 GLY N N 18 111.182 111.182 106.920 4.262 25917 1999 1 15 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.606 -3.594 25917 2000 1 15 . 1 1 18 18 GLY H H 18 8.861 8.861 7.778 1.083 25917 2001 1 15 . 1 1 19 19 MET N N 19 117.827 117.827 118.068 -0.241 25917 2002 1 15 . 1 1 19 19 MET HA H 19 5.097 5.097 4.448 0.649 25917 2003 1 15 . 1 1 19 19 MET CA C 19 51.128 51.128 55.294 -4.166 25917 2004 1 15 . 1 1 19 19 MET CB C 19 34.904 34.904 34.977 -0.073 25917 2005 1 15 . 1 1 19 19 MET H H 19 7.528 7.528 7.746 -0.218 25917 2006 1 15 . 1 1 20 20 VAL N N 20 116.719 116.719 120.292 -3.573 25917 2007 1 15 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.108 0.365 25917 2008 1 15 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.874 -5.423 25917 2009 1 15 . 1 1 20 20 VAL CB C 20 32.117 32.117 32.743 -0.626 25917 2010 1 15 . 1 1 20 20 VAL H H 20 9.110 9.110 8.805 0.305 25917 2011 1 15 . 1 1 21 21 CYS N N 21 122.699 122.699 128.585 -5.886 25917 2012 1 15 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.686 0.122 25917 2013 1 15 . 1 1 21 21 CYS CA C 21 52.509 52.509 58.713 -6.204 25917 2014 1 15 . 1 1 21 21 CYS CB C 21 37.078 37.078 25.761 11.318 25917 2015 1 15 . 1 1 21 21 CYS H H 21 8.943 8.943 8.792 0.151 25917 2016 1 15 . 1 1 22 22 ARG N N 22 134.904 134.904 125.809 9.095 25917 2017 1 15 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.620 -0.098 25917 2018 1 15 . 1 1 22 22 ARG CA C 22 52.576 52.576 54.856 -2.280 25917 2019 1 15 . 1 1 22 22 ARG CB C 22 33.792 33.792 30.573 3.219 25917 2020 1 15 . 1 1 22 22 ARG H H 22 8.248 8.248 7.890 0.358 25917 2021 1 15 . 1 1 23 23 LEU N N 23 123.936 123.936 119.993 3.943 25917 2022 1 15 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.017 -0.294 25917 2023 1 15 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.532 2.230 25917 2024 1 15 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.666 -4.323 25917 2025 1 15 . 1 1 23 23 LEU H H 23 8.108 8.108 8.444 -0.336 25917 2026 1 15 . 1 1 24 24 TRP N N 24 123.699 123.699 116.250 7.449 25917 2027 1 15 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.095 0.224 25917 2028 1 15 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.309 -1.676 25917 2029 1 15 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.571 -3.068 25917 2030 1 15 . 1 1 24 24 TRP H H 24 8.115 8.115 7.732 0.383 25917 2031 1 15 . 1 1 25 25 CYS N N 25 118.684 118.684 122.099 -3.415 25917 2032 1 15 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.316 -0.401 25917 2033 1 15 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.231 -5.575 25917 2034 1 15 . 1 1 25 25 CYS CB C 25 37.264 37.264 26.851 10.413 25917 2035 1 15 . 1 1 25 25 CYS H H 25 8.671 8.671 9.380 -0.709 25917 2036 1 15 . 1 1 26 26 LYS N N 26 124.865 124.865 124.427 0.438 25917 2037 1 15 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.917 0.056 25917 2038 1 15 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.301 -3.197 25917 2039 1 15 . 1 1 26 26 LYS CB C 26 32.887 32.887 36.614 -3.727 25917 2040 1 15 . 1 1 26 26 LYS H H 26 9.316 9.316 8.888 0.428 25917 2041 1 15 . 1 1 27 27 LYS N N 27 119.792 119.792 122.573 -2.781 25917 2042 1 15 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.157 0.146 25917 2043 1 15 . 1 1 27 27 LYS C C 27 54.469 54.469 176.467 -121.998 25917 2044 1 15 . 1 1 27 27 LYS CB C 27 30.360 30.360 32.858 -2.498 25917 2045 1 15 . 1 1 27 27 LYS H H 27 8.461 8.461 8.100 0.361 25917 2046 1 15 . 1 1 28 28 LYS N N 28 122.343 122.343 120.722 1.621 25917 2047 1 15 . 1 1 28 28 LYS HA H 28 4.106 4.106 3.801 0.305 25917 2048 1 15 . 1 1 28 28 LYS CA C 28 53.883 53.883 55.801 -1.918 25917 2049 1 15 . 1 1 28 28 LYS CB C 28 30.390 30.390 30.253 0.137 25917 2050 1 15 . 1 1 28 28 LYS H H 28 8.157 8.157 8.241 -0.084 25917 2051 1 15 . 1 1 29 29 LEU N N 29 118.006 118.006 123.078 -5.072 25917 2052 1 15 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.186 0.134 25917 2053 1 15 . 1 1 29 29 LEU CA C 29 52.134 52.134 54.089 -1.955 25917 2054 1 15 . 1 1 29 29 LEU CB C 29 26.262 26.262 42.781 -16.519 25917 2055 1 15 . 1 1 29 29 LEU H H 29 8.290 8.290 7.544 0.746 25917 2056 1 16 . 1 1 2 2 CYS N N 2 117.668 117.668 119.993 -2.325 25917 2057 1 16 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.397 0.697 25917 2058 1 16 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.387 -6.582 25917 2059 1 16 . 1 1 2 2 CYS CB C 2 40.451 40.451 27.867 12.584 25917 2060 1 16 . 1 1 2 2 CYS H H 2 8.171 8.171 7.741 0.430 25917 2061 1 16 . 1 1 3 3 GLN N N 3 117.434 117.434 122.230 -4.796 25917 2062 1 16 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.629 0.888 25917 2063 1 16 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.682 -2.671 25917 2064 1 16 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.015 0.955 25917 2065 1 16 . 1 1 3 3 GLN H H 3 9.221 9.221 8.591 0.630 25917 2066 1 16 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.153 -0.445 25917 2067 1 16 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.874 -3.368 25917 2068 1 16 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.304 -2.319 25917 2069 1 16 . 1 1 4 4 LYS H H 4 5.270 5.270 6.582 -1.312 25917 2070 1 16 . 1 1 5 5 TRP N N 5 118.577 118.577 123.824 -5.247 25917 2071 1 16 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.162 0.155 25917 2072 1 16 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.397 -2.806 25917 2073 1 16 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.854 -3.221 25917 2074 1 16 . 1 1 5 5 TRP H H 5 7.941 7.941 8.242 -0.301 25917 2075 1 16 . 1 1 6 6 MET N N 6 118.041 118.041 118.222 -0.181 25917 2076 1 16 . 1 1 6 6 MET HA H 6 3.924 3.924 4.687 -0.763 25917 2077 1 16 . 1 1 6 6 MET CA C 6 53.883 53.883 56.596 -2.713 25917 2078 1 16 . 1 1 6 6 MET CB C 6 27.846 27.846 31.341 -3.495 25917 2079 1 16 . 1 1 6 6 MET H H 6 9.139 9.139 7.375 1.764 25917 2080 1 16 . 1 1 7 7 TRP N N 7 121.757 121.757 125.323 -3.566 25917 2081 1 16 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.204 -0.129 25917 2082 1 16 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.517 -3.404 25917 2083 1 16 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.671 -6.752 25917 2084 1 16 . 1 1 7 7 TRP H H 7 8.676 8.676 8.263 0.413 25917 2085 1 16 . 1 1 8 8 THR N N 8 112.611 112.611 112.113 0.498 25917 2086 1 16 . 1 1 8 8 THR HA H 8 4.576 4.576 4.704 -0.128 25917 2087 1 16 . 1 1 8 8 THR CA C 8 60.134 60.134 61.209 -1.075 25917 2088 1 16 . 1 1 8 8 THR CB C 8 67.139 67.139 70.471 -3.332 25917 2089 1 16 . 1 1 8 8 THR H H 8 8.533 8.533 8.347 0.186 25917 2090 1 16 . 1 1 9 9 CYS N N 9 116.041 116.041 120.594 -4.553 25917 2091 1 16 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.848 0.350 25917 2092 1 16 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.810 -5.895 25917 2093 1 16 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.020 15.408 25917 2094 1 16 . 1 1 9 9 CYS H H 9 7.841 7.841 8.719 -0.878 25917 2095 1 16 . 1 1 10 10 ASP N N 10 118.399 118.399 120.074 -1.675 25917 2096 1 16 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.942 -0.509 25917 2097 1 16 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.025 -1.803 25917 2098 1 16 . 1 1 10 10 ASP CB C 10 37.016 37.016 45.023 -8.007 25917 2099 1 16 . 1 1 10 10 ASP H H 10 8.744 8.744 8.270 0.474 25917 2100 1 16 . 1 1 11 11 SER N N 11 112.253 112.253 114.815 -2.562 25917 2101 1 16 . 1 1 11 11 SER HA H 11 4.124 4.124 4.220 -0.096 25917 2102 1 16 . 1 1 11 11 SER CA C 11 59.020 59.020 60.863 -1.843 25917 2103 1 16 . 1 1 11 11 SER CB C 11 60.066 60.066 63.463 -3.397 25917 2104 1 16 . 1 1 11 11 SER H H 11 8.424 8.424 8.455 -0.031 25917 2105 1 16 . 1 1 12 12 GLU N N 12 124.186 124.186 120.310 3.876 25917 2106 1 16 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.196 0.285 25917 2107 1 16 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.599 -3.763 25917 2108 1 16 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.584 -2.721 25917 2109 1 16 . 1 1 12 12 GLU H H 12 8.239 8.239 8.318 -0.079 25917 2110 1 16 . 1 1 13 13 ARG N N 13 116.195 116.195 120.248 -4.053 25917 2111 1 16 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.345 0.212 25917 2112 1 16 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.271 -3.279 25917 2113 1 16 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.718 -2.942 25917 2114 1 16 . 1 1 13 13 ARG H H 13 8.194 8.194 8.012 0.182 25917 2115 1 16 . 1 1 14 14 LYS N N 14 121.150 121.150 125.518 -4.368 25917 2116 1 16 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.687 -0.282 25917 2117 1 16 . 1 1 14 14 LYS CA C 14 53.159 53.159 55.026 -1.867 25917 2118 1 16 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.483 -3.469 25917 2119 1 16 . 1 1 14 14 LYS H H 14 7.969 7.969 8.216 -0.247 25917 2120 1 16 . 1 1 15 15 CYS N N 15 119.435 119.435 122.378 -2.943 25917 2121 1 16 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.657 0.280 25917 2122 1 16 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.850 -5.757 25917 2123 1 16 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.621 12.383 25917 2124 1 16 . 1 1 15 15 CYS H H 15 9.162 9.162 8.641 0.521 25917 2125 1 16 . 1 1 16 16 CYS N N 16 120.864 120.864 125.946 -5.082 25917 2126 1 16 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.317 0.238 25917 2127 1 16 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.866 -9.504 25917 2128 1 16 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.579 9.654 25917 2129 1 16 . 1 1 16 16 CYS H H 16 9.123 9.123 8.631 0.492 25917 2130 1 16 . 1 1 17 17 GLU N N 17 118.077 118.077 118.563 -0.486 25917 2131 1 16 . 1 1 17 17 GLU HA H 17 4.083 4.083 4.058 0.025 25917 2132 1 16 . 1 1 17 17 GLU CA C 17 54.840 54.840 57.148 -2.308 25917 2133 1 16 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.804 -2.906 25917 2134 1 16 . 1 1 17 17 GLU H H 17 8.305 8.305 8.833 -0.528 25917 2135 1 16 . 1 1 18 18 GLY N N 18 111.182 111.182 106.790 4.392 25917 2136 1 16 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.605 -3.593 25917 2137 1 16 . 1 1 18 18 GLY H H 18 8.861 8.861 8.100 0.761 25917 2138 1 16 . 1 1 19 19 MET N N 19 117.827 117.827 118.359 -0.532 25917 2139 1 16 . 1 1 19 19 MET HA H 19 5.097 5.097 4.851 0.246 25917 2140 1 16 . 1 1 19 19 MET CA C 19 51.128 51.128 55.283 -4.155 25917 2141 1 16 . 1 1 19 19 MET CB C 19 34.904 34.904 34.955 -0.051 25917 2142 1 16 . 1 1 19 19 MET H H 19 7.528 7.528 7.632 -0.104 25917 2143 1 16 . 1 1 20 20 VAL N N 20 116.719 116.719 117.498 -0.779 25917 2144 1 16 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.260 0.213 25917 2145 1 16 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.573 -5.122 25917 2146 1 16 . 1 1 20 20 VAL CB C 20 32.117 32.117 32.428 -0.311 25917 2147 1 16 . 1 1 20 20 VAL H H 20 9.110 9.110 8.330 0.780 25917 2148 1 16 . 1 1 21 21 CYS N N 21 122.699 122.699 128.551 -5.852 25917 2149 1 16 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.770 0.038 25917 2150 1 16 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.272 -6.763 25917 2151 1 16 . 1 1 21 21 CYS CB C 21 37.078 37.078 25.200 11.878 25917 2152 1 16 . 1 1 21 21 CYS H H 21 8.943 8.943 8.857 0.086 25917 2153 1 16 . 1 1 22 22 ARG N N 22 134.904 134.904 124.807 10.097 25917 2154 1 16 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.523 -0.001 25917 2155 1 16 . 1 1 22 22 ARG CA C 22 52.576 52.576 54.826 -2.250 25917 2156 1 16 . 1 1 22 22 ARG CB C 22 33.792 33.792 30.951 2.841 25917 2157 1 16 . 1 1 22 22 ARG H H 22 8.248 8.248 8.000 0.248 25917 2158 1 16 . 1 1 23 23 LEU N N 23 123.936 123.936 120.634 3.302 25917 2159 1 16 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.984 -0.261 25917 2160 1 16 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.902 1.860 25917 2161 1 16 . 1 1 23 23 LEU CB C 23 37.343 37.343 42.018 -4.675 25917 2162 1 16 . 1 1 23 23 LEU H H 23 8.108 8.108 8.326 -0.218 25917 2163 1 16 . 1 1 24 24 TRP N N 24 123.699 123.699 116.905 6.794 25917 2164 1 16 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.263 0.056 25917 2165 1 16 . 1 1 24 24 TRP CA C 24 53.633 53.633 54.801 -1.168 25917 2166 1 16 . 1 1 24 24 TRP CB C 24 29.503 29.503 31.582 -2.079 25917 2167 1 16 . 1 1 24 24 TRP H H 24 8.115 8.115 7.713 0.402 25917 2168 1 16 . 1 1 25 25 CYS N N 25 118.684 118.684 124.839 -6.155 25917 2169 1 16 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.076 -0.161 25917 2170 1 16 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.067 -5.411 25917 2171 1 16 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.298 9.966 25917 2172 1 16 . 1 1 25 25 CYS H H 25 8.671 8.671 9.187 -0.516 25917 2173 1 16 . 1 1 26 26 LYS N N 26 124.865 124.865 124.235 0.630 25917 2174 1 16 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.706 0.267 25917 2175 1 16 . 1 1 26 26 LYS CA C 26 52.104 52.104 54.933 -2.829 25917 2176 1 16 . 1 1 26 26 LYS CB C 26 32.887 32.887 36.907 -4.020 25917 2177 1 16 . 1 1 26 26 LYS H H 26 9.316 9.316 8.503 0.813 25917 2178 1 16 . 1 1 27 27 LYS N N 27 119.792 119.792 121.337 -1.545 25917 2179 1 16 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.253 0.050 25917 2180 1 16 . 1 1 27 27 LYS C C 27 54.469 54.469 176.817 -122.348 25917 2181 1 16 . 1 1 27 27 LYS CB C 27 30.360 30.360 32.624 -2.264 25917 2182 1 16 . 1 1 27 27 LYS H H 27 8.461 8.461 8.759 -0.298 25917 2183 1 16 . 1 1 28 28 LYS N N 28 122.343 122.343 124.220 -1.877 25917 2184 1 16 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.392 -0.286 25917 2185 1 16 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.028 -2.144 25917 2186 1 16 . 1 1 28 28 LYS CB C 28 30.390 30.390 31.963 -1.573 25917 2187 1 16 . 1 1 28 28 LYS H H 28 8.157 8.157 8.581 -0.424 25917 2188 1 16 . 1 1 29 29 LEU N N 29 118.006 118.006 123.821 -5.815 25917 2189 1 16 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.225 0.095 25917 2190 1 16 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.835 -3.701 25917 2191 1 16 . 1 1 29 29 LEU CB C 29 26.262 26.262 42.354 -16.092 25917 2192 1 16 . 1 1 29 29 LEU H H 29 8.290 8.290 8.555 -0.265 25917 2193 1 17 . 1 1 2 2 CYS N N 2 117.668 117.668 120.383 -2.715 25917 2194 1 17 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.514 0.580 25917 2195 1 17 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.446 -6.641 25917 2196 1 17 . 1 1 2 2 CYS CB C 2 40.451 40.451 28.025 12.426 25917 2197 1 17 . 1 1 2 2 CYS H H 2 8.171 8.171 7.764 0.407 25917 2198 1 17 . 1 1 3 3 GLN N N 3 117.434 117.434 121.990 -4.556 25917 2199 1 17 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.615 0.902 25917 2200 1 17 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.778 -2.767 25917 2201 1 17 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.934 0.036 25917 2202 1 17 . 1 1 3 3 GLN H H 3 9.221 9.221 8.435 0.786 25917 2203 1 17 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.222 -0.514 25917 2204 1 17 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.591 -3.085 25917 2205 1 17 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.435 -2.450 25917 2206 1 17 . 1 1 4 4 LYS H H 4 5.270 5.270 6.849 -1.579 25917 2207 1 17 . 1 1 5 5 TRP N N 5 118.577 118.577 123.851 -5.274 25917 2208 1 17 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.165 0.152 25917 2209 1 17 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.561 -2.970 25917 2210 1 17 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.693 -3.061 25917 2211 1 17 . 1 1 5 5 TRP H H 5 7.941 7.941 8.405 -0.464 25917 2212 1 17 . 1 1 6 6 MET N N 6 118.041 118.041 119.026 -0.985 25917 2213 1 17 . 1 1 6 6 MET HA H 6 3.924 3.924 5.163 -1.239 25917 2214 1 17 . 1 1 6 6 MET CA C 6 53.883 53.883 56.886 -3.003 25917 2215 1 17 . 1 1 6 6 MET CB C 6 27.846 27.846 32.244 -4.398 25917 2216 1 17 . 1 1 6 6 MET H H 6 9.139 9.139 8.765 0.374 25917 2217 1 17 . 1 1 7 7 TRP N N 7 121.757 121.757 124.447 -2.690 25917 2218 1 17 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.244 -0.169 25917 2219 1 17 . 1 1 7 7 TRP CA C 7 53.113 53.113 55.913 -2.800 25917 2220 1 17 . 1 1 7 7 TRP CB C 7 26.919 26.919 34.004 -7.085 25917 2221 1 17 . 1 1 7 7 TRP H H 7 8.676 8.676 8.332 0.344 25917 2222 1 17 . 1 1 8 8 THR N N 8 112.611 112.611 113.836 -1.225 25917 2223 1 17 . 1 1 8 8 THR HA H 8 4.576 4.576 4.882 -0.306 25917 2224 1 17 . 1 1 8 8 THR CA C 8 60.134 60.134 61.199 -1.065 25917 2225 1 17 . 1 1 8 8 THR CB C 8 67.139 67.139 69.830 -2.691 25917 2226 1 17 . 1 1 8 8 THR H H 8 8.533 8.533 8.322 0.211 25917 2227 1 17 . 1 1 9 9 CYS N N 9 116.041 116.041 120.894 -4.853 25917 2228 1 17 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.693 0.505 25917 2229 1 17 . 1 1 9 9 CYS CA C 9 50.915 50.915 56.952 -6.037 25917 2230 1 17 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.677 14.751 25917 2231 1 17 . 1 1 9 9 CYS H H 9 7.841 7.841 8.242 -0.401 25917 2232 1 17 . 1 1 10 10 ASP N N 10 118.399 118.399 119.943 -1.544 25917 2233 1 17 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.862 -0.429 25917 2234 1 17 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.426 -2.204 25917 2235 1 17 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.352 -6.336 25917 2236 1 17 . 1 1 10 10 ASP H H 10 8.744 8.744 8.391 0.353 25917 2237 1 17 . 1 1 11 11 SER N N 11 112.253 112.253 114.202 -1.949 25917 2238 1 17 . 1 1 11 11 SER HA H 11 4.124 4.124 4.307 -0.183 25917 2239 1 17 . 1 1 11 11 SER CA C 11 59.020 59.020 60.304 -1.284 25917 2240 1 17 . 1 1 11 11 SER CB C 11 60.066 60.066 63.150 -3.084 25917 2241 1 17 . 1 1 11 11 SER H H 11 8.424 8.424 8.429 -0.005 25917 2242 1 17 . 1 1 12 12 GLU N N 12 124.186 124.186 119.686 4.500 25917 2243 1 17 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.268 0.213 25917 2244 1 17 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.132 -3.296 25917 2245 1 17 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.897 -3.034 25917 2246 1 17 . 1 1 12 12 GLU H H 12 8.239 8.239 8.118 0.121 25917 2247 1 17 . 1 1 13 13 ARG N N 13 116.195 116.195 121.531 -5.336 25917 2248 1 17 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.247 0.310 25917 2249 1 17 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.823 -3.831 25917 2250 1 17 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.122 -2.345 25917 2251 1 17 . 1 1 13 13 ARG H H 13 8.194 8.194 8.231 -0.037 25917 2252 1 17 . 1 1 14 14 LYS N N 14 121.150 121.150 123.077 -1.927 25917 2253 1 17 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.646 -0.241 25917 2254 1 17 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.873 -1.714 25917 2255 1 17 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.336 -3.321 25917 2256 1 17 . 1 1 14 14 LYS H H 14 7.969 7.969 8.105 -0.136 25917 2257 1 17 . 1 1 15 15 CYS N N 15 119.435 119.435 119.659 -0.224 25917 2258 1 17 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.814 0.123 25917 2259 1 17 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.853 -5.760 25917 2260 1 17 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.394 12.610 25917 2261 1 17 . 1 1 15 15 CYS H H 15 9.162 9.162 8.683 0.479 25917 2262 1 17 . 1 1 16 16 CYS N N 16 120.864 120.864 125.050 -4.186 25917 2263 1 17 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.299 0.256 25917 2264 1 17 . 1 1 16 16 CYS CA C 16 51.362 51.362 61.917 -10.555 25917 2265 1 17 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.399 9.834 25917 2266 1 17 . 1 1 16 16 CYS H H 16 9.123 9.123 8.569 0.554 25917 2267 1 17 . 1 1 17 17 GLU N N 17 118.077 118.077 120.014 -1.937 25917 2268 1 17 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.955 0.128 25917 2269 1 17 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.816 -1.976 25917 2270 1 17 . 1 1 17 17 GLU CB C 17 25.898 25.898 29.063 -3.165 25917 2271 1 17 . 1 1 17 17 GLU H H 17 8.305 8.305 8.954 -0.649 25917 2272 1 17 . 1 1 18 18 GLY N N 18 111.182 111.182 107.006 4.176 25917 2273 1 17 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.706 -3.694 25917 2274 1 17 . 1 1 18 18 GLY H H 18 8.861 8.861 7.935 0.926 25917 2275 1 17 . 1 1 19 19 MET N N 19 117.827 117.827 117.333 0.494 25917 2276 1 17 . 1 1 19 19 MET HA H 19 5.097 5.097 4.412 0.685 25917 2277 1 17 . 1 1 19 19 MET CA C 19 51.128 51.128 54.955 -3.827 25917 2278 1 17 . 1 1 19 19 MET CB C 19 34.904 34.904 34.636 0.268 25917 2279 1 17 . 1 1 19 19 MET H H 19 7.528 7.528 7.433 0.095 25917 2280 1 17 . 1 1 20 20 VAL N N 20 116.719 116.719 120.966 -4.247 25917 2281 1 17 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.145 0.328 25917 2282 1 17 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.369 -4.918 25917 2283 1 17 . 1 1 20 20 VAL CB C 20 32.117 32.117 33.732 -1.615 25917 2284 1 17 . 1 1 20 20 VAL H H 20 9.110 9.110 8.229 0.881 25917 2285 1 17 . 1 1 21 21 CYS N N 21 122.699 122.699 128.724 -6.025 25917 2286 1 17 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.886 -0.078 25917 2287 1 17 . 1 1 21 21 CYS CA C 21 52.509 52.509 58.997 -6.488 25917 2288 1 17 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.949 10.129 25917 2289 1 17 . 1 1 21 21 CYS H H 21 8.943 8.943 8.732 0.211 25917 2290 1 17 . 1 1 22 22 ARG N N 22 134.904 134.904 125.703 9.201 25917 2291 1 17 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.480 0.042 25917 2292 1 17 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.662 -3.086 25917 2293 1 17 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.096 2.696 25917 2294 1 17 . 1 1 22 22 ARG H H 22 8.248 8.248 8.209 0.039 25917 2295 1 17 . 1 1 23 23 LEU N N 23 123.936 123.936 121.450 2.486 25917 2296 1 17 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.001 -0.278 25917 2297 1 17 . 1 1 23 23 LEU CA C 23 58.762 58.762 57.107 1.655 25917 2298 1 17 . 1 1 23 23 LEU CB C 23 37.343 37.343 42.096 -4.753 25917 2299 1 17 . 1 1 23 23 LEU H H 23 8.108 8.108 8.287 -0.179 25917 2300 1 17 . 1 1 24 24 TRP N N 24 123.699 123.699 116.641 7.058 25917 2301 1 17 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.301 0.018 25917 2302 1 17 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.303 -1.671 25917 2303 1 17 . 1 1 24 24 TRP CB C 24 29.503 29.503 31.752 -2.249 25917 2304 1 17 . 1 1 24 24 TRP H H 24 8.115 8.115 7.777 0.338 25917 2305 1 17 . 1 1 25 25 CYS N N 25 118.684 118.684 124.569 -5.885 25917 2306 1 17 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.191 -0.276 25917 2307 1 17 . 1 1 25 25 CYS CA C 25 53.656 53.656 58.825 -5.169 25917 2308 1 17 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.410 9.854 25917 2309 1 17 . 1 1 25 25 CYS H H 25 8.671 8.671 9.344 -0.673 25917 2310 1 17 . 1 1 26 26 LYS N N 26 124.865 124.865 123.151 1.714 25917 2311 1 17 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.689 0.284 25917 2312 1 17 . 1 1 26 26 LYS CA C 26 52.104 52.104 54.706 -2.602 25917 2313 1 17 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.260 -4.373 25917 2314 1 17 . 1 1 26 26 LYS H H 26 9.316 9.316 8.061 1.255 25917 2315 1 17 . 1 1 27 27 LYS N N 27 119.792 119.792 120.991 -1.199 25917 2316 1 17 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.216 0.087 25917 2317 1 17 . 1 1 27 27 LYS C C 27 54.469 54.469 176.100 -121.631 25917 2318 1 17 . 1 1 27 27 LYS CB C 27 30.360 30.360 32.826 -2.466 25917 2319 1 17 . 1 1 27 27 LYS H H 27 8.461 8.461 8.027 0.434 25917 2320 1 17 . 1 1 28 28 LYS N N 28 122.343 122.343 121.867 0.476 25917 2321 1 17 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.071 0.035 25917 2322 1 17 . 1 1 28 28 LYS CA C 28 53.883 53.883 57.128 -3.245 25917 2323 1 17 . 1 1 28 28 LYS CB C 28 30.390 30.390 31.660 -1.270 25917 2324 1 17 . 1 1 28 28 LYS H H 28 8.157 8.157 8.275 -0.118 25917 2325 1 17 . 1 1 29 29 LEU N N 29 118.006 118.006 124.964 -6.958 25917 2326 1 17 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.512 -0.192 25917 2327 1 17 . 1 1 29 29 LEU CA C 29 52.134 52.134 54.422 -2.288 25917 2328 1 17 . 1 1 29 29 LEU CB C 29 26.262 26.262 42.391 -16.129 25917 2329 1 17 . 1 1 29 29 LEU H H 29 8.290 8.290 8.536 -0.246 25917 2330 1 18 . 1 1 2 2 CYS N N 2 117.668 117.668 120.883 -3.215 25917 2331 1 18 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.600 0.494 25917 2332 1 18 . 1 1 2 2 CYS CA C 2 51.805 51.805 58.564 -6.759 25917 2333 1 18 . 1 1 2 2 CYS CB C 2 40.451 40.451 28.418 12.033 25917 2334 1 18 . 1 1 2 2 CYS H H 2 8.171 8.171 8.460 -0.289 25917 2335 1 18 . 1 1 3 3 GLN N N 3 117.434 117.434 121.887 -4.453 25917 2336 1 18 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.357 1.160 25917 2337 1 18 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.700 -2.689 25917 2338 1 18 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.431 0.538 25917 2339 1 18 . 1 1 3 3 GLN H H 3 9.221 9.221 8.450 0.771 25917 2340 1 18 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.216 -0.508 25917 2341 1 18 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.572 -3.066 25917 2342 1 18 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.672 -2.687 25917 2343 1 18 . 1 1 4 4 LYS H H 4 5.270 5.270 6.520 -1.250 25917 2344 1 18 . 1 1 5 5 TRP N N 5 118.577 118.577 124.876 -6.299 25917 2345 1 18 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.158 0.159 25917 2346 1 18 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.526 -2.935 25917 2347 1 18 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.960 -3.328 25917 2348 1 18 . 1 1 5 5 TRP H H 5 7.941 7.941 8.034 -0.093 25917 2349 1 18 . 1 1 6 6 MET N N 6 118.041 118.041 118.771 -0.730 25917 2350 1 18 . 1 1 6 6 MET HA H 6 3.924 3.924 4.910 -0.986 25917 2351 1 18 . 1 1 6 6 MET CA C 6 53.883 53.883 56.695 -2.812 25917 2352 1 18 . 1 1 6 6 MET CB C 6 27.846 27.846 31.575 -3.729 25917 2353 1 18 . 1 1 6 6 MET H H 6 9.139 9.139 7.755 1.384 25917 2354 1 18 . 1 1 7 7 TRP N N 7 121.757 121.757 125.207 -3.450 25917 2355 1 18 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.205 -0.130 25917 2356 1 18 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.450 -3.337 25917 2357 1 18 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.740 -6.821 25917 2358 1 18 . 1 1 7 7 TRP H H 7 8.676 8.676 8.349 0.327 25917 2359 1 18 . 1 1 8 8 THR N N 8 112.611 112.611 112.936 -0.325 25917 2360 1 18 . 1 1 8 8 THR HA H 8 4.576 4.576 4.678 -0.102 25917 2361 1 18 . 1 1 8 8 THR CA C 8 60.134 60.134 61.212 -1.078 25917 2362 1 18 . 1 1 8 8 THR CB C 8 67.139 67.139 70.197 -3.058 25917 2363 1 18 . 1 1 8 8 THR H H 8 8.533 8.533 8.397 0.136 25917 2364 1 18 . 1 1 9 9 CYS N N 9 116.041 116.041 120.868 -4.827 25917 2365 1 18 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.738 0.460 25917 2366 1 18 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.125 -6.210 25917 2367 1 18 . 1 1 9 9 CYS CB C 9 45.428 45.428 29.903 15.525 25917 2368 1 18 . 1 1 9 9 CYS H H 9 7.841 7.841 8.669 -0.828 25917 2369 1 18 . 1 1 10 10 ASP N N 10 118.399 118.399 119.413 -1.014 25917 2370 1 18 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.854 -0.421 25917 2371 1 18 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.464 -2.242 25917 2372 1 18 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.621 -6.605 25917 2373 1 18 . 1 1 10 10 ASP H H 10 8.744 8.744 8.641 0.103 25917 2374 1 18 . 1 1 11 11 SER N N 11 112.253 112.253 114.726 -2.473 25917 2375 1 18 . 1 1 11 11 SER HA H 11 4.124 4.124 4.387 -0.263 25917 2376 1 18 . 1 1 11 11 SER CA C 11 59.020 59.020 60.190 -1.170 25917 2377 1 18 . 1 1 11 11 SER CB C 11 60.066 60.066 63.394 -3.328 25917 2378 1 18 . 1 1 11 11 SER H H 11 8.424 8.424 8.533 -0.109 25917 2379 1 18 . 1 1 12 12 GLU N N 12 124.186 124.186 118.725 5.461 25917 2380 1 18 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.291 0.190 25917 2381 1 18 . 1 1 12 12 GLU CA C 12 53.836 53.836 56.995 -3.159 25917 2382 1 18 . 1 1 12 12 GLU CB C 12 26.863 26.863 30.491 -3.628 25917 2383 1 18 . 1 1 12 12 GLU H H 12 8.239 8.239 8.057 0.182 25917 2384 1 18 . 1 1 13 13 ARG N N 13 116.195 116.195 122.013 -5.818 25917 2385 1 18 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.226 0.331 25917 2386 1 18 . 1 1 13 13 ARG CA C 13 51.992 51.992 56.060 -4.068 25917 2387 1 18 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.196 -2.420 25917 2388 1 18 . 1 1 13 13 ARG H H 13 8.194 8.194 8.104 0.090 25917 2389 1 18 . 1 1 14 14 LYS N N 14 121.150 121.150 125.089 -3.939 25917 2390 1 18 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.615 -0.210 25917 2391 1 18 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.124 -0.965 25917 2392 1 18 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.510 -3.496 25917 2393 1 18 . 1 1 14 14 LYS H H 14 7.969 7.969 8.112 -0.143 25917 2394 1 18 . 1 1 15 15 CYS N N 15 119.435 119.435 119.133 0.302 25917 2395 1 18 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.715 0.222 25917 2396 1 18 . 1 1 15 15 CYS CA C 15 53.093 53.093 59.064 -5.971 25917 2397 1 18 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.775 12.229 25917 2398 1 18 . 1 1 15 15 CYS H H 15 9.162 9.162 8.695 0.467 25917 2399 1 18 . 1 1 16 16 CYS N N 16 120.864 120.864 124.974 -4.110 25917 2400 1 18 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.283 0.272 25917 2401 1 18 . 1 1 16 16 CYS CA C 16 51.362 51.362 62.003 -10.641 25917 2402 1 18 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.277 9.956 25917 2403 1 18 . 1 1 16 16 CYS H H 16 9.123 9.123 8.691 0.432 25917 2404 1 18 . 1 1 17 17 GLU N N 17 118.077 118.077 118.366 -0.289 25917 2405 1 18 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.990 0.093 25917 2406 1 18 . 1 1 17 17 GLU CA C 17 54.840 54.840 57.277 -2.437 25917 2407 1 18 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.720 -2.822 25917 2408 1 18 . 1 1 17 17 GLU H H 17 8.305 8.305 8.955 -0.650 25917 2409 1 18 . 1 1 18 18 GLY N N 18 111.182 111.182 107.189 3.993 25917 2410 1 18 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.541 -3.529 25917 2411 1 18 . 1 1 18 18 GLY H H 18 8.861 8.861 7.767 1.094 25917 2412 1 18 . 1 1 19 19 MET N N 19 117.827 117.827 118.403 -0.576 25917 2413 1 18 . 1 1 19 19 MET HA H 19 5.097 5.097 4.523 0.574 25917 2414 1 18 . 1 1 19 19 MET CA C 19 51.128 51.128 55.096 -3.967 25917 2415 1 18 . 1 1 19 19 MET CB C 19 34.904 34.904 34.976 -0.072 25917 2416 1 18 . 1 1 19 19 MET H H 19 7.528 7.528 7.601 -0.073 25917 2417 1 18 . 1 1 20 20 VAL N N 20 116.719 116.719 121.810 -5.091 25917 2418 1 18 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.039 0.434 25917 2419 1 18 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.765 -5.314 25917 2420 1 18 . 1 1 20 20 VAL CB C 20 32.117 32.117 30.840 1.277 25917 2421 1 18 . 1 1 20 20 VAL H H 20 9.110 9.110 8.684 0.426 25917 2422 1 18 . 1 1 21 21 CYS N N 21 122.699 122.699 128.980 -6.281 25917 2423 1 18 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.682 0.126 25917 2424 1 18 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.432 -6.923 25917 2425 1 18 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.765 10.313 25917 2426 1 18 . 1 1 21 21 CYS H H 21 8.943 8.943 8.785 0.158 25917 2427 1 18 . 1 1 22 22 ARG N N 22 134.904 134.904 125.813 9.091 25917 2428 1 18 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.488 0.034 25917 2429 1 18 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.553 -2.978 25917 2430 1 18 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.252 2.540 25917 2431 1 18 . 1 1 22 22 ARG H H 22 8.248 8.248 8.078 0.170 25917 2432 1 18 . 1 1 23 23 LEU N N 23 123.936 123.936 120.775 3.161 25917 2433 1 18 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.999 -0.276 25917 2434 1 18 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.999 1.763 25917 2435 1 18 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.944 -4.601 25917 2436 1 18 . 1 1 23 23 LEU H H 23 8.108 8.108 8.231 -0.123 25917 2437 1 18 . 1 1 24 24 TRP N N 24 123.699 123.699 116.244 7.455 25917 2438 1 18 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.306 0.013 25917 2439 1 18 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.039 -1.406 25917 2440 1 18 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.206 -2.703 25917 2441 1 18 . 1 1 24 24 TRP H H 24 8.115 8.115 7.764 0.351 25917 2442 1 18 . 1 1 25 25 CYS N N 25 118.684 118.684 122.821 -4.137 25917 2443 1 18 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.443 -0.528 25917 2444 1 18 . 1 1 25 25 CYS CA C 25 53.656 53.656 58.578 -4.922 25917 2445 1 18 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.172 10.092 25917 2446 1 18 . 1 1 25 25 CYS H H 25 8.671 8.671 9.162 -0.491 25917 2447 1 18 . 1 1 26 26 LYS N N 26 124.865 124.865 122.935 1.930 25917 2448 1 18 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.914 0.059 25917 2449 1 18 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.426 -3.322 25917 2450 1 18 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.300 -4.413 25917 2451 1 18 . 1 1 26 26 LYS H H 26 9.316 9.316 8.300 1.016 25917 2452 1 18 . 1 1 27 27 LYS N N 27 119.792 119.792 120.520 -0.728 25917 2453 1 18 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.484 -0.181 25917 2454 1 18 . 1 1 27 27 LYS C C 27 54.469 54.469 176.372 -121.903 25917 2455 1 18 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.371 -3.011 25917 2456 1 18 . 1 1 27 27 LYS H H 27 8.461 8.461 8.486 -0.025 25917 2457 1 18 . 1 1 28 28 LYS N N 28 122.343 122.343 121.164 1.179 25917 2458 1 18 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.094 0.012 25917 2459 1 18 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.424 -2.541 25917 2460 1 18 . 1 1 28 28 LYS CB C 28 30.390 30.390 30.660 -0.270 25917 2461 1 18 . 1 1 28 28 LYS H H 28 8.157 8.157 8.486 -0.329 25917 2462 1 18 . 1 1 29 29 LEU N N 29 118.006 118.006 123.173 -5.167 25917 2463 1 18 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.387 -0.067 25917 2464 1 18 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.597 -3.463 25917 2465 1 18 . 1 1 29 29 LEU CB C 29 26.262 26.262 43.501 -17.239 25917 2466 1 18 . 1 1 29 29 LEU H H 29 8.290 8.290 8.145 0.145 25917 2467 1 19 . 1 1 2 2 CYS N N 2 117.668 117.668 120.462 -2.794 25917 2468 1 19 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.819 0.275 25917 2469 1 19 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.929 -6.125 25917 2470 1 19 . 1 1 2 2 CYS CB C 2 40.451 40.451 29.931 10.520 25917 2471 1 19 . 1 1 2 2 CYS H H 2 8.171 8.171 7.970 0.201 25917 2472 1 19 . 1 1 3 3 GLN N N 3 117.434 117.434 123.095 -5.661 25917 2473 1 19 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.500 1.017 25917 2474 1 19 . 1 1 3 3 GLN CA C 3 52.011 52.011 53.970 -1.959 25917 2475 1 19 . 1 1 3 3 GLN CB C 3 28.970 28.970 29.049 -0.079 25917 2476 1 19 . 1 1 3 3 GLN H H 3 9.221 9.221 8.329 0.892 25917 2477 1 19 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.234 -0.526 25917 2478 1 19 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.310 -2.804 25917 2479 1 19 . 1 1 4 4 LYS CB C 4 29.985 29.985 31.518 -1.533 25917 2480 1 19 . 1 1 4 4 LYS H H 4 5.270 5.270 6.716 -1.446 25917 2481 1 19 . 1 1 5 5 TRP N N 5 118.577 118.577 124.244 -5.667 25917 2482 1 19 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.142 0.175 25917 2483 1 19 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.517 -2.926 25917 2484 1 19 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.704 -3.072 25917 2485 1 19 . 1 1 5 5 TRP H H 5 7.941 7.941 8.280 -0.339 25917 2486 1 19 . 1 1 6 6 MET N N 6 118.041 118.041 118.818 -0.777 25917 2487 1 19 . 1 1 6 6 MET HA H 6 3.924 3.924 4.753 -0.829 25917 2488 1 19 . 1 1 6 6 MET CA C 6 53.883 53.883 56.459 -2.576 25917 2489 1 19 . 1 1 6 6 MET CB C 6 27.846 27.846 31.392 -3.546 25917 2490 1 19 . 1 1 6 6 MET H H 6 9.139 9.139 7.477 1.662 25917 2491 1 19 . 1 1 7 7 TRP N N 7 121.757 121.757 124.979 -3.222 25917 2492 1 19 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.249 -0.174 25917 2493 1 19 . 1 1 7 7 TRP CA C 7 53.113 53.113 55.844 -2.731 25917 2494 1 19 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.658 -6.739 25917 2495 1 19 . 1 1 7 7 TRP H H 7 8.676 8.676 8.268 0.408 25917 2496 1 19 . 1 1 8 8 THR N N 8 112.611 112.611 113.786 -1.175 25917 2497 1 19 . 1 1 8 8 THR HA H 8 4.576 4.576 4.539 0.037 25917 2498 1 19 . 1 1 8 8 THR CA C 8 60.134 60.134 61.310 -1.176 25917 2499 1 19 . 1 1 8 8 THR CB C 8 67.139 67.139 69.886 -2.748 25917 2500 1 19 . 1 1 8 8 THR H H 8 8.533 8.533 8.360 0.173 25917 2501 1 19 . 1 1 9 9 CYS N N 9 116.041 116.041 121.496 -5.455 25917 2502 1 19 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.713 0.485 25917 2503 1 19 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.166 -6.251 25917 2504 1 19 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.645 14.783 25917 2505 1 19 . 1 1 9 9 CYS H H 9 7.841 7.841 8.405 -0.564 25917 2506 1 19 . 1 1 10 10 ASP N N 10 118.399 118.399 120.197 -1.798 25917 2507 1 19 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.921 -0.488 25917 2508 1 19 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.530 -2.308 25917 2509 1 19 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.273 -6.257 25917 2510 1 19 . 1 1 10 10 ASP H H 10 8.744 8.744 8.529 0.215 25917 2511 1 19 . 1 1 11 11 SER N N 11 112.253 112.253 115.159 -2.906 25917 2512 1 19 . 1 1 11 11 SER HA H 11 4.124 4.124 4.356 -0.232 25917 2513 1 19 . 1 1 11 11 SER CA C 11 59.020 59.020 61.253 -2.233 25917 2514 1 19 . 1 1 11 11 SER CB C 11 60.066 60.066 63.360 -3.294 25917 2515 1 19 . 1 1 11 11 SER H H 11 8.424 8.424 8.485 -0.061 25917 2516 1 19 . 1 1 12 12 GLU N N 12 124.186 124.186 120.203 3.983 25917 2517 1 19 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.370 0.111 25917 2518 1 19 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.182 -3.346 25917 2519 1 19 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.607 -2.744 25917 2520 1 19 . 1 1 12 12 GLU H H 12 8.239 8.239 8.164 0.075 25917 2521 1 19 . 1 1 13 13 ARG N N 13 116.195 116.195 120.906 -4.711 25917 2522 1 19 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.259 0.298 25917 2523 1 19 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.975 -3.983 25917 2524 1 19 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.174 -2.398 25917 2525 1 19 . 1 1 13 13 ARG H H 13 8.194 8.194 8.029 0.165 25917 2526 1 19 . 1 1 14 14 LYS N N 14 121.150 121.150 123.529 -2.379 25917 2527 1 19 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.669 -0.264 25917 2528 1 19 . 1 1 14 14 LYS CA C 14 53.159 53.159 55.010 -1.851 25917 2529 1 19 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.048 -3.034 25917 2530 1 19 . 1 1 14 14 LYS H H 14 7.969 7.969 7.788 0.181 25917 2531 1 19 . 1 1 15 15 CYS N N 15 119.435 119.435 121.859 -2.424 25917 2532 1 19 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.825 0.112 25917 2533 1 19 . 1 1 15 15 CYS CA C 15 53.093 53.093 59.289 -6.196 25917 2534 1 19 . 1 1 15 15 CYS CB C 15 38.004 38.004 26.195 11.809 25917 2535 1 19 . 1 1 15 15 CYS H H 15 9.162 9.162 8.716 0.446 25917 2536 1 19 . 1 1 16 16 CYS N N 16 120.864 120.864 124.830 -3.966 25917 2537 1 19 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.208 0.347 25917 2538 1 19 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.562 -9.200 25917 2539 1 19 . 1 1 16 16 CYS CB C 16 37.233 37.233 26.873 10.360 25917 2540 1 19 . 1 1 16 16 CYS H H 16 9.123 9.123 8.971 0.152 25917 2541 1 19 . 1 1 17 17 GLU N N 17 118.077 118.077 117.904 0.173 25917 2542 1 19 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.921 0.162 25917 2543 1 19 . 1 1 17 17 GLU CA C 17 54.840 54.840 57.400 -2.560 25917 2544 1 19 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.151 -2.253 25917 2545 1 19 . 1 1 17 17 GLU H H 17 8.305 8.305 9.036 -0.731 25917 2546 1 19 . 1 1 18 18 GLY N N 18 111.182 111.182 107.728 3.454 25917 2547 1 19 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.647 -3.635 25917 2548 1 19 . 1 1 18 18 GLY H H 18 8.861 8.861 7.861 1.000 25917 2549 1 19 . 1 1 19 19 MET N N 19 117.827 117.827 118.394 -0.567 25917 2550 1 19 . 1 1 19 19 MET HA H 19 5.097 5.097 4.567 0.530 25917 2551 1 19 . 1 1 19 19 MET CA C 19 51.128 51.128 55.486 -4.358 25917 2552 1 19 . 1 1 19 19 MET CB C 19 34.904 34.904 34.922 -0.018 25917 2553 1 19 . 1 1 19 19 MET H H 19 7.528 7.528 7.549 -0.021 25917 2554 1 19 . 1 1 20 20 VAL N N 20 116.719 116.719 121.557 -4.838 25917 2555 1 19 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.074 0.399 25917 2556 1 19 . 1 1 20 20 VAL CA C 20 56.451 56.451 62.366 -5.915 25917 2557 1 19 . 1 1 20 20 VAL CB C 20 32.117 32.117 32.784 -0.667 25917 2558 1 19 . 1 1 20 20 VAL H H 20 9.110 9.110 8.126 0.984 25917 2559 1 19 . 1 1 21 21 CYS N N 21 122.699 122.699 128.110 -5.411 25917 2560 1 19 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.784 0.024 25917 2561 1 19 . 1 1 21 21 CYS CA C 21 52.509 52.509 58.976 -6.467 25917 2562 1 19 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.210 10.868 25917 2563 1 19 . 1 1 21 21 CYS H H 21 8.943 8.943 8.726 0.217 25917 2564 1 19 . 1 1 22 22 ARG N N 22 134.904 134.904 125.254 9.650 25917 2565 1 19 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.528 -0.006 25917 2566 1 19 . 1 1 22 22 ARG CA C 22 52.576 52.576 54.917 -2.341 25917 2567 1 19 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.198 2.594 25917 2568 1 19 . 1 1 22 22 ARG H H 22 8.248 8.248 8.202 0.046 25917 2569 1 19 . 1 1 23 23 LEU N N 23 123.936 123.936 121.077 2.859 25917 2570 1 19 . 1 1 23 23 LEU HA H 23 3.723 3.723 3.922 -0.199 25917 2571 1 19 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.989 1.773 25917 2572 1 19 . 1 1 23 23 LEU CB C 23 37.343 37.343 42.125 -4.782 25917 2573 1 19 . 1 1 23 23 LEU H H 23 8.108 8.108 8.393 -0.285 25917 2574 1 19 . 1 1 24 24 TRP N N 24 123.699 123.699 116.504 7.195 25917 2575 1 19 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.131 0.188 25917 2576 1 19 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.238 -1.605 25917 2577 1 19 . 1 1 24 24 TRP CB C 24 29.503 29.503 32.159 -2.656 25917 2578 1 19 . 1 1 24 24 TRP H H 24 8.115 8.115 7.765 0.350 25917 2579 1 19 . 1 1 25 25 CYS N N 25 118.684 118.684 123.910 -5.226 25917 2580 1 19 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.113 -0.198 25917 2581 1 19 . 1 1 25 25 CYS CA C 25 53.656 53.656 58.850 -5.194 25917 2582 1 19 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.142 10.122 25917 2583 1 19 . 1 1 25 25 CYS H H 25 8.671 8.671 9.203 -0.532 25917 2584 1 19 . 1 1 26 26 LYS N N 26 124.865 124.865 124.664 0.201 25917 2585 1 19 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.805 0.168 25917 2586 1 19 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.184 -3.080 25917 2587 1 19 . 1 1 26 26 LYS CB C 26 32.887 32.887 36.884 -3.997 25917 2588 1 19 . 1 1 26 26 LYS H H 26 9.316 9.316 8.543 0.773 25917 2589 1 19 . 1 1 27 27 LYS N N 27 119.792 119.792 120.252 -0.460 25917 2590 1 19 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.374 -0.071 25917 2591 1 19 . 1 1 27 27 LYS C C 27 54.469 54.469 176.513 -122.044 25917 2592 1 19 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.192 -2.832 25917 2593 1 19 . 1 1 27 27 LYS H H 27 8.461 8.461 8.540 -0.079 25917 2594 1 19 . 1 1 28 28 LYS N N 28 122.343 122.343 121.710 0.633 25917 2595 1 19 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.332 -0.226 25917 2596 1 19 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.729 -2.846 25917 2597 1 19 . 1 1 28 28 LYS CB C 28 30.390 30.390 32.340 -1.950 25917 2598 1 19 . 1 1 28 28 LYS H H 28 8.157 8.157 8.602 -0.445 25917 2599 1 19 . 1 1 29 29 LEU N N 29 118.006 118.006 127.145 -9.139 25917 2600 1 19 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.459 -0.139 25917 2601 1 19 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.771 -3.637 25917 2602 1 19 . 1 1 29 29 LEU CB C 29 26.262 26.262 42.337 -16.075 25917 2603 1 19 . 1 1 29 29 LEU H H 29 8.290 8.290 8.807 -0.517 25917 2604 1 20 . 1 1 2 2 CYS N N 2 117.668 117.668 121.397 -3.729 25917 2605 1 20 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.671 0.423 25917 2606 1 20 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.298 -5.493 25917 2607 1 20 . 1 1 2 2 CYS CB C 2 40.451 40.451 28.430 12.021 25917 2608 1 20 . 1 1 2 2 CYS H H 2 8.171 8.171 7.891 0.280 25917 2609 1 20 . 1 1 3 3 GLN N N 3 117.434 117.434 125.178 -7.744 25917 2610 1 20 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.505 1.012 25917 2611 1 20 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.126 -2.115 25917 2612 1 20 . 1 1 3 3 GLN CB C 3 28.970 28.970 27.743 1.227 25917 2613 1 20 . 1 1 3 3 GLN H H 3 9.221 9.221 8.255 0.966 25917 2614 1 20 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.197 -0.488 25917 2615 1 20 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.909 -3.403 25917 2616 1 20 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.421 -2.436 25917 2617 1 20 . 1 1 4 4 LYS H H 4 5.270 5.270 6.525 -1.255 25917 2618 1 20 . 1 1 5 5 TRP N N 5 118.577 118.577 123.498 -4.921 25917 2619 1 20 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.280 0.037 25917 2620 1 20 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.637 -3.046 25917 2621 1 20 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.783 -3.151 25917 2622 1 20 . 1 1 5 5 TRP H H 5 7.941 7.941 8.419 -0.478 25917 2623 1 20 . 1 1 6 6 MET N N 6 118.041 118.041 118.573 -0.532 25917 2624 1 20 . 1 1 6 6 MET HA H 6 3.924 3.924 5.048 -1.124 25917 2625 1 20 . 1 1 6 6 MET CA C 6 53.883 53.883 56.935 -3.052 25917 2626 1 20 . 1 1 6 6 MET CB C 6 27.846 27.846 31.984 -4.138 25917 2627 1 20 . 1 1 6 6 MET H H 6 9.139 9.139 8.720 0.419 25917 2628 1 20 . 1 1 7 7 TRP N N 7 121.757 121.757 125.555 -3.798 25917 2629 1 20 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.278 -0.203 25917 2630 1 20 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.715 -3.602 25917 2631 1 20 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.749 -6.830 25917 2632 1 20 . 1 1 7 7 TRP H H 7 8.676 8.676 8.412 0.264 25917 2633 1 20 . 1 1 8 8 THR N N 8 112.611 112.611 112.048 0.563 25917 2634 1 20 . 1 1 8 8 THR HA H 8 4.576 4.576 4.708 -0.132 25917 2635 1 20 . 1 1 8 8 THR CA C 8 60.134 60.134 61.213 -1.079 25917 2636 1 20 . 1 1 8 8 THR CB C 8 67.139 67.139 70.563 -3.424 25917 2637 1 20 . 1 1 8 8 THR H H 8 8.533 8.533 8.422 0.111 25917 2638 1 20 . 1 1 9 9 CYS N N 9 116.041 116.041 118.351 -2.310 25917 2639 1 20 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.749 0.449 25917 2640 1 20 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.316 -6.401 25917 2641 1 20 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.437 14.991 25917 2642 1 20 . 1 1 9 9 CYS H H 9 7.841 7.841 8.535 -0.694 25917 2643 1 20 . 1 1 10 10 ASP N N 10 118.399 118.399 121.411 -3.012 25917 2644 1 20 . 1 1 10 10 ASP HA H 10 4.433 4.433 5.027 -0.594 25917 2645 1 20 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.424 -2.202 25917 2646 1 20 . 1 1 10 10 ASP CB C 10 37.016 37.016 44.307 -7.291 25917 2647 1 20 . 1 1 10 10 ASP H H 10 8.744 8.744 8.402 0.342 25917 2648 1 20 . 1 1 11 11 SER N N 11 112.253 112.253 114.922 -2.669 25917 2649 1 20 . 1 1 11 11 SER HA H 11 4.124 4.124 4.269 -0.145 25917 2650 1 20 . 1 1 11 11 SER CA C 11 59.020 59.020 60.666 -1.645 25917 2651 1 20 . 1 1 11 11 SER CB C 11 60.066 60.066 63.347 -3.281 25917 2652 1 20 . 1 1 11 11 SER H H 11 8.424 8.424 8.464 -0.040 25917 2653 1 20 . 1 1 12 12 GLU N N 12 124.186 124.186 119.542 4.644 25917 2654 1 20 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.417 0.064 25917 2655 1 20 . 1 1 12 12 GLU CA C 12 53.836 53.836 56.325 -2.489 25917 2656 1 20 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.902 -3.039 25917 2657 1 20 . 1 1 12 12 GLU H H 12 8.239 8.239 8.332 -0.093 25917 2658 1 20 . 1 1 13 13 ARG N N 13 116.195 116.195 121.403 -5.208 25917 2659 1 20 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.334 0.223 25917 2660 1 20 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.766 -3.774 25917 2661 1 20 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.772 -2.996 25917 2662 1 20 . 1 1 13 13 ARG H H 13 8.194 8.194 7.984 0.210 25917 2663 1 20 . 1 1 14 14 LYS N N 14 121.150 121.150 124.887 -3.737 25917 2664 1 20 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.727 -0.322 25917 2665 1 20 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.526 -1.367 25917 2666 1 20 . 1 1 14 14 LYS CB C 14 31.014 31.014 33.673 -2.659 25917 2667 1 20 . 1 1 14 14 LYS H H 14 7.969 7.969 8.001 -0.032 25917 2668 1 20 . 1 1 15 15 CYS N N 15 119.435 119.435 122.011 -2.576 25917 2669 1 20 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.546 0.391 25917 2670 1 20 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.891 -5.798 25917 2671 1 20 . 1 1 15 15 CYS CB C 15 38.004 38.004 26.069 11.935 25917 2672 1 20 . 1 1 15 15 CYS H H 15 9.162 9.162 8.522 0.640 25917 2673 1 20 . 1 1 16 16 CYS N N 16 120.864 120.864 124.389 -3.525 25917 2674 1 20 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.169 0.386 25917 2675 1 20 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.591 -9.229 25917 2676 1 20 . 1 1 16 16 CYS CB C 16 37.233 37.233 26.690 10.543 25917 2677 1 20 . 1 1 16 16 CYS H H 16 9.123 9.123 8.511 0.612 25917 2678 1 20 . 1 1 17 17 GLU N N 17 118.077 118.077 120.176 -2.099 25917 2679 1 20 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.938 0.145 25917 2680 1 20 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.642 -1.802 25917 2681 1 20 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.789 -2.891 25917 2682 1 20 . 1 1 17 17 GLU H H 17 8.305 8.305 8.966 -0.661 25917 2683 1 20 . 1 1 18 18 GLY N N 18 111.182 111.182 106.310 4.872 25917 2684 1 20 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.785 -3.773 25917 2685 1 20 . 1 1 18 18 GLY H H 18 8.861 8.861 7.952 0.909 25917 2686 1 20 . 1 1 19 19 MET N N 19 117.827 117.827 117.034 0.793 25917 2687 1 20 . 1 1 19 19 MET HA H 19 5.097 5.097 4.628 0.469 25917 2688 1 20 . 1 1 19 19 MET CA C 19 51.128 51.128 53.367 -2.239 25917 2689 1 20 . 1 1 19 19 MET CB C 19 34.904 34.904 33.438 1.466 25917 2690 1 20 . 1 1 19 19 MET H H 19 7.528 7.528 7.383 0.145 25917 2691 1 20 . 1 1 20 20 VAL N N 20 116.719 116.719 121.128 -4.409 25917 2692 1 20 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.145 0.328 25917 2693 1 20 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.750 -5.299 25917 2694 1 20 . 1 1 20 20 VAL CB C 20 32.117 32.117 34.273 -2.156 25917 2695 1 20 . 1 1 20 20 VAL H H 20 9.110 9.110 8.527 0.583 25917 2696 1 20 . 1 1 21 21 CYS N N 21 122.699 122.699 128.326 -5.627 25917 2697 1 20 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.773 0.035 25917 2698 1 20 . 1 1 21 21 CYS CA C 21 52.509 52.509 58.970 -6.461 25917 2699 1 20 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.484 10.594 25917 2700 1 20 . 1 1 21 21 CYS H H 21 8.943 8.943 8.657 0.286 25917 2701 1 20 . 1 1 22 22 ARG N N 22 134.904 134.904 125.929 8.975 25917 2702 1 20 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.549 -0.027 25917 2703 1 20 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.251 -2.675 25917 2704 1 20 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.599 2.193 25917 2705 1 20 . 1 1 22 22 ARG H H 22 8.248 8.248 8.187 0.061 25917 2706 1 20 . 1 1 23 23 LEU N N 23 123.936 123.936 120.804 3.132 25917 2707 1 20 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.069 -0.346 25917 2708 1 20 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.553 2.208 25917 2709 1 20 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.669 -4.326 25917 2710 1 20 . 1 1 23 23 LEU H H 23 8.108 8.108 8.322 -0.214 25917 2711 1 20 . 1 1 24 24 TRP N N 24 123.699 123.699 117.970 5.729 25917 2712 1 20 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.395 -0.076 25917 2713 1 20 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.085 -1.452 25917 2714 1 20 . 1 1 24 24 TRP CB C 24 29.503 29.503 31.686 -2.183 25917 2715 1 20 . 1 1 24 24 TRP H H 24 8.115 8.115 7.848 0.267 25917 2716 1 20 . 1 1 25 25 CYS N N 25 118.684 118.684 125.907 -7.223 25917 2717 1 20 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.056 -0.141 25917 2718 1 20 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.197 -5.542 25917 2719 1 20 . 1 1 25 25 CYS CB C 25 37.264 37.264 26.367 10.896 25917 2720 1 20 . 1 1 25 25 CYS H H 25 8.671 8.671 9.263 -0.592 25917 2721 1 20 . 1 1 26 26 LYS N N 26 124.865 124.865 125.165 -0.300 25917 2722 1 20 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.670 0.303 25917 2723 1 20 . 1 1 26 26 LYS CA C 26 52.104 52.104 54.425 -2.321 25917 2724 1 20 . 1 1 26 26 LYS CB C 26 32.887 32.887 36.016 -3.129 25917 2725 1 20 . 1 1 26 26 LYS H H 26 9.316 9.316 8.379 0.937 25917 2726 1 20 . 1 1 27 27 LYS N N 27 119.792 119.792 121.251 -1.459 25917 2727 1 20 . 1 1 27 27 LYS HA H 27 4.303 4.303 3.991 0.312 25917 2728 1 20 . 1 1 27 27 LYS C C 27 54.469 54.469 176.925 -122.456 25917 2729 1 20 . 1 1 27 27 LYS CB C 27 30.360 30.360 32.496 -2.136 25917 2730 1 20 . 1 1 27 27 LYS H H 27 8.461 8.461 8.102 0.359 25917 2731 1 20 . 1 1 28 28 LYS N N 28 122.343 122.343 124.982 -2.639 25917 2732 1 20 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.231 -0.125 25917 2733 1 20 . 1 1 28 28 LYS CA C 28 53.883 53.883 57.172 -3.289 25917 2734 1 20 . 1 1 28 28 LYS CB C 28 30.390 30.390 32.045 -1.655 25917 2735 1 20 . 1 1 28 28 LYS H H 28 8.157 8.157 8.168 -0.011 25917 2736 1 20 . 1 1 29 29 LEU N N 29 118.006 118.006 121.929 -3.923 25917 2737 1 20 . 1 1 29 29 LEU HA H 29 4.320 4.320 5.004 -0.684 25917 2738 1 20 . 1 1 29 29 LEU CA C 29 52.134 52.134 53.926 -1.792 25917 2739 1 20 . 1 1 29 29 LEU CB C 29 26.262 26.262 43.544 -17.282 25917 2740 1 20 . 1 1 29 29 LEU H H 29 8.290 8.290 8.499 -0.209 25917 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 27 4.503 1.720 4.241 25917 2 1 1 "Average Difference" HA 29 0.366 -0.073 0.365 25917 3 1 1 "Average Difference" C 1 121.646 121.646 0.000 25917 4 1 1 "Average Difference" CA 27 3.954 3.361 2.123 25917 5 1 1 "Average Difference" CB 27 7.055 -0.058 7.190 25917 6 1 1 "Average Difference" HN 28 0.549 -0.021 0.559 25917 7 1 2 "Average Difference" N 27 4.392 1.247 4.292 25917 8 1 2 "Average Difference" HA 29 0.466 -0.096 0.464 25917 9 1 2 "Average Difference" C 1 120.975 120.975 0.000 25917 10 1 2 "Average Difference" CA 27 4.016 3.390 2.194 25917 11 1 2 "Average Difference" CB 27 6.874 0.186 7.003 25917 12 1 2 "Average Difference" HN 28 0.577 -0.116 0.575 25917 13 1 3 "Average Difference" N 27 3.928 1.204 3.810 25917 14 1 3 "Average Difference" HA 29 0.463 -0.074 0.465 25917 15 1 3 "Average Difference" C 1 121.680 121.680 0.000 25917 16 1 3 "Average Difference" CA 27 4.215 3.540 2.332 25917 17 1 3 "Average Difference" CB 27 7.168 0.080 7.304 25917 18 1 3 "Average Difference" HN 28 0.517 -0.058 0.523 25917 19 1 4 "Average Difference" N 27 4.300 1.743 4.006 25917 20 1 4 "Average Difference" HA 29 0.440 -0.112 0.433 25917 21 1 4 "Average Difference" C 1 121.761 121.761 0.000 25917 22 1 4 "Average Difference" CA 27 4.025 3.344 2.282 25917 23 1 4 "Average Difference" CB 27 7.025 -0.160 7.157 25917 24 1 4 "Average Difference" HN 28 0.570 -0.083 0.574 25917 25 1 5 "Average Difference" N 27 4.270 1.895 3.900 25917 26 1 5 "Average Difference" HA 29 0.453 -0.132 0.441 25917 27 1 5 "Average Difference" C 1 123.055 123.055 0.000 25917 28 1 5 "Average Difference" CA 27 4.129 3.456 2.303 25917 29 1 5 "Average Difference" CB 27 7.007 -0.179 7.138 25917 30 1 5 "Average Difference" HN 28 0.607 -0.068 0.615 25917 31 1 6 "Average Difference" N 27 4.068 1.060 4.002 25917 32 1 6 "Average Difference" HA 29 0.395 -0.040 0.400 25917 33 1 6 "Average Difference" C 1 122.027 122.027 0.000 25917 34 1 6 "Average Difference" CA 27 3.992 3.344 2.221 25917 35 1 6 "Average Difference" CB 27 7.039 -0.030 7.173 25917 36 1 6 "Average Difference" HN 28 0.605 -0.104 0.607 25917 37 1 7 "Average Difference" N 27 4.462 1.346 4.335 25917 38 1 7 "Average Difference" HA 29 0.420 -0.070 0.421 25917 39 1 7 "Average Difference" C 1 122.528 122.528 0.000 25917 40 1 7 "Average Difference" CA 27 3.950 3.325 2.173 25917 41 1 7 "Average Difference" CB 27 6.945 0.113 7.076 25917 42 1 7 "Average Difference" HN 28 0.602 -0.074 0.609 25917 43 1 8 "Average Difference" N 27 3.881 1.075 3.800 25917 44 1 8 "Average Difference" HA 29 0.418 -0.028 0.424 25917 45 1 8 "Average Difference" C 1 121.652 121.652 0.000 25917 46 1 8 "Average Difference" CA 27 4.119 3.419 2.341 25917 47 1 8 "Average Difference" CB 27 6.995 0.170 7.126 25917 48 1 8 "Average Difference" HN 28 0.525 -0.082 0.528 25917 49 1 9 "Average Difference" N 27 4.417 0.988 4.387 25917 50 1 9 "Average Difference" HA 29 0.416 -0.049 0.420 25917 51 1 9 "Average Difference" C 1 121.958 121.958 0.000 25917 52 1 9 "Average Difference" CA 27 4.026 3.436 2.139 25917 53 1 9 "Average Difference" CB 27 6.941 0.067 7.073 25917 54 1 9 "Average Difference" HN 28 0.581 -0.052 0.590 25917 55 1 10 "Average Difference" N 27 4.116 1.213 4.008 25917 56 1 10 "Average Difference" HA 29 0.385 -0.059 0.387 25917 57 1 10 "Average Difference" C 1 121.701 121.701 0.000 25917 58 1 10 "Average Difference" CA 27 4.049 3.375 2.279 25917 59 1 10 "Average Difference" CB 27 6.985 0.143 7.117 25917 60 1 10 "Average Difference" HN 28 0.546 -0.085 0.549 25917 61 1 11 "Average Difference" N 27 4.686 1.601 4.487 25917 62 1 11 "Average Difference" HA 29 0.362 -0.069 0.361 25917 63 1 11 "Average Difference" C 1 122.232 122.232 0.000 25917 64 1 11 "Average Difference" CA 27 4.094 3.500 2.166 25917 65 1 11 "Average Difference" CB 27 7.034 0.052 7.168 25917 66 1 11 "Average Difference" HN 28 0.620 -0.073 0.627 25917 67 1 12 "Average Difference" N 27 4.027 0.906 3.999 25917 68 1 12 "Average Difference" HA 29 0.393 -0.050 0.396 25917 69 1 12 "Average Difference" C 1 122.257 122.257 0.000 25917 70 1 12 "Average Difference" CA 27 3.854 3.229 2.144 25917 71 1 12 "Average Difference" CB 27 6.820 0.224 6.946 25917 72 1 12 "Average Difference" HN 28 0.660 -0.146 0.656 25917 73 1 13 "Average Difference" N 27 4.011 1.095 3.932 25917 74 1 13 "Average Difference" HA 29 0.433 -0.038 0.439 25917 75 1 13 "Average Difference" C 1 121.591 121.591 0.000 25917 76 1 13 "Average Difference" CA 27 3.852 3.218 2.158 25917 77 1 13 "Average Difference" CB 27 7.067 0.049 7.202 25917 78 1 13 "Average Difference" HN 28 0.456 -0.061 0.460 25917 79 1 14 "Average Difference" N 27 4.450 1.225 4.360 25917 80 1 14 "Average Difference" HA 29 0.401 -0.072 0.402 25917 81 1 14 "Average Difference" C 1 122.029 122.029 0.000 25917 82 1 14 "Average Difference" CA 27 4.087 3.426 2.272 25917 83 1 14 "Average Difference" CB 27 7.072 0.053 7.206 25917 84 1 14 "Average Difference" HN 28 0.555 -0.079 0.559 25917 85 1 15 "Average Difference" N 27 4.351 1.372 4.208 25917 86 1 15 "Average Difference" HA 29 0.439 -0.099 0.435 25917 87 1 15 "Average Difference" C 1 121.998 121.998 0.000 25917 88 1 15 "Average Difference" CA 27 4.110 3.400 2.354 25917 89 1 15 "Average Difference" CB 27 7.090 -0.080 7.225 25917 90 1 15 "Average Difference" HN 28 0.567 -0.106 0.567 25917 91 1 16 "Average Difference" N 27 4.198 1.289 4.071 25917 92 1 16 "Average Difference" HA 29 0.366 -0.070 0.365 25917 93 1 16 "Average Difference" C 1 122.348 122.348 0.000 25917 94 1 16 "Average Difference" CA 27 4.109 3.478 2.230 25917 95 1 16 "Average Difference" CB 27 7.194 -0.076 7.331 25917 96 1 16 "Average Difference" HN 28 0.608 -0.106 0.609 25917 97 1 17 "Average Difference" N 27 4.170 1.245 4.056 25917 98 1 17 "Average Difference" HA 29 0.431 -0.060 0.435 25917 99 1 17 "Average Difference" C 1 121.631 121.631 0.000 25917 100 1 17 "Average Difference" CA 27 4.158 3.493 2.299 25917 101 1 17 "Average Difference" CB 27 7.017 0.045 7.151 25917 102 1 17 "Average Difference" HN 28 0.573 -0.119 0.571 25917 103 1 18 "Average Difference" N 27 4.253 1.124 4.180 25917 104 1 18 "Average Difference" HA 29 0.420 -0.063 0.423 25917 105 1 18 "Average Difference" C 1 121.903 121.903 0.000 25917 106 1 18 "Average Difference" CA 27 4.262 3.561 2.386 25917 107 1 18 "Average Difference" CB 27 7.168 -0.010 7.305 25917 108 1 18 "Average Difference" HN 28 0.563 -0.102 0.564 25917 109 1 19 "Average Difference" N 27 4.391 1.497 4.207 25917 110 1 19 "Average Difference" HA 29 0.384 -0.066 0.385 25917 111 1 19 "Average Difference" C 1 122.044 122.044 0.000 25917 112 1 19 "Average Difference" CA 27 4.131 3.538 2.173 25917 113 1 19 "Average Difference" CB 27 6.871 -0.014 7.002 25917 114 1 19 "Average Difference" HN 28 0.620 -0.104 0.622 25917 115 1 20 "Average Difference" N 27 4.287 1.583 4.060 25917 116 1 20 "Average Difference" HA 29 0.442 -0.041 0.448 25917 117 1 20 "Average Difference" C 1 122.456 122.456 0.000 25917 118 1 20 "Average Difference" CA 27 3.968 3.301 2.244 25917 119 1 20 "Average Difference" CB 27 7.188 -0.032 7.325 25917 120 1 20 "Average Difference" HN 28 0.526 -0.111 0.523 25917 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 25917 _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 2 117.668 117.668 120.478 -2.810 25917 2 1 . 1 1 2 2 CYS HA H 2 5.094 5.094 4.594 0.500 25917 3 1 . 1 1 2 2 CYS CA C 2 51.805 51.805 57.941 -6.136 25917 4 1 . 1 1 2 2 CYS CB C 2 40.451 40.451 29.106 11.345 25917 5 1 . 1 1 2 2 CYS H H 2 8.171 8.171 7.954 0.217 25917 6 1 . 1 1 3 3 GLN N N 3 117.434 117.434 122.950 -5.516 25917 7 1 . 1 1 3 3 GLN HA H 3 4.517 4.517 3.482 1.035 25917 8 1 . 1 1 3 3 GLN CA C 3 52.011 52.011 54.445 -2.434 25917 9 1 . 1 1 3 3 GLN CB C 3 28.970 28.970 28.517 0.453 25917 10 1 . 1 1 3 3 GLN H H 3 9.221 9.221 8.446 0.775 25917 11 1 . 1 1 4 4 LYS HA H 4 3.708 3.708 4.233 -0.525 25917 12 1 . 1 1 4 4 LYS CA C 4 52.506 52.506 55.582 -3.076 25917 13 1 . 1 1 4 4 LYS CB C 4 29.985 29.985 32.467 -2.482 25917 14 1 . 1 1 4 4 LYS H H 4 5.270 5.270 6.686 -1.416 25917 15 1 . 1 1 5 5 TRP N N 5 118.577 118.577 124.223 -5.646 25917 16 1 . 1 1 5 5 TRP HA H 5 4.317 4.317 4.183 0.134 25917 17 1 . 1 1 5 5 TRP CA C 5 56.591 56.591 59.447 -2.856 25917 18 1 . 1 1 5 5 TRP CB C 5 25.632 25.632 28.866 -3.234 25917 19 1 . 1 1 5 5 TRP H H 5 7.941 7.941 8.239 -0.298 25917 20 1 . 1 1 6 6 MET N N 6 118.041 118.041 118.681 -0.640 25917 21 1 . 1 1 6 6 MET HA H 6 3.924 3.924 4.915 -0.991 25917 22 1 . 1 1 6 6 MET CA C 6 53.883 53.883 56.758 -2.875 25917 23 1 . 1 1 6 6 MET CB C 6 27.846 27.846 31.651 -3.805 25917 24 1 . 1 1 6 6 MET H H 6 9.139 9.139 8.069 1.070 25917 25 1 . 1 1 7 7 TRP N N 7 121.757 121.757 125.030 -3.273 25917 26 1 . 1 1 7 7 TRP HA H 7 5.075 5.075 5.229 -0.154 25917 27 1 . 1 1 7 7 TRP CA C 7 53.113 53.113 56.326 -3.213 25917 28 1 . 1 1 7 7 TRP CB C 7 26.919 26.919 33.589 -6.670 25917 29 1 . 1 1 7 7 TRP H H 7 8.676 8.676 8.351 0.325 25917 30 1 . 1 1 8 8 THR N N 8 112.611 112.611 112.764 -0.153 25917 31 1 . 1 1 8 8 THR HA H 8 4.576 4.576 4.602 -0.026 25917 32 1 . 1 1 8 8 THR CA C 8 60.134 60.134 61.205 -1.071 25917 33 1 . 1 1 8 8 THR CB C 8 67.139 67.139 70.162 -3.023 25917 34 1 . 1 1 8 8 THR H H 8 8.533 8.533 8.393 0.140 25917 35 1 . 1 1 9 9 CYS N N 9 116.041 116.041 120.777 -4.736 25917 36 1 . 1 1 9 9 CYS HA H 9 5.198 5.198 4.772 0.426 25917 37 1 . 1 1 9 9 CYS CA C 9 50.915 50.915 57.003 -6.088 25917 38 1 . 1 1 9 9 CYS CB C 9 45.428 45.428 30.215 15.213 25917 39 1 . 1 1 9 9 CYS H H 9 7.841 7.841 8.593 -0.752 25917 40 1 . 1 1 10 10 ASP N N 10 118.399 118.399 120.179 -1.780 25917 41 1 . 1 1 10 10 ASP HA H 10 4.433 4.433 4.895 -0.462 25917 42 1 . 1 1 10 10 ASP CA C 10 51.222 51.222 53.291 -2.069 25917 43 1 . 1 1 10 10 ASP CB C 10 37.016 37.016 43.730 -6.714 25917 44 1 . 1 1 10 10 ASP H H 10 8.744 8.744 8.430 0.314 25917 45 1 . 1 1 11 11 SER N N 11 112.253 112.253 114.732 -2.479 25917 46 1 . 1 1 11 11 SER HA H 11 4.124 4.124 4.318 -0.194 25917 47 1 . 1 1 11 11 SER CA C 11 59.020 59.020 60.717 -1.697 25917 48 1 . 1 1 11 11 SER CB C 11 60.066 60.066 63.368 -3.302 25917 49 1 . 1 1 11 11 SER H H 11 8.424 8.424 8.480 -0.056 25917 50 1 . 1 1 12 12 GLU N N 12 124.186 124.186 119.757 4.429 25917 51 1 . 1 1 12 12 GLU HA H 12 4.481 4.481 4.312 0.169 25917 52 1 . 1 1 12 12 GLU CA C 12 53.836 53.836 57.010 -3.174 25917 53 1 . 1 1 12 12 GLU CB C 12 26.863 26.863 29.901 -3.038 25917 54 1 . 1 1 12 12 GLU H H 12 8.239 8.239 8.196 0.043 25917 55 1 . 1 1 13 13 ARG N N 13 116.195 116.195 121.003 -4.808 25917 56 1 . 1 1 13 13 ARG HA H 13 4.557 4.557 4.295 0.262 25917 57 1 . 1 1 13 13 ARG CA C 13 51.992 51.992 55.675 -3.683 25917 58 1 . 1 1 13 13 ARG CB C 13 26.776 26.776 29.603 -2.827 25917 59 1 . 1 1 13 13 ARG H H 13 8.194 8.194 8.065 0.129 25917 60 1 . 1 1 14 14 LYS N N 14 121.150 121.150 124.547 -3.397 25917 61 1 . 1 1 14 14 LYS HA H 14 4.405 4.405 4.642 -0.237 25917 62 1 . 1 1 14 14 LYS CA C 14 53.159 53.159 54.803 -1.644 25917 63 1 . 1 1 14 14 LYS CB C 14 31.014 31.014 34.559 -3.545 25917 64 1 . 1 1 14 14 LYS H H 14 7.969 7.969 8.149 -0.180 25917 65 1 . 1 1 15 15 CYS N N 15 119.435 119.435 121.246 -1.811 25917 66 1 . 1 1 15 15 CYS HA H 15 4.937 4.937 4.652 0.285 25917 67 1 . 1 1 15 15 CYS CA C 15 53.093 53.093 58.966 -5.873 25917 68 1 . 1 1 15 15 CYS CB C 15 38.004 38.004 25.714 12.290 25917 69 1 . 1 1 15 15 CYS H H 15 9.162 9.162 8.672 0.490 25917 70 1 . 1 1 16 16 CYS N N 16 120.864 120.864 124.981 -4.117 25917 71 1 . 1 1 16 16 CYS HA H 16 4.555 4.555 4.276 0.279 25917 72 1 . 1 1 16 16 CYS CA C 16 51.362 51.362 60.835 -9.473 25917 73 1 . 1 1 16 16 CYS CB C 16 37.233 37.233 27.221 10.012 25917 74 1 . 1 1 16 16 CYS H H 16 9.123 9.123 8.713 0.410 25917 75 1 . 1 1 17 17 GLU N N 17 118.077 118.077 119.673 -1.596 25917 76 1 . 1 1 17 17 GLU HA H 17 4.083 4.083 3.950 0.133 25917 77 1 . 1 1 17 17 GLU CA C 17 54.840 54.840 56.866 -2.026 25917 78 1 . 1 1 17 17 GLU CB C 17 25.898 25.898 28.966 -3.068 25917 79 1 . 1 1 17 17 GLU H H 17 8.305 8.305 8.958 -0.653 25917 80 1 . 1 1 18 18 GLY N N 18 111.182 111.182 106.478 4.704 25917 81 1 . 1 1 18 18 GLY CA C 18 42.012 42.012 45.578 -3.566 25917 82 1 . 1 1 18 18 GLY H H 18 8.861 8.861 8.060 0.801 25917 83 1 . 1 1 19 19 MET N N 19 117.827 117.827 118.008 -0.181 25917 84 1 . 1 1 19 19 MET HA H 19 5.097 5.097 4.581 0.516 25917 85 1 . 1 1 19 19 MET CA C 19 51.128 51.128 55.070 -3.942 25917 86 1 . 1 1 19 19 MET CB C 19 34.904 34.904 34.820 0.084 25917 87 1 . 1 1 19 19 MET H H 19 7.528 7.528 7.562 -0.034 25917 88 1 . 1 1 20 20 VAL N N 20 116.719 116.719 120.579 -3.860 25917 89 1 . 1 1 20 20 VAL HA H 20 4.473 4.473 4.221 0.252 25917 90 1 . 1 1 20 20 VAL CA C 20 56.451 56.451 61.194 -4.743 25917 91 1 . 1 1 20 20 VAL CB C 20 32.117 32.117 33.064 -0.947 25917 92 1 . 1 1 20 20 VAL H H 20 9.110 9.110 8.527 0.583 25917 93 1 . 1 1 21 21 CYS N N 21 122.699 122.699 128.414 -5.715 25917 94 1 . 1 1 21 21 CYS HA H 21 4.808 4.808 4.726 0.082 25917 95 1 . 1 1 21 21 CYS CA C 21 52.509 52.509 59.112 -6.603 25917 96 1 . 1 1 21 21 CYS CB C 21 37.078 37.078 26.218 10.860 25917 97 1 . 1 1 21 21 CYS H H 21 8.943 8.943 8.770 0.173 25917 98 1 . 1 1 22 22 ARG N N 22 134.904 134.904 125.994 8.910 25917 99 1 . 1 1 22 22 ARG HA H 22 4.522 4.522 4.524 -0.002 25917 100 1 . 1 1 22 22 ARG CA C 22 52.576 52.576 55.113 -2.537 25917 101 1 . 1 1 22 22 ARG CB C 22 33.792 33.792 31.394 2.398 25917 102 1 . 1 1 22 22 ARG H H 22 8.248 8.248 8.194 0.054 25917 103 1 . 1 1 23 23 LEU N N 23 123.936 123.936 120.908 3.028 25917 104 1 . 1 1 23 23 LEU HA H 23 3.723 3.723 4.016 -0.293 25917 105 1 . 1 1 23 23 LEU CA C 23 58.762 58.762 56.659 2.103 25917 106 1 . 1 1 23 23 LEU CB C 23 37.343 37.343 41.883 -4.541 25917 107 1 . 1 1 23 23 LEU H H 23 8.108 8.108 8.322 -0.214 25917 108 1 . 1 1 24 24 TRP N N 24 123.699 123.699 117.029 6.670 25917 109 1 . 1 1 24 24 TRP HA H 24 5.319 5.319 5.164 0.155 25917 110 1 . 1 1 24 24 TRP CA C 24 53.633 53.633 55.292 -1.659 25917 111 1 . 1 1 24 24 TRP CB C 24 29.503 29.503 31.593 -2.090 25917 112 1 . 1 1 24 24 TRP H H 24 8.115 8.115 7.737 0.378 25917 113 1 . 1 1 25 25 CYS N N 25 118.684 118.684 123.552 -4.869 25917 114 1 . 1 1 25 25 CYS HA H 25 4.915 4.915 5.129 -0.214 25917 115 1 . 1 1 25 25 CYS CA C 25 53.656 53.656 59.017 -5.361 25917 116 1 . 1 1 25 25 CYS CB C 25 37.264 37.264 27.187 10.077 25917 117 1 . 1 1 25 25 CYS H H 25 8.671 8.671 9.196 -0.524 25917 118 1 . 1 1 26 26 LYS N N 26 124.865 124.865 123.910 0.955 25917 119 1 . 1 1 26 26 LYS HA H 26 4.973 4.973 4.821 0.152 25917 120 1 . 1 1 26 26 LYS CA C 26 52.104 52.104 55.106 -3.002 25917 121 1 . 1 1 26 26 LYS CB C 26 32.887 32.887 37.021 -4.134 25917 122 1 . 1 1 26 26 LYS H H 26 9.316 9.316 8.386 0.930 25917 123 1 . 1 1 27 27 LYS N N 27 119.792 119.792 120.830 -1.038 25917 124 1 . 1 1 27 27 LYS HA H 27 4.303 4.303 4.322 -0.019 25917 125 1 . 1 1 27 27 LYS C C 27 54.469 54.469 176.443 -121.974 25917 126 1 . 1 1 27 27 LYS CB C 27 30.360 30.360 33.085 -2.725 25917 127 1 . 1 1 27 27 LYS H H 27 8.461 8.461 8.317 0.144 25917 128 1 . 1 1 28 28 LYS N N 28 122.343 122.343 122.102 0.241 25917 129 1 . 1 1 28 28 LYS HA H 28 4.106 4.106 4.226 -0.120 25917 130 1 . 1 1 28 28 LYS CA C 28 53.883 53.883 56.295 -2.412 25917 131 1 . 1 1 28 28 LYS CB C 28 30.390 30.390 31.709 -1.319 25917 132 1 . 1 1 28 28 LYS H H 28 8.157 8.157 8.466 -0.309 25917 133 1 . 1 1 29 29 LEU N N 29 118.006 118.006 124.198 -6.192 25917 134 1 . 1 1 29 29 LEU HA H 29 4.320 4.320 4.421 -0.101 25917 135 1 . 1 1 29 29 LEU CA C 29 52.134 52.134 55.004 -2.870 25917 136 1 . 1 1 29 29 LEU CB C 29 26.262 26.262 42.267 -16.005 25917 137 1 . 1 1 29 29 LEU H H 29 8.290 8.290 8.379 -0.089 25917 stop_ save_