data_18289 save_entry_information _Entry.Sf_category entry_information _Entry.NMR_STAR_version 3.0.9.13 _Entry.Entry_ID 18289 _Entry.PDB_ID 2LQ2 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 18289 _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 LYS HA H 2 4.088 4.088 4.349 -0.261 18289 2 1 1 . 1 1 2 2 LYS H H 2 8.573 8.573 8.687 -0.114 18289 3 1 1 . 1 1 3 3 GLY H H 3 8.410 8.410 8.421 -0.011 18289 4 1 1 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.175 -0.054 18289 5 1 1 . 1 1 4 4 ARG H H 4 8.040 8.040 7.796 0.244 18289 6 1 1 . 1 1 5 5 ILE HA H 5 4.083 4.083 3.982 0.101 18289 7 1 1 . 1 1 5 5 ILE H H 5 7.903 7.903 7.804 0.099 18289 8 1 1 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.292 0.115 18289 9 1 1 . 1 1 6 6 ASP H H 6 8.402 8.402 8.209 0.193 18289 10 1 1 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.404 -0.085 18289 11 1 1 . 1 1 7 7 ALA H H 7 8.013 8.013 7.806 0.207 18289 12 1 1 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.553 -0.206 18289 13 1 1 . 1 1 9 9 ASP H H 9 8.203 8.203 8.063 0.140 18289 14 1 1 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.352 0.284 18289 15 1 1 . 1 1 10 10 PHE H H 10 7.949 7.949 7.997 -0.048 18289 16 1 1 . 1 1 12 12 SER HA H 12 4.226 4.226 4.341 -0.115 18289 17 1 1 . 1 1 12 12 SER H H 12 8.255 8.255 7.712 0.543 18289 18 1 1 . 1 1 13 13 SER HA H 13 4.542 4.542 4.354 0.188 18289 19 1 1 . 1 1 13 13 SER H H 13 8.159 8.159 8.098 0.061 18289 20 1 1 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.203 -0.189 18289 21 1 1 . 1 1 15 15 ALA H H 15 8.166 8.166 7.439 0.727 18289 22 1 1 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.843 0.029 18289 23 1 1 . 1 1 16 16 ILE H H 16 7.965 7.965 8.522 -0.557 18289 24 1 1 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.110 -0.035 18289 25 1 1 . 1 1 17 17 LEU H H 17 8.181 8.181 8.264 -0.083 18289 26 1 1 . 1 1 18 18 GLY H H 18 8.215 8.215 7.746 0.469 18289 27 1 1 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.198 -0.120 18289 28 1 1 . 1 1 19 19 LYS H H 19 7.975 7.975 7.965 0.010 18289 29 1 1 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.213 -0.235 18289 30 1 1 . 1 1 20 20 ALA H H 20 8.210 8.210 7.946 0.264 18289 31 1 1 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.135 -0.234 18289 32 1 1 . 1 1 21 21 ALA H H 21 8.187 8.187 7.722 0.465 18289 33 1 1 . 1 1 22 22 THR HA H 22 4.529 4.529 4.159 0.370 18289 34 1 1 . 1 1 22 22 THR H H 22 8.406 8.406 7.647 0.759 18289 35 1 1 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.575 -0.105 18289 36 1 1 . 1 1 23 23 ASP H H 23 8.209 8.209 8.161 0.048 18289 37 1 1 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.842 -0.013 18289 38 1 1 . 1 1 24 24 VAL H H 24 7.900 7.900 7.661 0.239 18289 39 1 1 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.691 0.080 18289 40 1 1 . 1 1 25 25 VAL H H 25 8.047 8.047 7.425 0.622 18289 41 1 1 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.348 -0.388 18289 42 1 1 . 1 1 26 26 ALA H H 26 8.187 8.187 7.698 0.489 18289 43 1 1 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.176 -0.174 18289 44 1 1 . 1 1 27 27 ALA H H 27 8.052 8.052 8.130 -0.078 18289 45 1 1 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.379 -0.026 18289 46 1 1 . 1 1 28 28 TRP H H 28 7.869 7.869 7.902 -0.033 18289 47 1 1 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.208 -0.210 18289 48 1 1 . 1 1 29 29 LYS H H 29 7.684 7.684 7.817 -0.133 18289 49 1 2 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.363 -0.275 18289 50 1 2 . 1 1 2 2 LYS H H 2 8.573 8.573 8.719 -0.146 18289 51 1 2 . 1 1 3 3 GLY H H 3 8.410 8.410 8.522 -0.112 18289 52 1 2 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.138 -0.017 18289 53 1 2 . 1 1 4 4 ARG H H 4 8.040 8.040 7.773 0.267 18289 54 1 2 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.086 -0.003 18289 55 1 2 . 1 1 5 5 ILE H H 5 7.903 7.903 7.718 0.185 18289 56 1 2 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.405 0.002 18289 57 1 2 . 1 1 6 6 ASP H H 6 8.402 8.402 8.180 0.222 18289 58 1 2 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.079 0.240 18289 59 1 2 . 1 1 7 7 ALA H H 7 8.013 8.013 7.705 0.308 18289 60 1 2 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.481 -0.134 18289 61 1 2 . 1 1 9 9 ASP H H 9 8.203 8.203 8.035 0.168 18289 62 1 2 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.341 0.295 18289 63 1 2 . 1 1 10 10 PHE H H 10 7.949 7.949 8.067 -0.118 18289 64 1 2 . 1 1 12 12 SER HA H 12 4.226 4.226 4.373 -0.147 18289 65 1 2 . 1 1 12 12 SER H H 12 8.255 8.255 7.638 0.617 18289 66 1 2 . 1 1 13 13 SER HA H 13 4.542 4.542 4.351 0.191 18289 67 1 2 . 1 1 13 13 SER H H 13 8.159 8.159 8.113 0.046 18289 68 1 2 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.176 -0.162 18289 69 1 2 . 1 1 15 15 ALA H H 15 8.166 8.166 7.328 0.838 18289 70 1 2 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.736 0.136 18289 71 1 2 . 1 1 16 16 ILE H H 16 7.965 7.965 8.449 -0.484 18289 72 1 2 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.152 -0.077 18289 73 1 2 . 1 1 17 17 LEU H H 17 8.181 8.181 8.143 0.038 18289 74 1 2 . 1 1 18 18 GLY H H 18 8.215 8.215 7.827 0.388 18289 75 1 2 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.195 -0.117 18289 76 1 2 . 1 1 19 19 LYS H H 19 7.975 7.975 7.970 0.005 18289 77 1 2 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.176 -0.198 18289 78 1 2 . 1 1 20 20 ALA H H 20 8.210 8.210 8.025 0.185 18289 79 1 2 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.148 -0.247 18289 80 1 2 . 1 1 21 21 ALA H H 21 8.187 8.187 7.729 0.458 18289 81 1 2 . 1 1 22 22 THR HA H 22 4.529 4.529 4.167 0.362 18289 82 1 2 . 1 1 22 22 THR H H 22 8.406 8.406 7.653 0.753 18289 83 1 2 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.591 -0.121 18289 84 1 2 . 1 1 23 23 ASP H H 23 8.209 8.209 8.157 0.052 18289 85 1 2 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.827 0.002 18289 86 1 2 . 1 1 24 24 VAL H H 24 7.900 7.900 7.662 0.238 18289 87 1 2 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.805 -0.034 18289 88 1 2 . 1 1 25 25 VAL H H 25 8.047 8.047 7.541 0.506 18289 89 1 2 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.343 -0.383 18289 90 1 2 . 1 1 26 26 ALA H H 26 8.187 8.187 7.720 0.467 18289 91 1 2 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.155 -0.153 18289 92 1 2 . 1 1 27 27 ALA H H 27 8.052 8.052 8.156 -0.104 18289 93 1 2 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.406 -0.053 18289 94 1 2 . 1 1 28 28 TRP H H 28 7.869 7.869 7.932 -0.063 18289 95 1 2 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.243 -0.245 18289 96 1 2 . 1 1 29 29 LYS H H 29 7.684 7.684 7.748 -0.064 18289 97 1 3 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.360 -0.272 18289 98 1 3 . 1 1 2 2 LYS H H 2 8.573 8.573 8.388 0.185 18289 99 1 3 . 1 1 3 3 GLY H H 3 8.410 8.410 8.437 -0.027 18289 100 1 3 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.111 0.010 18289 101 1 3 . 1 1 4 4 ARG H H 4 8.040 8.040 7.751 0.289 18289 102 1 3 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.028 0.055 18289 103 1 3 . 1 1 5 5 ILE H H 5 7.903 7.903 7.715 0.188 18289 104 1 3 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.401 0.006 18289 105 1 3 . 1 1 6 6 ASP H H 6 8.402 8.402 8.182 0.220 18289 106 1 3 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.066 0.253 18289 107 1 3 . 1 1 7 7 ALA H H 7 8.013 8.013 7.722 0.291 18289 108 1 3 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.512 -0.165 18289 109 1 3 . 1 1 9 9 ASP H H 9 8.203 8.203 8.000 0.203 18289 110 1 3 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.359 0.277 18289 111 1 3 . 1 1 10 10 PHE H H 10 7.949 7.949 8.081 -0.132 18289 112 1 3 . 1 1 12 12 SER HA H 12 4.226 4.226 4.342 -0.116 18289 113 1 3 . 1 1 12 12 SER H H 12 8.255 8.255 7.687 0.568 18289 114 1 3 . 1 1 13 13 SER HA H 13 4.542 4.542 4.373 0.169 18289 115 1 3 . 1 1 13 13 SER H H 13 8.159 8.159 8.157 0.002 18289 116 1 3 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.188 -0.174 18289 117 1 3 . 1 1 15 15 ALA H H 15 8.166 8.166 7.417 0.749 18289 118 1 3 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.869 0.003 18289 119 1 3 . 1 1 16 16 ILE H H 16 7.965 7.965 8.528 -0.563 18289 120 1 3 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.148 -0.073 18289 121 1 3 . 1 1 17 17 LEU H H 17 8.181 8.181 8.210 -0.029 18289 122 1 3 . 1 1 18 18 GLY H H 18 8.215 8.215 7.780 0.435 18289 123 1 3 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.199 -0.121 18289 124 1 3 . 1 1 19 19 LYS H H 19 7.975 7.975 7.905 0.070 18289 125 1 3 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.179 -0.201 18289 126 1 3 . 1 1 20 20 ALA H H 20 8.210 8.210 7.878 0.332 18289 127 1 3 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.152 -0.251 18289 128 1 3 . 1 1 21 21 ALA H H 21 8.187 8.187 7.746 0.441 18289 129 1 3 . 1 1 22 22 THR HA H 22 4.529 4.529 4.147 0.382 18289 130 1 3 . 1 1 22 22 THR H H 22 8.406 8.406 7.630 0.776 18289 131 1 3 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.560 -0.090 18289 132 1 3 . 1 1 23 23 ASP H H 23 8.209 8.209 8.129 0.080 18289 133 1 3 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.894 -0.065 18289 134 1 3 . 1 1 24 24 VAL H H 24 7.900 7.900 7.762 0.138 18289 135 1 3 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.835 -0.064 18289 136 1 3 . 1 1 25 25 VAL H H 25 8.047 8.047 7.571 0.476 18289 137 1 3 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.286 -0.326 18289 138 1 3 . 1 1 26 26 ALA H H 26 8.187 8.187 7.636 0.551 18289 139 1 3 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.276 -0.274 18289 140 1 3 . 1 1 27 27 ALA H H 27 8.052 8.052 7.960 0.092 18289 141 1 3 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.339 0.014 18289 142 1 3 . 1 1 28 28 TRP H H 28 7.869 7.869 8.032 -0.163 18289 143 1 3 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.233 -0.235 18289 144 1 3 . 1 1 29 29 LYS H H 29 7.684 7.684 8.022 -0.338 18289 145 1 4 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.346 -0.258 18289 146 1 4 . 1 1 2 2 LYS H H 2 8.573 8.573 8.755 -0.182 18289 147 1 4 . 1 1 3 3 GLY H H 3 8.410 8.410 8.522 -0.112 18289 148 1 4 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.156 -0.035 18289 149 1 4 . 1 1 4 4 ARG H H 4 8.040 8.040 7.757 0.283 18289 150 1 4 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.080 0.003 18289 151 1 4 . 1 1 5 5 ILE H H 5 7.903 7.903 7.725 0.178 18289 152 1 4 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.439 -0.032 18289 153 1 4 . 1 1 6 6 ASP H H 6 8.402 8.402 8.286 0.116 18289 154 1 4 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.093 0.226 18289 155 1 4 . 1 1 7 7 ALA H H 7 8.013 8.013 7.716 0.297 18289 156 1 4 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.489 -0.142 18289 157 1 4 . 1 1 9 9 ASP H H 9 8.203 8.203 8.072 0.131 18289 158 1 4 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.337 0.299 18289 159 1 4 . 1 1 10 10 PHE H H 10 7.949 7.949 8.056 -0.107 18289 160 1 4 . 1 1 12 12 SER HA H 12 4.226 4.226 4.328 -0.102 18289 161 1 4 . 1 1 12 12 SER H H 12 8.255 8.255 7.698 0.557 18289 162 1 4 . 1 1 13 13 SER HA H 13 4.542 4.542 4.225 0.317 18289 163 1 4 . 1 1 13 13 SER H H 13 8.159 8.159 8.017 0.142 18289 164 1 4 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.192 -0.178 18289 165 1 4 . 1 1 15 15 ALA H H 15 8.166 8.166 7.426 0.740 18289 166 1 4 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.727 0.145 18289 167 1 4 . 1 1 16 16 ILE H H 16 7.965 7.965 8.447 -0.482 18289 168 1 4 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.135 -0.060 18289 169 1 4 . 1 1 17 17 LEU H H 17 8.181 8.181 8.099 0.082 18289 170 1 4 . 1 1 18 18 GLY H H 18 8.215 8.215 7.788 0.427 18289 171 1 4 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.196 -0.118 18289 172 1 4 . 1 1 19 19 LYS H H 19 7.975 7.975 7.902 0.073 18289 173 1 4 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.191 -0.213 18289 174 1 4 . 1 1 20 20 ALA H H 20 8.210 8.210 7.940 0.270 18289 175 1 4 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.037 -0.136 18289 176 1 4 . 1 1 21 21 ALA H H 21 8.187 8.187 7.711 0.476 18289 177 1 4 . 1 1 22 22 THR HA H 22 4.529 4.529 4.120 0.409 18289 178 1 4 . 1 1 22 22 THR H H 22 8.406 8.406 7.560 0.846 18289 179 1 4 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.504 -0.034 18289 180 1 4 . 1 1 23 23 ASP H H 23 8.209 8.209 8.139 0.070 18289 181 1 4 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.863 -0.034 18289 182 1 4 . 1 1 24 24 VAL H H 24 7.900 7.900 7.791 0.109 18289 183 1 4 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.858 -0.087 18289 184 1 4 . 1 1 25 25 VAL H H 25 8.047 8.047 7.593 0.454 18289 185 1 4 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.336 -0.376 18289 186 1 4 . 1 1 26 26 ALA H H 26 8.187 8.187 7.712 0.475 18289 187 1 4 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.110 -0.108 18289 188 1 4 . 1 1 27 27 ALA H H 27 8.052 8.052 8.134 -0.082 18289 189 1 4 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.361 -0.008 18289 190 1 4 . 1 1 28 28 TRP H H 28 7.869 7.869 7.904 -0.035 18289 191 1 4 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.255 -0.258 18289 192 1 4 . 1 1 29 29 LYS H H 29 7.684 7.684 7.798 -0.114 18289 193 1 5 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.349 -0.261 18289 194 1 5 . 1 1 2 2 LYS H H 2 8.573 8.573 8.693 -0.120 18289 195 1 5 . 1 1 3 3 GLY H H 3 8.410 8.410 8.431 -0.021 18289 196 1 5 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.151 -0.030 18289 197 1 5 . 1 1 4 4 ARG H H 4 8.040 8.040 7.767 0.273 18289 198 1 5 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.026 0.057 18289 199 1 5 . 1 1 5 5 ILE H H 5 7.903 7.903 7.718 0.185 18289 200 1 5 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.283 0.124 18289 201 1 5 . 1 1 6 6 ASP H H 6 8.402 8.402 8.193 0.209 18289 202 1 5 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.399 -0.080 18289 203 1 5 . 1 1 7 7 ALA H H 7 8.013 8.013 7.822 0.191 18289 204 1 5 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.485 -0.138 18289 205 1 5 . 1 1 9 9 ASP H H 9 8.203 8.203 7.981 0.222 18289 206 1 5 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.295 0.341 18289 207 1 5 . 1 1 10 10 PHE H H 10 7.949 7.949 7.977 -0.028 18289 208 1 5 . 1 1 12 12 SER HA H 12 4.226 4.226 4.352 -0.126 18289 209 1 5 . 1 1 12 12 SER H H 12 8.255 8.255 7.682 0.573 18289 210 1 5 . 1 1 13 13 SER HA H 13 4.542 4.542 4.313 0.229 18289 211 1 5 . 1 1 13 13 SER H H 13 8.159 8.159 8.204 -0.045 18289 212 1 5 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.208 -0.194 18289 213 1 5 . 1 1 15 15 ALA H H 15 8.166 8.166 7.452 0.714 18289 214 1 5 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.709 0.163 18289 215 1 5 . 1 1 16 16 ILE H H 16 7.965 7.965 8.470 -0.505 18289 216 1 5 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.091 -0.016 18289 217 1 5 . 1 1 17 17 LEU H H 17 8.181 8.181 8.159 0.022 18289 218 1 5 . 1 1 18 18 GLY H H 18 8.215 8.215 7.819 0.396 18289 219 1 5 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.194 -0.116 18289 220 1 5 . 1 1 19 19 LYS H H 19 7.975 7.975 7.908 0.067 18289 221 1 5 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.172 -0.194 18289 222 1 5 . 1 1 20 20 ALA H H 20 8.210 8.210 7.938 0.272 18289 223 1 5 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.149 -0.248 18289 224 1 5 . 1 1 21 21 ALA H H 21 8.187 8.187 7.703 0.484 18289 225 1 5 . 1 1 22 22 THR HA H 22 4.529 4.529 4.156 0.373 18289 226 1 5 . 1 1 22 22 THR H H 22 8.406 8.406 7.637 0.769 18289 227 1 5 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.542 -0.072 18289 228 1 5 . 1 1 23 23 ASP H H 23 8.209 8.209 8.123 0.086 18289 229 1 5 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.839 -0.010 18289 230 1 5 . 1 1 24 24 VAL H H 24 7.900 7.900 7.859 0.041 18289 231 1 5 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.781 -0.010 18289 232 1 5 . 1 1 25 25 VAL H H 25 8.047 8.047 7.552 0.495 18289 233 1 5 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.293 -0.333 18289 234 1 5 . 1 1 26 26 ALA H H 26 8.187 8.187 7.741 0.446 18289 235 1 5 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.179 -0.177 18289 236 1 5 . 1 1 27 27 ALA H H 27 8.052 8.052 7.922 0.130 18289 237 1 5 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.384 -0.031 18289 238 1 5 . 1 1 28 28 TRP H H 28 7.869 7.869 8.275 -0.406 18289 239 1 5 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.203 -0.205 18289 240 1 5 . 1 1 29 29 LYS H H 29 7.684 7.684 7.700 -0.016 18289 241 1 6 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.372 -0.284 18289 242 1 6 . 1 1 2 2 LYS H H 2 8.573 8.573 8.727 -0.154 18289 243 1 6 . 1 1 3 3 GLY H H 3 8.410 8.410 8.535 -0.125 18289 244 1 6 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.150 -0.029 18289 245 1 6 . 1 1 4 4 ARG H H 4 8.040 8.040 7.786 0.254 18289 246 1 6 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.067 0.016 18289 247 1 6 . 1 1 5 5 ILE H H 5 7.903 7.903 7.746 0.157 18289 248 1 6 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.412 -0.005 18289 249 1 6 . 1 1 6 6 ASP H H 6 8.402 8.402 8.204 0.198 18289 250 1 6 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.118 0.201 18289 251 1 6 . 1 1 7 7 ALA H H 7 8.013 8.013 7.757 0.256 18289 252 1 6 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.513 -0.166 18289 253 1 6 . 1 1 9 9 ASP H H 9 8.203 8.203 8.000 0.203 18289 254 1 6 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.351 0.285 18289 255 1 6 . 1 1 10 10 PHE H H 10 7.949 7.949 8.068 -0.119 18289 256 1 6 . 1 1 12 12 SER HA H 12 4.226 4.226 4.331 -0.105 18289 257 1 6 . 1 1 12 12 SER H H 12 8.255 8.255 7.637 0.618 18289 258 1 6 . 1 1 13 13 SER HA H 13 4.542 4.542 4.380 0.162 18289 259 1 6 . 1 1 13 13 SER H H 13 8.159 8.159 8.162 -0.003 18289 260 1 6 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.179 -0.165 18289 261 1 6 . 1 1 15 15 ALA H H 15 8.166 8.166 7.407 0.759 18289 262 1 6 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.834 0.038 18289 263 1 6 . 1 1 16 16 ILE H H 16 7.965 7.965 8.477 -0.512 18289 264 1 6 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.203 -0.128 18289 265 1 6 . 1 1 17 17 LEU H H 17 8.181 8.181 8.150 0.031 18289 266 1 6 . 1 1 18 18 GLY H H 18 8.215 8.215 7.821 0.394 18289 267 1 6 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.262 -0.184 18289 268 1 6 . 1 1 19 19 LYS H H 19 7.975 7.975 7.925 0.050 18289 269 1 6 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.154 -0.176 18289 270 1 6 . 1 1 20 20 ALA H H 20 8.210 8.210 7.745 0.465 18289 271 1 6 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.127 -0.226 18289 272 1 6 . 1 1 21 21 ALA H H 21 8.187 8.187 7.751 0.436 18289 273 1 6 . 1 1 22 22 THR HA H 22 4.529 4.529 4.152 0.377 18289 274 1 6 . 1 1 22 22 THR H H 22 8.406 8.406 7.617 0.789 18289 275 1 6 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.566 -0.096 18289 276 1 6 . 1 1 23 23 ASP H H 23 8.209 8.209 8.138 0.071 18289 277 1 6 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.849 -0.020 18289 278 1 6 . 1 1 24 24 VAL H H 24 7.900 7.900 7.718 0.182 18289 279 1 6 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.764 0.007 18289 280 1 6 . 1 1 25 25 VAL H H 25 8.047 8.047 7.506 0.541 18289 281 1 6 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.338 -0.378 18289 282 1 6 . 1 1 26 26 ALA H H 26 8.187 8.187 7.696 0.491 18289 283 1 6 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.170 -0.168 18289 284 1 6 . 1 1 27 27 ALA H H 27 8.052 8.052 8.133 -0.081 18289 285 1 6 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.388 -0.035 18289 286 1 6 . 1 1 28 28 TRP H H 28 7.869 7.869 7.901 -0.032 18289 287 1 6 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.161 -0.163 18289 288 1 6 . 1 1 29 29 LYS H H 29 7.684 7.684 7.754 -0.070 18289 289 1 7 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.365 -0.277 18289 290 1 7 . 1 1 2 2 LYS H H 2 8.573 8.573 8.701 -0.128 18289 291 1 7 . 1 1 3 3 GLY H H 3 8.410 8.410 8.522 -0.112 18289 292 1 7 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.142 -0.021 18289 293 1 7 . 1 1 4 4 ARG H H 4 8.040 8.040 7.787 0.253 18289 294 1 7 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.054 0.029 18289 295 1 7 . 1 1 5 5 ILE H H 5 7.903 7.903 7.734 0.169 18289 296 1 7 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.392 0.015 18289 297 1 7 . 1 1 6 6 ASP H H 6 8.402 8.402 8.174 0.228 18289 298 1 7 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.084 0.235 18289 299 1 7 . 1 1 7 7 ALA H H 7 8.013 8.013 7.727 0.286 18289 300 1 7 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.506 -0.159 18289 301 1 7 . 1 1 9 9 ASP H H 9 8.203 8.203 8.010 0.193 18289 302 1 7 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.346 0.290 18289 303 1 7 . 1 1 10 10 PHE H H 10 7.949 7.949 8.063 -0.114 18289 304 1 7 . 1 1 12 12 SER HA H 12 4.226 4.226 4.327 -0.101 18289 305 1 7 . 1 1 12 12 SER H H 12 8.255 8.255 7.702 0.553 18289 306 1 7 . 1 1 13 13 SER HA H 13 4.542 4.542 4.222 0.320 18289 307 1 7 . 1 1 13 13 SER H H 13 8.159 8.159 8.000 0.159 18289 308 1 7 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.176 -0.162 18289 309 1 7 . 1 1 15 15 ALA H H 15 8.166 8.166 7.398 0.768 18289 310 1 7 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.865 0.007 18289 311 1 7 . 1 1 16 16 ILE H H 16 7.965 7.965 8.366 -0.401 18289 312 1 7 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.120 -0.045 18289 313 1 7 . 1 1 17 17 LEU H H 17 8.181 8.181 8.179 0.002 18289 314 1 7 . 1 1 18 18 GLY H H 18 8.215 8.215 7.836 0.379 18289 315 1 7 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.196 -0.118 18289 316 1 7 . 1 1 19 19 LYS H H 19 7.975 7.975 7.939 0.036 18289 317 1 7 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.154 -0.176 18289 318 1 7 . 1 1 20 20 ALA H H 20 8.210 8.210 7.710 0.500 18289 319 1 7 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.081 -0.180 18289 320 1 7 . 1 1 21 21 ALA H H 21 8.187 8.187 7.733 0.454 18289 321 1 7 . 1 1 22 22 THR HA H 22 4.529 4.529 4.131 0.398 18289 322 1 7 . 1 1 22 22 THR H H 22 8.406 8.406 7.591 0.815 18289 323 1 7 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.499 -0.029 18289 324 1 7 . 1 1 23 23 ASP H H 23 8.209 8.209 8.087 0.122 18289 325 1 7 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.848 -0.019 18289 326 1 7 . 1 1 24 24 VAL H H 24 7.900 7.900 7.687 0.213 18289 327 1 7 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.703 0.068 18289 328 1 7 . 1 1 25 25 VAL H H 25 8.047 8.047 7.456 0.591 18289 329 1 7 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.270 -0.310 18289 330 1 7 . 1 1 26 26 ALA H H 26 8.187 8.187 7.790 0.397 18289 331 1 7 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.202 -0.200 18289 332 1 7 . 1 1 27 27 ALA H H 27 8.052 8.052 7.886 0.166 18289 333 1 7 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.394 -0.041 18289 334 1 7 . 1 1 28 28 TRP H H 28 7.869 7.869 8.249 -0.380 18289 335 1 7 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.032 -0.034 18289 336 1 7 . 1 1 29 29 LYS H H 29 7.684 7.684 7.786 -0.102 18289 337 1 8 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.346 -0.258 18289 338 1 8 . 1 1 2 2 LYS H H 2 8.573 8.573 8.768 -0.195 18289 339 1 8 . 1 1 3 3 GLY H H 3 8.410 8.410 8.519 -0.109 18289 340 1 8 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.185 -0.064 18289 341 1 8 . 1 1 4 4 ARG H H 4 8.040 8.040 7.801 0.239 18289 342 1 8 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.056 0.027 18289 343 1 8 . 1 1 5 5 ILE H H 5 7.903 7.903 7.727 0.176 18289 344 1 8 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.325 0.082 18289 345 1 8 . 1 1 6 6 ASP H H 6 8.402 8.402 8.206 0.196 18289 346 1 8 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.359 -0.040 18289 347 1 8 . 1 1 7 7 ALA H H 7 8.013 8.013 7.828 0.185 18289 348 1 8 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.491 -0.144 18289 349 1 8 . 1 1 9 9 ASP H H 9 8.203 8.203 7.989 0.214 18289 350 1 8 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.267 0.369 18289 351 1 8 . 1 1 10 10 PHE H H 10 7.949 7.949 8.000 -0.051 18289 352 1 8 . 1 1 12 12 SER HA H 12 4.226 4.226 4.366 -0.140 18289 353 1 8 . 1 1 12 12 SER H H 12 8.255 8.255 7.678 0.577 18289 354 1 8 . 1 1 13 13 SER HA H 13 4.542 4.542 4.314 0.228 18289 355 1 8 . 1 1 13 13 SER H H 13 8.159 8.159 8.299 -0.140 18289 356 1 8 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.192 -0.178 18289 357 1 8 . 1 1 15 15 ALA H H 15 8.166 8.166 7.431 0.735 18289 358 1 8 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.891 -0.019 18289 359 1 8 . 1 1 16 16 ILE H H 16 7.965 7.965 8.386 -0.421 18289 360 1 8 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.255 -0.180 18289 361 1 8 . 1 1 17 17 LEU H H 17 8.181 8.181 8.146 0.035 18289 362 1 8 . 1 1 18 18 GLY H H 18 8.215 8.215 7.862 0.353 18289 363 1 8 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.267 -0.189 18289 364 1 8 . 1 1 19 19 LYS H H 19 7.975 7.975 7.929 0.046 18289 365 1 8 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.166 -0.188 18289 366 1 8 . 1 1 20 20 ALA H H 20 8.210 8.210 7.790 0.420 18289 367 1 8 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.020 -0.119 18289 368 1 8 . 1 1 21 21 ALA H H 21 8.187 8.187 7.738 0.449 18289 369 1 8 . 1 1 22 22 THR HA H 22 4.529 4.529 4.065 0.464 18289 370 1 8 . 1 1 22 22 THR H H 22 8.406 8.406 7.577 0.829 18289 371 1 8 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.498 -0.028 18289 372 1 8 . 1 1 23 23 ASP H H 23 8.209 8.209 8.121 0.088 18289 373 1 8 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.879 -0.050 18289 374 1 8 . 1 1 24 24 VAL H H 24 7.900 7.900 7.876 0.024 18289 375 1 8 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.812 -0.041 18289 376 1 8 . 1 1 25 25 VAL H H 25 8.047 8.047 7.579 0.468 18289 377 1 8 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.259 -0.299 18289 378 1 8 . 1 1 26 26 ALA H H 26 8.187 8.187 7.755 0.432 18289 379 1 8 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.221 -0.219 18289 380 1 8 . 1 1 27 27 ALA H H 27 8.052 8.052 7.991 0.061 18289 381 1 8 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.396 -0.043 18289 382 1 8 . 1 1 28 28 TRP H H 28 7.869 7.869 8.379 -0.510 18289 383 1 8 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.042 -0.044 18289 384 1 8 . 1 1 29 29 LYS H H 29 7.684 7.684 7.787 -0.103 18289 385 1 9 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.309 -0.221 18289 386 1 9 . 1 1 2 2 LYS H H 2 8.573 8.573 8.600 -0.027 18289 387 1 9 . 1 1 3 3 GLY H H 3 8.410 8.410 8.478 -0.068 18289 388 1 9 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.192 -0.071 18289 389 1 9 . 1 1 4 4 ARG H H 4 8.040 8.040 7.740 0.300 18289 390 1 9 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.048 0.035 18289 391 1 9 . 1 1 5 5 ILE H H 5 7.903 7.903 7.739 0.164 18289 392 1 9 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.357 0.050 18289 393 1 9 . 1 1 6 6 ASP H H 6 8.402 8.402 8.303 0.099 18289 394 1 9 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.398 -0.079 18289 395 1 9 . 1 1 7 7 ALA H H 7 8.013 8.013 7.740 0.273 18289 396 1 9 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.461 -0.114 18289 397 1 9 . 1 1 9 9 ASP H H 9 8.203 8.203 7.989 0.214 18289 398 1 9 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.325 0.311 18289 399 1 9 . 1 1 10 10 PHE H H 10 7.949 7.949 8.070 -0.121 18289 400 1 9 . 1 1 12 12 SER HA H 12 4.226 4.226 4.333 -0.107 18289 401 1 9 . 1 1 12 12 SER H H 12 8.255 8.255 7.705 0.550 18289 402 1 9 . 1 1 13 13 SER HA H 13 4.542 4.542 4.261 0.281 18289 403 1 9 . 1 1 13 13 SER H H 13 8.159 8.159 8.053 0.106 18289 404 1 9 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.196 -0.182 18289 405 1 9 . 1 1 15 15 ALA H H 15 8.166 8.166 7.442 0.724 18289 406 1 9 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.842 0.030 18289 407 1 9 . 1 1 16 16 ILE H H 16 7.965 7.965 8.436 -0.471 18289 408 1 9 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.267 -0.192 18289 409 1 9 . 1 1 17 17 LEU H H 17 8.181 8.181 8.243 -0.062 18289 410 1 9 . 1 1 18 18 GLY H H 18 8.215 8.215 7.853 0.362 18289 411 1 9 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.194 -0.116 18289 412 1 9 . 1 1 19 19 LYS H H 19 7.975 7.975 7.952 0.023 18289 413 1 9 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.149 -0.171 18289 414 1 9 . 1 1 20 20 ALA H H 20 8.210 8.210 7.722 0.488 18289 415 1 9 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.137 -0.236 18289 416 1 9 . 1 1 21 21 ALA H H 21 8.187 8.187 7.744 0.443 18289 417 1 9 . 1 1 22 22 THR HA H 22 4.529 4.529 4.116 0.413 18289 418 1 9 . 1 1 22 22 THR H H 22 8.406 8.406 7.623 0.783 18289 419 1 9 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.545 -0.075 18289 420 1 9 . 1 1 23 23 ASP H H 23 8.209 8.209 8.099 0.110 18289 421 1 9 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.900 -0.071 18289 422 1 9 . 1 1 24 24 VAL H H 24 7.900 7.900 7.806 0.094 18289 423 1 9 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.679 0.092 18289 424 1 9 . 1 1 25 25 VAL H H 25 8.047 8.047 7.482 0.565 18289 425 1 9 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.343 -0.383 18289 426 1 9 . 1 1 26 26 ALA H H 26 8.187 8.187 7.658 0.529 18289 427 1 9 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.106 -0.104 18289 428 1 9 . 1 1 27 27 ALA H H 27 8.052 8.052 8.234 -0.182 18289 429 1 9 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.385 -0.032 18289 430 1 9 . 1 1 28 28 TRP H H 28 7.869 7.869 7.946 -0.077 18289 431 1 9 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.203 -0.205 18289 432 1 9 . 1 1 29 29 LYS H H 29 7.684 7.684 7.739 -0.055 18289 433 1 10 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.317 -0.229 18289 434 1 10 . 1 1 2 2 LYS H H 2 8.573 8.573 8.588 -0.015 18289 435 1 10 . 1 1 3 3 GLY H H 3 8.410 8.410 8.520 -0.110 18289 436 1 10 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.176 -0.055 18289 437 1 10 . 1 1 4 4 ARG H H 4 8.040 8.040 7.946 0.094 18289 438 1 10 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.233 -0.150 18289 439 1 10 . 1 1 5 5 ILE H H 5 7.903 7.903 7.549 0.354 18289 440 1 10 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.325 0.082 18289 441 1 10 . 1 1 6 6 ASP H H 6 8.402 8.402 8.201 0.201 18289 442 1 10 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.406 -0.087 18289 443 1 10 . 1 1 7 7 ALA H H 7 8.013 8.013 7.799 0.214 18289 444 1 10 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.554 -0.207 18289 445 1 10 . 1 1 9 9 ASP H H 9 8.203 8.203 8.062 0.141 18289 446 1 10 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.348 0.288 18289 447 1 10 . 1 1 10 10 PHE H H 10 7.949 7.949 8.024 -0.075 18289 448 1 10 . 1 1 12 12 SER HA H 12 4.226 4.226 4.375 -0.149 18289 449 1 10 . 1 1 12 12 SER H H 12 8.255 8.255 7.686 0.569 18289 450 1 10 . 1 1 13 13 SER HA H 13 4.542 4.542 4.371 0.171 18289 451 1 10 . 1 1 13 13 SER H H 13 8.159 8.159 8.138 0.021 18289 452 1 10 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.214 -0.200 18289 453 1 10 . 1 1 15 15 ALA H H 15 8.166 8.166 7.463 0.703 18289 454 1 10 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.729 0.143 18289 455 1 10 . 1 1 16 16 ILE H H 16 7.965 7.965 8.509 -0.544 18289 456 1 10 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.151 -0.076 18289 457 1 10 . 1 1 17 17 LEU H H 17 8.181 8.181 8.133 0.048 18289 458 1 10 . 1 1 18 18 GLY H H 18 8.215 8.215 7.813 0.402 18289 459 1 10 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.143 -0.065 18289 460 1 10 . 1 1 19 19 LYS H H 19 7.975 7.975 7.935 0.040 18289 461 1 10 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.173 -0.195 18289 462 1 10 . 1 1 20 20 ALA H H 20 8.210 8.210 7.951 0.259 18289 463 1 10 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.126 -0.225 18289 464 1 10 . 1 1 21 21 ALA H H 21 8.187 8.187 7.715 0.472 18289 465 1 10 . 1 1 22 22 THR HA H 22 4.529 4.529 4.103 0.426 18289 466 1 10 . 1 1 22 22 THR H H 22 8.406 8.406 7.607 0.799 18289 467 1 10 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.614 -0.144 18289 468 1 10 . 1 1 23 23 ASP H H 23 8.209 8.209 8.179 0.030 18289 469 1 10 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.756 0.073 18289 470 1 10 . 1 1 24 24 VAL H H 24 7.900 7.900 7.760 0.140 18289 471 1 10 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.850 -0.079 18289 472 1 10 . 1 1 25 25 VAL H H 25 8.047 8.047 7.538 0.509 18289 473 1 10 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.348 -0.388 18289 474 1 10 . 1 1 26 26 ALA H H 26 8.187 8.187 7.671 0.516 18289 475 1 10 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.145 -0.143 18289 476 1 10 . 1 1 27 27 ALA H H 27 8.052 8.052 8.173 -0.121 18289 477 1 10 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.350 0.003 18289 478 1 10 . 1 1 28 28 TRP H H 28 7.869 7.869 7.869 0.000 18289 479 1 10 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.270 -0.272 18289 480 1 10 . 1 1 29 29 LYS H H 29 7.684 7.684 7.830 -0.146 18289 481 1 11 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.313 -0.225 18289 482 1 11 . 1 1 2 2 LYS H H 2 8.573 8.573 8.517 0.056 18289 483 1 11 . 1 1 3 3 GLY H H 3 8.410 8.410 8.515 -0.105 18289 484 1 11 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.139 -0.018 18289 485 1 11 . 1 1 4 4 ARG H H 4 8.040 8.040 7.933 0.107 18289 486 1 11 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.230 -0.147 18289 487 1 11 . 1 1 5 5 ILE H H 5 7.903 7.903 7.565 0.338 18289 488 1 11 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.421 -0.014 18289 489 1 11 . 1 1 6 6 ASP H H 6 8.402 8.402 8.202 0.200 18289 490 1 11 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.090 0.229 18289 491 1 11 . 1 1 7 7 ALA H H 7 8.013 8.013 7.730 0.283 18289 492 1 11 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.627 -0.280 18289 493 1 11 . 1 1 9 9 ASP H H 9 8.203 8.203 8.073 0.130 18289 494 1 11 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.354 0.282 18289 495 1 11 . 1 1 10 10 PHE H H 10 7.949 7.949 8.073 -0.124 18289 496 1 11 . 1 1 12 12 SER HA H 12 4.226 4.226 4.332 -0.106 18289 497 1 11 . 1 1 12 12 SER H H 12 8.255 8.255 7.689 0.566 18289 498 1 11 . 1 1 13 13 SER HA H 13 4.542 4.542 4.343 0.199 18289 499 1 11 . 1 1 13 13 SER H H 13 8.159 8.159 8.142 0.017 18289 500 1 11 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.185 -0.171 18289 501 1 11 . 1 1 15 15 ALA H H 15 8.166 8.166 7.418 0.748 18289 502 1 11 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.851 0.021 18289 503 1 11 . 1 1 16 16 ILE H H 16 7.965 7.965 8.511 -0.546 18289 504 1 11 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.132 -0.057 18289 505 1 11 . 1 1 17 17 LEU H H 17 8.181 8.181 8.199 -0.018 18289 506 1 11 . 1 1 18 18 GLY H H 18 8.215 8.215 7.791 0.424 18289 507 1 11 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.187 -0.109 18289 508 1 11 . 1 1 19 19 LYS H H 19 7.975 7.975 7.900 0.075 18289 509 1 11 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.135 -0.157 18289 510 1 11 . 1 1 20 20 ALA H H 20 8.210 8.210 7.866 0.344 18289 511 1 11 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.105 -0.204 18289 512 1 11 . 1 1 21 21 ALA H H 21 8.187 8.187 7.719 0.468 18289 513 1 11 . 1 1 22 22 THR HA H 22 4.529 4.529 4.076 0.453 18289 514 1 11 . 1 1 22 22 THR H H 22 8.406 8.406 7.595 0.811 18289 515 1 11 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.540 -0.070 18289 516 1 11 . 1 1 23 23 ASP H H 23 8.209 8.209 8.091 0.118 18289 517 1 11 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.815 0.014 18289 518 1 11 . 1 1 24 24 VAL H H 24 7.900 7.900 7.759 0.141 18289 519 1 11 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.727 0.044 18289 520 1 11 . 1 1 25 25 VAL H H 25 8.047 8.047 7.465 0.582 18289 521 1 11 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.258 -0.298 18289 522 1 11 . 1 1 26 26 ALA H H 26 8.187 8.187 7.736 0.451 18289 523 1 11 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.211 -0.209 18289 524 1 11 . 1 1 27 27 ALA H H 27 8.052 8.052 7.966 0.086 18289 525 1 11 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.405 -0.052 18289 526 1 11 . 1 1 28 28 TRP H H 28 7.869 7.869 8.329 -0.460 18289 527 1 11 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.060 -0.062 18289 528 1 11 . 1 1 29 29 LYS H H 29 7.684 7.684 7.727 -0.043 18289 529 1 12 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.355 -0.267 18289 530 1 12 . 1 1 2 2 LYS H H 2 8.573 8.573 8.754 -0.181 18289 531 1 12 . 1 1 3 3 GLY H H 3 8.410 8.410 8.529 -0.119 18289 532 1 12 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.148 -0.027 18289 533 1 12 . 1 1 4 4 ARG H H 4 8.040 8.040 7.743 0.297 18289 534 1 12 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.060 0.023 18289 535 1 12 . 1 1 5 5 ILE H H 5 7.903 7.903 7.735 0.168 18289 536 1 12 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.416 -0.009 18289 537 1 12 . 1 1 6 6 ASP H H 6 8.402 8.402 8.243 0.159 18289 538 1 12 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.101 0.218 18289 539 1 12 . 1 1 7 7 ALA H H 7 8.013 8.013 7.737 0.276 18289 540 1 12 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.514 -0.167 18289 541 1 12 . 1 1 9 9 ASP H H 9 8.203 8.203 8.000 0.203 18289 542 1 12 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.292 0.344 18289 543 1 12 . 1 1 10 10 PHE H H 10 7.949 7.949 8.049 -0.100 18289 544 1 12 . 1 1 12 12 SER HA H 12 4.226 4.226 4.321 -0.095 18289 545 1 12 . 1 1 12 12 SER H H 12 8.255 8.255 7.633 0.622 18289 546 1 12 . 1 1 13 13 SER HA H 13 4.542 4.542 4.316 0.226 18289 547 1 12 . 1 1 13 13 SER H H 13 8.159 8.159 8.254 -0.095 18289 548 1 12 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.178 -0.164 18289 549 1 12 . 1 1 15 15 ALA H H 15 8.166 8.166 7.398 0.768 18289 550 1 12 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.853 0.019 18289 551 1 12 . 1 1 16 16 ILE H H 16 7.965 7.965 8.356 -0.391 18289 552 1 12 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.125 -0.050 18289 553 1 12 . 1 1 17 17 LEU H H 17 8.181 8.181 8.176 0.005 18289 554 1 12 . 1 1 18 18 GLY H H 18 8.215 8.215 7.854 0.361 18289 555 1 12 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.149 -0.071 18289 556 1 12 . 1 1 19 19 LYS H H 19 7.975 7.975 7.950 0.025 18289 557 1 12 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.170 -0.192 18289 558 1 12 . 1 1 20 20 ALA H H 20 8.210 8.210 7.762 0.448 18289 559 1 12 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.141 -0.240 18289 560 1 12 . 1 1 21 21 ALA H H 21 8.187 8.187 7.731 0.456 18289 561 1 12 . 1 1 22 22 THR HA H 22 4.529 4.529 4.171 0.358 18289 562 1 12 . 1 1 22 22 THR H H 22 8.406 8.406 7.649 0.757 18289 563 1 12 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.609 -0.139 18289 564 1 12 . 1 1 23 23 ASP H H 23 8.209 8.209 8.164 0.045 18289 565 1 12 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.845 -0.016 18289 566 1 12 . 1 1 24 24 VAL H H 24 7.900 7.900 7.836 0.064 18289 567 1 12 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.816 -0.045 18289 568 1 12 . 1 1 25 25 VAL H H 25 8.047 8.047 7.535 0.512 18289 569 1 12 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.260 -0.300 18289 570 1 12 . 1 1 26 26 ALA H H 26 8.187 8.187 7.761 0.426 18289 571 1 12 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.219 -0.217 18289 572 1 12 . 1 1 27 27 ALA H H 27 8.052 8.052 7.990 0.062 18289 573 1 12 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.412 -0.059 18289 574 1 12 . 1 1 28 28 TRP H H 28 7.869 7.869 8.384 -0.515 18289 575 1 12 . 1 1 29 29 LYS HA H 29 3.998 3.998 3.767 0.231 18289 576 1 12 . 1 1 29 29 LYS H H 29 7.684 7.684 7.673 0.011 18289 577 1 13 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.271 -0.183 18289 578 1 13 . 1 1 2 2 LYS H H 2 8.573 8.573 8.288 0.285 18289 579 1 13 . 1 1 3 3 GLY H H 3 8.410 8.410 8.587 -0.177 18289 580 1 13 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.148 -0.027 18289 581 1 13 . 1 1 4 4 ARG H H 4 8.040 8.040 7.878 0.162 18289 582 1 13 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.235 -0.152 18289 583 1 13 . 1 1 5 5 ILE H H 5 7.903 7.903 7.605 0.298 18289 584 1 13 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.474 -0.067 18289 585 1 13 . 1 1 6 6 ASP H H 6 8.402 8.402 8.246 0.156 18289 586 1 13 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.127 0.192 18289 587 1 13 . 1 1 7 7 ALA H H 7 8.013 8.013 7.679 0.334 18289 588 1 13 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.507 -0.160 18289 589 1 13 . 1 1 9 9 ASP H H 9 8.203 8.203 8.014 0.189 18289 590 1 13 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.320 0.316 18289 591 1 13 . 1 1 10 10 PHE H H 10 7.949 7.949 8.079 -0.130 18289 592 1 13 . 1 1 12 12 SER HA H 12 4.226 4.226 4.354 -0.128 18289 593 1 13 . 1 1 12 12 SER H H 12 8.255 8.255 7.656 0.599 18289 594 1 13 . 1 1 13 13 SER HA H 13 4.542 4.542 4.295 0.247 18289 595 1 13 . 1 1 13 13 SER H H 13 8.159 8.159 8.011 0.148 18289 596 1 13 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.181 -0.167 18289 597 1 13 . 1 1 15 15 ALA H H 15 8.166 8.166 7.410 0.756 18289 598 1 13 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.838 0.034 18289 599 1 13 . 1 1 16 16 ILE H H 16 7.965 7.965 8.460 -0.495 18289 600 1 13 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.266 -0.191 18289 601 1 13 . 1 1 17 17 LEU H H 17 8.181 8.181 8.132 0.049 18289 602 1 13 . 1 1 18 18 GLY H H 18 8.215 8.215 7.811 0.404 18289 603 1 13 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.136 -0.058 18289 604 1 13 . 1 1 19 19 LYS H H 19 7.975 7.975 7.948 0.027 18289 605 1 13 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.162 -0.184 18289 606 1 13 . 1 1 20 20 ALA H H 20 8.210 8.210 7.709 0.501 18289 607 1 13 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.129 -0.228 18289 608 1 13 . 1 1 21 21 ALA H H 21 8.187 8.187 7.753 0.434 18289 609 1 13 . 1 1 22 22 THR HA H 22 4.529 4.529 4.162 0.367 18289 610 1 13 . 1 1 22 22 THR H H 22 8.406 8.406 7.630 0.776 18289 611 1 13 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.594 -0.124 18289 612 1 13 . 1 1 23 23 ASP H H 23 8.209 8.209 8.139 0.070 18289 613 1 13 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.838 -0.009 18289 614 1 13 . 1 1 24 24 VAL H H 24 7.900 7.900 7.754 0.146 18289 615 1 13 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.828 -0.057 18289 616 1 13 . 1 1 25 25 VAL H H 25 8.047 8.047 7.565 0.482 18289 617 1 13 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.349 -0.389 18289 618 1 13 . 1 1 26 26 ALA H H 26 8.187 8.187 7.699 0.488 18289 619 1 13 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.149 -0.147 18289 620 1 13 . 1 1 27 27 ALA H H 27 8.052 8.052 8.180 -0.128 18289 621 1 13 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.383 -0.030 18289 622 1 13 . 1 1 28 28 TRP H H 28 7.869 7.869 7.886 -0.017 18289 623 1 13 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.108 -0.110 18289 624 1 13 . 1 1 29 29 LYS H H 29 7.684 7.684 7.717 -0.033 18289 625 1 14 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.359 -0.271 18289 626 1 14 . 1 1 2 2 LYS H H 2 8.573 8.573 8.709 -0.136 18289 627 1 14 . 1 1 3 3 GLY H H 3 8.410 8.410 8.504 -0.094 18289 628 1 14 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.135 -0.014 18289 629 1 14 . 1 1 4 4 ARG H H 4 8.040 8.040 7.744 0.296 18289 630 1 14 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.022 0.061 18289 631 1 14 . 1 1 5 5 ILE H H 5 7.903 7.903 7.793 0.110 18289 632 1 14 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.370 0.037 18289 633 1 14 . 1 1 6 6 ASP H H 6 8.402 8.402 8.236 0.166 18289 634 1 14 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.353 -0.034 18289 635 1 14 . 1 1 7 7 ALA H H 7 8.013 8.013 7.825 0.188 18289 636 1 14 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.558 -0.211 18289 637 1 14 . 1 1 9 9 ASP H H 9 8.203 8.203 8.085 0.118 18289 638 1 14 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.346 0.290 18289 639 1 14 . 1 1 10 10 PHE H H 10 7.949 7.949 8.018 -0.069 18289 640 1 14 . 1 1 12 12 SER HA H 12 4.226 4.226 4.428 -0.202 18289 641 1 14 . 1 1 12 12 SER H H 12 8.255 8.255 7.658 0.597 18289 642 1 14 . 1 1 13 13 SER HA H 13 4.542 4.542 4.363 0.179 18289 643 1 14 . 1 1 13 13 SER H H 13 8.159 8.159 8.088 0.071 18289 644 1 14 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.213 -0.199 18289 645 1 14 . 1 1 15 15 ALA H H 15 8.166 8.166 7.493 0.673 18289 646 1 14 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.786 0.086 18289 647 1 14 . 1 1 16 16 ILE H H 16 7.965 7.965 8.493 -0.528 18289 648 1 14 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.250 -0.175 18289 649 1 14 . 1 1 17 17 LEU H H 17 8.181 8.181 8.319 -0.138 18289 650 1 14 . 1 1 18 18 GLY H H 18 8.215 8.215 7.840 0.375 18289 651 1 14 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.201 -0.123 18289 652 1 14 . 1 1 19 19 LYS H H 19 7.975 7.975 7.960 0.015 18289 653 1 14 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.167 -0.189 18289 654 1 14 . 1 1 20 20 ALA H H 20 8.210 8.210 7.747 0.463 18289 655 1 14 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.129 -0.228 18289 656 1 14 . 1 1 21 21 ALA H H 21 8.187 8.187 7.673 0.514 18289 657 1 14 . 1 1 22 22 THR HA H 22 4.529 4.529 4.206 0.323 18289 658 1 14 . 1 1 22 22 THR H H 22 8.406 8.406 7.572 0.834 18289 659 1 14 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.577 -0.107 18289 660 1 14 . 1 1 23 23 ASP H H 23 8.209 8.209 8.091 0.118 18289 661 1 14 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.826 0.003 18289 662 1 14 . 1 1 24 24 VAL H H 24 7.900 7.900 7.769 0.131 18289 663 1 14 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.849 -0.078 18289 664 1 14 . 1 1 25 25 VAL H H 25 8.047 8.047 7.461 0.586 18289 665 1 14 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.332 -0.372 18289 666 1 14 . 1 1 26 26 ALA H H 26 8.187 8.187 7.573 0.614 18289 667 1 14 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.156 -0.154 18289 668 1 14 . 1 1 27 27 ALA H H 27 8.052 8.052 8.179 -0.127 18289 669 1 14 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.379 -0.026 18289 670 1 14 . 1 1 28 28 TRP H H 28 7.869 7.869 7.885 -0.016 18289 671 1 14 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.204 -0.206 18289 672 1 14 . 1 1 29 29 LYS H H 29 7.684 7.684 7.717 -0.033 18289 673 1 15 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.306 -0.218 18289 674 1 15 . 1 1 2 2 LYS H H 2 8.573 8.573 8.559 0.014 18289 675 1 15 . 1 1 3 3 GLY H H 3 8.410 8.410 8.521 -0.111 18289 676 1 15 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.169 -0.048 18289 677 1 15 . 1 1 4 4 ARG H H 4 8.040 8.040 7.925 0.115 18289 678 1 15 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.245 -0.162 18289 679 1 15 . 1 1 5 5 ILE H H 5 7.903 7.903 7.567 0.336 18289 680 1 15 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.282 0.125 18289 681 1 15 . 1 1 6 6 ASP H H 6 8.402 8.402 8.202 0.200 18289 682 1 15 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.408 -0.089 18289 683 1 15 . 1 1 7 7 ALA H H 7 8.013 8.013 7.794 0.219 18289 684 1 15 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.558 -0.211 18289 685 1 15 . 1 1 9 9 ASP H H 9 8.203 8.203 8.051 0.152 18289 686 1 15 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.363 0.273 18289 687 1 15 . 1 1 10 10 PHE H H 10 7.949 7.949 8.009 -0.060 18289 688 1 15 . 1 1 12 12 SER HA H 12 4.226 4.226 4.334 -0.108 18289 689 1 15 . 1 1 12 12 SER H H 12 8.255 8.255 7.670 0.585 18289 690 1 15 . 1 1 13 13 SER HA H 13 4.542 4.542 4.397 0.145 18289 691 1 15 . 1 1 13 13 SER H H 13 8.159 8.159 8.208 -0.049 18289 692 1 15 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.222 -0.208 18289 693 1 15 . 1 1 15 15 ALA H H 15 8.166 8.166 7.459 0.707 18289 694 1 15 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.795 0.077 18289 695 1 15 . 1 1 16 16 ILE H H 16 7.965 7.965 8.483 -0.518 18289 696 1 15 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.245 -0.170 18289 697 1 15 . 1 1 17 17 LEU H H 17 8.181 8.181 8.178 0.003 18289 698 1 15 . 1 1 18 18 GLY H H 18 8.215 8.215 7.877 0.338 18289 699 1 15 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.201 -0.123 18289 700 1 15 . 1 1 19 19 LYS H H 19 7.975 7.975 7.965 0.010 18289 701 1 15 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.142 -0.164 18289 702 1 15 . 1 1 20 20 ALA H H 20 8.210 8.210 7.707 0.503 18289 703 1 15 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.160 -0.259 18289 704 1 15 . 1 1 21 21 ALA H H 21 8.187 8.187 7.726 0.461 18289 705 1 15 . 1 1 22 22 THR HA H 22 4.529 4.529 4.178 0.351 18289 706 1 15 . 1 1 22 22 THR H H 22 8.406 8.406 7.631 0.775 18289 707 1 15 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.625 -0.155 18289 708 1 15 . 1 1 23 23 ASP H H 23 8.209 8.209 8.145 0.064 18289 709 1 15 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.787 0.042 18289 710 1 15 . 1 1 24 24 VAL H H 24 7.900 7.900 7.891 0.009 18289 711 1 15 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.813 -0.042 18289 712 1 15 . 1 1 25 25 VAL H H 25 8.047 8.047 7.487 0.560 18289 713 1 15 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.340 -0.380 18289 714 1 15 . 1 1 26 26 ALA H H 26 8.187 8.187 7.538 0.649 18289 715 1 15 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.159 -0.157 18289 716 1 15 . 1 1 27 27 ALA H H 27 8.052 8.052 8.068 -0.016 18289 717 1 15 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.352 0.001 18289 718 1 15 . 1 1 28 28 TRP H H 28 7.869 7.869 7.807 0.062 18289 719 1 15 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.207 -0.209 18289 720 1 15 . 1 1 29 29 LYS H H 29 7.684 7.684 7.811 -0.127 18289 721 1 16 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.258 -0.170 18289 722 1 16 . 1 1 2 2 LYS H H 2 8.573 8.573 8.300 0.273 18289 723 1 16 . 1 1 3 3 GLY H H 3 8.410 8.410 8.499 -0.089 18289 724 1 16 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.140 -0.019 18289 725 1 16 . 1 1 4 4 ARG H H 4 8.040 8.040 7.815 0.225 18289 726 1 16 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.189 -0.106 18289 727 1 16 . 1 1 5 5 ILE H H 5 7.903 7.903 7.578 0.325 18289 728 1 16 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.312 0.095 18289 729 1 16 . 1 1 6 6 ASP H H 6 8.402 8.402 8.219 0.183 18289 730 1 16 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.417 -0.098 18289 731 1 16 . 1 1 7 7 ALA H H 7 8.013 8.013 7.725 0.288 18289 732 1 16 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.480 -0.133 18289 733 1 16 . 1 1 9 9 ASP H H 9 8.203 8.203 7.977 0.226 18289 734 1 16 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.327 0.309 18289 735 1 16 . 1 1 10 10 PHE H H 10 7.949 7.949 8.017 -0.068 18289 736 1 16 . 1 1 12 12 SER HA H 12 4.226 4.226 4.344 -0.118 18289 737 1 16 . 1 1 12 12 SER H H 12 8.255 8.255 7.667 0.588 18289 738 1 16 . 1 1 13 13 SER HA H 13 4.542 4.542 4.355 0.187 18289 739 1 16 . 1 1 13 13 SER H H 13 8.159 8.159 8.159 0.000 18289 740 1 16 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.221 -0.207 18289 741 1 16 . 1 1 15 15 ALA H H 15 8.166 8.166 7.454 0.712 18289 742 1 16 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.827 0.045 18289 743 1 16 . 1 1 16 16 ILE H H 16 7.965 7.965 8.422 -0.457 18289 744 1 16 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.186 -0.111 18289 745 1 16 . 1 1 17 17 LEU H H 17 8.181 8.181 8.189 -0.008 18289 746 1 16 . 1 1 18 18 GLY H H 18 8.215 8.215 7.829 0.386 18289 747 1 16 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.167 -0.089 18289 748 1 16 . 1 1 19 19 LYS H H 19 7.975 7.975 7.964 0.011 18289 749 1 16 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.190 -0.212 18289 750 1 16 . 1 1 20 20 ALA H H 20 8.210 8.210 7.784 0.426 18289 751 1 16 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.124 -0.223 18289 752 1 16 . 1 1 21 21 ALA H H 21 8.187 8.187 7.688 0.499 18289 753 1 16 . 1 1 22 22 THR HA H 22 4.529 4.529 4.225 0.304 18289 754 1 16 . 1 1 22 22 THR H H 22 8.406 8.406 7.610 0.796 18289 755 1 16 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.592 -0.122 18289 756 1 16 . 1 1 23 23 ASP H H 23 8.209 8.209 8.152 0.057 18289 757 1 16 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.830 -0.001 18289 758 1 16 . 1 1 24 24 VAL H H 24 7.900 7.900 7.738 0.162 18289 759 1 16 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.864 -0.093 18289 760 1 16 . 1 1 25 25 VAL H H 25 8.047 8.047 7.560 0.487 18289 761 1 16 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.155 -0.195 18289 762 1 16 . 1 1 26 26 ALA H H 26 8.187 8.187 7.719 0.468 18289 763 1 16 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.222 -0.220 18289 764 1 16 . 1 1 27 27 ALA H H 27 8.052 8.052 7.925 0.127 18289 765 1 16 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.425 -0.072 18289 766 1 16 . 1 1 28 28 TRP H H 28 7.869 7.869 8.389 -0.520 18289 767 1 16 . 1 1 29 29 LYS HA H 29 3.998 3.998 3.788 0.210 18289 768 1 16 . 1 1 29 29 LYS H H 29 7.684 7.684 7.612 0.072 18289 769 1 17 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.360 -0.272 18289 770 1 17 . 1 1 2 2 LYS H H 2 8.573 8.573 8.701 -0.128 18289 771 1 17 . 1 1 3 3 GLY H H 3 8.410 8.410 8.427 -0.017 18289 772 1 17 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.119 0.002 18289 773 1 17 . 1 1 4 4 ARG H H 4 8.040 8.040 7.723 0.317 18289 774 1 17 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.069 0.014 18289 775 1 17 . 1 1 5 5 ILE H H 5 7.903 7.903 7.683 0.220 18289 776 1 17 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.436 -0.029 18289 777 1 17 . 1 1 6 6 ASP H H 6 8.402 8.402 8.225 0.177 18289 778 1 17 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.095 0.224 18289 779 1 17 . 1 1 7 7 ALA H H 7 8.013 8.013 7.740 0.273 18289 780 1 17 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.489 -0.142 18289 781 1 17 . 1 1 9 9 ASP H H 9 8.203 8.203 8.029 0.174 18289 782 1 17 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.341 0.295 18289 783 1 17 . 1 1 10 10 PHE H H 10 7.949 7.949 8.058 -0.109 18289 784 1 17 . 1 1 12 12 SER HA H 12 4.226 4.226 4.378 -0.152 18289 785 1 17 . 1 1 12 12 SER H H 12 8.255 8.255 7.660 0.595 18289 786 1 17 . 1 1 13 13 SER HA H 13 4.542 4.542 4.273 0.269 18289 787 1 17 . 1 1 13 13 SER H H 13 8.159 8.159 8.082 0.077 18289 788 1 17 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.173 -0.159 18289 789 1 17 . 1 1 15 15 ALA H H 15 8.166 8.166 7.321 0.845 18289 790 1 17 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.811 0.061 18289 791 1 17 . 1 1 16 16 ILE H H 16 7.965 7.965 8.572 -0.607 18289 792 1 17 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.193 -0.118 18289 793 1 17 . 1 1 17 17 LEU H H 17 8.181 8.181 8.321 -0.140 18289 794 1 17 . 1 1 18 18 GLY H H 18 8.215 8.215 7.876 0.339 18289 795 1 17 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.206 -0.128 18289 796 1 17 . 1 1 19 19 LYS H H 19 7.975 7.975 7.918 0.057 18289 797 1 17 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.148 -0.170 18289 798 1 17 . 1 1 20 20 ALA H H 20 8.210 8.210 7.860 0.350 18289 799 1 17 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.109 -0.208 18289 800 1 17 . 1 1 21 21 ALA H H 21 8.187 8.187 7.658 0.529 18289 801 1 17 . 1 1 22 22 THR HA H 22 4.529 4.529 4.118 0.411 18289 802 1 17 . 1 1 22 22 THR H H 22 8.406 8.406 7.558 0.848 18289 803 1 17 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.595 -0.125 18289 804 1 17 . 1 1 23 23 ASP H H 23 8.209 8.209 8.180 0.029 18289 805 1 17 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.821 0.008 18289 806 1 17 . 1 1 24 24 VAL H H 24 7.900 7.900 7.814 0.086 18289 807 1 17 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.771 -0.000 18289 808 1 17 . 1 1 25 25 VAL H H 25 8.047 8.047 7.491 0.556 18289 809 1 17 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.361 -0.401 18289 810 1 17 . 1 1 26 26 ALA H H 26 8.187 8.187 7.665 0.522 18289 811 1 17 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.167 -0.165 18289 812 1 17 . 1 1 27 27 ALA H H 27 8.052 8.052 8.188 -0.136 18289 813 1 17 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.398 -0.045 18289 814 1 17 . 1 1 28 28 TRP H H 28 7.869 7.869 7.789 0.080 18289 815 1 17 . 1 1 29 29 LYS HA H 29 3.998 3.998 3.962 0.036 18289 816 1 17 . 1 1 29 29 LYS H H 29 7.684 7.684 7.719 -0.035 18289 817 1 18 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.343 -0.255 18289 818 1 18 . 1 1 2 2 LYS H H 2 8.573 8.573 8.792 -0.219 18289 819 1 18 . 1 1 3 3 GLY H H 3 8.410 8.410 8.612 -0.202 18289 820 1 18 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.201 -0.080 18289 821 1 18 . 1 1 4 4 ARG H H 4 8.040 8.040 7.695 0.345 18289 822 1 18 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.103 -0.020 18289 823 1 18 . 1 1 5 5 ILE H H 5 7.903 7.903 7.704 0.199 18289 824 1 18 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.316 0.091 18289 825 1 18 . 1 1 6 6 ASP H H 6 8.402 8.402 8.203 0.199 18289 826 1 18 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.382 -0.063 18289 827 1 18 . 1 1 7 7 ALA H H 7 8.013 8.013 7.796 0.217 18289 828 1 18 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.461 -0.114 18289 829 1 18 . 1 1 9 9 ASP H H 9 8.203 8.203 7.976 0.227 18289 830 1 18 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.335 0.301 18289 831 1 18 . 1 1 10 10 PHE H H 10 7.949 7.949 8.030 -0.081 18289 832 1 18 . 1 1 12 12 SER HA H 12 4.226 4.226 4.405 -0.179 18289 833 1 18 . 1 1 12 12 SER H H 12 8.255 8.255 7.657 0.598 18289 834 1 18 . 1 1 13 13 SER HA H 13 4.542 4.542 4.307 0.235 18289 835 1 18 . 1 1 13 13 SER H H 13 8.159 8.159 8.078 0.081 18289 836 1 18 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.190 -0.176 18289 837 1 18 . 1 1 15 15 ALA H H 15 8.166 8.166 7.433 0.733 18289 838 1 18 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.841 0.031 18289 839 1 18 . 1 1 16 16 ILE H H 16 7.965 7.965 8.493 -0.528 18289 840 1 18 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.215 -0.140 18289 841 1 18 . 1 1 17 17 LEU H H 17 8.181 8.181 8.171 0.010 18289 842 1 18 . 1 1 18 18 GLY H H 18 8.215 8.215 7.821 0.394 18289 843 1 18 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.187 -0.109 18289 844 1 18 . 1 1 19 19 LYS H H 19 7.975 7.975 7.936 0.039 18289 845 1 18 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.144 -0.166 18289 846 1 18 . 1 1 20 20 ALA H H 20 8.210 8.210 7.695 0.515 18289 847 1 18 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.111 -0.210 18289 848 1 18 . 1 1 21 21 ALA H H 21 8.187 8.187 7.706 0.481 18289 849 1 18 . 1 1 22 22 THR HA H 22 4.529 4.529 4.142 0.387 18289 850 1 18 . 1 1 22 22 THR H H 22 8.406 8.406 7.589 0.817 18289 851 1 18 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.587 -0.117 18289 852 1 18 . 1 1 23 23 ASP H H 23 8.209 8.209 8.140 0.069 18289 853 1 18 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.867 -0.038 18289 854 1 18 . 1 1 24 24 VAL H H 24 7.900 7.900 7.801 0.099 18289 855 1 18 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.587 0.184 18289 856 1 18 . 1 1 25 25 VAL H H 25 8.047 8.047 7.423 0.624 18289 857 1 18 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.312 -0.352 18289 858 1 18 . 1 1 26 26 ALA H H 26 8.187 8.187 7.601 0.586 18289 859 1 18 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.332 -0.330 18289 860 1 18 . 1 1 27 27 ALA H H 27 8.052 8.052 8.184 -0.132 18289 861 1 18 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.371 -0.018 18289 862 1 18 . 1 1 28 28 TRP H H 28 7.869 7.869 8.196 -0.327 18289 863 1 18 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.151 -0.153 18289 864 1 18 . 1 1 29 29 LYS H H 29 7.684 7.684 7.724 -0.040 18289 865 1 19 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.320 -0.232 18289 866 1 19 . 1 1 2 2 LYS H H 2 8.573 8.573 8.628 -0.055 18289 867 1 19 . 1 1 3 3 GLY H H 3 8.410 8.410 8.531 -0.121 18289 868 1 19 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.139 -0.018 18289 869 1 19 . 1 1 4 4 ARG H H 4 8.040 8.040 7.790 0.250 18289 870 1 19 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.000 0.083 18289 871 1 19 . 1 1 5 5 ILE H H 5 7.903 7.903 7.759 0.144 18289 872 1 19 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.440 -0.033 18289 873 1 19 . 1 1 6 6 ASP H H 6 8.402 8.402 8.229 0.173 18289 874 1 19 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.079 0.240 18289 875 1 19 . 1 1 7 7 ALA H H 7 8.013 8.013 7.704 0.309 18289 876 1 19 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.581 -0.234 18289 877 1 19 . 1 1 9 9 ASP H H 9 8.203 8.203 8.093 0.110 18289 878 1 19 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.343 0.293 18289 879 1 19 . 1 1 10 10 PHE H H 10 7.949 7.949 8.065 -0.116 18289 880 1 19 . 1 1 12 12 SER HA H 12 4.226 4.226 4.347 -0.121 18289 881 1 19 . 1 1 12 12 SER H H 12 8.255 8.255 7.685 0.570 18289 882 1 19 . 1 1 13 13 SER HA H 13 4.542 4.542 4.330 0.212 18289 883 1 19 . 1 1 13 13 SER H H 13 8.159 8.159 8.024 0.135 18289 884 1 19 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.181 -0.167 18289 885 1 19 . 1 1 15 15 ALA H H 15 8.166 8.166 7.410 0.756 18289 886 1 19 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.832 0.040 18289 887 1 19 . 1 1 16 16 ILE H H 16 7.965 7.965 8.464 -0.499 18289 888 1 19 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.248 -0.173 18289 889 1 19 . 1 1 17 17 LEU H H 17 8.181 8.181 8.144 0.037 18289 890 1 19 . 1 1 18 18 GLY H H 18 8.215 8.215 7.831 0.384 18289 891 1 19 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.191 -0.113 18289 892 1 19 . 1 1 19 19 LYS H H 19 7.975 7.975 7.939 0.036 18289 893 1 19 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.143 -0.165 18289 894 1 19 . 1 1 20 20 ALA H H 20 8.210 8.210 7.699 0.511 18289 895 1 19 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.169 -0.268 18289 896 1 19 . 1 1 21 21 ALA H H 21 8.187 8.187 7.713 0.474 18289 897 1 19 . 1 1 22 22 THR HA H 22 4.529 4.529 4.180 0.349 18289 898 1 19 . 1 1 22 22 THR H H 22 8.406 8.406 7.636 0.770 18289 899 1 19 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.615 -0.145 18289 900 1 19 . 1 1 23 23 ASP H H 23 8.209 8.209 8.084 0.125 18289 901 1 19 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.827 0.002 18289 902 1 19 . 1 1 24 24 VAL H H 24 7.900 7.900 7.961 -0.061 18289 903 1 19 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.933 -0.162 18289 904 1 19 . 1 1 25 25 VAL H H 25 8.047 8.047 7.419 0.628 18289 905 1 19 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.340 -0.380 18289 906 1 19 . 1 1 26 26 ALA H H 26 8.187 8.187 7.512 0.675 18289 907 1 19 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.153 -0.151 18289 908 1 19 . 1 1 27 27 ALA H H 27 8.052 8.052 8.264 -0.212 18289 909 1 19 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.403 -0.050 18289 910 1 19 . 1 1 28 28 TRP H H 28 7.869 7.869 7.866 0.003 18289 911 1 19 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.186 -0.188 18289 912 1 19 . 1 1 29 29 LYS H H 29 7.684 7.684 7.712 -0.028 18289 913 1 20 . 1 1 2 2 LYS HA H 2 4.088 4.088 4.348 -0.260 18289 914 1 20 . 1 1 2 2 LYS H H 2 8.573 8.573 8.406 0.167 18289 915 1 20 . 1 1 3 3 GLY H H 3 8.410 8.410 8.533 -0.123 18289 916 1 20 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.173 -0.052 18289 917 1 20 . 1 1 4 4 ARG H H 4 8.040 8.040 7.813 0.227 18289 918 1 20 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.003 0.080 18289 919 1 20 . 1 1 5 5 ILE H H 5 7.903 7.903 7.791 0.112 18289 920 1 20 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.299 0.108 18289 921 1 20 . 1 1 6 6 ASP H H 6 8.402 8.402 8.214 0.188 18289 922 1 20 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.407 -0.088 18289 923 1 20 . 1 1 7 7 ALA H H 7 8.013 8.013 7.815 0.198 18289 924 1 20 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.556 -0.209 18289 925 1 20 . 1 1 9 9 ASP H H 9 8.203 8.203 8.066 0.137 18289 926 1 20 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.353 0.283 18289 927 1 20 . 1 1 10 10 PHE H H 10 7.949 7.949 8.000 -0.051 18289 928 1 20 . 1 1 12 12 SER HA H 12 4.226 4.226 4.379 -0.153 18289 929 1 20 . 1 1 12 12 SER H H 12 8.255 8.255 7.695 0.560 18289 930 1 20 . 1 1 13 13 SER HA H 13 4.542 4.542 4.342 0.200 18289 931 1 20 . 1 1 13 13 SER H H 13 8.159 8.159 8.101 0.058 18289 932 1 20 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.217 -0.203 18289 933 1 20 . 1 1 15 15 ALA H H 15 8.166 8.166 7.512 0.654 18289 934 1 20 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.947 -0.075 18289 935 1 20 . 1 1 16 16 ILE H H 16 7.965 7.965 8.442 -0.477 18289 936 1 20 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.302 -0.227 18289 937 1 20 . 1 1 17 17 LEU H H 17 8.181 8.181 8.360 -0.179 18289 938 1 20 . 1 1 18 18 GLY H H 18 8.215 8.215 7.921 0.294 18289 939 1 20 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.189 -0.111 18289 940 1 20 . 1 1 19 19 LYS H H 19 7.975 7.975 7.883 0.092 18289 941 1 20 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.196 -0.218 18289 942 1 20 . 1 1 20 20 ALA H H 20 8.210 8.210 7.864 0.346 18289 943 1 20 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.128 -0.227 18289 944 1 20 . 1 1 21 21 ALA H H 21 8.187 8.187 7.677 0.510 18289 945 1 20 . 1 1 22 22 THR HA H 22 4.529 4.529 4.216 0.313 18289 946 1 20 . 1 1 22 22 THR H H 22 8.406 8.406 7.598 0.808 18289 947 1 20 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.562 -0.092 18289 948 1 20 . 1 1 23 23 ASP H H 23 8.209 8.209 8.145 0.064 18289 949 1 20 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.865 -0.036 18289 950 1 20 . 1 1 24 24 VAL H H 24 7.900 7.900 7.689 0.211 18289 951 1 20 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.805 -0.034 18289 952 1 20 . 1 1 25 25 VAL H H 25 8.047 8.047 7.508 0.539 18289 953 1 20 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.360 -0.400 18289 954 1 20 . 1 1 26 26 ALA H H 26 8.187 8.187 7.761 0.426 18289 955 1 20 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.162 -0.160 18289 956 1 20 . 1 1 27 27 ALA H H 27 8.052 8.052 8.145 -0.093 18289 957 1 20 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.390 -0.037 18289 958 1 20 . 1 1 28 28 TRP H H 28 7.869 7.869 7.853 0.016 18289 959 1 20 . 1 1 29 29 LYS HA H 29 3.998 3.998 3.835 0.163 18289 960 1 20 . 1 1 29 29 LYS H H 29 7.684 7.684 7.683 0.001 18289 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 0 0.000 0.000 0.000 18289 2 1 1 "Average Difference" HA 25 0.183 0.059 0.177 18289 3 1 1 "Average Difference" C 0 0.000 0.000 0.000 18289 4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 18289 5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 18289 6 1 1 "Average Difference" HN 25 0.353 -0.181 0.310 18289 7 1 2 "Average Difference" N 0 0.000 0.000 0.000 18289 8 1 2 "Average Difference" HA 25 0.186 0.055 0.182 18289 9 1 2 "Average Difference" C 0 0.000 0.000 0.000 18289 10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 18289 11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 18289 12 1 2 "Average Difference" HN 25 0.356 -0.186 0.309 18289 13 1 3 "Average Difference" N 0 0.000 0.000 0.000 18289 14 1 3 "Average Difference" HA 25 0.185 0.057 0.179 18289 15 1 3 "Average Difference" C 0 0.000 0.000 0.000 18289 16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 18289 17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 18289 18 1 3 "Average Difference" HN 25 0.366 -0.193 0.317 18289 19 1 4 "Average Difference" N 0 0.000 0.000 0.000 18289 20 1 4 "Average Difference" HA 25 0.188 0.038 0.188 18289 21 1 4 "Average Difference" C 0 0.000 0.000 0.000 18289 22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 18289 23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 18289 24 1 4 "Average Difference" HN 25 0.351 -0.184 0.305 18289 25 1 5 "Average Difference" N 0 0.000 0.000 0.000 18289 26 1 5 "Average Difference" HA 25 0.182 0.047 0.179 18289 27 1 5 "Average Difference" C 0 0.000 0.000 0.000 18289 28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 18289 29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 18289 30 1 5 "Average Difference" HN 25 0.349 -0.177 0.307 18289 31 1 6 "Average Difference" N 0 0.000 0.000 0.000 18289 32 1 6 "Average Difference" HA 25 0.179 0.058 0.173 18289 33 1 6 "Average Difference" C 0 0.000 0.000 0.000 18289 34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 18289 35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 18289 36 1 6 "Average Difference" HN 25 0.362 -0.192 0.313 18289 37 1 7 "Average Difference" N 0 0.000 0.000 0.000 18289 38 1 7 "Average Difference" HA 25 0.177 0.028 0.178 18289 39 1 7 "Average Difference" C 0 0.000 0.000 0.000 18289 40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 18289 41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 18289 42 1 7 "Average Difference" HN 25 0.369 -0.202 0.315 18289 43 1 8 "Average Difference" N 0 0.000 0.000 0.000 18289 44 1 8 "Average Difference" HA 25 0.184 0.053 0.180 18289 45 1 8 "Average Difference" C 0 0.000 0.000 0.000 18289 46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 18289 47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 18289 48 1 8 "Average Difference" HN 25 0.358 -0.160 0.327 18289 49 1 9 "Average Difference" N 0 0.000 0.000 0.000 18289 50 1 9 "Average Difference" HA 25 0.184 0.054 0.179 18289 51 1 9 "Average Difference" C 0 0.000 0.000 0.000 18289 52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 18289 53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 18289 54 1 9 "Average Difference" HN 25 0.356 -0.190 0.307 18289 55 1 10 "Average Difference" N 0 0.000 0.000 0.000 18289 56 1 10 "Average Difference" HA 25 0.191 0.068 0.182 18289 57 1 10 "Average Difference" C 0 0.000 0.000 0.000 18289 58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 18289 59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 18289 60 1 10 "Average Difference" HN 25 0.349 -0.180 0.305 18289 61 1 11 "Average Difference" N 0 0.000 0.000 0.000 18289 62 1 11 "Average Difference" HA 25 0.180 0.044 0.178 18289 63 1 11 "Average Difference" C 0 0.000 0.000 0.000 18289 64 1 11 "Average Difference" CA 0 0.000 0.000 0.000 18289 65 1 11 "Average Difference" CB 0 0.000 0.000 0.000 18289 66 1 11 "Average Difference" HN 25 0.371 -0.186 0.328 18289 67 1 12 "Average Difference" N 0 0.000 0.000 0.000 18289 68 1 12 "Average Difference" HA 25 0.181 0.032 0.181 18289 69 1 12 "Average Difference" C 0 0.000 0.000 0.000 18289 70 1 12 "Average Difference" CA 0 0.000 0.000 0.000 18289 71 1 12 "Average Difference" CB 0 0.000 0.000 0.000 18289 72 1 12 "Average Difference" HN 25 0.363 -0.171 0.327 18289 73 1 13 "Average Difference" N 0 0.000 0.000 0.000 18289 74 1 13 "Average Difference" HA 25 0.180 0.058 0.174 18289 75 1 13 "Average Difference" C 0 0.000 0.000 0.000 18289 76 1 13 "Average Difference" CA 0 0.000 0.000 0.000 18289 77 1 13 "Average Difference" CB 0 0.000 0.000 0.000 18289 78 1 13 "Average Difference" HN 25 0.365 -0.213 0.303 18289 79 1 14 "Average Difference" N 0 0.000 0.000 0.000 18289 80 1 14 "Average Difference" HA 25 0.180 0.073 0.168 18289 81 1 14 "Average Difference" C 0 0.000 0.000 0.000 18289 82 1 14 "Average Difference" CA 0 0.000 0.000 0.000 18289 83 1 14 "Average Difference" CB 0 0.000 0.000 0.000 18289 84 1 14 "Average Difference" HN 25 0.369 -0.189 0.323 18289 85 1 15 "Average Difference" N 0 0.000 0.000 0.000 18289 86 1 15 "Average Difference" HA 25 0.182 0.076 0.168 18289 87 1 15 "Average Difference" C 0 0.000 0.000 0.000 18289 88 1 15 "Average Difference" CA 0 0.000 0.000 0.000 18289 89 1 15 "Average Difference" CB 0 0.000 0.000 0.000 18289 90 1 15 "Average Difference" HN 25 0.364 -0.195 0.313 18289 91 1 16 "Average Difference" N 0 0.000 0.000 0.000 18289 92 1 16 "Average Difference" HA 25 0.162 0.050 0.157 18289 93 1 16 "Average Difference" C 0 0.000 0.000 0.000 18289 94 1 16 "Average Difference" CA 0 0.000 0.000 0.000 18289 95 1 16 "Average Difference" CB 0 0.000 0.000 0.000 18289 96 1 16 "Average Difference" HN 25 0.372 -0.207 0.316 18289 97 1 17 "Average Difference" N 0 0.000 0.000 0.000 18289 98 1 17 "Average Difference" HA 25 0.185 0.039 0.184 18289 99 1 17 "Average Difference" C 0 0.000 0.000 0.000 18289 100 1 17 "Average Difference" CA 0 0.000 0.000 0.000 18289 101 1 17 "Average Difference" CB 0 0.000 0.000 0.000 18289 102 1 17 "Average Difference" HN 25 0.381 -0.196 0.334 18289 103 1 18 "Average Difference" N 0 0.000 0.000 0.000 18289 104 1 18 "Average Difference" HA 25 0.189 0.060 0.182 18289 105 1 18 "Average Difference" C 0 0.000 0.000 0.000 18289 106 1 18 "Average Difference" CA 0 0.000 0.000 0.000 18289 107 1 18 "Average Difference" CB 0 0.000 0.000 0.000 18289 108 1 18 "Average Difference" HN 25 0.388 -0.188 0.346 18289 109 1 19 "Average Difference" N 0 0.000 0.000 0.000 18289 110 1 19 "Average Difference" HA 25 0.188 0.063 0.181 18289 111 1 19 "Average Difference" C 0 0.000 0.000 0.000 18289 112 1 19 "Average Difference" CA 0 0.000 0.000 0.000 18289 113 1 19 "Average Difference" CB 0 0.000 0.000 0.000 18289 114 1 19 "Average Difference" HN 25 0.377 -0.200 0.327 18289 115 1 20 "Average Difference" N 0 0.000 0.000 0.000 18289 116 1 20 "Average Difference" HA 25 0.185 0.069 0.176 18289 117 1 20 "Average Difference" C 0 0.000 0.000 0.000 18289 118 1 20 "Average Difference" CA 0 0.000 0.000 0.000 18289 119 1 20 "Average Difference" CB 0 0.000 0.000 0.000 18289 120 1 20 "Average Difference" HN 25 0.339 -0.187 0.288 18289 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 18289 _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 LYS HA H 2 4.088 4.088 4.335 -0.247 18289 2 1 . 1 1 2 2 LYS H H 2 8.573 8.573 8.614 -0.041 18289 3 1 . 1 1 3 3 GLY H H 3 8.410 8.410 8.508 -0.098 18289 4 1 . 1 1 4 4 ARG HA H 4 4.121 4.121 4.154 -0.033 18289 5 1 . 1 1 4 4 ARG H H 4 8.040 8.040 7.798 0.242 18289 6 1 . 1 1 5 5 ILE HA H 5 4.083 4.083 4.091 -0.008 18289 7 1 . 1 1 5 5 ILE H H 5 7.903 7.903 7.698 0.205 18289 8 1 . 1 1 6 6 ASP HA H 6 4.407 4.407 4.370 0.037 18289 9 1 . 1 1 6 6 ASP H H 6 8.402 8.402 8.218 0.184 18289 10 1 . 1 1 7 7 ALA HA H 7 4.319 4.319 4.243 0.076 18289 11 1 . 1 1 7 7 ALA H H 7 8.013 8.013 7.758 0.255 18289 12 1 . 1 1 9 9 ASP HA H 9 4.347 4.347 4.519 -0.172 18289 13 1 . 1 1 9 9 ASP H H 9 8.203 8.203 8.028 0.175 18289 14 1 . 1 1 10 10 PHE HA H 10 4.636 4.636 4.335 0.301 18289 15 1 . 1 1 10 10 PHE H H 10 7.949 7.949 8.040 -0.091 18289 16 1 . 1 1 12 12 SER HA H 12 4.226 4.226 4.354 -0.129 18289 17 1 . 1 1 12 12 SER H H 12 8.255 8.255 7.675 0.580 18289 18 1 . 1 1 13 13 SER HA H 13 4.542 4.542 4.324 0.218 18289 19 1 . 1 1 13 13 SER H H 13 8.159 8.159 8.119 0.040 18289 20 1 . 1 1 15 15 ALA HA H 15 4.014 4.014 4.194 -0.180 18289 21 1 . 1 1 15 15 ALA H H 15 8.166 8.166 7.426 0.740 18289 22 1 . 1 1 16 16 ILE HA H 16 3.872 3.872 3.821 0.051 18289 23 1 . 1 1 16 16 ILE H H 16 7.965 7.965 8.464 -0.499 18289 24 1 . 1 1 17 17 LEU HA H 17 4.075 4.075 4.190 -0.115 18289 25 1 . 1 1 17 17 LEU H H 17 8.181 8.181 8.196 -0.015 18289 26 1 . 1 1 18 18 GLY H H 18 8.215 8.215 7.830 0.385 18289 27 1 . 1 1 19 19 LYS HA H 19 4.078 4.078 4.193 -0.115 18289 28 1 . 1 1 19 19 LYS H H 19 7.975 7.975 7.935 0.040 18289 29 1 . 1 1 20 20 ALA HA H 20 3.978 3.978 4.166 -0.188 18289 30 1 . 1 1 20 20 ALA H H 20 8.210 8.210 7.817 0.393 18289 31 1 . 1 1 21 21 ALA HA H 21 3.901 3.901 4.121 -0.220 18289 32 1 . 1 1 21 21 ALA H H 21 8.187 8.187 7.717 0.470 18289 33 1 . 1 1 22 22 THR HA H 22 4.529 4.529 4.149 0.379 18289 34 1 . 1 1 22 22 THR H H 22 8.406 8.406 7.611 0.795 18289 35 1 . 1 1 23 23 ASP HA H 23 4.470 4.470 4.569 -0.100 18289 36 1 . 1 1 23 23 ASP H H 23 8.209 8.209 8.133 0.076 18289 37 1 . 1 1 24 24 VAL HA H 24 3.829 3.829 3.841 -0.012 18289 38 1 . 1 1 24 24 VAL H H 24 7.900 7.900 7.780 0.120 18289 39 1 . 1 1 25 25 VAL HA H 25 3.771 3.771 3.789 -0.018 18289 40 1 . 1 1 25 25 VAL H H 25 8.047 8.047 7.508 0.539 18289 41 1 . 1 1 26 26 ALA HA H 26 3.960 3.960 4.312 -0.352 18289 42 1 . 1 1 26 26 ALA H H 26 8.187 8.187 7.682 0.505 18289 43 1 . 1 1 27 27 ALA HA H 27 4.002 4.002 4.184 -0.181 18289 44 1 . 1 1 27 27 ALA H H 27 8.052 8.052 8.090 -0.038 18289 45 1 . 1 1 28 28 TRP HA H 28 4.353 4.353 4.385 -0.032 18289 46 1 . 1 1 28 28 TRP H H 28 7.869 7.869 8.039 -0.170 18289 47 1 . 1 1 29 29 LYS HA H 29 3.998 3.998 4.106 -0.108 18289 48 1 . 1 1 29 29 LYS H H 29 7.684 7.684 7.754 -0.070 18289 stop_ save_