data_19124 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 19124 _Entry.PDB_ID 2M6A 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 19124 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Conformer_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 1 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.686 0.070 19124 2 1 1 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.086 -1.150 19124 3 1 1 . 1 1 3 3 ASP N N 3 123.145 123.145 122.313 0.832 19124 4 1 1 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.587 0.139 19124 5 1 1 . 1 1 3 3 ASP CA C 3 53.812 53.812 53.724 0.088 19124 6 1 1 . 1 1 3 3 ASP CB C 3 40.848 40.848 39.618 1.230 19124 7 1 1 . 1 1 3 3 ASP H H 3 8.502 8.502 8.638 -0.136 19124 8 1 1 . 1 1 4 4 ARG N N 4 121.446 121.446 122.603 -1.157 19124 9 1 1 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.073 -0.030 19124 10 1 1 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.141 -0.195 19124 11 1 1 . 1 1 4 4 ARG CB C 4 29.658 29.658 30.232 -0.574 19124 12 1 1 . 1 1 4 4 ARG H H 4 8.524 8.524 8.141 0.383 19124 13 1 1 . 1 1 5 5 CYS N N 5 118.368 118.368 117.086 1.282 19124 14 1 1 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.225 0.450 19124 15 1 1 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.981 -5.244 19124 16 1 1 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.957 11.019 19124 17 1 1 . 1 1 5 5 CYS H H 5 8.465 8.465 8.738 -0.273 19124 18 1 1 . 1 1 6 6 GLU N N 6 121.562 121.562 118.052 3.510 19124 19 1 1 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.949 0.060 19124 20 1 1 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.157 0.358 19124 21 1 1 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.274 -0.829 19124 22 1 1 . 1 1 6 6 GLU H H 6 8.501 8.501 8.403 0.098 19124 23 1 1 . 1 1 7 7 ARG N N 7 117.167 117.167 117.838 -0.671 19124 24 1 1 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.034 0.097 19124 25 1 1 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.674 -2.496 19124 26 1 1 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.283 -0.820 19124 27 1 1 . 1 1 7 7 ARG H H 7 8.073 8.073 7.701 0.372 19124 28 1 1 . 1 1 8 8 MET N N 8 118.916 118.916 118.092 0.824 19124 29 1 1 . 1 1 8 8 MET HA H 8 4.325 4.325 4.281 0.044 19124 30 1 1 . 1 1 8 8 MET CA C 8 57.991 57.991 58.918 -0.927 19124 31 1 1 . 1 1 8 8 MET CB C 8 32.167 32.167 32.817 -0.650 19124 32 1 1 . 1 1 8 8 MET H H 8 8.120 8.120 7.699 0.421 19124 33 1 1 . 1 1 9 9 CYS N N 9 114.907 114.907 116.611 -1.704 19124 34 1 1 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.553 0.617 19124 35 1 1 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.647 -5.118 19124 36 1 1 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.450 12.537 19124 37 1 1 . 1 1 9 9 CYS H H 9 8.136 8.136 8.145 -0.009 19124 38 1 1 . 1 1 10 10 GLN N N 10 120.125 120.125 121.486 -1.361 19124 39 1 1 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.959 0.158 19124 40 1 1 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.627 -1.093 19124 41 1 1 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.564 -1.063 19124 42 1 1 . 1 1 10 10 GLN H H 10 7.736 7.736 7.654 0.082 19124 43 1 1 . 1 1 11 11 ARG N N 11 114.823 114.823 116.499 -1.676 19124 44 1 1 . 1 1 11 11 ARG HA H 11 4.125 4.125 4.003 0.122 19124 45 1 1 . 1 1 11 11 ARG CA C 11 58.646 58.646 58.041 0.605 19124 46 1 1 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.386 -0.752 19124 47 1 1 . 1 1 11 11 ARG H H 11 7.679 7.679 7.833 -0.154 19124 48 1 1 . 1 1 12 12 TYR N N 12 119.718 119.718 117.398 2.320 19124 49 1 1 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.432 0.142 19124 50 1 1 . 1 1 12 12 TYR CA C 12 57.663 57.663 60.116 -2.453 19124 51 1 1 . 1 1 12 12 TYR CB C 12 37.055 37.055 38.957 -1.902 19124 52 1 1 . 1 1 12 12 TYR H H 12 7.405 7.405 7.572 -0.167 19124 53 1 1 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.865 0.013 19124 54 1 1 . 1 1 14 14 ASP N N 14 121.456 121.456 121.265 0.191 19124 55 1 1 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.674 0.096 19124 56 1 1 . 1 1 14 14 ASP CB C 14 42.593 42.593 41.096 1.497 19124 57 1 1 . 1 1 14 14 ASP H H 14 8.501 8.501 8.326 0.175 19124 58 1 1 . 1 1 15 15 ARG N N 15 126.394 126.394 125.343 1.051 19124 59 1 1 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.986 0.028 19124 60 1 1 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.034 0.196 19124 61 1 1 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.208 -0.572 19124 62 1 1 . 1 1 15 15 ARG H H 15 8.975 8.975 8.803 0.172 19124 63 1 1 . 1 1 16 16 ARG N N 16 120.362 120.362 118.716 1.646 19124 64 1 1 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.069 0.033 19124 65 1 1 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.331 -0.312 19124 66 1 1 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.599 -0.706 19124 67 1 1 . 1 1 16 16 ARG H H 16 8.436 8.436 8.410 0.026 19124 68 1 1 . 1 1 17 17 GLU N N 17 120.565 120.565 119.974 0.591 19124 69 1 1 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.993 -0.081 19124 70 1 1 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.771 -0.147 19124 71 1 1 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.925 0.309 19124 72 1 1 . 1 1 17 17 GLU H H 17 8.245 8.245 8.482 -0.237 19124 73 1 1 . 1 1 18 18 LYS N N 18 121.316 121.316 119.307 2.009 19124 74 1 1 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.844 0.052 19124 75 1 1 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.973 1.239 19124 76 1 1 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.168 -0.721 19124 77 1 1 . 1 1 18 18 LYS H H 18 8.768 8.768 7.805 0.963 19124 78 1 1 . 1 1 19 19 LYS N N 19 119.130 119.130 119.720 -0.590 19124 79 1 1 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.918 0.115 19124 80 1 1 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.634 -0.055 19124 81 1 1 . 1 1 19 19 LYS H H 19 8.070 8.070 7.829 0.241 19124 82 1 1 . 1 1 20 20 GLN N N 20 118.825 118.825 118.449 0.376 19124 83 1 1 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.049 0.029 19124 84 1 1 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.374 -0.274 19124 85 1 1 . 1 1 20 20 GLN CB C 20 27.577 27.577 27.765 -0.188 19124 86 1 1 . 1 1 20 20 GLN H H 20 7.893 7.893 8.124 -0.231 19124 87 1 1 . 1 1 21 21 CYS N N 21 120.856 120.856 120.212 0.644 19124 88 1 1 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.090 0.142 19124 89 1 1 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.160 -3.143 19124 90 1 1 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.147 10.594 19124 91 1 1 . 1 1 21 21 CYS H H 21 7.992 7.992 7.319 0.673 19124 92 1 1 . 1 1 22 22 MET N N 22 121.200 121.200 119.166 2.034 19124 93 1 1 . 1 1 22 22 MET HA H 22 4.290 4.290 4.111 0.179 19124 94 1 1 . 1 1 22 22 MET CA C 22 56.986 56.986 58.135 -1.149 19124 95 1 1 . 1 1 22 22 MET CB C 22 30.725 30.725 31.711 -0.986 19124 96 1 1 . 1 1 22 22 MET H H 22 8.673 8.673 8.386 0.287 19124 97 1 1 . 1 1 23 23 LYS N N 23 120.853 120.853 116.139 4.714 19124 98 1 1 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.328 -0.138 19124 99 1 1 . 1 1 23 23 LYS CA C 23 58.745 58.745 57.944 0.801 19124 100 1 1 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.589 -0.869 19124 101 1 1 . 1 1 23 23 LYS H H 23 8.128 8.128 7.840 0.288 19124 102 1 1 . 1 1 24 24 GLY N N 24 104.975 104.975 107.797 -2.822 19124 103 1 1 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.738 -1.297 19124 104 1 1 . 1 1 24 24 GLY H H 24 7.895 7.895 7.969 -0.074 19124 105 1 1 . 1 1 25 25 CYS N N 25 119.579 119.579 119.292 0.287 19124 106 1 1 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.508 -0.020 19124 107 1 1 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.055 -1.575 19124 108 1 1 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.269 15.166 19124 109 1 1 . 1 1 25 25 CYS H H 25 7.862 7.862 7.981 -0.119 19124 110 1 1 . 1 1 26 26 ARG N N 26 121.480 121.480 120.262 1.218 19124 111 1 1 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.312 -0.022 19124 112 1 1 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.282 -0.645 19124 113 1 1 . 1 1 26 26 ARG CB C 26 30.129 30.129 29.849 0.280 19124 114 1 1 . 1 1 26 26 ARG H H 26 8.298 8.298 7.668 0.630 19124 115 1 1 . 1 1 27 27 TYR N N 27 119.050 119.050 117.841 1.209 19124 116 1 1 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.422 0.327 19124 117 1 1 . 1 1 27 27 TYR CB C 27 38.326 38.326 39.185 -0.859 19124 118 1 1 . 1 1 27 27 TYR H H 27 8.016 8.016 7.870 0.146 19124 119 1 2 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.779 -0.023 19124 120 1 2 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.105 -1.169 19124 121 1 2 . 1 1 3 3 ASP N N 3 123.145 123.145 126.075 -2.930 19124 122 1 2 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.662 0.064 19124 123 1 2 . 1 1 3 3 ASP CA C 3 53.812 53.812 53.654 0.158 19124 124 1 2 . 1 1 3 3 ASP CB C 3 40.848 40.848 39.597 1.251 19124 125 1 2 . 1 1 3 3 ASP H H 3 8.502 8.502 8.818 -0.316 19124 126 1 2 . 1 1 4 4 ARG N N 4 121.446 121.446 121.154 0.292 19124 127 1 2 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.151 -0.108 19124 128 1 2 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.555 -0.610 19124 129 1 2 . 1 1 4 4 ARG CB C 4 29.658 29.658 30.585 -0.927 19124 130 1 2 . 1 1 4 4 ARG H H 4 8.524 8.524 8.183 0.341 19124 131 1 2 . 1 1 5 5 CYS N N 5 118.368 118.368 117.481 0.887 19124 132 1 2 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.261 0.414 19124 133 1 2 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.451 -5.714 19124 134 1 2 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.008 10.968 19124 135 1 2 . 1 1 5 5 CYS H H 5 8.465 8.465 8.742 -0.277 19124 136 1 2 . 1 1 6 6 GLU N N 6 121.562 121.562 118.712 2.850 19124 137 1 2 . 1 1 6 6 GLU HA H 6 4.009 4.009 4.007 0.002 19124 138 1 2 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.528 -0.013 19124 139 1 2 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.068 -0.623 19124 140 1 2 . 1 1 6 6 GLU H H 6 8.501 8.501 8.441 0.060 19124 141 1 2 . 1 1 7 7 ARG N N 7 117.167 117.167 118.076 -0.909 19124 142 1 2 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.042 0.089 19124 143 1 2 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.897 -2.719 19124 144 1 2 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.340 -0.877 19124 145 1 2 . 1 1 7 7 ARG H H 7 8.073 8.073 7.744 0.329 19124 146 1 2 . 1 1 8 8 MET N N 8 118.916 118.916 118.312 0.604 19124 147 1 2 . 1 1 8 8 MET HA H 8 4.325 4.325 4.310 0.015 19124 148 1 2 . 1 1 8 8 MET CA C 8 57.991 57.991 58.783 -0.792 19124 149 1 2 . 1 1 8 8 MET CB C 8 32.167 32.167 32.827 -0.660 19124 150 1 2 . 1 1 8 8 MET H H 8 8.120 8.120 7.754 0.366 19124 151 1 2 . 1 1 9 9 CYS N N 9 114.907 114.907 117.638 -2.731 19124 152 1 2 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.556 0.614 19124 153 1 2 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.785 -5.256 19124 154 1 2 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.345 12.643 19124 155 1 2 . 1 1 9 9 CYS H H 9 8.136 8.136 8.256 -0.120 19124 156 1 2 . 1 1 10 10 GLN N N 10 120.125 120.125 121.673 -1.548 19124 157 1 2 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.057 0.060 19124 158 1 2 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.552 -1.018 19124 159 1 2 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.509 -1.008 19124 160 1 2 . 1 1 10 10 GLN H H 10 7.736 7.736 7.711 0.025 19124 161 1 2 . 1 1 11 11 ARG N N 11 114.823 114.823 117.382 -2.559 19124 162 1 2 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.996 0.129 19124 163 1 2 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.917 0.729 19124 164 1 2 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.740 -1.106 19124 165 1 2 . 1 1 11 11 ARG H H 11 7.679 7.679 7.712 -0.033 19124 166 1 2 . 1 1 12 12 TYR N N 12 119.718 119.718 120.072 -0.354 19124 167 1 2 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.917 -0.343 19124 168 1 2 . 1 1 12 12 TYR CA C 12 57.663 57.663 55.916 1.747 19124 169 1 2 . 1 1 12 12 TYR CB C 12 37.055 37.055 36.278 0.777 19124 170 1 2 . 1 1 12 12 TYR H H 12 7.405 7.405 7.563 -0.158 19124 171 1 2 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.676 0.202 19124 172 1 2 . 1 1 14 14 ASP N N 14 121.456 121.456 120.678 0.778 19124 173 1 2 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.556 0.214 19124 174 1 2 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.301 0.292 19124 175 1 2 . 1 1 14 14 ASP H H 14 8.501 8.501 8.164 0.337 19124 176 1 2 . 1 1 15 15 ARG N N 15 126.394 126.394 123.265 3.129 19124 177 1 2 . 1 1 15 15 ARG HA H 15 4.014 4.014 4.026 -0.012 19124 178 1 2 . 1 1 15 15 ARG CA C 15 59.230 59.230 58.446 0.784 19124 179 1 2 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.151 -0.515 19124 180 1 2 . 1 1 15 15 ARG H H 15 8.975 8.975 8.745 0.230 19124 181 1 2 . 1 1 16 16 ARG N N 16 120.362 120.362 119.556 0.806 19124 182 1 2 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.082 0.020 19124 183 1 2 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.388 -0.368 19124 184 1 2 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.788 -0.895 19124 185 1 2 . 1 1 16 16 ARG H H 16 8.436 8.436 7.688 0.748 19124 186 1 2 . 1 1 17 17 GLU N N 17 120.565 120.565 119.405 1.160 19124 187 1 2 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.997 -0.085 19124 188 1 2 . 1 1 17 17 GLU CA C 17 58.624 58.624 59.059 -0.435 19124 189 1 2 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.877 0.357 19124 190 1 2 . 1 1 17 17 GLU H H 17 8.245 8.245 8.529 -0.284 19124 191 1 2 . 1 1 18 18 LYS N N 18 121.316 121.316 119.240 2.076 19124 192 1 2 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.963 -0.067 19124 193 1 2 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.233 1.980 19124 194 1 2 . 1 1 18 18 LYS CB C 18 31.447 31.447 31.917 -0.470 19124 195 1 2 . 1 1 18 18 LYS H H 18 8.768 8.768 7.811 0.957 19124 196 1 2 . 1 1 19 19 LYS N N 19 119.130 119.130 119.282 -0.152 19124 197 1 2 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.902 0.131 19124 198 1 2 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.659 -0.080 19124 199 1 2 . 1 1 19 19 LYS H H 19 8.070 8.070 7.868 0.202 19124 200 1 2 . 1 1 20 20 GLN N N 20 118.825 118.825 118.672 0.153 19124 201 1 2 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.014 0.064 19124 202 1 2 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.709 -0.610 19124 203 1 2 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.192 -0.615 19124 204 1 2 . 1 1 20 20 GLN H H 20 7.893 7.893 8.237 -0.344 19124 205 1 2 . 1 1 21 21 CYS N N 21 120.856 120.856 119.572 1.284 19124 206 1 2 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.103 0.129 19124 207 1 2 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.370 -3.353 19124 208 1 2 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.109 10.632 19124 209 1 2 . 1 1 21 21 CYS H H 21 7.992 7.992 7.372 0.620 19124 210 1 2 . 1 1 22 22 MET N N 22 121.200 121.200 119.549 1.651 19124 211 1 2 . 1 1 22 22 MET HA H 22 4.290 4.290 4.100 0.190 19124 212 1 2 . 1 1 22 22 MET CA C 22 56.986 56.986 58.314 -1.328 19124 213 1 2 . 1 1 22 22 MET CB C 22 30.725 30.725 31.746 -1.021 19124 214 1 2 . 1 1 22 22 MET H H 22 8.673 8.673 8.379 0.294 19124 215 1 2 . 1 1 23 23 LYS N N 23 120.853 120.853 116.955 3.898 19124 216 1 2 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.214 -0.024 19124 217 1 2 . 1 1 23 23 LYS CA C 23 58.745 58.745 58.532 0.213 19124 218 1 2 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.378 -0.658 19124 219 1 2 . 1 1 23 23 LYS H H 23 8.128 8.128 8.167 -0.039 19124 220 1 2 . 1 1 24 24 GLY N N 24 104.975 104.975 106.824 -1.849 19124 221 1 2 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.473 -1.032 19124 222 1 2 . 1 1 24 24 GLY H H 24 7.895 7.895 7.884 0.011 19124 223 1 2 . 1 1 25 25 CYS N N 25 119.579 119.579 117.997 1.582 19124 224 1 2 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.570 -0.082 19124 225 1 2 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.160 -1.680 19124 226 1 2 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.307 15.128 19124 227 1 2 . 1 1 25 25 CYS H H 25 7.862 7.862 7.960 -0.098 19124 228 1 2 . 1 1 26 26 ARG N N 26 121.480 121.480 119.514 1.966 19124 229 1 2 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.312 -0.022 19124 230 1 2 . 1 1 26 26 ARG CA C 26 56.637 56.637 56.730 -0.093 19124 231 1 2 . 1 1 26 26 ARG CB C 26 30.129 30.129 29.946 0.183 19124 232 1 2 . 1 1 26 26 ARG H H 26 8.298 8.298 7.793 0.505 19124 233 1 2 . 1 1 27 27 TYR N N 27 119.050 119.050 120.855 -1.805 19124 234 1 2 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.444 0.305 19124 235 1 2 . 1 1 27 27 TYR CB C 27 38.326 38.326 36.474 1.852 19124 236 1 2 . 1 1 27 27 TYR H H 27 8.016 8.016 7.709 0.307 19124 237 1 3 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.666 0.090 19124 238 1 3 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.924 -1.988 19124 239 1 3 . 1 1 3 3 ASP N N 3 123.145 123.145 119.764 3.381 19124 240 1 3 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.507 0.219 19124 241 1 3 . 1 1 3 3 ASP CA C 3 53.812 53.812 55.727 -1.915 19124 242 1 3 . 1 1 3 3 ASP CB C 3 40.848 40.848 41.126 -0.278 19124 243 1 3 . 1 1 3 3 ASP H H 3 8.502 8.502 8.719 -0.217 19124 244 1 3 . 1 1 4 4 ARG N N 4 121.446 121.446 120.127 1.319 19124 245 1 3 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.036 0.007 19124 246 1 3 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.211 -0.265 19124 247 1 3 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.906 -0.248 19124 248 1 3 . 1 1 4 4 ARG H H 4 8.524 8.524 7.942 0.582 19124 249 1 3 . 1 1 5 5 CYS N N 5 118.368 118.368 117.140 1.228 19124 250 1 3 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.409 0.266 19124 251 1 3 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.235 -4.498 19124 252 1 3 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.172 10.804 19124 253 1 3 . 1 1 5 5 CYS H H 5 8.465 8.465 7.916 0.549 19124 254 1 3 . 1 1 6 6 GLU N N 6 121.562 121.562 120.270 1.292 19124 255 1 3 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.921 0.088 19124 256 1 3 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.655 -0.140 19124 257 1 3 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.208 -0.763 19124 258 1 3 . 1 1 6 6 GLU H H 6 8.501 8.501 7.878 0.623 19124 259 1 3 . 1 1 7 7 ARG N N 7 117.167 117.167 118.275 -1.108 19124 260 1 3 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.057 0.074 19124 261 1 3 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.744 -2.566 19124 262 1 3 . 1 1 7 7 ARG CB C 7 29.463 29.463 29.983 -0.520 19124 263 1 3 . 1 1 7 7 ARG H H 7 8.073 8.073 8.012 0.061 19124 264 1 3 . 1 1 8 8 MET N N 8 118.916 118.916 118.384 0.532 19124 265 1 3 . 1 1 8 8 MET HA H 8 4.325 4.325 4.323 0.002 19124 266 1 3 . 1 1 8 8 MET CA C 8 57.991 57.991 58.450 -0.459 19124 267 1 3 . 1 1 8 8 MET CB C 8 32.167 32.167 32.418 -0.251 19124 268 1 3 . 1 1 8 8 MET H H 8 8.120 8.120 7.599 0.521 19124 269 1 3 . 1 1 9 9 CYS N N 9 114.907 114.907 116.318 -1.411 19124 270 1 3 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.724 0.446 19124 271 1 3 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.192 -4.663 19124 272 1 3 . 1 1 9 9 CYS CB C 9 37.987 37.987 24.960 13.027 19124 273 1 3 . 1 1 9 9 CYS H H 9 8.136 8.136 8.081 0.055 19124 274 1 3 . 1 1 10 10 GLN N N 10 120.125 120.125 122.804 -2.679 19124 275 1 3 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.041 0.076 19124 276 1 3 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.023 -0.489 19124 277 1 3 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.076 -0.575 19124 278 1 3 . 1 1 10 10 GLN H H 10 7.736 7.736 7.979 -0.243 19124 279 1 3 . 1 1 11 11 ARG N N 11 114.823 114.823 117.542 -2.719 19124 280 1 3 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.995 0.130 19124 281 1 3 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.591 1.055 19124 282 1 3 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.945 -1.311 19124 283 1 3 . 1 1 11 11 ARG H H 11 7.679 7.679 7.753 -0.074 19124 284 1 3 . 1 1 12 12 TYR N N 12 119.718 119.718 119.484 0.234 19124 285 1 3 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.647 -0.073 19124 286 1 3 . 1 1 12 12 TYR CA C 12 57.663 57.663 55.760 1.903 19124 287 1 3 . 1 1 12 12 TYR CB C 12 37.055 37.055 36.693 0.362 19124 288 1 3 . 1 1 12 12 TYR H H 12 7.405 7.405 7.393 0.012 19124 289 1 3 . 1 1 13 13 HIS CB C 13 28.878 28.878 29.063 -0.185 19124 290 1 3 . 1 1 14 14 ASP N N 14 121.456 121.456 120.798 0.658 19124 291 1 3 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.703 0.067 19124 292 1 3 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.499 0.094 19124 293 1 3 . 1 1 14 14 ASP H H 14 8.501 8.501 8.225 0.276 19124 294 1 3 . 1 1 15 15 ARG N N 15 126.394 126.394 125.053 1.341 19124 295 1 3 . 1 1 15 15 ARG HA H 15 4.014 4.014 4.005 0.009 19124 296 1 3 . 1 1 15 15 ARG CA C 15 59.230 59.230 58.988 0.242 19124 297 1 3 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.200 -0.563 19124 298 1 3 . 1 1 15 15 ARG H H 15 8.975 8.975 8.752 0.223 19124 299 1 3 . 1 1 16 16 ARG N N 16 120.362 120.362 119.641 0.721 19124 300 1 3 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.096 0.006 19124 301 1 3 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.281 -0.261 19124 302 1 3 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.535 -0.643 19124 303 1 3 . 1 1 16 16 ARG H H 16 8.436 8.436 7.835 0.601 19124 304 1 3 . 1 1 17 17 GLU N N 17 120.565 120.565 118.971 1.594 19124 305 1 3 . 1 1 17 17 GLU HA H 17 3.912 3.912 4.027 -0.115 19124 306 1 3 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.629 -0.005 19124 307 1 3 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.536 0.698 19124 308 1 3 . 1 1 17 17 GLU H H 17 8.245 8.245 8.536 -0.291 19124 309 1 3 . 1 1 18 18 LYS N N 18 121.316 121.316 120.050 1.266 19124 310 1 3 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.976 -0.080 19124 311 1 3 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.413 0.799 19124 312 1 3 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.285 -0.838 19124 313 1 3 . 1 1 18 18 LYS H H 18 8.768 8.768 7.950 0.818 19124 314 1 3 . 1 1 19 19 LYS N N 19 119.130 119.130 119.004 0.126 19124 315 1 3 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.887 0.146 19124 316 1 3 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.667 -0.088 19124 317 1 3 . 1 1 19 19 LYS H H 19 8.070 8.070 7.691 0.379 19124 318 1 3 . 1 1 20 20 GLN N N 20 118.825 118.825 118.564 0.261 19124 319 1 3 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.043 0.035 19124 320 1 3 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.751 -0.651 19124 321 1 3 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.189 -0.612 19124 322 1 3 . 1 1 20 20 GLN H H 20 7.893 7.893 8.287 -0.394 19124 323 1 3 . 1 1 21 21 CYS N N 21 120.856 120.856 118.875 1.981 19124 324 1 3 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.117 0.115 19124 325 1 3 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.128 -3.111 19124 326 1 3 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.131 10.610 19124 327 1 3 . 1 1 21 21 CYS H H 21 7.992 7.992 7.491 0.501 19124 328 1 3 . 1 1 22 22 MET N N 22 121.200 121.200 119.790 1.410 19124 329 1 3 . 1 1 22 22 MET HA H 22 4.290 4.290 4.068 0.222 19124 330 1 3 . 1 1 22 22 MET CA C 22 56.986 56.986 58.503 -1.517 19124 331 1 3 . 1 1 22 22 MET CB C 22 30.725 30.725 31.797 -1.072 19124 332 1 3 . 1 1 22 22 MET H H 22 8.673 8.673 8.452 0.221 19124 333 1 3 . 1 1 23 23 LYS N N 23 120.853 120.853 118.286 2.567 19124 334 1 3 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.098 0.092 19124 335 1 3 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.287 -0.542 19124 336 1 3 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.224 -0.503 19124 337 1 3 . 1 1 23 23 LYS H H 23 8.128 8.128 8.124 0.004 19124 338 1 3 . 1 1 24 24 GLY N N 24 104.975 104.975 106.919 -1.944 19124 339 1 3 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.765 -1.324 19124 340 1 3 . 1 1 24 24 GLY H H 24 7.895 7.895 8.028 -0.133 19124 341 1 3 . 1 1 25 25 CYS N N 25 119.579 119.579 121.243 -1.664 19124 342 1 3 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.985 -0.497 19124 343 1 3 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.130 -1.650 19124 344 1 3 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.664 14.771 19124 345 1 3 . 1 1 25 25 CYS H H 25 7.862 7.862 8.133 -0.271 19124 346 1 3 . 1 1 26 26 ARG N N 26 121.480 121.480 120.090 1.390 19124 347 1 3 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.163 0.127 19124 348 1 3 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.218 -0.581 19124 349 1 3 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.289 -0.160 19124 350 1 3 . 1 1 26 26 ARG H H 26 8.298 8.298 7.917 0.381 19124 351 1 3 . 1 1 27 27 TYR N N 27 119.050 119.050 117.481 1.569 19124 352 1 3 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.569 0.180 19124 353 1 3 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.860 -0.534 19124 354 1 3 . 1 1 27 27 TYR H H 27 8.016 8.016 7.452 0.564 19124 355 1 4 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.553 0.203 19124 356 1 4 . 1 1 2 2 ASP CB C 2 40.936 40.936 41.153 -0.216 19124 357 1 4 . 1 1 3 3 ASP N N 3 123.145 123.145 118.488 4.657 19124 358 1 4 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.647 0.079 19124 359 1 4 . 1 1 3 3 ASP CA C 3 53.812 53.812 53.922 -0.111 19124 360 1 4 . 1 1 3 3 ASP CB C 3 40.848 40.848 39.461 1.387 19124 361 1 4 . 1 1 3 3 ASP H H 3 8.502 8.502 8.565 -0.063 19124 362 1 4 . 1 1 4 4 ARG N N 4 121.446 121.446 120.779 0.667 19124 363 1 4 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.193 -0.150 19124 364 1 4 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.698 -0.753 19124 365 1 4 . 1 1 4 4 ARG CB C 4 29.658 29.658 30.437 -0.779 19124 366 1 4 . 1 1 4 4 ARG H H 4 8.524 8.524 8.110 0.414 19124 367 1 4 . 1 1 5 5 CYS N N 5 118.368 118.368 117.064 1.304 19124 368 1 4 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.237 0.438 19124 369 1 4 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.336 -5.599 19124 370 1 4 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.992 10.984 19124 371 1 4 . 1 1 5 5 CYS H H 5 8.465 8.465 8.664 -0.199 19124 372 1 4 . 1 1 6 6 GLU N N 6 121.562 121.562 118.476 3.086 19124 373 1 4 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.985 0.024 19124 374 1 4 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.488 0.027 19124 375 1 4 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.165 -0.720 19124 376 1 4 . 1 1 6 6 GLU H H 6 8.501 8.501 8.331 0.170 19124 377 1 4 . 1 1 7 7 ARG N N 7 117.167 117.167 117.548 -0.381 19124 378 1 4 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.073 0.058 19124 379 1 4 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.550 -2.372 19124 380 1 4 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.245 -0.782 19124 381 1 4 . 1 1 7 7 ARG H H 7 8.073 8.073 7.722 0.351 19124 382 1 4 . 1 1 8 8 MET N N 8 118.916 118.916 118.107 0.809 19124 383 1 4 . 1 1 8 8 MET HA H 8 4.325 4.325 4.295 0.030 19124 384 1 4 . 1 1 8 8 MET CA C 8 57.991 57.991 58.487 -0.496 19124 385 1 4 . 1 1 8 8 MET CB C 8 32.167 32.167 32.534 -0.367 19124 386 1 4 . 1 1 8 8 MET H H 8 8.120 8.120 7.862 0.258 19124 387 1 4 . 1 1 9 9 CYS N N 9 114.907 114.907 115.991 -1.084 19124 388 1 4 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.536 0.634 19124 389 1 4 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.511 -4.982 19124 390 1 4 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.272 12.715 19124 391 1 4 . 1 1 9 9 CYS H H 9 8.136 8.136 8.184 -0.048 19124 392 1 4 . 1 1 10 10 GLN N N 10 120.125 120.125 121.688 -1.563 19124 393 1 4 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.966 0.151 19124 394 1 4 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.955 -1.421 19124 395 1 4 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.539 -1.038 19124 396 1 4 . 1 1 10 10 GLN H H 10 7.736 7.736 7.729 0.007 19124 397 1 4 . 1 1 11 11 ARG N N 11 114.823 114.823 117.129 -2.306 19124 398 1 4 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.950 0.175 19124 399 1 4 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.857 0.789 19124 400 1 4 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.614 -0.980 19124 401 1 4 . 1 1 11 11 ARG H H 11 7.679 7.679 7.816 -0.137 19124 402 1 4 . 1 1 12 12 TYR N N 12 119.718 119.718 119.470 0.248 19124 403 1 4 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.591 -0.017 19124 404 1 4 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.722 0.941 19124 405 1 4 . 1 1 12 12 TYR CB C 12 37.055 37.055 36.895 0.160 19124 406 1 4 . 1 1 12 12 TYR H H 12 7.405 7.405 7.294 0.111 19124 407 1 4 . 1 1 13 13 HIS CB C 13 28.878 28.878 30.170 -1.292 19124 408 1 4 . 1 1 14 14 ASP N N 14 121.456 121.456 118.714 2.742 19124 409 1 4 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.890 -0.120 19124 410 1 4 . 1 1 14 14 ASP CB C 14 42.593 42.593 43.568 -0.975 19124 411 1 4 . 1 1 14 14 ASP H H 14 8.501 8.501 7.863 0.638 19124 412 1 4 . 1 1 15 15 ARG N N 15 126.394 126.394 123.203 3.191 19124 413 1 4 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.873 0.141 19124 414 1 4 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.023 0.207 19124 415 1 4 . 1 1 15 15 ARG CB C 15 29.636 29.636 29.953 -0.317 19124 416 1 4 . 1 1 15 15 ARG H H 15 8.975 8.975 8.726 0.249 19124 417 1 4 . 1 1 16 16 ARG N N 16 120.362 120.362 119.460 0.902 19124 418 1 4 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.109 -0.007 19124 419 1 4 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.191 -0.172 19124 420 1 4 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.536 -0.644 19124 421 1 4 . 1 1 16 16 ARG H H 16 8.436 8.436 8.460 -0.024 19124 422 1 4 . 1 1 17 17 GLU N N 17 120.565 120.565 118.914 1.651 19124 423 1 4 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.989 -0.077 19124 424 1 4 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.865 -0.241 19124 425 1 4 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.653 0.581 19124 426 1 4 . 1 1 17 17 GLU H H 17 8.245 8.245 8.492 -0.247 19124 427 1 4 . 1 1 18 18 LYS N N 18 121.316 121.316 119.694 1.622 19124 428 1 4 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.981 -0.085 19124 429 1 4 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.207 2.005 19124 430 1 4 . 1 1 18 18 LYS CB C 18 31.447 31.447 31.938 -0.490 19124 431 1 4 . 1 1 18 18 LYS H H 18 8.768 8.768 7.912 0.856 19124 432 1 4 . 1 1 19 19 LYS N N 19 119.130 119.130 119.651 -0.521 19124 433 1 4 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.919 0.114 19124 434 1 4 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.612 -0.033 19124 435 1 4 . 1 1 19 19 LYS H H 19 8.070 8.070 7.824 0.246 19124 436 1 4 . 1 1 20 20 GLN N N 20 118.825 118.825 118.254 0.571 19124 437 1 4 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.034 0.044 19124 438 1 4 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.609 -0.509 19124 439 1 4 . 1 1 20 20 GLN CB C 20 27.577 27.577 27.869 -0.292 19124 440 1 4 . 1 1 20 20 GLN H H 20 7.893 7.893 8.176 -0.283 19124 441 1 4 . 1 1 21 21 CYS N N 21 120.856 120.856 120.111 0.745 19124 442 1 4 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.147 0.085 19124 443 1 4 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.199 -3.182 19124 444 1 4 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.185 10.556 19124 445 1 4 . 1 1 21 21 CYS H H 21 7.992 7.992 7.418 0.574 19124 446 1 4 . 1 1 22 22 MET N N 22 121.200 121.200 119.324 1.876 19124 447 1 4 . 1 1 22 22 MET HA H 22 4.290 4.290 4.118 0.172 19124 448 1 4 . 1 1 22 22 MET CA C 22 56.986 56.986 58.228 -1.242 19124 449 1 4 . 1 1 22 22 MET CB C 22 30.725 30.725 31.765 -1.040 19124 450 1 4 . 1 1 22 22 MET H H 22 8.673 8.673 8.397 0.276 19124 451 1 4 . 1 1 23 23 LYS N N 23 120.853 120.853 116.316 4.537 19124 452 1 4 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.292 -0.102 19124 453 1 4 . 1 1 23 23 LYS CA C 23 58.745 58.745 58.106 0.639 19124 454 1 4 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.557 -0.837 19124 455 1 4 . 1 1 23 23 LYS H H 23 8.128 8.128 8.037 0.091 19124 456 1 4 . 1 1 24 24 GLY N N 24 104.975 104.975 107.349 -2.374 19124 457 1 4 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.617 -1.176 19124 458 1 4 . 1 1 24 24 GLY H H 24 7.895 7.895 8.090 -0.195 19124 459 1 4 . 1 1 25 25 CYS N N 25 119.579 119.579 118.277 1.302 19124 460 1 4 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.579 -0.091 19124 461 1 4 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.211 -1.731 19124 462 1 4 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.277 15.158 19124 463 1 4 . 1 1 25 25 CYS H H 25 7.862 7.862 7.905 -0.043 19124 464 1 4 . 1 1 26 26 ARG N N 26 121.480 121.480 120.195 1.285 19124 465 1 4 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.346 -0.056 19124 466 1 4 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.314 -0.677 19124 467 1 4 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.245 -0.116 19124 468 1 4 . 1 1 26 26 ARG H H 26 8.298 8.298 7.729 0.569 19124 469 1 4 . 1 1 27 27 TYR N N 27 119.050 119.050 118.325 0.725 19124 470 1 4 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.420 0.329 19124 471 1 4 . 1 1 27 27 TYR CB C 27 38.326 38.326 39.308 -0.982 19124 472 1 4 . 1 1 27 27 TYR H H 27 8.016 8.016 7.818 0.198 19124 473 1 5 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.335 0.421 19124 474 1 5 . 1 1 2 2 ASP CB C 2 40.936 40.936 40.785 0.151 19124 475 1 5 . 1 1 3 3 ASP N N 3 123.145 123.145 118.309 4.836 19124 476 1 5 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.686 0.040 19124 477 1 5 . 1 1 3 3 ASP CA C 3 53.812 53.812 55.964 -2.152 19124 478 1 5 . 1 1 3 3 ASP CB C 3 40.848 40.848 40.730 0.118 19124 479 1 5 . 1 1 3 3 ASP H H 3 8.502 8.502 8.671 -0.169 19124 480 1 5 . 1 1 4 4 ARG N N 4 121.446 121.446 120.778 0.668 19124 481 1 5 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.057 -0.014 19124 482 1 5 . 1 1 4 4 ARG CA C 4 58.945 58.945 58.901 0.043 19124 483 1 5 . 1 1 4 4 ARG CB C 4 29.658 29.658 28.941 0.717 19124 484 1 5 . 1 1 4 4 ARG H H 4 8.524 8.524 8.446 0.078 19124 485 1 5 . 1 1 5 5 CYS N N 5 118.368 118.368 118.707 -0.339 19124 486 1 5 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.306 0.369 19124 487 1 5 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.897 -5.160 19124 488 1 5 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.525 11.451 19124 489 1 5 . 1 1 5 5 CYS H H 5 8.465 8.465 8.534 -0.069 19124 490 1 5 . 1 1 6 6 GLU N N 6 121.562 121.562 120.074 1.488 19124 491 1 5 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.954 0.055 19124 492 1 5 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.114 0.401 19124 493 1 5 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.428 -0.983 19124 494 1 5 . 1 1 6 6 GLU H H 6 8.501 8.501 7.644 0.857 19124 495 1 5 . 1 1 7 7 ARG N N 7 117.167 117.167 117.641 -0.474 19124 496 1 5 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.098 0.033 19124 497 1 5 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.479 -2.301 19124 498 1 5 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.324 -0.861 19124 499 1 5 . 1 1 7 7 ARG H H 7 8.073 8.073 8.004 0.069 19124 500 1 5 . 1 1 8 8 MET N N 8 118.916 118.916 118.614 0.302 19124 501 1 5 . 1 1 8 8 MET HA H 8 4.325 4.325 4.221 0.104 19124 502 1 5 . 1 1 8 8 MET CA C 8 57.991 57.991 59.070 -1.079 19124 503 1 5 . 1 1 8 8 MET CB C 8 32.167 32.167 32.877 -0.710 19124 504 1 5 . 1 1 8 8 MET H H 8 8.120 8.120 7.767 0.353 19124 505 1 5 . 1 1 9 9 CYS N N 9 114.907 114.907 115.797 -0.890 19124 506 1 5 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.514 0.656 19124 507 1 5 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.416 -4.888 19124 508 1 5 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.358 12.629 19124 509 1 5 . 1 1 9 9 CYS H H 9 8.136 8.136 8.246 -0.110 19124 510 1 5 . 1 1 10 10 GLN N N 10 120.125 120.125 121.826 -1.701 19124 511 1 5 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.030 0.087 19124 512 1 5 . 1 1 10 10 GLN CA C 10 57.534 57.534 59.222 -1.688 19124 513 1 5 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.537 -1.036 19124 514 1 5 . 1 1 10 10 GLN H H 10 7.736 7.736 8.039 -0.303 19124 515 1 5 . 1 1 11 11 ARG N N 11 114.823 114.823 117.039 -2.216 19124 516 1 5 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.842 0.283 19124 517 1 5 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.765 0.881 19124 518 1 5 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.608 -0.974 19124 519 1 5 . 1 1 11 11 ARG H H 11 7.679 7.679 7.755 -0.076 19124 520 1 5 . 1 1 12 12 TYR N N 12 119.718 119.718 119.230 0.488 19124 521 1 5 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.659 -0.085 19124 522 1 5 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.438 1.225 19124 523 1 5 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.186 -0.131 19124 524 1 5 . 1 1 12 12 TYR H H 12 7.405 7.405 7.412 -0.007 19124 525 1 5 . 1 1 13 13 HIS CB C 13 28.878 28.878 29.955 -1.077 19124 526 1 5 . 1 1 14 14 ASP N N 14 121.456 121.456 118.798 2.658 19124 527 1 5 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.818 -0.048 19124 528 1 5 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.899 -0.306 19124 529 1 5 . 1 1 14 14 ASP H H 14 8.501 8.501 8.001 0.500 19124 530 1 5 . 1 1 15 15 ARG N N 15 126.394 126.394 124.179 2.215 19124 531 1 5 . 1 1 15 15 ARG HA H 15 4.014 4.014 4.036 -0.022 19124 532 1 5 . 1 1 15 15 ARG CA C 15 59.230 59.230 58.214 1.016 19124 533 1 5 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.100 -0.464 19124 534 1 5 . 1 1 15 15 ARG H H 15 8.975 8.975 8.796 0.180 19124 535 1 5 . 1 1 16 16 ARG N N 16 120.362 120.362 119.721 0.641 19124 536 1 5 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.099 0.003 19124 537 1 5 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.428 -0.408 19124 538 1 5 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.786 -0.894 19124 539 1 5 . 1 1 16 16 ARG H H 16 8.436 8.436 7.701 0.735 19124 540 1 5 . 1 1 17 17 GLU N N 17 120.565 120.565 119.366 1.199 19124 541 1 5 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.948 -0.036 19124 542 1 5 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.972 -0.348 19124 543 1 5 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.843 0.391 19124 544 1 5 . 1 1 17 17 GLU H H 17 8.245 8.245 8.512 -0.267 19124 545 1 5 . 1 1 18 18 LYS N N 18 121.316 121.316 119.338 1.978 19124 546 1 5 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.989 -0.093 19124 547 1 5 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.844 1.368 19124 548 1 5 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.105 -0.658 19124 549 1 5 . 1 1 18 18 LYS H H 18 8.768 8.768 7.876 0.892 19124 550 1 5 . 1 1 19 19 LYS N N 19 119.130 119.130 119.221 -0.091 19124 551 1 5 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.895 0.138 19124 552 1 5 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.611 -0.032 19124 553 1 5 . 1 1 19 19 LYS H H 19 8.070 8.070 7.749 0.321 19124 554 1 5 . 1 1 20 20 GLN N N 20 118.825 118.825 118.888 -0.063 19124 555 1 5 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.084 -0.006 19124 556 1 5 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.592 -0.492 19124 557 1 5 . 1 1 20 20 GLN CB C 20 27.577 27.577 27.790 -0.213 19124 558 1 5 . 1 1 20 20 GLN H H 20 7.893 7.893 8.209 -0.316 19124 559 1 5 . 1 1 21 21 CYS N N 21 120.856 120.856 119.151 1.705 19124 560 1 5 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.173 0.059 19124 561 1 5 . 1 1 21 21 CYS CA C 21 59.017 59.017 61.975 -2.958 19124 562 1 5 . 1 1 21 21 CYS CB C 21 36.741 36.741 25.964 10.777 19124 563 1 5 . 1 1 21 21 CYS H H 21 7.992 7.992 7.404 0.588 19124 564 1 5 . 1 1 22 22 MET N N 22 121.200 121.200 120.041 1.159 19124 565 1 5 . 1 1 22 22 MET HA H 22 4.290 4.290 4.057 0.233 19124 566 1 5 . 1 1 22 22 MET CA C 22 56.986 56.986 58.234 -1.248 19124 567 1 5 . 1 1 22 22 MET CB C 22 30.725 30.725 31.732 -1.007 19124 568 1 5 . 1 1 22 22 MET H H 22 8.673 8.673 8.337 0.336 19124 569 1 5 . 1 1 23 23 LYS N N 23 120.853 120.853 118.744 2.109 19124 570 1 5 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.111 0.079 19124 571 1 5 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.260 -0.515 19124 572 1 5 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.246 -0.526 19124 573 1 5 . 1 1 23 23 LYS H H 23 8.128 8.128 8.331 -0.203 19124 574 1 5 . 1 1 24 24 GLY N N 24 104.975 104.975 106.724 -1.749 19124 575 1 5 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.909 -1.468 19124 576 1 5 . 1 1 24 24 GLY H H 24 7.895 7.895 8.045 -0.150 19124 577 1 5 . 1 1 25 25 CYS N N 25 119.579 119.579 120.056 -0.477 19124 578 1 5 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.548 -0.060 19124 579 1 5 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.839 -2.359 19124 580 1 5 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.492 14.943 19124 581 1 5 . 1 1 25 25 CYS H H 25 7.862 7.862 7.825 0.037 19124 582 1 5 . 1 1 26 26 ARG N N 26 121.480 121.480 119.095 2.385 19124 583 1 5 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.305 -0.015 19124 584 1 5 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.251 -0.614 19124 585 1 5 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.170 -0.041 19124 586 1 5 . 1 1 26 26 ARG H H 26 8.298 8.298 7.954 0.344 19124 587 1 5 . 1 1 27 27 TYR N N 27 119.050 119.050 119.108 -0.058 19124 588 1 5 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.347 0.402 19124 589 1 5 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.399 -0.073 19124 590 1 5 . 1 1 27 27 TYR H H 27 8.016 8.016 7.767 0.249 19124 591 1 6 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.711 0.045 19124 592 1 6 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.733 -1.797 19124 593 1 6 . 1 1 3 3 ASP N N 3 123.145 123.145 121.039 2.106 19124 594 1 6 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.547 0.179 19124 595 1 6 . 1 1 3 3 ASP CA C 3 53.812 53.812 55.579 -1.767 19124 596 1 6 . 1 1 3 3 ASP CB C 3 40.848 40.848 41.126 -0.278 19124 597 1 6 . 1 1 3 3 ASP H H 3 8.502 8.502 8.551 -0.049 19124 598 1 6 . 1 1 4 4 ARG N N 4 121.446 121.446 119.886 1.560 19124 599 1 6 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.000 0.043 19124 600 1 6 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.116 -0.171 19124 601 1 6 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.901 -0.243 19124 602 1 6 . 1 1 4 4 ARG H H 4 8.524 8.524 8.456 0.068 19124 603 1 6 . 1 1 5 5 CYS N N 5 118.368 118.368 116.886 1.482 19124 604 1 6 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.255 0.420 19124 605 1 6 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.986 -5.249 19124 606 1 6 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.256 10.720 19124 607 1 6 . 1 1 5 5 CYS H H 5 8.465 8.465 7.807 0.658 19124 608 1 6 . 1 1 6 6 GLU N N 6 121.562 121.562 119.621 1.941 19124 609 1 6 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.957 0.052 19124 610 1 6 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.622 -0.107 19124 611 1 6 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.068 -0.623 19124 612 1 6 . 1 1 6 6 GLU H H 6 8.501 8.501 8.244 0.257 19124 613 1 6 . 1 1 7 7 ARG N N 7 117.167 117.167 118.039 -0.872 19124 614 1 6 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.018 0.113 19124 615 1 6 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.572 -2.394 19124 616 1 6 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.230 -0.767 19124 617 1 6 . 1 1 7 7 ARG H H 7 8.073 8.073 7.958 0.115 19124 618 1 6 . 1 1 8 8 MET N N 8 118.916 118.916 118.155 0.761 19124 619 1 6 . 1 1 8 8 MET HA H 8 4.325 4.325 4.276 0.049 19124 620 1 6 . 1 1 8 8 MET CA C 8 57.991 57.991 58.376 -0.385 19124 621 1 6 . 1 1 8 8 MET CB C 8 32.167 32.167 32.546 -0.379 19124 622 1 6 . 1 1 8 8 MET H H 8 8.120 8.120 7.648 0.472 19124 623 1 6 . 1 1 9 9 CYS N N 9 114.907 114.907 116.177 -1.270 19124 624 1 6 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.497 0.673 19124 625 1 6 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.504 -4.975 19124 626 1 6 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.255 12.732 19124 627 1 6 . 1 1 9 9 CYS H H 9 8.136 8.136 8.261 -0.125 19124 628 1 6 . 1 1 10 10 GLN N N 10 120.125 120.125 122.139 -2.014 19124 629 1 6 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.985 0.132 19124 630 1 6 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.021 -0.487 19124 631 1 6 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.041 -0.540 19124 632 1 6 . 1 1 10 10 GLN H H 10 7.736 7.736 7.823 -0.087 19124 633 1 6 . 1 1 11 11 ARG N N 11 114.823 114.823 117.441 -2.618 19124 634 1 6 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.968 0.157 19124 635 1 6 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.662 0.984 19124 636 1 6 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.756 -1.122 19124 637 1 6 . 1 1 11 11 ARG H H 11 7.679 7.679 7.821 -0.142 19124 638 1 6 . 1 1 12 12 TYR N N 12 119.718 119.718 119.373 0.345 19124 639 1 6 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.569 0.005 19124 640 1 6 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.549 1.114 19124 641 1 6 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.043 0.012 19124 642 1 6 . 1 1 12 12 TYR H H 12 7.405 7.405 7.278 0.127 19124 643 1 6 . 1 1 13 13 HIS CB C 13 28.878 28.878 30.099 -1.221 19124 644 1 6 . 1 1 14 14 ASP N N 14 121.456 121.456 119.070 2.386 19124 645 1 6 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.957 -0.187 19124 646 1 6 . 1 1 14 14 ASP CB C 14 42.593 42.593 44.083 -1.490 19124 647 1 6 . 1 1 14 14 ASP H H 14 8.501 8.501 7.995 0.506 19124 648 1 6 . 1 1 15 15 ARG N N 15 126.394 126.394 124.049 2.345 19124 649 1 6 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.938 0.076 19124 650 1 6 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.066 0.163 19124 651 1 6 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.009 -0.373 19124 652 1 6 . 1 1 15 15 ARG H H 15 8.975 8.975 8.787 0.188 19124 653 1 6 . 1 1 16 16 ARG N N 16 120.362 120.362 119.562 0.800 19124 654 1 6 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.116 -0.014 19124 655 1 6 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.183 -0.163 19124 656 1 6 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.548 -0.656 19124 657 1 6 . 1 1 16 16 ARG H H 16 8.436 8.436 8.495 -0.059 19124 658 1 6 . 1 1 17 17 GLU N N 17 120.565 120.565 118.923 1.642 19124 659 1 6 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.995 -0.083 19124 660 1 6 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.743 -0.119 19124 661 1 6 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.643 0.591 19124 662 1 6 . 1 1 17 17 GLU H H 17 8.245 8.245 8.501 -0.256 19124 663 1 6 . 1 1 18 18 LYS N N 18 121.316 121.316 119.775 1.541 19124 664 1 6 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.969 -0.073 19124 665 1 6 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.871 1.341 19124 666 1 6 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.142 -0.695 19124 667 1 6 . 1 1 18 18 LYS H H 18 8.768 8.768 7.949 0.819 19124 668 1 6 . 1 1 19 19 LYS N N 19 119.130 119.130 119.754 -0.624 19124 669 1 6 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.925 0.108 19124 670 1 6 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.568 0.011 19124 671 1 6 . 1 1 19 19 LYS H H 19 8.070 8.070 7.718 0.352 19124 672 1 6 . 1 1 20 20 GLN N N 20 118.825 118.825 118.317 0.508 19124 673 1 6 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.043 0.035 19124 674 1 6 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.680 -0.580 19124 675 1 6 . 1 1 20 20 GLN CB C 20 27.577 27.577 27.835 -0.258 19124 676 1 6 . 1 1 20 20 GLN H H 20 7.893 7.893 8.215 -0.322 19124 677 1 6 . 1 1 21 21 CYS N N 21 120.856 120.856 120.104 0.752 19124 678 1 6 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.142 0.090 19124 679 1 6 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.202 -3.185 19124 680 1 6 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.165 10.576 19124 681 1 6 . 1 1 21 21 CYS H H 21 7.992 7.992 7.408 0.584 19124 682 1 6 . 1 1 22 22 MET N N 22 121.200 121.200 119.502 1.698 19124 683 1 6 . 1 1 22 22 MET HA H 22 4.290 4.290 4.069 0.221 19124 684 1 6 . 1 1 22 22 MET CA C 22 56.986 56.986 58.439 -1.453 19124 685 1 6 . 1 1 22 22 MET CB C 22 30.725 30.725 31.830 -1.105 19124 686 1 6 . 1 1 22 22 MET H H 22 8.673 8.673 8.281 0.392 19124 687 1 6 . 1 1 23 23 LYS N N 23 120.853 120.853 117.178 3.675 19124 688 1 6 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.142 0.048 19124 689 1 6 . 1 1 23 23 LYS CA C 23 58.745 58.745 58.980 -0.235 19124 690 1 6 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.465 -0.745 19124 691 1 6 . 1 1 23 23 LYS H H 23 8.128 8.128 8.119 0.009 19124 692 1 6 . 1 1 24 24 GLY N N 24 104.975 104.975 107.368 -2.393 19124 693 1 6 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.602 -1.161 19124 694 1 6 . 1 1 24 24 GLY H H 24 7.895 7.895 7.997 -0.102 19124 695 1 6 . 1 1 25 25 CYS N N 25 119.579 119.579 119.131 0.448 19124 696 1 6 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.544 -0.056 19124 697 1 6 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.081 -1.601 19124 698 1 6 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.404 15.031 19124 699 1 6 . 1 1 25 25 CYS H H 25 7.862 7.862 7.612 0.250 19124 700 1 6 . 1 1 26 26 ARG N N 26 121.480 121.480 119.968 1.512 19124 701 1 6 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.323 -0.033 19124 702 1 6 . 1 1 26 26 ARG CA C 26 56.637 56.637 56.794 -0.157 19124 703 1 6 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.243 -0.114 19124 704 1 6 . 1 1 26 26 ARG H H 26 8.298 8.298 7.675 0.623 19124 705 1 6 . 1 1 27 27 TYR N N 27 119.050 119.050 118.598 0.452 19124 706 1 6 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.425 0.324 19124 707 1 6 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.837 -0.510 19124 708 1 6 . 1 1 27 27 TYR H H 27 8.016 8.016 7.789 0.227 19124 709 1 7 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.880 -0.124 19124 710 1 7 . 1 1 2 2 ASP CB C 2 40.936 40.936 41.824 -0.888 19124 711 1 7 . 1 1 3 3 ASP N N 3 123.145 123.145 119.546 3.599 19124 712 1 7 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.709 0.017 19124 713 1 7 . 1 1 3 3 ASP CA C 3 53.812 53.812 54.291 -0.479 19124 714 1 7 . 1 1 3 3 ASP CB C 3 40.848 40.848 42.021 -1.173 19124 715 1 7 . 1 1 3 3 ASP H H 3 8.502 8.502 8.105 0.397 19124 716 1 7 . 1 1 4 4 ARG N N 4 121.446 121.446 120.425 1.021 19124 717 1 7 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.122 -0.079 19124 718 1 7 . 1 1 4 4 ARG CA C 4 58.945 58.945 58.799 0.146 19124 719 1 7 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.329 0.329 19124 720 1 7 . 1 1 4 4 ARG H H 4 8.524 8.524 8.428 0.096 19124 721 1 7 . 1 1 5 5 CYS N N 5 118.368 118.368 119.760 -1.392 19124 722 1 7 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.255 0.420 19124 723 1 7 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.642 -5.905 19124 724 1 7 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.891 11.085 19124 725 1 7 . 1 1 5 5 CYS H H 5 8.465 8.465 8.450 0.015 19124 726 1 7 . 1 1 6 6 GLU N N 6 121.562 121.562 119.661 1.901 19124 727 1 7 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.845 0.164 19124 728 1 7 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.808 -0.293 19124 729 1 7 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.211 -0.766 19124 730 1 7 . 1 1 6 6 GLU H H 6 8.501 8.501 8.434 0.067 19124 731 1 7 . 1 1 7 7 ARG N N 7 117.167 117.167 118.247 -1.080 19124 732 1 7 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.040 0.091 19124 733 1 7 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.713 -2.535 19124 734 1 7 . 1 1 7 7 ARG CB C 7 29.463 29.463 29.998 -0.535 19124 735 1 7 . 1 1 7 7 ARG H H 7 8.073 8.073 7.844 0.229 19124 736 1 7 . 1 1 8 8 MET N N 8 118.916 118.916 118.358 0.558 19124 737 1 7 . 1 1 8 8 MET HA H 8 4.325 4.325 4.147 0.178 19124 738 1 7 . 1 1 8 8 MET CA C 8 57.991 57.991 59.143 -1.152 19124 739 1 7 . 1 1 8 8 MET CB C 8 32.167 32.167 32.659 -0.492 19124 740 1 7 . 1 1 8 8 MET H H 8 8.120 8.120 7.864 0.256 19124 741 1 7 . 1 1 9 9 CYS N N 9 114.907 114.907 117.426 -2.519 19124 742 1 7 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.565 0.605 19124 743 1 7 . 1 1 9 9 CYS CA C 9 53.529 53.529 60.775 -7.246 19124 744 1 7 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.115 12.872 19124 745 1 7 . 1 1 9 9 CYS H H 9 8.136 8.136 8.576 -0.440 19124 746 1 7 . 1 1 10 10 GLN N N 10 120.125 120.125 120.639 -0.514 19124 747 1 7 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.023 0.094 19124 748 1 7 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.445 -0.911 19124 749 1 7 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.257 -0.756 19124 750 1 7 . 1 1 10 10 GLN H H 10 7.736 7.736 8.000 -0.264 19124 751 1 7 . 1 1 11 11 ARG N N 11 114.823 114.823 117.585 -2.762 19124 752 1 7 . 1 1 11 11 ARG HA H 11 4.125 4.125 4.014 0.111 19124 753 1 7 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.727 0.919 19124 754 1 7 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.840 -1.206 19124 755 1 7 . 1 1 11 11 ARG H H 11 7.679 7.679 7.398 0.281 19124 756 1 7 . 1 1 12 12 TYR N N 12 119.718 119.718 119.134 0.584 19124 757 1 7 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.656 -0.082 19124 758 1 7 . 1 1 12 12 TYR CA C 12 57.663 57.663 55.605 2.058 19124 759 1 7 . 1 1 12 12 TYR CB C 12 37.055 37.055 36.870 0.185 19124 760 1 7 . 1 1 12 12 TYR H H 12 7.405 7.405 7.634 -0.229 19124 761 1 7 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.325 0.553 19124 762 1 7 . 1 1 14 14 ASP N N 14 121.456 121.456 120.977 0.479 19124 763 1 7 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.739 0.031 19124 764 1 7 . 1 1 14 14 ASP CB C 14 42.593 42.593 43.311 -0.718 19124 765 1 7 . 1 1 14 14 ASP H H 14 8.501 8.501 8.139 0.362 19124 766 1 7 . 1 1 15 15 ARG N N 15 126.394 126.394 124.592 1.802 19124 767 1 7 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.961 0.053 19124 768 1 7 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.084 0.146 19124 769 1 7 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.304 -0.668 19124 770 1 7 . 1 1 15 15 ARG H H 15 8.975 8.975 8.798 0.177 19124 771 1 7 . 1 1 16 16 ARG N N 16 120.362 120.362 119.747 0.615 19124 772 1 7 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.105 -0.003 19124 773 1 7 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.260 -0.240 19124 774 1 7 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.565 -0.673 19124 775 1 7 . 1 1 16 16 ARG H H 16 8.436 8.436 8.540 -0.104 19124 776 1 7 . 1 1 17 17 GLU N N 17 120.565 120.565 119.368 1.197 19124 777 1 7 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.958 -0.046 19124 778 1 7 . 1 1 17 17 GLU CA C 17 58.624 58.624 59.016 -0.392 19124 779 1 7 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.841 0.393 19124 780 1 7 . 1 1 17 17 GLU H H 17 8.245 8.245 8.519 -0.274 19124 781 1 7 . 1 1 18 18 LYS N N 18 121.316 121.316 119.638 1.678 19124 782 1 7 . 1 1 18 18 LYS HA H 18 3.896 3.896 4.005 -0.109 19124 783 1 7 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.459 0.753 19124 784 1 7 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.278 -0.831 19124 785 1 7 . 1 1 18 18 LYS H H 18 8.768 8.768 7.866 0.902 19124 786 1 7 . 1 1 19 19 LYS N N 19 119.130 119.130 119.128 0.002 19124 787 1 7 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.829 0.204 19124 788 1 7 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.974 -0.395 19124 789 1 7 . 1 1 19 19 LYS H H 19 8.070 8.070 7.742 0.328 19124 790 1 7 . 1 1 20 20 GLN N N 20 118.825 118.825 118.220 0.605 19124 791 1 7 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.036 0.042 19124 792 1 7 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.782 -0.682 19124 793 1 7 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.268 -0.691 19124 794 1 7 . 1 1 20 20 GLN H H 20 7.893 7.893 8.159 -0.266 19124 795 1 7 . 1 1 21 21 CYS N N 21 120.856 120.856 118.987 1.869 19124 796 1 7 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.097 0.135 19124 797 1 7 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.348 -3.331 19124 798 1 7 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.325 10.416 19124 799 1 7 . 1 1 21 21 CYS H H 21 7.992 7.992 7.513 0.479 19124 800 1 7 . 1 1 22 22 MET N N 22 121.200 121.200 119.259 1.941 19124 801 1 7 . 1 1 22 22 MET HA H 22 4.290 4.290 4.056 0.234 19124 802 1 7 . 1 1 22 22 MET CA C 22 56.986 56.986 58.337 -1.351 19124 803 1 7 . 1 1 22 22 MET CB C 22 30.725 30.725 31.700 -0.975 19124 804 1 7 . 1 1 22 22 MET H H 22 8.673 8.673 8.612 0.061 19124 805 1 7 . 1 1 23 23 LYS N N 23 120.853 120.853 118.124 2.729 19124 806 1 7 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.125 0.065 19124 807 1 7 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.121 -0.376 19124 808 1 7 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.224 -0.504 19124 809 1 7 . 1 1 23 23 LYS H H 23 8.128 8.128 8.368 -0.240 19124 810 1 7 . 1 1 24 24 GLY N N 24 104.975 104.975 107.633 -2.658 19124 811 1 7 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.945 -1.504 19124 812 1 7 . 1 1 24 24 GLY H H 24 7.895 7.895 7.969 -0.074 19124 813 1 7 . 1 1 25 25 CYS N N 25 119.579 119.579 120.163 -0.584 19124 814 1 7 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.792 -0.304 19124 815 1 7 . 1 1 25 25 CYS CA C 25 56.480 56.480 57.843 -1.363 19124 816 1 7 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.582 14.853 19124 817 1 7 . 1 1 25 25 CYS H H 25 7.862 7.862 7.815 0.047 19124 818 1 7 . 1 1 26 26 ARG N N 26 121.480 121.480 120.896 0.584 19124 819 1 7 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.068 0.222 19124 820 1 7 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.185 -0.548 19124 821 1 7 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.123 0.005 19124 822 1 7 . 1 1 26 26 ARG H H 26 8.298 8.298 7.465 0.834 19124 823 1 7 . 1 1 27 27 TYR N N 27 119.050 119.050 116.929 2.121 19124 824 1 7 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.639 0.110 19124 825 1 7 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.980 -0.654 19124 826 1 7 . 1 1 27 27 TYR H H 27 8.016 8.016 7.473 0.543 19124 827 1 8 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.645 0.111 19124 828 1 8 . 1 1 2 2 ASP CB C 2 40.936 40.936 40.423 0.513 19124 829 1 8 . 1 1 3 3 ASP N N 3 123.145 123.145 123.420 -0.275 19124 830 1 8 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.737 -0.011 19124 831 1 8 . 1 1 3 3 ASP CA C 3 53.812 53.812 52.645 1.167 19124 832 1 8 . 1 1 3 3 ASP CB C 3 40.848 40.848 39.369 1.479 19124 833 1 8 . 1 1 3 3 ASP H H 3 8.502 8.502 8.109 0.393 19124 834 1 8 . 1 1 4 4 ARG N N 4 121.446 121.446 120.396 1.050 19124 835 1 8 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.072 -0.029 19124 836 1 8 . 1 1 4 4 ARG CA C 4 58.945 58.945 58.550 0.396 19124 837 1 8 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.302 0.356 19124 838 1 8 . 1 1 4 4 ARG H H 4 8.524 8.524 7.946 0.578 19124 839 1 8 . 1 1 5 5 CYS N N 5 118.368 118.368 117.879 0.489 19124 840 1 8 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.158 0.517 19124 841 1 8 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.971 -6.234 19124 842 1 8 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.074 10.902 19124 843 1 8 . 1 1 5 5 CYS H H 5 8.465 8.465 8.730 -0.265 19124 844 1 8 . 1 1 6 6 GLU N N 6 121.562 121.562 118.872 2.690 19124 845 1 8 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.918 0.091 19124 846 1 8 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.789 -0.274 19124 847 1 8 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.178 -0.733 19124 848 1 8 . 1 1 6 6 GLU H H 6 8.501 8.501 8.542 -0.041 19124 849 1 8 . 1 1 7 7 ARG N N 7 117.167 117.167 119.195 -2.028 19124 850 1 8 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.046 0.085 19124 851 1 8 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.724 -2.546 19124 852 1 8 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.102 -0.638 19124 853 1 8 . 1 1 7 7 ARG H H 7 8.073 8.073 7.917 0.156 19124 854 1 8 . 1 1 8 8 MET N N 8 118.916 118.916 118.956 -0.040 19124 855 1 8 . 1 1 8 8 MET HA H 8 4.325 4.325 4.236 0.089 19124 856 1 8 . 1 1 8 8 MET CA C 8 57.991 57.991 58.456 -0.465 19124 857 1 8 . 1 1 8 8 MET CB C 8 32.167 32.167 32.404 -0.237 19124 858 1 8 . 1 1 8 8 MET H H 8 8.120 8.120 8.129 -0.009 19124 859 1 8 . 1 1 9 9 CYS N N 9 114.907 114.907 115.582 -0.675 19124 860 1 8 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.201 0.969 19124 861 1 8 . 1 1 9 9 CYS CA C 9 53.529 53.529 59.631 -6.102 19124 862 1 8 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.134 12.853 19124 863 1 8 . 1 1 9 9 CYS H H 9 8.136 8.136 8.507 -0.371 19124 864 1 8 . 1 1 10 10 GLN N N 10 120.125 120.125 121.524 -1.399 19124 865 1 8 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.783 0.334 19124 866 1 8 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.028 -0.494 19124 867 1 8 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.252 -0.751 19124 868 1 8 . 1 1 10 10 GLN H H 10 7.736 7.736 7.798 -0.062 19124 869 1 8 . 1 1 11 11 ARG N N 11 114.823 114.823 117.234 -2.411 19124 870 1 8 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.934 0.191 19124 871 1 8 . 1 1 11 11 ARG CA C 11 58.646 58.646 58.302 0.344 19124 872 1 8 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.581 -0.947 19124 873 1 8 . 1 1 11 11 ARG H H 11 7.679 7.679 7.291 0.388 19124 874 1 8 . 1 1 12 12 TYR N N 12 119.718 119.718 116.891 2.827 19124 875 1 8 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.381 0.193 19124 876 1 8 . 1 1 12 12 TYR CA C 12 57.663 57.663 59.215 -1.552 19124 877 1 8 . 1 1 12 12 TYR CB C 12 37.055 37.055 38.659 -1.604 19124 878 1 8 . 1 1 12 12 TYR H H 12 7.405 7.405 7.127 0.278 19124 879 1 8 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.165 0.713 19124 880 1 8 . 1 1 14 14 ASP N N 14 121.456 121.456 118.435 3.021 19124 881 1 8 . 1 1 14 14 ASP HA H 14 4.770 4.770 5.040 -0.270 19124 882 1 8 . 1 1 14 14 ASP CB C 14 42.593 42.593 43.175 -0.582 19124 883 1 8 . 1 1 14 14 ASP H H 14 8.501 8.501 8.182 0.319 19124 884 1 8 . 1 1 15 15 ARG N N 15 126.394 126.394 124.996 1.398 19124 885 1 8 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.963 0.051 19124 886 1 8 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.247 -0.017 19124 887 1 8 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.149 -0.513 19124 888 1 8 . 1 1 15 15 ARG H H 15 8.975 8.975 8.848 0.127 19124 889 1 8 . 1 1 16 16 ARG N N 16 120.362 120.362 119.820 0.542 19124 890 1 8 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.117 -0.015 19124 891 1 8 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.354 -0.334 19124 892 1 8 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.547 -0.655 19124 893 1 8 . 1 1 16 16 ARG H H 16 8.436 8.436 8.602 -0.166 19124 894 1 8 . 1 1 17 17 GLU N N 17 120.565 120.565 118.690 1.875 19124 895 1 8 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.938 -0.026 19124 896 1 8 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.833 -0.209 19124 897 1 8 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.629 0.605 19124 898 1 8 . 1 1 17 17 GLU H H 17 8.245 8.245 8.446 -0.201 19124 899 1 8 . 1 1 18 18 LYS N N 18 121.316 121.316 119.738 1.578 19124 900 1 8 . 1 1 18 18 LYS HA H 18 3.896 3.896 4.014 -0.118 19124 901 1 8 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.195 1.017 19124 902 1 8 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.211 -0.764 19124 903 1 8 . 1 1 18 18 LYS H H 18 8.768 8.768 8.132 0.636 19124 904 1 8 . 1 1 19 19 LYS N N 19 119.130 119.130 119.683 -0.553 19124 905 1 8 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.932 0.101 19124 906 1 8 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.766 -0.187 19124 907 1 8 . 1 1 19 19 LYS H H 19 8.070 8.070 7.623 0.447 19124 908 1 8 . 1 1 20 20 GLN N N 20 118.825 118.825 118.154 0.671 19124 909 1 8 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.048 0.030 19124 910 1 8 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.580 -0.480 19124 911 1 8 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.071 -0.494 19124 912 1 8 . 1 1 20 20 GLN H H 20 7.893 7.893 8.251 -0.358 19124 913 1 8 . 1 1 21 21 CYS N N 21 120.856 120.856 120.369 0.487 19124 914 1 8 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.163 0.069 19124 915 1 8 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.410 -3.393 19124 916 1 8 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.191 10.550 19124 917 1 8 . 1 1 21 21 CYS H H 21 7.992 7.992 7.540 0.452 19124 918 1 8 . 1 1 22 22 MET N N 22 121.200 121.200 119.849 1.351 19124 919 1 8 . 1 1 22 22 MET HA H 22 4.290 4.290 4.098 0.192 19124 920 1 8 . 1 1 22 22 MET CA C 22 56.986 56.986 58.456 -1.470 19124 921 1 8 . 1 1 22 22 MET CB C 22 30.725 30.725 31.798 -1.073 19124 922 1 8 . 1 1 22 22 MET H H 22 8.673 8.673 8.402 0.271 19124 923 1 8 . 1 1 23 23 LYS N N 23 120.853 120.853 118.013 2.840 19124 924 1 8 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.160 0.030 19124 925 1 8 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.135 -0.390 19124 926 1 8 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.289 -0.569 19124 927 1 8 . 1 1 23 23 LYS H H 23 8.128 8.128 8.188 -0.060 19124 928 1 8 . 1 1 24 24 GLY N N 24 104.975 104.975 107.520 -2.545 19124 929 1 8 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.910 -1.469 19124 930 1 8 . 1 1 24 24 GLY H H 24 7.895 7.895 8.236 -0.341 19124 931 1 8 . 1 1 25 25 CYS N N 25 119.579 119.579 118.387 1.192 19124 932 1 8 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.488 0.000 19124 933 1 8 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.379 -1.899 19124 934 1 8 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.336 15.099 19124 935 1 8 . 1 1 25 25 CYS H H 25 7.862 7.862 7.907 -0.045 19124 936 1 8 . 1 1 26 26 ARG N N 26 121.480 121.480 119.254 2.226 19124 937 1 8 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.302 -0.012 19124 938 1 8 . 1 1 26 26 ARG CA C 26 56.637 56.637 56.306 0.331 19124 939 1 8 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.286 -0.157 19124 940 1 8 . 1 1 26 26 ARG H H 26 8.298 8.298 7.559 0.739 19124 941 1 8 . 1 1 27 27 TYR N N 27 119.050 119.050 120.647 -1.597 19124 942 1 8 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.497 0.252 19124 943 1 8 . 1 1 27 27 TYR CB C 27 38.326 38.326 36.810 1.516 19124 944 1 8 . 1 1 27 27 TYR H H 27 8.016 8.016 7.686 0.330 19124 945 1 9 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.772 -0.016 19124 946 1 9 . 1 1 2 2 ASP CB C 2 40.936 40.936 42.022 -1.086 19124 947 1 9 . 1 1 3 3 ASP N N 3 123.145 123.145 119.686 3.459 19124 948 1 9 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.435 0.291 19124 949 1 9 . 1 1 3 3 ASP CA C 3 53.812 53.812 55.952 -2.140 19124 950 1 9 . 1 1 3 3 ASP CB C 3 40.848 40.848 40.952 -0.103 19124 951 1 9 . 1 1 3 3 ASP H H 3 8.502 8.502 8.642 -0.140 19124 952 1 9 . 1 1 4 4 ARG N N 4 121.446 121.446 119.643 1.803 19124 953 1 9 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.066 -0.023 19124 954 1 9 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.147 -0.202 19124 955 1 9 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.390 0.268 19124 956 1 9 . 1 1 4 4 ARG H H 4 8.524 8.524 8.061 0.463 19124 957 1 9 . 1 1 5 5 CYS N N 5 118.368 118.368 118.129 0.239 19124 958 1 9 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.479 0.196 19124 959 1 9 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.624 -4.887 19124 960 1 9 . 1 1 5 5 CYS CB C 5 36.976 36.976 25.983 10.992 19124 961 1 9 . 1 1 5 5 CYS H H 5 8.465 8.465 7.956 0.509 19124 962 1 9 . 1 1 6 6 GLU N N 6 121.562 121.562 120.109 1.453 19124 963 1 9 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.939 0.070 19124 964 1 9 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.702 -0.187 19124 965 1 9 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.359 -0.914 19124 966 1 9 . 1 1 6 6 GLU H H 6 8.501 8.501 7.750 0.751 19124 967 1 9 . 1 1 7 7 ARG N N 7 117.167 117.167 119.230 -2.063 19124 968 1 9 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.077 0.054 19124 969 1 9 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.715 -2.537 19124 970 1 9 . 1 1 7 7 ARG CB C 7 29.463 29.463 29.990 -0.527 19124 971 1 9 . 1 1 7 7 ARG H H 7 8.073 8.073 8.028 0.045 19124 972 1 9 . 1 1 8 8 MET N N 8 118.916 118.916 117.333 1.583 19124 973 1 9 . 1 1 8 8 MET HA H 8 4.325 4.325 4.338 -0.013 19124 974 1 9 . 1 1 8 8 MET CA C 8 57.991 57.991 58.582 -0.591 19124 975 1 9 . 1 1 8 8 MET CB C 8 32.167 32.167 32.650 -0.483 19124 976 1 9 . 1 1 8 8 MET H H 8 8.120 8.120 7.711 0.409 19124 977 1 9 . 1 1 9 9 CYS N N 9 114.907 114.907 117.482 -2.575 19124 978 1 9 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.724 0.446 19124 979 1 9 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.493 -4.964 19124 980 1 9 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.380 12.607 19124 981 1 9 . 1 1 9 9 CYS H H 9 8.136 8.136 7.880 0.256 19124 982 1 9 . 1 1 10 10 GLN N N 10 120.125 120.125 122.634 -2.509 19124 983 1 9 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.026 0.091 19124 984 1 9 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.579 -1.045 19124 985 1 9 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.195 -0.695 19124 986 1 9 . 1 1 10 10 GLN H H 10 7.736 7.736 7.859 -0.123 19124 987 1 9 . 1 1 11 11 ARG N N 11 114.823 114.823 117.111 -2.288 19124 988 1 9 . 1 1 11 11 ARG HA H 11 4.125 4.125 4.005 0.120 19124 989 1 9 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.821 0.825 19124 990 1 9 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.805 -1.171 19124 991 1 9 . 1 1 11 11 ARG H H 11 7.679 7.679 7.804 -0.125 19124 992 1 9 . 1 1 12 12 TYR N N 12 119.718 119.718 120.049 -0.331 19124 993 1 9 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.642 -0.068 19124 994 1 9 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.228 1.435 19124 995 1 9 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.455 -0.400 19124 996 1 9 . 1 1 12 12 TYR H H 12 7.405 7.405 7.838 -0.433 19124 997 1 9 . 1 1 13 13 HIS CB C 13 28.878 28.878 28.317 0.561 19124 998 1 9 . 1 1 14 14 ASP N N 14 121.456 121.456 120.105 1.351 19124 999 1 9 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.726 0.044 19124 1000 1 9 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.587 0.006 19124 1001 1 9 . 1 1 14 14 ASP H H 14 8.501 8.501 8.074 0.427 19124 1002 1 9 . 1 1 15 15 ARG N N 15 126.394 126.394 124.760 1.634 19124 1003 1 9 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.998 0.016 19124 1004 1 9 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.069 0.161 19124 1005 1 9 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.238 -0.602 19124 1006 1 9 . 1 1 15 15 ARG H H 15 8.975 8.975 8.767 0.208 19124 1007 1 9 . 1 1 16 16 ARG N N 16 120.362 120.362 119.584 0.778 19124 1008 1 9 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.080 0.022 19124 1009 1 9 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.343 -0.323 19124 1010 1 9 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.439 -0.547 19124 1011 1 9 . 1 1 16 16 ARG H H 16 8.436 8.436 7.969 0.467 19124 1012 1 9 . 1 1 17 17 GLU N N 17 120.565 120.565 118.760 1.805 19124 1013 1 9 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.976 -0.064 19124 1014 1 9 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.767 -0.143 19124 1015 1 9 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.586 0.648 19124 1016 1 9 . 1 1 17 17 GLU H H 17 8.245 8.245 8.539 -0.294 19124 1017 1 9 . 1 1 18 18 LYS N N 18 121.316 121.316 119.985 1.331 19124 1018 1 9 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.927 -0.031 19124 1019 1 9 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.351 0.861 19124 1020 1 9 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.296 -0.849 19124 1021 1 9 . 1 1 18 18 LYS H H 18 8.768 8.768 7.929 0.839 19124 1022 1 9 . 1 1 19 19 LYS N N 19 119.130 119.130 119.498 -0.368 19124 1023 1 9 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.845 0.188 19124 1024 1 9 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.941 -0.362 19124 1025 1 9 . 1 1 19 19 LYS H H 19 8.070 8.070 7.611 0.459 19124 1026 1 9 . 1 1 20 20 GLN N N 20 118.825 118.825 117.955 0.870 19124 1027 1 9 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.022 0.056 19124 1028 1 9 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.725 -0.625 19124 1029 1 9 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.174 -0.597 19124 1030 1 9 . 1 1 20 20 GLN H H 20 7.893 7.893 8.111 -0.218 19124 1031 1 9 . 1 1 21 21 CYS N N 21 120.856 120.856 119.706 1.150 19124 1032 1 9 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.134 0.098 19124 1033 1 9 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.185 -3.168 19124 1034 1 9 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.178 10.563 19124 1035 1 9 . 1 1 21 21 CYS H H 21 7.992 7.992 7.484 0.508 19124 1036 1 9 . 1 1 22 22 MET N N 22 121.200 121.200 119.419 1.781 19124 1037 1 9 . 1 1 22 22 MET HA H 22 4.290 4.290 4.103 0.187 19124 1038 1 9 . 1 1 22 22 MET CA C 22 56.986 56.986 58.448 -1.462 19124 1039 1 9 . 1 1 22 22 MET CB C 22 30.725 30.725 31.817 -1.092 19124 1040 1 9 . 1 1 22 22 MET H H 22 8.673 8.673 8.333 0.340 19124 1041 1 9 . 1 1 23 23 LYS N N 23 120.853 120.853 118.047 2.806 19124 1042 1 9 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.119 0.071 19124 1043 1 9 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.298 -0.553 19124 1044 1 9 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.367 -0.647 19124 1045 1 9 . 1 1 23 23 LYS H H 23 8.128 8.128 8.054 0.074 19124 1046 1 9 . 1 1 24 24 GLY N N 24 104.975 104.975 106.615 -1.640 19124 1047 1 9 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.700 -1.259 19124 1048 1 9 . 1 1 24 24 GLY H H 24 7.895 7.895 8.087 -0.192 19124 1049 1 9 . 1 1 25 25 CYS N N 25 119.579 119.579 118.801 0.778 19124 1050 1 9 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.418 0.070 19124 1051 1 9 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.412 -1.932 19124 1052 1 9 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.600 14.835 19124 1053 1 9 . 1 1 25 25 CYS H H 25 7.862 7.862 7.875 -0.013 19124 1054 1 9 . 1 1 26 26 ARG N N 26 121.480 121.480 119.242 2.238 19124 1055 1 9 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.279 0.011 19124 1056 1 9 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.212 -0.574 19124 1057 1 9 . 1 1 26 26 ARG CB C 26 30.129 30.129 29.966 0.163 19124 1058 1 9 . 1 1 26 26 ARG H H 26 8.298 8.298 7.557 0.741 19124 1059 1 9 . 1 1 27 27 TYR N N 27 119.050 119.050 118.579 0.471 19124 1060 1 9 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.373 0.376 19124 1061 1 9 . 1 1 27 27 TYR CB C 27 38.326 38.326 39.003 -0.677 19124 1062 1 9 . 1 1 27 27 TYR H H 27 8.016 8.016 7.854 0.162 19124 1063 1 10 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.835 -0.079 19124 1064 1 10 . 1 1 2 2 ASP CB C 2 40.936 40.936 41.589 -0.653 19124 1065 1 10 . 1 1 3 3 ASP N N 3 123.145 123.145 119.556 3.589 19124 1066 1 10 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.592 0.134 19124 1067 1 10 . 1 1 3 3 ASP CA C 3 53.812 53.812 53.855 -0.043 19124 1068 1 10 . 1 1 3 3 ASP CB C 3 40.848 40.848 42.026 -1.177 19124 1069 1 10 . 1 1 3 3 ASP H H 3 8.502 8.502 8.283 0.219 19124 1070 1 10 . 1 1 4 4 ARG N N 4 121.446 121.446 121.558 -0.112 19124 1071 1 10 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.226 -0.183 19124 1072 1 10 . 1 1 4 4 ARG CA C 4 58.945 58.945 58.730 0.215 19124 1073 1 10 . 1 1 4 4 ARG CB C 4 29.658 29.658 30.288 -0.630 19124 1074 1 10 . 1 1 4 4 ARG H H 4 8.524 8.524 8.688 -0.164 19124 1075 1 10 . 1 1 5 5 CYS N N 5 118.368 118.368 117.600 0.768 19124 1076 1 10 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.395 0.280 19124 1077 1 10 . 1 1 5 5 CYS CA C 5 56.737 56.737 61.078 -4.341 19124 1078 1 10 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.810 10.166 19124 1079 1 10 . 1 1 5 5 CYS H H 5 8.465 8.465 8.495 -0.030 19124 1080 1 10 . 1 1 6 6 GLU N N 6 121.562 121.562 118.849 2.713 19124 1081 1 10 . 1 1 6 6 GLU HA H 6 4.009 4.009 4.020 -0.011 19124 1082 1 10 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.676 -0.161 19124 1083 1 10 . 1 1 6 6 GLU CB C 6 28.445 28.445 28.966 -0.521 19124 1084 1 10 . 1 1 6 6 GLU H H 6 8.501 8.501 8.381 0.120 19124 1085 1 10 . 1 1 7 7 ARG N N 7 117.167 117.167 119.036 -1.869 19124 1086 1 10 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.106 0.025 19124 1087 1 10 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.765 -2.587 19124 1088 1 10 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.285 -0.822 19124 1089 1 10 . 1 1 7 7 ARG H H 7 8.073 8.073 7.769 0.304 19124 1090 1 10 . 1 1 8 8 MET N N 8 118.916 118.916 117.338 1.578 19124 1091 1 10 . 1 1 8 8 MET HA H 8 4.325 4.325 4.260 0.065 19124 1092 1 10 . 1 1 8 8 MET CA C 8 57.991 57.991 58.789 -0.798 19124 1093 1 10 . 1 1 8 8 MET CB C 8 32.167 32.167 32.720 -0.553 19124 1094 1 10 . 1 1 8 8 MET H H 8 8.120 8.120 7.684 0.436 19124 1095 1 10 . 1 1 9 9 CYS N N 9 114.907 114.907 117.227 -2.320 19124 1096 1 10 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.687 0.483 19124 1097 1 10 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.221 -4.692 19124 1098 1 10 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.120 12.867 19124 1099 1 10 . 1 1 9 9 CYS H H 9 8.136 8.136 8.000 0.136 19124 1100 1 10 . 1 1 10 10 GLN N N 10 120.125 120.125 122.060 -1.935 19124 1101 1 10 . 1 1 10 10 GLN HA H 10 4.117 4.117 4.028 0.089 19124 1102 1 10 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.638 -1.104 19124 1103 1 10 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.547 -1.046 19124 1104 1 10 . 1 1 10 10 GLN H H 10 7.736 7.736 7.683 0.053 19124 1105 1 10 . 1 1 11 11 ARG N N 11 114.823 114.823 116.804 -1.981 19124 1106 1 10 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.999 0.126 19124 1107 1 10 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.741 0.905 19124 1108 1 10 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.688 -1.054 19124 1109 1 10 . 1 1 11 11 ARG H H 11 7.679 7.679 7.961 -0.282 19124 1110 1 10 . 1 1 12 12 TYR N N 12 119.718 119.718 119.817 -0.099 19124 1111 1 10 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.492 0.082 19124 1112 1 10 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.485 1.178 19124 1113 1 10 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.695 -0.640 19124 1114 1 10 . 1 1 12 12 TYR H H 12 7.405 7.405 7.421 -0.016 19124 1115 1 10 . 1 1 13 13 HIS CB C 13 28.878 28.878 29.698 -0.820 19124 1116 1 10 . 1 1 14 14 ASP N N 14 121.456 121.456 119.909 1.547 19124 1117 1 10 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.923 -0.153 19124 1118 1 10 . 1 1 14 14 ASP CB C 14 42.593 42.593 44.046 -1.453 19124 1119 1 10 . 1 1 14 14 ASP H H 14 8.501 8.501 7.833 0.668 19124 1120 1 10 . 1 1 15 15 ARG N N 15 126.394 126.394 124.525 1.869 19124 1121 1 10 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.913 0.101 19124 1122 1 10 . 1 1 15 15 ARG CA C 15 59.230 59.230 59.241 -0.011 19124 1123 1 10 . 1 1 15 15 ARG CB C 15 29.636 29.636 29.952 -0.316 19124 1124 1 10 . 1 1 15 15 ARG H H 15 8.975 8.975 8.774 0.201 19124 1125 1 10 . 1 1 16 16 ARG N N 16 120.362 120.362 119.976 0.386 19124 1126 1 10 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.100 0.002 19124 1127 1 10 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.326 -0.306 19124 1128 1 10 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.534 -0.642 19124 1129 1 10 . 1 1 16 16 ARG H H 16 8.436 8.436 8.585 -0.149 19124 1130 1 10 . 1 1 17 17 GLU N N 17 120.565 120.565 119.500 1.065 19124 1131 1 10 . 1 1 17 17 GLU HA H 17 3.912 3.912 4.094 -0.182 19124 1132 1 10 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.980 -0.356 19124 1133 1 10 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.885 0.349 19124 1134 1 10 . 1 1 17 17 GLU H H 17 8.245 8.245 8.519 -0.274 19124 1135 1 10 . 1 1 18 18 LYS N N 18 121.316 121.316 119.602 1.714 19124 1136 1 10 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.915 -0.019 19124 1137 1 10 . 1 1 18 18 LYS CA C 18 60.212 60.212 59.339 0.873 19124 1138 1 10 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.216 -0.769 19124 1139 1 10 . 1 1 18 18 LYS H H 18 8.768 8.768 7.854 0.914 19124 1140 1 10 . 1 1 19 19 LYS N N 19 119.130 119.130 119.080 0.050 19124 1141 1 10 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.885 0.148 19124 1142 1 10 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.756 -0.177 19124 1143 1 10 . 1 1 19 19 LYS H H 19 8.070 8.070 7.740 0.330 19124 1144 1 10 . 1 1 20 20 GLN N N 20 118.825 118.825 118.355 0.470 19124 1145 1 10 . 1 1 20 20 GLN HA H 20 4.078 4.078 3.997 0.081 19124 1146 1 10 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.604 -0.504 19124 1147 1 10 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.282 -0.705 19124 1148 1 10 . 1 1 20 20 GLN H H 20 7.893 7.893 8.312 -0.419 19124 1149 1 10 . 1 1 21 21 CYS N N 21 120.856 120.856 119.412 1.444 19124 1150 1 10 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.117 0.115 19124 1151 1 10 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.505 -3.488 19124 1152 1 10 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.171 10.570 19124 1153 1 10 . 1 1 21 21 CYS H H 21 7.992 7.992 7.471 0.521 19124 1154 1 10 . 1 1 22 22 MET N N 22 121.200 121.200 119.718 1.482 19124 1155 1 10 . 1 1 22 22 MET HA H 22 4.290 4.290 4.043 0.247 19124 1156 1 10 . 1 1 22 22 MET CA C 22 56.986 56.986 58.566 -1.580 19124 1157 1 10 . 1 1 22 22 MET CB C 22 30.725 30.725 31.848 -1.123 19124 1158 1 10 . 1 1 22 22 MET H H 22 8.673 8.673 8.421 0.252 19124 1159 1 10 . 1 1 23 23 LYS N N 23 120.853 120.853 118.354 2.499 19124 1160 1 10 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.067 0.123 19124 1161 1 10 . 1 1 23 23 LYS CA C 23 58.745 58.745 59.264 -0.519 19124 1162 1 10 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.335 -0.615 19124 1163 1 10 . 1 1 23 23 LYS H H 23 8.128 8.128 8.128 -0.000 19124 1164 1 10 . 1 1 24 24 GLY N N 24 104.975 104.975 106.741 -1.766 19124 1165 1 10 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.533 -1.092 19124 1166 1 10 . 1 1 24 24 GLY H H 24 7.895 7.895 7.986 -0.091 19124 1167 1 10 . 1 1 25 25 CYS N N 25 119.579 119.579 118.578 1.001 19124 1168 1 10 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.463 0.025 19124 1169 1 10 . 1 1 25 25 CYS CA C 25 56.480 56.480 59.205 -2.725 19124 1170 1 10 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.402 15.033 19124 1171 1 10 . 1 1 25 25 CYS H H 25 7.862 7.862 8.188 -0.326 19124 1172 1 10 . 1 1 26 26 ARG N N 26 121.480 121.480 119.083 2.397 19124 1173 1 10 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.317 -0.027 19124 1174 1 10 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.379 -0.742 19124 1175 1 10 . 1 1 26 26 ARG CB C 26 30.129 30.129 29.818 0.311 19124 1176 1 10 . 1 1 26 26 ARG H H 26 8.298 8.298 8.068 0.230 19124 1177 1 10 . 1 1 27 27 TYR N N 27 119.050 119.050 118.919 0.131 19124 1178 1 10 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.366 0.383 19124 1179 1 10 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.463 -0.137 19124 1180 1 10 . 1 1 27 27 TYR H H 27 8.016 8.016 7.776 0.240 19124 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Entity_delta_chem_shifts_ID _SPARTA_output.Conformer_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Data_low_range _SPARTA_output.Data_high_range _SPARTA_output.Entry_ID 1 1 1 "Average Difference" N 24 1.786 -0.615 1.713 19124 2 1 1 "Average Difference" HA 26 0.191 -0.109 0.160 19124 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19124 4 1 1 "Average Difference" CA 21 2.032 1.085 1.761 19124 5 1 1 "Average Difference" CB 25 5.049 -1.598 4.888 19124 6 1 1 "Average Difference" HN 24 0.344 -0.148 0.317 19124 7 1 2 "Average Difference" N 24 1.878 -0.345 1.886 19124 8 1 2 "Average Difference" HA 26 0.195 -0.072 0.185 19124 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19124 10 1 2 "Average Difference" CA 21 2.133 0.924 1.969 19124 11 1 2 "Average Difference" CB 25 5.048 -1.746 4.834 19124 12 1 2 "Average Difference" HN 24 0.370 -0.153 0.345 19124 13 1 3 "Average Difference" N 24 1.644 -0.473 1.609 19124 14 1 3 "Average Difference" HA 26 0.181 -0.074 0.168 19124 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19124 16 1 3 "Average Difference" CA 21 1.900 0.983 1.666 19124 17 1 3 "Average Difference" CB 25 5.014 -1.569 4.860 19124 18 1 3 "Average Difference" HN 24 0.398 -0.198 0.353 19124 19 1 4 "Average Difference" N 24 2.059 -0.987 1.846 19124 20 1 4 "Average Difference" HA 26 0.196 -0.084 0.181 19124 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19124 22 1 4 "Average Difference" CA 21 2.041 0.955 1.848 19124 23 1 4 "Average Difference" CB 25 5.044 -1.586 4.887 19124 24 1 4 "Average Difference" HN 24 0.335 -0.157 0.302 19124 25 1 5 "Average Difference" N 24 1.717 -0.657 1.620 19124 26 1 5 "Average Difference" HA 26 0.214 -0.111 0.186 19124 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19124 28 1 5 "Average Difference" CA 21 2.059 1.083 1.794 19124 29 1 5 "Average Difference" CB 25 5.056 -1.648 4.878 19124 30 1 5 "Average Difference" HN 24 0.388 -0.161 0.360 19124 31 1 6 "Average Difference" N 24 1.705 -0.673 1.600 19124 32 1 6 "Average Difference" HA 26 0.204 -0.106 0.178 19124 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19124 34 1 6 "Average Difference" CA 21 1.979 0.980 1.762 19124 35 1 6 "Average Difference" CB 25 5.012 -1.470 4.891 19124 36 1 6 "Average Difference" HN 24 0.357 -0.188 0.311 19124 37 1 7 "Average Difference" N 24 1.720 -0.491 1.684 19124 38 1 7 "Average Difference" HA 26 0.199 -0.090 0.181 19124 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19124 40 1 7 "Average Difference" CA 21 2.392 1.157 2.145 19124 41 1 7 "Average Difference" CB 25 5.012 -1.551 4.864 19124 42 1 7 "Average Difference" HN 24 0.366 -0.133 0.348 19124 43 1 8 "Average Difference" N 24 1.740 -0.530 1.693 19124 44 1 8 "Average Difference" HA 26 0.262 -0.128 0.233 19124 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19124 46 1 8 "Average Difference" CA 21 2.271 1.146 2.009 19124 47 1 8 "Average Difference" CB 25 5.050 -1.787 4.820 19124 48 1 8 "Average Difference" HN 24 0.349 -0.133 0.330 19124 49 1 9 "Average Difference" N 24 1.760 -0.573 1.700 19124 50 1 9 "Average Difference" HA 26 0.158 -0.093 0.131 19124 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19124 52 1 9 "Average Difference" CA 21 1.990 1.110 1.693 19124 53 1 9 "Average Difference" CB 25 4.983 -1.596 4.818 19124 54 1 9 "Average Difference" HN 24 0.408 -0.213 0.355 19124 55 1 10 "Average Difference" N 24 1.715 -0.609 1.638 19124 56 1 10 "Average Difference" HA 26 0.172 -0.074 0.158 19124 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19124 58 1 10 "Average Difference" CA 21 1.915 1.042 1.647 19124 59 1 10 "Average Difference" CB 25 4.976 -1.418 4.868 19124 60 1 10 "Average Difference" HN 24 0.338 -0.120 0.323 19124 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 19124 _Entity_delta_chem_shifts.ID 2 _Entity_delta_chem_shifts.Details ; This saveframe contains the averaged SPARTA chemical shift over all the models used. ; loop_ _Delta_CS.Atom_chem_shift_ID _Delta_CS.Entity_delta_chem_shifts_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.Comp_index_ID _Delta_CS.Seq_ID _Delta_CS.Comp_ID _Delta_CS.Atom_ID _Delta_CS.Atom_type _Delta_CS.Auth_seq_ID _Delta_CS.Original_CS_value _Delta_CS.Corrected_CS_value _Delta_CS.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entry_ID 1 1 . 1 1 2 2 ASP HA H 2 4.756 4.756 4.686 0.070 19124 2 1 . 1 1 2 2 ASP CB C 2 40.936 40.936 41.764 -0.828 19124 3 1 . 1 1 3 3 ASP N N 3 123.145 123.145 120.820 2.325 19124 4 1 . 1 1 3 3 ASP HA H 3 4.726 4.726 4.611 0.115 19124 5 1 . 1 1 3 3 ASP CA C 3 53.812 53.812 54.531 -0.719 19124 6 1 . 1 1 3 3 ASP CB C 3 40.848 40.848 40.603 0.246 19124 7 1 . 1 1 3 3 ASP H H 3 8.502 8.502 8.510 -0.008 19124 8 1 . 1 1 4 4 ARG N N 4 121.446 121.446 120.735 0.711 19124 9 1 . 1 1 4 4 ARG HA H 4 4.043 4.043 4.100 -0.057 19124 10 1 . 1 1 4 4 ARG CA C 4 58.945 58.945 59.085 -0.140 19124 11 1 . 1 1 4 4 ARG CB C 4 29.658 29.658 29.831 -0.173 19124 12 1 . 1 1 4 4 ARG H H 4 8.524 8.524 8.240 0.284 19124 13 1 . 1 1 5 5 CYS N N 5 118.368 118.368 117.773 0.595 19124 14 1 . 1 1 5 5 CYS HA H 5 4.675 4.675 4.298 0.377 19124 15 1 . 1 1 5 5 CYS CA C 5 56.737 56.737 62.020 -5.283 19124 16 1 . 1 1 5 5 CYS CB C 5 36.976 36.976 26.067 10.909 19124 17 1 . 1 1 5 5 CYS H H 5 8.465 8.465 8.403 0.062 19124 18 1 . 1 1 6 6 GLU N N 6 121.562 121.562 119.270 2.292 19124 19 1 . 1 1 6 6 GLU HA H 6 4.009 4.009 3.949 0.059 19124 20 1 . 1 1 6 6 GLU CA C 6 59.515 59.515 59.554 -0.039 19124 21 1 . 1 1 6 6 GLU CB C 6 28.445 28.445 29.193 -0.747 19124 22 1 . 1 1 6 6 GLU H H 6 8.501 8.501 8.205 0.296 19124 23 1 . 1 1 7 7 ARG N N 7 117.167 117.167 118.312 -1.145 19124 24 1 . 1 1 7 7 ARG HA H 7 4.131 4.131 4.059 0.072 19124 25 1 . 1 1 7 7 ARG CA C 7 56.178 56.178 58.683 -2.505 19124 26 1 . 1 1 7 7 ARG CB C 7 29.463 29.463 30.178 -0.715 19124 27 1 . 1 1 7 7 ARG H H 7 8.073 8.073 7.870 0.203 19124 28 1 . 1 1 8 8 MET N N 8 118.916 118.916 118.165 0.751 19124 29 1 . 1 1 8 8 MET HA H 8 4.325 4.325 4.269 0.056 19124 30 1 . 1 1 8 8 MET CA C 8 57.991 57.991 58.705 -0.714 19124 31 1 . 1 1 8 8 MET CB C 8 32.167 32.167 32.645 -0.478 19124 32 1 . 1 1 8 8 MET H H 8 8.120 8.120 7.772 0.348 19124 33 1 . 1 1 9 9 CYS N N 9 114.907 114.907 116.625 -1.718 19124 34 1 . 1 1 9 9 CYS HA H 9 5.170 5.170 4.556 0.614 19124 35 1 . 1 1 9 9 CYS CA C 9 53.529 53.529 58.818 -5.289 19124 36 1 . 1 1 9 9 CYS CB C 9 37.987 37.987 25.239 12.748 19124 37 1 . 1 1 9 9 CYS H H 9 8.136 8.136 8.214 -0.078 19124 38 1 . 1 1 10 10 GLN N N 10 120.125 120.125 121.847 -1.722 19124 39 1 . 1 1 10 10 GLN HA H 10 4.117 4.117 3.990 0.127 19124 40 1 . 1 1 10 10 GLN CA C 10 57.534 57.534 58.509 -0.975 19124 41 1 . 1 1 10 10 GLN CB C 10 27.501 27.501 28.352 -0.851 19124 42 1 . 1 1 10 10 GLN H H 10 7.736 7.736 7.828 -0.091 19124 43 1 . 1 1 11 11 ARG N N 11 114.823 114.823 117.177 -2.354 19124 44 1 . 1 1 11 11 ARG HA H 11 4.125 4.125 3.971 0.154 19124 45 1 . 1 1 11 11 ARG CA C 11 58.646 58.646 57.842 0.804 19124 46 1 . 1 1 11 11 ARG CB C 11 28.634 28.634 29.696 -1.062 19124 47 1 . 1 1 11 11 ARG H H 11 7.679 7.679 7.714 -0.035 19124 48 1 . 1 1 12 12 TYR N N 12 119.718 119.718 119.092 0.626 19124 49 1 . 1 1 12 12 TYR HA H 12 4.574 4.574 4.599 -0.025 19124 50 1 . 1 1 12 12 TYR CA C 12 57.663 57.663 56.903 0.760 19124 51 1 . 1 1 12 12 TYR CB C 12 37.055 37.055 37.373 -0.318 19124 52 1 . 1 1 12 12 TYR H H 12 7.405 7.405 7.453 -0.048 19124 53 1 . 1 1 13 13 HIS CB C 13 28.878 28.878 29.133 -0.255 19124 54 1 . 1 1 14 14 ASP N N 14 121.456 121.456 119.875 1.581 19124 55 1 . 1 1 14 14 ASP HA H 14 4.770 4.770 4.803 -0.033 19124 56 1 . 1 1 14 14 ASP CB C 14 42.593 42.593 42.956 -0.363 19124 57 1 . 1 1 14 14 ASP H H 14 8.501 8.501 8.080 0.421 19124 58 1 . 1 1 15 15 ARG N N 15 126.394 126.394 124.397 1.997 19124 59 1 . 1 1 15 15 ARG HA H 15 4.014 4.014 3.970 0.044 19124 60 1 . 1 1 15 15 ARG CA C 15 59.230 59.230 58.941 0.289 19124 61 1 . 1 1 15 15 ARG CB C 15 29.636 29.636 30.126 -0.490 19124 62 1 . 1 1 15 15 ARG H H 15 8.975 8.975 8.780 0.196 19124 63 1 . 1 1 16 16 ARG N N 16 120.362 120.362 119.578 0.784 19124 64 1 . 1 1 16 16 ARG HA H 16 4.102 4.102 4.097 0.005 19124 65 1 . 1 1 16 16 ARG CA C 16 59.020 59.020 59.309 -0.289 19124 66 1 . 1 1 16 16 ARG CB C 16 28.892 28.892 29.588 -0.696 19124 67 1 . 1 1 16 16 ARG H H 16 8.436 8.436 8.229 0.207 19124 68 1 . 1 1 17 17 GLU N N 17 120.565 120.565 119.187 1.378 19124 69 1 . 1 1 17 17 GLU HA H 17 3.912 3.912 3.992 -0.079 19124 70 1 . 1 1 17 17 GLU CA C 17 58.624 58.624 58.864 -0.239 19124 71 1 . 1 1 17 17 GLU CB C 17 29.234 29.234 28.742 0.492 19124 72 1 . 1 1 17 17 GLU H H 17 8.245 8.245 8.508 -0.262 19124 73 1 . 1 1 18 18 LYS N N 18 121.316 121.316 119.637 1.679 19124 74 1 . 1 1 18 18 LYS HA H 18 3.896 3.896 3.958 -0.062 19124 75 1 . 1 1 18 18 LYS CA C 18 60.212 60.212 58.989 1.224 19124 76 1 . 1 1 18 18 LYS CB C 18 31.447 31.447 32.156 -0.709 19124 77 1 . 1 1 18 18 LYS H H 18 8.768 8.768 7.908 0.860 19124 78 1 . 1 1 19 19 LYS N N 19 119.130 119.130 119.402 -0.272 19124 79 1 . 1 1 19 19 LYS HA H 19 4.033 4.033 3.894 0.139 19124 80 1 . 1 1 19 19 LYS CB C 19 31.579 31.579 31.719 -0.140 19124 81 1 . 1 1 19 19 LYS H H 19 8.070 8.070 7.739 0.331 19124 82 1 . 1 1 20 20 GLN N N 20 118.825 118.825 118.383 0.442 19124 83 1 . 1 1 20 20 GLN HA H 20 4.078 4.078 4.037 0.041 19124 84 1 . 1 1 20 20 GLN CA C 20 58.100 58.100 58.641 -0.541 19124 85 1 . 1 1 20 20 GLN CB C 20 27.577 27.577 28.044 -0.466 19124 86 1 . 1 1 20 20 GLN H H 20 7.893 7.893 8.208 -0.315 19124 87 1 . 1 1 21 21 CYS N N 21 120.856 120.856 119.650 1.206 19124 88 1 . 1 1 21 21 CYS HA H 21 4.232 4.232 4.128 0.104 19124 89 1 . 1 1 21 21 CYS CA C 21 59.017 59.017 62.248 -3.231 19124 90 1 . 1 1 21 21 CYS CB C 21 36.741 36.741 26.157 10.584 19124 91 1 . 1 1 21 21 CYS H H 21 7.992 7.992 7.442 0.550 19124 92 1 . 1 1 22 22 MET N N 22 121.200 121.200 119.562 1.638 19124 93 1 . 1 1 22 22 MET HA H 22 4.290 4.290 4.082 0.208 19124 94 1 . 1 1 22 22 MET CA C 22 56.986 56.986 58.366 -1.380 19124 95 1 . 1 1 22 22 MET CB C 22 30.725 30.725 31.774 -1.049 19124 96 1 . 1 1 22 22 MET H H 22 8.673 8.673 8.400 0.273 19124 97 1 . 1 1 23 23 LYS N N 23 120.853 120.853 117.616 3.237 19124 98 1 . 1 1 23 23 LYS HA H 23 4.190 4.190 4.166 0.024 19124 99 1 . 1 1 23 23 LYS CA C 23 58.745 58.745 58.893 -0.148 19124 100 1 . 1 1 23 23 LYS CB C 23 31.720 31.720 32.367 -0.647 19124 101 1 . 1 1 23 23 LYS H H 23 8.128 8.128 8.136 -0.008 19124 102 1 . 1 1 24 24 GLY N N 24 104.975 104.975 107.149 -2.174 19124 103 1 . 1 1 24 24 GLY CA C 24 45.441 45.441 46.719 -1.278 19124 104 1 . 1 1 24 24 GLY H H 24 7.895 7.895 8.029 -0.134 19124 105 1 . 1 1 25 25 CYS N N 25 119.579 119.579 119.192 0.386 19124 106 1 . 1 1 25 25 CYS HA H 25 4.488 4.488 4.589 -0.102 19124 107 1 . 1 1 25 25 CYS CA C 25 56.480 56.480 58.332 -1.852 19124 108 1 . 1 1 25 25 CYS CB C 25 40.435 40.435 25.433 15.002 19124 109 1 . 1 1 25 25 CYS H H 25 7.862 7.862 7.920 -0.058 19124 110 1 . 1 1 26 26 ARG N N 26 121.480 121.480 119.760 1.720 19124 111 1 . 1 1 26 26 ARG HA H 26 4.290 4.290 4.273 0.017 19124 112 1 . 1 1 26 26 ARG CA C 26 56.637 56.637 57.067 -0.430 19124 113 1 . 1 1 26 26 ARG CB C 26 30.129 30.129 30.093 0.035 19124 114 1 . 1 1 26 26 ARG H H 26 8.298 8.298 7.738 0.560 19124 115 1 . 1 1 27 27 TYR N N 27 119.050 119.050 118.728 0.322 19124 116 1 . 1 1 27 27 TYR HA H 27 4.749 4.749 4.450 0.299 19124 117 1 . 1 1 27 27 TYR CB C 27 38.326 38.326 38.432 -0.106 19124 118 1 . 1 1 27 27 TYR H H 27 8.016 8.016 7.719 0.297 19124 stop_ save_