data_16239_sparta save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16239 _Entry.PDB_ID 2KHF _Entry.NMR_STAR_version 3.0.9.100 save_ save_delta_chem_shifts_single _Entity_delta_chem_shifts.Sf_category delta_chem_shifts _Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single _Entity_delta_chem_shifts.Conformer_type "single" _Entity_delta_chem_shifts.Conformer_count 20 _Entity_delta_chem_shifts.Best_conformer 1 _Entity_delta_chem_shifts.ID 1 loop_ _Delta_CS.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Conformer_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 4 . 1 1 1 A 2 2 ALA H H 2 8.989 8.436 0.553 1 1 5 . 1 1 1 A 2 2 ALA HA H 2 4.281 4.358 -0.077 1 1 9 . 1 1 1 A 2 2 ALA CA C 2 52.821 52.704 0.117 1 1 10 . 1 1 1 A 2 2 ALA CB C 2 19.251 21.113 -1.862 1 1 11 . 1 1 1 A 2 2 ALA N N 2 124.571 125.082 -0.511 1 1 12 . 1 1 1 A 3 3 TRP H H 3 8.728 8.378 0.350 1 1 13 . 1 1 1 A 3 3 TRP HA H 3 4.564 4.435 0.129 1 1 22 . 1 1 1 A 3 3 TRP CB C 3 28.826 28.091 0.735 1 1 29 . 1 1 1 A 3 3 TRP N N 3 119.557 117.657 1.900 1 1 30 . 1 1 1 A 4 4 LYS H H 4 8.281 7.184 1.097 1 1 31 . 1 1 1 A 4 4 LYS HA H 4 4.286 3.845 0.441 1 1 43 . 1 1 1 A 4 4 LYS CB C 4 32.295 31.870 0.425 1 1 46 . 1 1 1 A 4 4 LYS N N 4 122.295 122.498 -0.203 1 1 47 . 1 1 1 A 5 5 ASN H H 5 8.283 7.887 0.396 1 1 48 . 1 1 1 A 5 5 ASN HA H 5 4.279 4.488 -0.209 1 1 53 . 1 1 1 A 5 5 ASN CB C 5 37.837 38.386 -0.549 1 1 54 . 1 1 1 A 5 5 ASN N N 5 117.820 117.559 0.261 1 1 56 . 1 1 1 A 6 6 PHE H H 6 8.286 8.090 0.196 1 1 57 . 1 1 1 A 6 6 PHE HA H 6 4.291 4.188 0.103 1 1 65 . 1 1 1 A 6 6 PHE CB C 6 39.221 38.806 0.415 1 1 70 . 1 1 1 A 7 7 TRP H H 7 8.297 8.067 0.230 1 1 71 . 1 1 1 A 7 7 TRP HA H 7 4.102 4.371 -0.269 1 1 80 . 1 1 1 A 7 7 TRP CB C 7 29.767 29.262 0.505 1 1 86 . 1 1 1 A 7 7 TRP N N 7 119.790 119.622 0.168 1 1 87 . 1 1 1 A 8 8 SER H H 8 8.301 8.075 0.226 1 1 88 . 1 1 1 A 8 8 SER HA H 8 4.292 4.319 -0.027 1 1 91 . 1 1 1 A 8 8 SER CA C 8 61.099 61.397 -0.298 1 1 92 . 1 1 1 A 8 8 SER CB C 8 62.792 62.621 0.171 1 1 93 . 1 1 1 A 8 8 SER N N 8 112.802 115.816 -3.014 1 1 94 . 1 1 1 A 9 9 SER H H 9 7.860 7.913 -0.053 1 1 95 . 1 1 1 A 9 9 SER HA H 9 4.170 4.192 -0.022 1 1 98 . 1 1 1 A 9 9 SER CA C 9 62.101 60.923 1.178 1 1 99 . 1 1 1 A 9 9 SER CB C 9 62.878 63.142 -0.264 1 1 100 . 1 1 1 A 9 9 SER N N 9 117.763 117.473 0.290 1 1 101 . 1 1 1 A 10 10 LEU H H 10 7.955 7.748 0.207 1 1 102 . 1 1 1 A 10 10 LEU HA H 10 3.883 3.917 -0.034 1 1 112 . 1 1 1 A 10 10 LEU CA C 10 57.879 57.878 0.001 1 1 113 . 1 1 1 A 10 10 LEU CB C 10 41.678 41.532 0.146 1 1 117 . 1 1 1 A 10 10 LEU N N 10 123.815 122.389 1.426 1 1 118 . 1 1 1 A 11 11 ARG H H 11 8.002 8.341 -0.339 1 1 119 . 1 1 1 A 11 11 ARG HA H 11 3.703 4.414 -0.711 1 1 127 . 1 1 1 A 11 11 ARG CA C 11 59.438 58.492 0.946 1 1 128 . 1 1 1 A 11 11 ARG CB C 11 30.468 29.420 1.048 1 1 131 . 1 1 1 A 11 11 ARG N N 11 117.843 118.603 -0.760 1 1 132 . 1 1 1 A 12 12 LYS H H 12 7.721 7.768 -0.047 1 1 133 . 1 1 1 A 12 12 LYS HA H 12 4.083 3.909 0.174 1 1 145 . 1 1 1 A 12 12 LYS CA C 12 58.953 59.184 -0.231 1 1 146 . 1 1 1 A 12 12 LYS CB C 12 32.476 32.192 0.284 1 1 149 . 1 1 1 A 12 12 LYS N N 12 117.972 119.260 -1.288 1 1 150 . 1 1 1 A 13 13 GLY H H 13 8.124 8.054 0.070 1 1 151 . 1 1 1 A 13 13 GLY HA2 H 13 3.639 3.691 -0.052 1 1 152 . 1 1 1 A 13 13 GLY HA3 H 13 3.639 3.795 -0.156 1 1 153 . 1 1 1 A 13 13 GLY CA C 13 46.415 46.622 -0.207 1 1 154 . 1 1 1 A 13 13 GLY N N 13 106.124 108.548 -2.424 1 1 155 . 1 1 1 A 14 14 PHE H H 14 8.162 8.037 0.125 1 1 156 . 1 1 1 A 14 14 PHE HA H 14 4.263 4.644 -0.381 1 1 164 . 1 1 1 A 14 14 PHE CA C 14 60.406 59.832 0.574 1 1 165 . 1 1 1 A 14 14 PHE CB C 14 39.421 38.393 1.028 1 1 169 . 1 1 1 A 14 14 PHE N N 14 120.405 121.321 -0.916 1 1 170 . 1 1 1 A 15 15 TYR H H 15 8.064 8.372 -0.308 1 1 171 . 1 1 1 A 15 15 TYR HA H 15 4.257 4.430 -0.173 1 1 178 . 1 1 1 A 15 15 TYR CB C 15 38.110 37.369 0.741 1 1 183 . 1 1 1 A 15 15 TYR N N 15 117.269 118.951 -1.682 1 1 184 . 1 1 1 A 16 16 ASP H H 16 8.308 8.175 0.133 1 1 185 . 1 1 1 A 16 16 ASP HA H 16 4.622 4.581 0.041 1 1 188 . 1 1 1 A 16 16 ASP CB C 16 42.115 41.255 0.860 1 1 189 . 1 1 1 A 16 16 ASP N N 16 119.842 119.791 0.051 1 1 190 . 1 1 1 A 17 17 GLY H H 17 7.907 7.555 0.352 1 1 191 . 1 1 1 A 17 17 GLY HA2 H 17 3.960 4.025 -0.065 1 1 192 . 1 1 1 A 17 17 GLY HA3 H 17 3.960 4.027 -0.067 1 1 193 . 1 1 1 A 17 17 GLY CA C 17 46.040 45.548 0.492 1 1 194 . 1 1 1 A 17 17 GLY N N 17 107.867 106.120 1.747 1 1 195 . 1 1 1 A 18 18 GLU H H 18 8.221 8.477 -0.256 1 1 196 . 1 1 1 A 18 18 GLU HA H 18 4.096 4.106 -0.010 1 1 201 . 1 1 1 A 18 18 GLU CA C 18 57.759 59.720 -1.961 1 1 202 . 1 1 1 A 18 18 GLU CB C 18 28.496 29.268 -0.772 1 1 204 . 1 1 1 A 18 18 GLU N N 18 119.944 121.305 -1.361 1 1 205 . 1 1 1 A 19 19 ALA H H 19 8.230 8.099 0.131 1 1 206 . 1 1 1 A 19 19 ALA HA H 19 4.063 4.278 -0.215 1 1 210 . 1 1 1 A 19 19 ALA CA C 19 54.338 55.325 -0.987 1 1 211 . 1 1 1 A 19 19 ALA CB C 19 18.409 18.488 -0.079 1 1 212 . 1 1 1 A 19 19 ALA N N 19 121.362 122.643 -1.281 1 1 213 . 1 1 1 A 20 20 GLY H H 20 8.124 8.159 -0.035 1 1 214 . 1 1 1 A 20 20 GLY HA2 H 20 3.770 4.090 -0.320 1 1 215 . 1 1 1 A 20 20 GLY HA3 H 20 3.886 4.097 -0.211 1 1 216 . 1 1 1 A 20 20 GLY CA C 20 46.232 46.016 0.216 1 1 217 . 1 1 1 A 20 20 GLY N N 20 104.759 105.497 -0.738 1 1 218 . 1 1 1 A 21 21 ARG H H 21 7.716 8.540 -0.824 1 1 219 . 1 1 1 A 21 21 ARG HA H 21 4.175 4.023 0.152 1 1 227 . 1 1 1 A 21 21 ARG CA C 21 57.374 59.203 -1.829 1 1 228 . 1 1 1 A 21 21 ARG CB C 21 30.682 29.947 0.735 1 1 231 . 1 1 1 A 21 21 ARG N N 21 119.056 122.282 -3.226 1 1 232 . 1 1 1 A 22 22 ALA H H 22 7.987 7.583 0.404 1 1 233 . 1 1 1 A 22 22 ALA HA H 22 4.220 4.159 0.061 1 1 237 . 1 1 1 A 22 22 ALA CA C 22 53.388 54.266 -0.878 1 1 238 . 1 1 1 A 22 22 ALA CB C 22 19.076 18.585 0.491 1 1 239 . 1 1 1 A 22 22 ALA N N 22 121.794 120.398 1.396 1 1 240 . 1 1 1 A 23 23 ILE H H 23 7.655 7.656 -0.001 1 1 241 . 1 1 1 A 23 23 ILE HA H 23 4.105 4.014 0.091 1 1 251 . 1 1 1 A 23 23 ILE CA C 23 61.413 62.755 -1.342 1 1 252 . 1 1 1 A 23 23 ILE CB C 23 38.576 38.081 0.495 1 1 256 . 1 1 1 A 23 23 ILE N N 23 115.088 117.106 -2.018 1 1 257 . 1 1 1 A 24 24 ARG H H 24 7.829 7.578 0.251 1 1 258 . 1 1 1 A 24 24 ARG HA H 24 4.344 3.990 0.354 1 1 266 . 1 1 1 A 24 24 ARG CA C 24 55.897 57.429 -1.532 1 1 267 . 1 1 1 A 24 24 ARG CB C 24 30.663 26.973 3.690 1 1 270 . 1 1 1 A 24 24 ARG N N 24 121.629 118.262 3.367 1 1 4 . 2 1 1 A 2 2 ALA H H 2 8.989 8.360 0.629 1 1 5 . 2 1 1 A 2 2 ALA HA H 2 4.281 4.387 -0.106 1 1 9 . 2 1 1 A 2 2 ALA CA C 2 52.821 52.718 0.103 1 1 10 . 2 1 1 A 2 2 ALA CB C 2 19.251 21.230 -1.979 1 1 11 . 2 1 1 A 2 2 ALA N N 2 124.571 121.632 2.939 1 1 12 . 2 1 1 A 3 3 TRP H H 3 8.728 8.478 0.250 1 1 13 . 2 1 1 A 3 3 TRP HA H 3 4.564 4.554 0.010 1 1 22 . 2 1 1 A 3 3 TRP CB C 3 28.826 28.099 0.727 1 1 29 . 2 1 1 A 3 3 TRP N N 3 119.557 117.631 1.926 1 1 30 . 2 1 1 A 4 4 LYS H H 4 8.281 7.437 0.844 1 1 31 . 2 1 1 A 4 4 LYS HA H 4 4.286 3.963 0.323 1 1 43 . 2 1 1 A 4 4 LYS CB C 4 32.295 31.808 0.487 1 1 46 . 2 1 1 A 4 4 LYS N N 4 122.295 122.309 -0.014 1 1 47 . 2 1 1 A 5 5 ASN H H 5 8.283 8.208 0.075 1 1 48 . 2 1 1 A 5 5 ASN HA H 5 4.279 4.552 -0.273 1 1 53 . 2 1 1 A 5 5 ASN CB C 5 37.837 38.891 -1.054 1 1 54 . 2 1 1 A 5 5 ASN N N 5 117.820 117.617 0.203 1 1 56 . 2 1 1 A 6 6 PHE H H 6 8.286 8.003 0.283 1 1 57 . 2 1 1 A 6 6 PHE HA H 6 4.291 4.159 0.132 1 1 65 . 2 1 1 A 6 6 PHE CB C 6 39.221 39.656 -0.435 1 1 70 . 2 1 1 A 7 7 TRP H H 7 8.297 8.683 -0.386 1 1 71 . 2 1 1 A 7 7 TRP HA H 7 4.102 4.217 -0.115 1 1 80 . 2 1 1 A 7 7 TRP CB C 7 29.767 29.255 0.512 1 1 86 . 2 1 1 A 7 7 TRP N N 7 119.790 119.447 0.343 1 1 87 . 2 1 1 A 8 8 SER H H 8 8.301 8.262 0.039 1 1 88 . 2 1 1 A 8 8 SER HA H 8 4.292 4.382 -0.090 1 1 91 . 2 1 1 A 8 8 SER CA C 8 61.099 61.498 -0.399 1 1 92 . 2 1 1 A 8 8 SER CB C 8 62.792 62.547 0.245 1 1 93 . 2 1 1 A 8 8 SER N N 8 112.802 116.377 -3.575 1 1 94 . 2 1 1 A 9 9 SER H H 9 7.860 8.160 -0.300 1 1 95 . 2 1 1 A 9 9 SER HA H 9 4.170 4.253 -0.083 1 1 98 . 2 1 1 A 9 9 SER CA C 9 62.101 60.910 1.191 1 1 99 . 2 1 1 A 9 9 SER CB C 9 62.878 63.209 -0.331 1 1 100 . 2 1 1 A 9 9 SER N N 9 117.763 117.507 0.256 1 1 101 . 2 1 1 A 10 10 LEU H H 10 7.955 7.494 0.461 1 1 102 . 2 1 1 A 10 10 LEU HA H 10 3.883 3.947 -0.064 1 1 112 . 2 1 1 A 10 10 LEU CA C 10 57.879 57.371 0.508 1 1 113 . 2 1 1 A 10 10 LEU CB C 10 41.678 41.991 -0.313 1 1 117 . 2 1 1 A 10 10 LEU N N 10 123.815 121.613 2.202 1 1 118 . 2 1 1 A 11 11 ARG H H 11 8.002 8.056 -0.054 1 1 119 . 2 1 1 A 11 11 ARG HA H 11 3.703 4.264 -0.561 1 1 127 . 2 1 1 A 11 11 ARG CA C 11 59.438 59.054 0.384 1 1 128 . 2 1 1 A 11 11 ARG CB C 11 30.468 30.059 0.409 1 1 131 . 2 1 1 A 11 11 ARG N N 11 117.843 118.727 -0.884 1 1 132 . 2 1 1 A 12 12 LYS H H 12 7.721 8.464 -0.743 1 1 133 . 2 1 1 A 12 12 LYS HA H 12 4.083 4.158 -0.075 1 1 145 . 2 1 1 A 12 12 LYS CA C 12 58.953 58.889 0.064 1 1 146 . 2 1 1 A 12 12 LYS CB C 12 32.476 32.293 0.183 1 1 149 . 2 1 1 A 12 12 LYS N N 12 117.972 118.732 -0.760 1 1 150 . 2 1 1 A 13 13 GLY H H 13 8.124 8.022 0.102 1 1 151 . 2 1 1 A 13 13 GLY HA2 H 13 3.639 3.592 0.047 1 1 152 . 2 1 1 A 13 13 GLY HA3 H 13 3.639 3.724 -0.085 1 1 153 . 2 1 1 A 13 13 GLY CA C 13 46.415 46.580 -0.165 1 1 154 . 2 1 1 A 13 13 GLY N N 13 106.124 108.595 -2.471 1 1 155 . 2 1 1 A 14 14 PHE H H 14 8.162 7.884 0.278 1 1 156 . 2 1 1 A 14 14 PHE HA H 14 4.263 4.620 -0.357 1 1 164 . 2 1 1 A 14 14 PHE CA C 14 60.406 60.099 0.307 1 1 165 . 2 1 1 A 14 14 PHE CB C 14 39.421 38.913 0.508 1 1 169 . 2 1 1 A 14 14 PHE N N 14 120.405 121.279 -0.874 1 1 170 . 2 1 1 A 15 15 TYR H H 15 8.064 8.211 -0.147 1 1 171 . 2 1 1 A 15 15 TYR HA H 15 4.257 4.326 -0.069 1 1 178 . 2 1 1 A 15 15 TYR CB C 15 38.110 37.559 0.551 1 1 183 . 2 1 1 A 15 15 TYR N N 15 117.269 119.556 -2.287 1 1 184 . 2 1 1 A 16 16 ASP H H 16 8.308 8.176 0.132 1 1 185 . 2 1 1 A 16 16 ASP HA H 16 4.622 4.547 0.075 1 1 188 . 2 1 1 A 16 16 ASP CB C 16 42.115 41.293 0.822 1 1 189 . 2 1 1 A 16 16 ASP N N 16 119.842 119.415 0.427 1 1 190 . 2 1 1 A 17 17 GLY H H 17 7.907 7.708 0.199 1 1 191 . 2 1 1 A 17 17 GLY HA2 H 17 3.960 4.055 -0.095 1 1 192 . 2 1 1 A 17 17 GLY HA3 H 17 3.960 4.059 -0.099 1 1 193 . 2 1 1 A 17 17 GLY CA C 17 46.040 45.529 0.511 1 1 194 . 2 1 1 A 17 17 GLY N N 17 107.867 106.137 1.730 1 1 195 . 2 1 1 A 18 18 GLU H H 18 8.221 8.527 -0.306 1 1 196 . 2 1 1 A 18 18 GLU HA H 18 4.096 4.185 -0.089 1 1 201 . 2 1 1 A 18 18 GLU CA C 18 57.759 59.761 -2.002 1 1 202 . 2 1 1 A 18 18 GLU CB C 18 28.496 29.165 -0.669 1 1 204 . 2 1 1 A 18 18 GLU N N 18 119.944 121.468 -1.524 1 1 205 . 2 1 1 A 19 19 ALA H H 19 8.230 8.255 -0.025 1 1 206 . 2 1 1 A 19 19 ALA HA H 19 4.063 4.013 0.050 1 1 210 . 2 1 1 A 19 19 ALA CA C 19 54.338 54.997 -0.659 1 1 211 . 2 1 1 A 19 19 ALA CB C 19 18.409 18.294 0.115 1 1 212 . 2 1 1 A 19 19 ALA N N 19 121.362 122.843 -1.481 1 1 213 . 2 1 1 A 20 20 GLY H H 20 8.124 7.860 0.264 1 1 214 . 2 1 1 A 20 20 GLY HA2 H 20 3.770 4.033 -0.263 1 1 215 . 2 1 1 A 20 20 GLY HA3 H 20 3.886 4.044 -0.158 1 1 216 . 2 1 1 A 20 20 GLY CA C 20 46.232 46.194 0.038 1 1 217 . 2 1 1 A 20 20 GLY N N 20 104.759 105.626 -0.867 1 1 218 . 2 1 1 A 21 21 ARG H H 21 7.716 8.378 -0.662 1 1 219 . 2 1 1 A 21 21 ARG HA H 21 4.175 4.017 0.158 1 1 227 . 2 1 1 A 21 21 ARG CA C 21 57.374 59.220 -1.846 1 1 228 . 2 1 1 A 21 21 ARG CB C 21 30.682 29.935 0.747 1 1 231 . 2 1 1 A 21 21 ARG N N 21 119.056 122.154 -3.098 1 1 232 . 2 1 1 A 22 22 ALA H H 22 7.987 7.984 0.003 1 1 233 . 2 1 1 A 22 22 ALA HA H 22 4.220 4.149 0.071 1 1 237 . 2 1 1 A 22 22 ALA CA C 22 53.388 54.274 -0.886 1 1 238 . 2 1 1 A 22 22 ALA CB C 22 19.076 18.546 0.530 1 1 239 . 2 1 1 A 22 22 ALA N N 22 121.794 120.417 1.377 1 1 240 . 2 1 1 A 23 23 ILE H H 23 7.655 7.639 0.016 1 1 241 . 2 1 1 A 23 23 ILE HA H 23 4.105 3.975 0.130 1 1 251 . 2 1 1 A 23 23 ILE CA C 23 61.413 62.720 -1.307 1 1 252 . 2 1 1 A 23 23 ILE CB C 23 38.576 38.043 0.533 1 1 256 . 2 1 1 A 23 23 ILE N N 23 115.088 117.067 -1.979 1 1 257 . 2 1 1 A 24 24 ARG H H 24 7.829 7.621 0.208 1 1 258 . 2 1 1 A 24 24 ARG HA H 24 4.344 3.952 0.392 1 1 266 . 2 1 1 A 24 24 ARG CA C 24 55.897 57.361 -1.464 1 1 267 . 2 1 1 A 24 24 ARG CB C 24 30.663 27.016 3.647 1 1 270 . 2 1 1 A 24 24 ARG N N 24 121.629 118.239 3.390 1 1 4 . 3 1 1 A 2 2 ALA H H 2 8.989 8.918 0.071 1 1 5 . 3 1 1 A 2 2 ALA HA H 2 4.281 4.014 0.267 1 1 9 . 3 1 1 A 2 2 ALA CA C 2 52.821 54.107 -1.286 1 1 10 . 3 1 1 A 2 2 ALA CB C 2 19.251 18.395 0.856 1 1 11 . 3 1 1 A 2 2 ALA N N 2 124.571 122.400 2.171 1 1 12 . 3 1 1 A 3 3 TRP H H 3 8.728 8.305 0.423 1 1 13 . 3 1 1 A 3 3 TRP HA H 3 4.564 4.557 0.007 1 1 22 . 3 1 1 A 3 3 TRP CB C 3 28.826 28.149 0.677 1 1 29 . 3 1 1 A 3 3 TRP N N 3 119.557 118.104 1.453 1 1 30 . 3 1 1 A 4 4 LYS H H 4 8.281 7.241 1.040 1 1 31 . 3 1 1 A 4 4 LYS HA H 4 4.286 3.771 0.515 1 1 43 . 3 1 1 A 4 4 LYS CB C 4 32.295 31.677 0.618 1 1 46 . 3 1 1 A 4 4 LYS N N 4 122.295 118.460 3.835 1 1 47 . 3 1 1 A 5 5 ASN H H 5 8.283 7.958 0.325 1 1 48 . 3 1 1 A 5 5 ASN HA H 5 4.279 4.494 -0.215 1 1 53 . 3 1 1 A 5 5 ASN CB C 5 37.837 38.458 -0.621 1 1 54 . 3 1 1 A 5 5 ASN N N 5 117.820 118.496 -0.676 1 1 56 . 3 1 1 A 6 6 PHE H H 6 8.286 8.053 0.233 1 1 57 . 3 1 1 A 6 6 PHE HA H 6 4.291 4.173 0.118 1 1 65 . 3 1 1 A 6 6 PHE CB C 6 39.221 39.551 -0.330 1 1 70 . 3 1 1 A 7 7 TRP H H 7 8.297 8.640 -0.343 1 1 71 . 3 1 1 A 7 7 TRP HA H 7 4.102 4.163 -0.061 1 1 80 . 3 1 1 A 7 7 TRP CB C 7 29.767 29.366 0.401 1 1 86 . 3 1 1 A 7 7 TRP N N 7 119.790 119.392 0.398 1 1 87 . 3 1 1 A 8 8 SER H H 8 8.301 8.245 0.056 1 1 88 . 3 1 1 A 8 8 SER HA H 8 4.292 4.037 0.255 1 1 91 . 3 1 1 A 8 8 SER CA C 8 61.099 61.749 -0.650 1 1 92 . 3 1 1 A 8 8 SER CB C 8 62.792 62.932 -0.140 1 1 93 . 3 1 1 A 8 8 SER N N 8 112.802 115.259 -2.457 1 1 94 . 3 1 1 A 9 9 SER H H 9 7.860 7.748 0.112 1 1 95 . 3 1 1 A 9 9 SER HA H 9 4.170 4.125 0.045 1 1 98 . 3 1 1 A 9 9 SER CA C 9 62.101 61.479 0.622 1 1 99 . 3 1 1 A 9 9 SER CB C 9 62.878 63.010 -0.132 1 1 100 . 3 1 1 A 9 9 SER N N 9 117.763 115.705 2.058 1 1 101 . 3 1 1 A 10 10 LEU H H 10 7.955 7.575 0.380 1 1 102 . 3 1 1 A 10 10 LEU HA H 10 3.883 4.032 -0.149 1 1 112 . 3 1 1 A 10 10 LEU CA C 10 57.879 56.628 1.251 1 1 113 . 3 1 1 A 10 10 LEU CB C 10 41.678 41.838 -0.160 1 1 117 . 3 1 1 A 10 10 LEU N N 10 123.815 122.832 0.983 1 1 118 . 3 1 1 A 11 11 ARG H H 11 8.002 8.709 -0.707 1 1 119 . 3 1 1 A 11 11 ARG HA H 11 3.703 4.091 -0.388 1 1 127 . 3 1 1 A 11 11 ARG CA C 11 59.438 60.389 -0.951 1 1 128 . 3 1 1 A 11 11 ARG CB C 11 30.468 29.889 0.579 1 1 131 . 3 1 1 A 11 11 ARG N N 11 117.843 119.167 -1.324 1 1 132 . 3 1 1 A 12 12 LYS H H 12 7.721 7.672 0.049 1 1 133 . 3 1 1 A 12 12 LYS HA H 12 4.083 4.003 0.080 1 1 145 . 3 1 1 A 12 12 LYS CA C 12 58.953 59.045 -0.092 1 1 146 . 3 1 1 A 12 12 LYS CB C 12 32.476 32.199 0.277 1 1 149 . 3 1 1 A 12 12 LYS N N 12 117.972 118.841 -0.869 1 1 150 . 3 1 1 A 13 13 GLY H H 13 8.124 8.037 0.087 1 1 151 . 3 1 1 A 13 13 GLY HA2 H 13 3.639 3.581 0.058 1 1 152 . 3 1 1 A 13 13 GLY HA3 H 13 3.639 3.673 -0.034 1 1 153 . 3 1 1 A 13 13 GLY CA C 13 46.415 47.009 -0.594 1 1 154 . 3 1 1 A 13 13 GLY N N 13 106.124 108.279 -2.155 1 1 155 . 3 1 1 A 14 14 PHE H H 14 8.162 8.118 0.044 1 1 156 . 3 1 1 A 14 14 PHE HA H 14 4.263 4.715 -0.452 1 1 164 . 3 1 1 A 14 14 PHE CA C 14 60.406 59.889 0.517 1 1 165 . 3 1 1 A 14 14 PHE CB C 14 39.421 39.101 0.320 1 1 169 . 3 1 1 A 14 14 PHE N N 14 120.405 121.331 -0.926 1 1 170 . 3 1 1 A 15 15 TYR H H 15 8.064 8.443 -0.379 1 1 171 . 3 1 1 A 15 15 TYR HA H 15 4.257 4.367 -0.110 1 1 178 . 3 1 1 A 15 15 TYR CB C 15 38.110 37.400 0.710 1 1 183 . 3 1 1 A 15 15 TYR N N 15 117.269 118.631 -1.362 1 1 184 . 3 1 1 A 16 16 ASP H H 16 8.308 8.222 0.086 1 1 185 . 3 1 1 A 16 16 ASP HA H 16 4.622 4.586 0.036 1 1 188 . 3 1 1 A 16 16 ASP CB C 16 42.115 41.331 0.784 1 1 189 . 3 1 1 A 16 16 ASP N N 16 119.842 119.672 0.170 1 1 190 . 3 1 1 A 17 17 GLY H H 17 7.907 7.719 0.188 1 1 191 . 3 1 1 A 17 17 GLY HA2 H 17 3.960 4.030 -0.070 1 1 192 . 3 1 1 A 17 17 GLY HA3 H 17 3.960 4.031 -0.071 1 1 193 . 3 1 1 A 17 17 GLY CA C 17 46.040 45.522 0.518 1 1 194 . 3 1 1 A 17 17 GLY N N 17 107.867 106.122 1.745 1 1 195 . 3 1 1 A 18 18 GLU H H 18 8.221 8.487 -0.266 1 1 196 . 3 1 1 A 18 18 GLU HA H 18 4.096 4.164 -0.068 1 1 201 . 3 1 1 A 18 18 GLU CA C 18 57.759 59.712 -1.953 1 1 202 . 3 1 1 A 18 18 GLU CB C 18 28.496 29.080 -0.584 1 1 204 . 3 1 1 A 18 18 GLU N N 18 119.944 121.395 -1.451 1 1 205 . 3 1 1 A 19 19 ALA H H 19 8.230 8.381 -0.151 1 1 206 . 3 1 1 A 19 19 ALA HA H 19 4.063 4.336 -0.273 1 1 210 . 3 1 1 A 19 19 ALA CA C 19 54.338 55.200 -0.862 1 1 211 . 3 1 1 A 19 19 ALA CB C 19 18.409 18.502 -0.093 1 1 212 . 3 1 1 A 19 19 ALA N N 19 121.362 122.754 -1.392 1 1 213 . 3 1 1 A 20 20 GLY H H 20 8.124 7.918 0.206 1 1 214 . 3 1 1 A 20 20 GLY HA2 H 20 3.770 4.060 -0.290 1 1 215 . 3 1 1 A 20 20 GLY HA3 H 20 3.886 4.070 -0.184 1 1 216 . 3 1 1 A 20 20 GLY CA C 20 46.232 45.980 0.252 1 1 217 . 3 1 1 A 20 20 GLY N N 20 104.759 105.497 -0.738 1 1 218 . 3 1 1 A 21 21 ARG H H 21 7.716 8.546 -0.830 1 1 219 . 3 1 1 A 21 21 ARG HA H 21 4.175 4.030 0.145 1 1 227 . 3 1 1 A 21 21 ARG CA C 21 57.374 58.789 -1.415 1 1 228 . 3 1 1 A 21 21 ARG CB C 21 30.682 30.140 0.542 1 1 231 . 3 1 1 A 21 21 ARG N N 21 119.056 122.114 -3.058 1 1 232 . 3 1 1 A 22 22 ALA H H 22 7.987 7.964 0.023 1 1 233 . 3 1 1 A 22 22 ALA HA H 22 4.220 4.188 0.032 1 1 237 . 3 1 1 A 22 22 ALA CA C 22 53.388 54.287 -0.899 1 1 238 . 3 1 1 A 22 22 ALA CB C 22 19.076 18.612 0.464 1 1 239 . 3 1 1 A 22 22 ALA N N 22 121.794 121.407 0.387 1 1 240 . 3 1 1 A 23 23 ILE H H 23 7.655 7.985 -0.330 1 1 241 . 3 1 1 A 23 23 ILE HA H 23 4.105 4.022 0.083 1 1 251 . 3 1 1 A 23 23 ILE CA C 23 61.413 63.274 -1.861 1 1 252 . 3 1 1 A 23 23 ILE CB C 23 38.576 37.917 0.659 1 1 256 . 3 1 1 A 23 23 ILE N N 23 115.088 116.447 -1.359 1 1 257 . 3 1 1 A 24 24 ARG H H 24 7.829 7.847 -0.018 1 1 258 . 3 1 1 A 24 24 ARG HA H 24 4.344 3.886 0.458 1 1 266 . 3 1 1 A 24 24 ARG CA C 24 55.897 57.061 -1.164 1 1 267 . 3 1 1 A 24 24 ARG CB C 24 30.663 27.802 2.861 1 1 270 . 3 1 1 A 24 24 ARG N N 24 121.629 118.519 3.110 1 1 4 . 4 1 1 A 2 2 ALA H H 2 8.989 8.339 0.650 1 1 5 . 4 1 1 A 2 2 ALA HA H 2 4.281 4.394 -0.113 1 1 9 . 4 1 1 A 2 2 ALA CA C 2 52.821 52.714 0.107 1 1 10 . 4 1 1 A 2 2 ALA CB C 2 19.251 21.226 -1.975 1 1 11 . 4 1 1 A 2 2 ALA N N 2 124.571 120.315 4.256 1 1 12 . 4 1 1 A 3 3 TRP H H 3 8.728 8.442 0.286 1 1 13 . 4 1 1 A 3 3 TRP HA H 3 4.564 4.514 0.050 1 1 22 . 4 1 1 A 3 3 TRP CB C 3 28.826 28.104 0.722 1 1 29 . 4 1 1 A 3 3 TRP N N 3 119.557 117.628 1.929 1 1 30 . 4 1 1 A 4 4 LYS H H 4 8.281 7.471 0.810 1 1 31 . 4 1 1 A 4 4 LYS HA H 4 4.286 3.979 0.307 1 1 43 . 4 1 1 A 4 4 LYS CB C 4 32.295 31.689 0.606 1 1 46 . 4 1 1 A 4 4 LYS N N 4 122.295 118.987 3.308 1 1 47 . 4 1 1 A 5 5 ASN H H 5 8.283 8.171 0.112 1 1 48 . 4 1 1 A 5 5 ASN HA H 5 4.279 4.457 -0.178 1 1 53 . 4 1 1 A 5 5 ASN CB C 5 37.837 38.002 -0.165 1 1 54 . 4 1 1 A 5 5 ASN N N 5 117.820 118.523 -0.703 1 1 56 . 4 1 1 A 6 6 PHE H H 6 8.286 7.966 0.320 1 1 57 . 4 1 1 A 6 6 PHE HA H 6 4.291 4.182 0.109 1 1 65 . 4 1 1 A 6 6 PHE CB C 6 39.221 39.078 0.143 1 1 70 . 4 1 1 A 7 7 TRP H H 7 8.297 8.636 -0.339 1 1 71 . 4 1 1 A 7 7 TRP HA H 7 4.102 4.065 0.037 1 1 80 . 4 1 1 A 7 7 TRP CB C 7 29.767 29.333 0.434 1 1 86 . 4 1 1 A 7 7 TRP N N 7 119.790 119.398 0.392 1 1 87 . 4 1 1 A 8 8 SER H H 8 8.301 8.334 -0.033 1 1 88 . 4 1 1 A 8 8 SER HA H 8 4.292 4.100 0.192 1 1 91 . 4 1 1 A 8 8 SER CA C 8 61.099 61.654 -0.555 1 1 92 . 4 1 1 A 8 8 SER CB C 8 62.792 63.020 -0.228 1 1 93 . 4 1 1 A 8 8 SER N N 8 112.802 115.275 -2.473 1 1 94 . 4 1 1 A 9 9 SER H H 9 7.860 7.892 -0.032 1 1 95 . 4 1 1 A 9 9 SER HA H 9 4.170 4.168 0.002 1 1 98 . 4 1 1 A 9 9 SER CA C 9 62.101 61.474 0.627 1 1 99 . 4 1 1 A 9 9 SER CB C 9 62.878 63.010 -0.132 1 1 100 . 4 1 1 A 9 9 SER N N 9 117.763 115.751 2.012 1 1 101 . 4 1 1 A 10 10 LEU H H 10 7.955 7.653 0.302 1 1 102 . 4 1 1 A 10 10 LEU HA H 10 3.883 4.152 -0.269 1 1 112 . 4 1 1 A 10 10 LEU CA C 10 57.879 56.698 1.181 1 1 113 . 4 1 1 A 10 10 LEU CB C 10 41.678 41.817 -0.139 1 1 117 . 4 1 1 A 10 10 LEU N N 10 123.815 122.803 1.012 1 1 118 . 4 1 1 A 11 11 ARG H H 11 8.002 8.568 -0.566 1 1 119 . 4 1 1 A 11 11 ARG HA H 11 3.703 3.967 -0.264 1 1 127 . 4 1 1 A 11 11 ARG CA C 11 59.438 60.414 -0.976 1 1 128 . 4 1 1 A 11 11 ARG CB C 11 30.468 30.010 0.458 1 1 131 . 4 1 1 A 11 11 ARG N N 11 117.843 119.207 -1.364 1 1 132 . 4 1 1 A 12 12 LYS H H 12 7.721 7.783 -0.062 1 1 133 . 4 1 1 A 12 12 LYS HA H 12 4.083 4.164 -0.081 1 1 145 . 4 1 1 A 12 12 LYS CA C 12 58.953 59.194 -0.241 1 1 146 . 4 1 1 A 12 12 LYS CB C 12 32.476 32.277 0.199 1 1 149 . 4 1 1 A 12 12 LYS N N 12 117.972 118.858 -0.886 1 1 150 . 4 1 1 A 13 13 GLY H H 13 8.124 8.130 -0.006 1 1 151 . 4 1 1 A 13 13 GLY HA2 H 13 3.639 3.769 -0.130 1 1 152 . 4 1 1 A 13 13 GLY HA3 H 13 3.639 3.793 -0.154 1 1 153 . 4 1 1 A 13 13 GLY CA C 13 46.415 47.150 -0.735 1 1 154 . 4 1 1 A 13 13 GLY N N 13 106.124 108.448 -2.324 1 1 155 . 4 1 1 A 14 14 PHE H H 14 8.162 8.362 -0.200 1 1 156 . 4 1 1 A 14 14 PHE HA H 14 4.263 4.627 -0.364 1 1 164 . 4 1 1 A 14 14 PHE CA C 14 60.406 59.762 0.644 1 1 165 . 4 1 1 A 14 14 PHE CB C 14 39.421 39.028 0.393 1 1 169 . 4 1 1 A 14 14 PHE N N 14 120.405 121.285 -0.880 1 1 170 . 4 1 1 A 15 15 TYR H H 15 8.064 8.367 -0.303 1 1 171 . 4 1 1 A 15 15 TYR HA H 15 4.257 4.479 -0.222 1 1 178 . 4 1 1 A 15 15 TYR CB C 15 38.110 37.466 0.644 1 1 183 . 4 1 1 A 15 15 TYR N N 15 117.269 119.040 -1.771 1 1 184 . 4 1 1 A 16 16 ASP H H 16 8.308 7.758 0.550 1 1 185 . 4 1 1 A 16 16 ASP HA H 16 4.622 4.599 0.023 1 1 188 . 4 1 1 A 16 16 ASP CB C 16 42.115 41.245 0.870 1 1 189 . 4 1 1 A 16 16 ASP N N 16 119.842 120.177 -0.335 1 1 190 . 4 1 1 A 17 17 GLY H H 17 7.907 7.498 0.409 1 1 191 . 4 1 1 A 17 17 GLY HA2 H 17 3.960 4.001 -0.041 1 1 192 . 4 1 1 A 17 17 GLY HA3 H 17 3.960 4.013 -0.053 1 1 193 . 4 1 1 A 17 17 GLY CA C 17 46.040 45.499 0.541 1 1 194 . 4 1 1 A 17 17 GLY N N 17 107.867 106.260 1.607 1 1 195 . 4 1 1 A 18 18 GLU H H 18 8.221 8.354 -0.133 1 1 196 . 4 1 1 A 18 18 GLU HA H 18 4.096 3.901 0.195 1 1 201 . 4 1 1 A 18 18 GLU CA C 18 57.759 59.537 -1.778 1 1 202 . 4 1 1 A 18 18 GLU CB C 18 28.496 28.753 -0.257 1 1 204 . 4 1 1 A 18 18 GLU N N 18 119.944 121.191 -1.247 1 1 205 . 4 1 1 A 19 19 ALA H H 19 8.230 7.946 0.284 1 1 206 . 4 1 1 A 19 19 ALA HA H 19 4.063 4.124 -0.061 1 1 210 . 4 1 1 A 19 19 ALA CA C 19 54.338 54.988 -0.650 1 1 211 . 4 1 1 A 19 19 ALA CB C 19 18.409 18.522 -0.113 1 1 212 . 4 1 1 A 19 19 ALA N N 19 121.362 122.176 -0.814 1 1 213 . 4 1 1 A 20 20 GLY H H 20 8.124 7.999 0.125 1 1 214 . 4 1 1 A 20 20 GLY HA2 H 20 3.770 4.068 -0.298 1 1 215 . 4 1 1 A 20 20 GLY HA3 H 20 3.886 4.070 -0.184 1 1 216 . 4 1 1 A 20 20 GLY CA C 20 46.232 45.685 0.547 1 1 217 . 4 1 1 A 20 20 GLY N N 20 104.759 105.666 -0.907 1 1 218 . 4 1 1 A 21 21 ARG H H 21 7.716 8.364 -0.648 1 1 219 . 4 1 1 A 21 21 ARG HA H 21 4.175 4.134 0.041 1 1 227 . 4 1 1 A 21 21 ARG CA C 21 57.374 58.700 -1.326 1 1 228 . 4 1 1 A 21 21 ARG CB C 21 30.682 29.705 0.977 1 1 231 . 4 1 1 A 21 21 ARG N N 21 119.056 121.958 -2.902 1 1 232 . 4 1 1 A 22 22 ALA H H 22 7.987 7.745 0.242 1 1 233 . 4 1 1 A 22 22 ALA HA H 22 4.220 4.094 0.126 1 1 237 . 4 1 1 A 22 22 ALA CA C 22 53.388 54.151 -0.763 1 1 238 . 4 1 1 A 22 22 ALA CB C 22 19.076 18.270 0.806 1 1 239 . 4 1 1 A 22 22 ALA N N 22 121.794 121.109 0.685 1 1 240 . 4 1 1 A 23 23 ILE H H 23 7.655 7.039 0.616 1 1 241 . 4 1 1 A 23 23 ILE HA H 23 4.105 4.158 -0.053 1 1 251 . 4 1 1 A 23 23 ILE CA C 23 61.413 60.880 0.533 1 1 252 . 4 1 1 A 23 23 ILE CB C 23 38.576 37.937 0.639 1 1 256 . 4 1 1 A 23 23 ILE N N 23 115.088 115.124 -0.036 1 1 257 . 4 1 1 A 24 24 ARG H H 24 7.829 8.156 -0.327 1 1 258 . 4 1 1 A 24 24 ARG HA H 24 4.344 3.932 0.412 1 1 266 . 4 1 1 A 24 24 ARG CA C 24 55.897 57.298 -1.401 1 1 267 . 4 1 1 A 24 24 ARG CB C 24 30.663 26.881 3.782 1 1 270 . 4 1 1 A 24 24 ARG N N 24 121.629 118.760 2.869 1 1 4 . 5 1 1 A 2 2 ALA H H 2 8.989 8.533 0.456 1 1 5 . 5 1 1 A 2 2 ALA HA H 2 4.281 3.999 0.282 1 1 9 . 5 1 1 A 2 2 ALA CA C 2 52.821 54.257 -1.436 1 1 10 . 5 1 1 A 2 2 ALA CB C 2 19.251 18.551 0.700 1 1 11 . 5 1 1 A 2 2 ALA N N 2 124.571 126.087 -1.516 1 1 12 . 5 1 1 A 3 3 TRP H H 3 8.728 8.294 0.434 1 1 13 . 5 1 1 A 3 3 TRP HA H 3 4.564 4.544 0.020 1 1 22 . 5 1 1 A 3 3 TRP CB C 3 28.826 28.137 0.689 1 1 29 . 5 1 1 A 3 3 TRP N N 3 119.557 118.095 1.462 1 1 30 . 5 1 1 A 4 4 LYS H H 4 8.281 7.235 1.046 1 1 31 . 5 1 1 A 4 4 LYS HA H 4 4.286 3.778 0.508 1 1 43 . 5 1 1 A 4 4 LYS CB C 4 32.295 31.658 0.637 1 1 46 . 5 1 1 A 4 4 LYS N N 4 122.295 118.456 3.839 1 1 47 . 5 1 1 A 5 5 ASN H H 5 8.283 7.958 0.325 1 1 48 . 5 1 1 A 5 5 ASN HA H 5 4.279 4.502 -0.223 1 1 53 . 5 1 1 A 5 5 ASN CB C 5 37.837 38.438 -0.601 1 1 54 . 5 1 1 A 5 5 ASN N N 5 117.820 118.499 -0.679 1 1 56 . 5 1 1 A 6 6 PHE H H 6 8.286 8.046 0.240 1 1 57 . 5 1 1 A 6 6 PHE HA H 6 4.291 4.170 0.121 1 1 65 . 5 1 1 A 6 6 PHE CB C 6 39.221 39.470 -0.249 1 1 70 . 5 1 1 A 7 7 TRP H H 7 8.297 8.619 -0.322 1 1 71 . 5 1 1 A 7 7 TRP HA H 7 4.102 4.083 0.019 1 1 80 . 5 1 1 A 7 7 TRP CB C 7 29.767 29.324 0.443 1 1 86 . 5 1 1 A 7 7 TRP N N 7 119.790 119.365 0.425 1 1 87 . 5 1 1 A 8 8 SER H H 8 8.301 8.240 0.061 1 1 88 . 5 1 1 A 8 8 SER HA H 8 4.292 4.077 0.215 1 1 91 . 5 1 1 A 8 8 SER CA C 8 61.099 61.772 -0.673 1 1 92 . 5 1 1 A 8 8 SER CB C 8 62.792 62.965 -0.173 1 1 93 . 5 1 1 A 8 8 SER N N 8 112.802 115.252 -2.450 1 1 94 . 5 1 1 A 9 9 SER H H 9 7.860 7.761 0.099 1 1 95 . 5 1 1 A 9 9 SER HA H 9 4.170 4.162 0.008 1 1 98 . 5 1 1 A 9 9 SER CA C 9 62.101 61.506 0.595 1 1 99 . 5 1 1 A 9 9 SER CB C 9 62.878 63.029 -0.151 1 1 100 . 5 1 1 A 9 9 SER N N 9 117.763 115.722 2.041 1 1 101 . 5 1 1 A 10 10 LEU H H 10 7.955 7.544 0.411 1 1 102 . 5 1 1 A 10 10 LEU HA H 10 3.883 4.145 -0.262 1 1 112 . 5 1 1 A 10 10 LEU CA C 10 57.879 56.625 1.254 1 1 113 . 5 1 1 A 10 10 LEU CB C 10 41.678 41.689 -0.011 1 1 117 . 5 1 1 A 10 10 LEU N N 10 123.815 122.830 0.985 1 1 118 . 5 1 1 A 11 11 ARG H H 11 8.002 8.642 -0.640 1 1 119 . 5 1 1 A 11 11 ARG HA H 11 3.703 3.886 -0.183 1 1 127 . 5 1 1 A 11 11 ARG CA C 11 59.438 60.367 -0.929 1 1 128 . 5 1 1 A 11 11 ARG CB C 11 30.468 29.994 0.474 1 1 131 . 5 1 1 A 11 11 ARG N N 11 117.843 119.085 -1.242 1 1 132 . 5 1 1 A 12 12 LYS H H 12 7.721 7.768 -0.047 1 1 133 . 5 1 1 A 12 12 LYS HA H 12 4.083 4.212 -0.129 1 1 145 . 5 1 1 A 12 12 LYS CA C 12 58.953 59.195 -0.242 1 1 146 . 5 1 1 A 12 12 LYS CB C 12 32.476 32.328 0.148 1 1 149 . 5 1 1 A 12 12 LYS N N 12 117.972 118.995 -1.023 1 1 150 . 5 1 1 A 13 13 GLY H H 13 8.124 8.150 -0.026 1 1 151 . 5 1 1 A 13 13 GLY HA2 H 13 3.639 3.792 -0.153 1 1 152 . 5 1 1 A 13 13 GLY HA3 H 13 3.639 3.829 -0.190 1 1 153 . 5 1 1 A 13 13 GLY CA C 13 46.415 47.166 -0.751 1 1 154 . 5 1 1 A 13 13 GLY N N 13 106.124 108.494 -2.370 1 1 155 . 5 1 1 A 14 14 PHE H H 14 8.162 8.421 -0.259 1 1 156 . 5 1 1 A 14 14 PHE HA H 14 4.263 4.621 -0.358 1 1 164 . 5 1 1 A 14 14 PHE CA C 14 60.406 59.835 0.571 1 1 165 . 5 1 1 A 14 14 PHE CB C 14 39.421 38.703 0.718 1 1 169 . 5 1 1 A 14 14 PHE N N 14 120.405 121.280 -0.875 1 1 170 . 5 1 1 A 15 15 TYR H H 15 8.064 8.261 -0.197 1 1 171 . 5 1 1 A 15 15 TYR HA H 15 4.257 4.368 -0.111 1 1 178 . 5 1 1 A 15 15 TYR CB C 15 38.110 37.382 0.728 1 1 183 . 5 1 1 A 15 15 TYR N N 15 117.269 119.182 -1.913 1 1 184 . 5 1 1 A 16 16 ASP H H 16 8.308 8.178 0.130 1 1 185 . 5 1 1 A 16 16 ASP HA H 16 4.622 4.593 0.029 1 1 188 . 5 1 1 A 16 16 ASP CB C 16 42.115 41.337 0.778 1 1 189 . 5 1 1 A 16 16 ASP N N 16 119.842 119.502 0.340 1 1 190 . 5 1 1 A 17 17 GLY H H 17 7.907 7.619 0.288 1 1 191 . 5 1 1 A 17 17 GLY HA2 H 17 3.960 4.008 -0.048 1 1 192 . 5 1 1 A 17 17 GLY HA3 H 17 3.960 4.025 -0.065 1 1 193 . 5 1 1 A 17 17 GLY CA C 17 46.040 45.490 0.550 1 1 194 . 5 1 1 A 17 17 GLY N N 17 107.867 106.165 1.702 1 1 195 . 5 1 1 A 18 18 GLU H H 18 8.221 8.371 -0.150 1 1 196 . 5 1 1 A 18 18 GLU HA H 18 4.096 4.000 0.096 1 1 201 . 5 1 1 A 18 18 GLU CA C 18 57.759 59.209 -1.450 1 1 202 . 5 1 1 A 18 18 GLU CB C 18 28.496 29.013 -0.517 1 1 204 . 5 1 1 A 18 18 GLU N N 18 119.944 121.194 -1.250 1 1 205 . 5 1 1 A 19 19 ALA H H 19 8.230 7.867 0.363 1 1 206 . 5 1 1 A 19 19 ALA HA H 19 4.063 4.266 -0.203 1 1 210 . 5 1 1 A 19 19 ALA CA C 19 54.338 55.176 -0.838 1 1 211 . 5 1 1 A 19 19 ALA CB C 19 18.409 18.534 -0.125 1 1 212 . 5 1 1 A 19 19 ALA N N 19 121.362 122.319 -0.957 1 1 213 . 5 1 1 A 20 20 GLY H H 20 8.124 7.821 0.303 1 1 214 . 5 1 1 A 20 20 GLY HA2 H 20 3.770 4.117 -0.347 1 1 215 . 5 1 1 A 20 20 GLY HA3 H 20 3.886 4.119 -0.233 1 1 216 . 5 1 1 A 20 20 GLY CA C 20 46.232 45.819 0.413 1 1 217 . 5 1 1 A 20 20 GLY N N 20 104.759 105.176 -0.417 1 1 218 . 5 1 1 A 21 21 ARG H H 21 7.716 8.257 -0.541 1 1 219 . 5 1 1 A 21 21 ARG HA H 21 4.175 4.040 0.135 1 1 227 . 5 1 1 A 21 21 ARG CA C 21 57.374 58.548 -1.174 1 1 228 . 5 1 1 A 21 21 ARG CB C 21 30.682 29.944 0.738 1 1 231 . 5 1 1 A 21 21 ARG N N 21 119.056 121.836 -2.780 1 1 232 . 5 1 1 A 22 22 ALA H H 22 7.987 7.532 0.455 1 1 233 . 5 1 1 A 22 22 ALA HA H 22 4.220 4.020 0.200 1 1 237 . 5 1 1 A 22 22 ALA CA C 22 53.388 54.124 -0.736 1 1 238 . 5 1 1 A 22 22 ALA CB C 22 19.076 17.924 1.152 1 1 239 . 5 1 1 A 22 22 ALA N N 22 121.794 121.483 0.311 1 1 240 . 5 1 1 A 23 23 ILE H H 23 7.655 7.306 0.349 1 1 241 . 5 1 1 A 23 23 ILE HA H 23 4.105 4.170 -0.065 1 1 251 . 5 1 1 A 23 23 ILE CA C 23 61.413 60.877 0.536 1 1 252 . 5 1 1 A 23 23 ILE CB C 23 38.576 38.144 0.432 1 1 256 . 5 1 1 A 23 23 ILE N N 23 115.088 114.863 0.225 1 1 257 . 5 1 1 A 24 24 ARG H H 24 7.829 7.849 -0.020 1 1 258 . 5 1 1 A 24 24 ARG HA H 24 4.344 3.868 0.476 1 1 266 . 5 1 1 A 24 24 ARG CA C 24 55.897 57.096 -1.199 1 1 267 . 5 1 1 A 24 24 ARG CB C 24 30.663 27.908 2.755 1 1 270 . 5 1 1 A 24 24 ARG N N 24 121.629 119.139 2.490 1 1 4 . 6 1 1 A 2 2 ALA H H 2 8.989 8.555 0.434 1 1 5 . 6 1 1 A 2 2 ALA HA H 2 4.281 3.943 0.338 1 1 9 . 6 1 1 A 2 2 ALA CA C 2 52.821 54.226 -1.405 1 1 10 . 6 1 1 A 2 2 ALA CB C 2 19.251 18.445 0.806 1 1 11 . 6 1 1 A 2 2 ALA N N 2 124.571 126.782 -2.211 1 1 12 . 6 1 1 A 3 3 TRP H H 3 8.728 8.116 0.612 1 1 13 . 6 1 1 A 3 3 TRP HA H 3 4.564 4.582 -0.018 1 1 22 . 6 1 1 A 3 3 TRP CB C 3 28.826 28.161 0.665 1 1 29 . 6 1 1 A 3 3 TRP N N 3 119.557 118.103 1.454 1 1 30 . 6 1 1 A 4 4 LYS H H 4 8.281 7.252 1.029 1 1 31 . 6 1 1 A 4 4 LYS HA H 4 4.286 4.088 0.198 1 1 43 . 6 1 1 A 4 4 LYS CB C 4 32.295 31.804 0.491 1 1 46 . 6 1 1 A 4 4 LYS N N 4 122.295 118.910 3.385 1 1 47 . 6 1 1 A 5 5 ASN H H 5 8.283 8.139 0.144 1 1 48 . 6 1 1 A 5 5 ASN HA H 5 4.279 4.441 -0.162 1 1 53 . 6 1 1 A 5 5 ASN CB C 5 37.837 38.227 -0.390 1 1 54 . 6 1 1 A 5 5 ASN N N 5 117.820 118.562 -0.742 1 1 56 . 6 1 1 A 6 6 PHE H H 6 8.286 7.940 0.346 1 1 57 . 6 1 1 A 6 6 PHE HA H 6 4.291 4.265 0.026 1 1 65 . 6 1 1 A 6 6 PHE CB C 6 39.221 39.122 0.099 1 1 70 . 6 1 1 A 7 7 TRP H H 7 8.297 8.583 -0.286 1 1 71 . 6 1 1 A 7 7 TRP HA H 7 4.102 4.032 0.070 1 1 80 . 6 1 1 A 7 7 TRP CB C 7 29.767 29.362 0.405 1 1 86 . 6 1 1 A 7 7 TRP N N 7 119.790 119.286 0.504 1 1 87 . 6 1 1 A 8 8 SER H H 8 8.301 8.230 0.071 1 1 88 . 6 1 1 A 8 8 SER HA H 8 4.292 4.371 -0.079 1 1 91 . 6 1 1 A 8 8 SER CA C 8 61.099 61.491 -0.392 1 1 92 . 6 1 1 A 8 8 SER CB C 8 62.792 62.782 0.010 1 1 93 . 6 1 1 A 8 8 SER N N 8 112.802 116.273 -3.471 1 1 94 . 6 1 1 A 9 9 SER H H 9 7.860 7.614 0.246 1 1 95 . 6 1 1 A 9 9 SER HA H 9 4.170 4.309 -0.139 1 1 98 . 6 1 1 A 9 9 SER CA C 9 62.101 60.945 1.156 1 1 99 . 6 1 1 A 9 9 SER CB C 9 62.878 63.044 -0.166 1 1 100 . 6 1 1 A 9 9 SER N N 9 117.763 117.373 0.390 1 1 101 . 6 1 1 A 10 10 LEU H H 10 7.955 7.508 0.447 1 1 102 . 6 1 1 A 10 10 LEU HA H 10 3.883 4.224 -0.341 1 1 112 . 6 1 1 A 10 10 LEU CA C 10 57.879 57.383 0.496 1 1 113 . 6 1 1 A 10 10 LEU CB C 10 41.678 42.021 -0.343 1 1 117 . 6 1 1 A 10 10 LEU N N 10 123.815 120.770 3.045 1 1 118 . 6 1 1 A 11 11 ARG H H 11 8.002 8.005 -0.003 1 1 119 . 6 1 1 A 11 11 ARG HA H 11 3.703 4.398 -0.695 1 1 127 . 6 1 1 A 11 11 ARG CA C 11 59.438 58.491 0.947 1 1 128 . 6 1 1 A 11 11 ARG CB C 11 30.468 29.482 0.986 1 1 131 . 6 1 1 A 11 11 ARG N N 11 117.843 118.613 -0.770 1 1 132 . 6 1 1 A 12 12 LYS H H 12 7.721 7.684 0.037 1 1 133 . 6 1 1 A 12 12 LYS HA H 12 4.083 4.139 -0.056 1 1 145 . 6 1 1 A 12 12 LYS CA C 12 58.953 59.348 -0.395 1 1 146 . 6 1 1 A 12 12 LYS CB C 12 32.476 32.311 0.165 1 1 149 . 6 1 1 A 12 12 LYS N N 12 117.972 119.264 -1.292 1 1 150 . 6 1 1 A 13 13 GLY H H 13 8.124 8.224 -0.100 1 1 151 . 6 1 1 A 13 13 GLY HA2 H 13 3.639 3.791 -0.152 1 1 152 . 6 1 1 A 13 13 GLY HA3 H 13 3.639 3.872 -0.233 1 1 153 . 6 1 1 A 13 13 GLY CA C 13 46.415 46.524 -0.109 1 1 154 . 6 1 1 A 13 13 GLY N N 13 106.124 108.682 -2.558 1 1 155 . 6 1 1 A 14 14 PHE H H 14 8.162 8.166 -0.004 1 1 156 . 6 1 1 A 14 14 PHE HA H 14 4.263 4.581 -0.318 1 1 164 . 6 1 1 A 14 14 PHE CA C 14 60.406 59.818 0.588 1 1 165 . 6 1 1 A 14 14 PHE CB C 14 39.421 38.081 1.340 1 1 169 . 6 1 1 A 14 14 PHE N N 14 120.405 121.279 -0.874 1 1 170 . 6 1 1 A 15 15 TYR H H 15 8.064 8.509 -0.445 1 1 171 . 6 1 1 A 15 15 TYR HA H 15 4.257 4.391 -0.134 1 1 178 . 6 1 1 A 15 15 TYR CB C 15 38.110 37.879 0.231 1 1 183 . 6 1 1 A 15 15 TYR N N 15 117.269 120.221 -2.952 1 1 184 . 6 1 1 A 16 16 ASP H H 16 8.308 8.122 0.186 1 1 185 . 6 1 1 A 16 16 ASP HA H 16 4.622 4.616 0.006 1 1 188 . 6 1 1 A 16 16 ASP CB C 16 42.115 41.212 0.903 1 1 189 . 6 1 1 A 16 16 ASP N N 16 119.842 119.362 0.480 1 1 190 . 6 1 1 A 17 17 GLY H H 17 7.907 7.589 0.318 1 1 191 . 6 1 1 A 17 17 GLY HA2 H 17 3.960 4.033 -0.073 1 1 192 . 6 1 1 A 17 17 GLY HA3 H 17 3.960 4.048 -0.088 1 1 193 . 6 1 1 A 17 17 GLY CA C 17 46.040 45.542 0.498 1 1 194 . 6 1 1 A 17 17 GLY N N 17 107.867 106.282 1.585 1 1 195 . 6 1 1 A 18 18 GLU H H 18 8.221 8.439 -0.218 1 1 196 . 6 1 1 A 18 18 GLU HA H 18 4.096 4.068 0.028 1 1 201 . 6 1 1 A 18 18 GLU CA C 18 57.759 59.653 -1.894 1 1 202 . 6 1 1 A 18 18 GLU CB C 18 28.496 29.273 -0.777 1 1 204 . 6 1 1 A 18 18 GLU N N 18 119.944 121.321 -1.377 1 1 205 . 6 1 1 A 19 19 ALA H H 19 8.230 8.049 0.181 1 1 206 . 6 1 1 A 19 19 ALA HA H 19 4.063 4.324 -0.261 1 1 210 . 6 1 1 A 19 19 ALA CA C 19 54.338 55.161 -0.823 1 1 211 . 6 1 1 A 19 19 ALA CB C 19 18.409 18.444 -0.035 1 1 212 . 6 1 1 A 19 19 ALA N N 19 121.362 122.433 -1.071 1 1 213 . 6 1 1 A 20 20 GLY H H 20 8.124 8.054 0.070 1 1 214 . 6 1 1 A 20 20 GLY HA2 H 20 3.770 4.086 -0.316 1 1 215 . 6 1 1 A 20 20 GLY HA3 H 20 3.886 4.090 -0.204 1 1 216 . 6 1 1 A 20 20 GLY CA C 20 46.232 45.865 0.367 1 1 217 . 6 1 1 A 20 20 GLY N N 20 104.759 105.461 -0.702 1 1 218 . 6 1 1 A 21 21 ARG H H 21 7.716 8.528 -0.812 1 1 219 . 6 1 1 A 21 21 ARG HA H 21 4.175 4.025 0.150 1 1 227 . 6 1 1 A 21 21 ARG CA C 21 57.374 58.727 -1.353 1 1 228 . 6 1 1 A 21 21 ARG CB C 21 30.682 29.986 0.696 1 1 231 . 6 1 1 A 21 21 ARG N N 21 119.056 122.079 -3.023 1 1 232 . 6 1 1 A 22 22 ALA H H 22 7.987 7.364 0.623 1 1 233 . 6 1 1 A 22 22 ALA HA H 22 4.220 4.153 0.067 1 1 237 . 6 1 1 A 22 22 ALA CA C 22 53.388 54.047 -0.659 1 1 238 . 6 1 1 A 22 22 ALA CB C 22 19.076 18.367 0.709 1 1 239 . 6 1 1 A 22 22 ALA N N 22 121.794 121.034 0.760 1 1 240 . 6 1 1 A 23 23 ILE H H 23 7.655 7.810 -0.155 1 1 241 . 6 1 1 A 23 23 ILE HA H 23 4.105 4.392 -0.287 1 1 251 . 6 1 1 A 23 23 ILE CA C 23 61.413 61.181 0.232 1 1 252 . 6 1 1 A 23 23 ILE CB C 23 38.576 37.740 0.836 1 1 256 . 6 1 1 A 23 23 ILE N N 23 115.088 115.376 -0.288 1 1 257 . 6 1 1 A 24 24 ARG H H 24 7.829 7.745 0.084 1 1 258 . 6 1 1 A 24 24 ARG HA H 24 4.344 4.148 0.196 1 1 266 . 6 1 1 A 24 24 ARG CA C 24 55.897 58.831 -2.934 1 1 267 . 6 1 1 A 24 24 ARG CB C 24 30.663 30.244 0.419 1 1 270 . 6 1 1 A 24 24 ARG N N 24 121.629 123.575 -1.946 1 1 4 . 7 1 1 A 2 2 ALA H H 2 8.989 8.413 0.576 1 1 5 . 7 1 1 A 2 2 ALA HA H 2 4.281 3.969 0.312 1 1 9 . 7 1 1 A 2 2 ALA CA C 2 52.821 53.847 -1.026 1 1 10 . 7 1 1 A 2 2 ALA CB C 2 19.251 18.407 0.844 1 1 11 . 7 1 1 A 2 2 ALA N N 2 124.571 122.968 1.603 1 1 12 . 7 1 1 A 3 3 TRP H H 3 8.728 8.042 0.686 1 1 13 . 7 1 1 A 3 3 TRP HA H 3 4.564 4.512 0.052 1 1 22 . 7 1 1 A 3 3 TRP CB C 3 28.826 28.199 0.627 1 1 29 . 7 1 1 A 3 3 TRP N N 3 119.557 118.642 0.915 1 1 30 . 7 1 1 A 4 4 LYS H H 4 8.281 6.976 1.305 1 1 31 . 7 1 1 A 4 4 LYS HA H 4 4.286 4.279 0.007 1 1 43 . 7 1 1 A 4 4 LYS CB C 4 32.295 31.915 0.380 1 1 46 . 7 1 1 A 4 4 LYS N N 4 122.295 119.099 3.196 1 1 47 . 7 1 1 A 5 5 ASN H H 5 8.283 8.121 0.162 1 1 48 . 7 1 1 A 5 5 ASN HA H 5 4.279 4.493 -0.214 1 1 53 . 7 1 1 A 5 5 ASN CB C 5 37.837 37.909 -0.072 1 1 54 . 7 1 1 A 5 5 ASN N N 5 117.820 118.734 -0.914 1 1 56 . 7 1 1 A 6 6 PHE H H 6 8.286 7.846 0.440 1 1 57 . 7 1 1 A 6 6 PHE HA H 6 4.291 4.293 -0.002 1 1 65 . 7 1 1 A 6 6 PHE CB C 6 39.221 38.927 0.294 1 1 70 . 7 1 1 A 7 7 TRP H H 7 8.297 8.586 -0.289 1 1 71 . 7 1 1 A 7 7 TRP HA H 7 4.102 4.197 -0.095 1 1 80 . 7 1 1 A 7 7 TRP CB C 7 29.767 29.411 0.356 1 1 86 . 7 1 1 A 7 7 TRP N N 7 119.790 119.729 0.061 1 1 87 . 7 1 1 A 8 8 SER H H 8 8.301 8.092 0.209 1 1 88 . 7 1 1 A 8 8 SER HA H 8 4.292 4.388 -0.096 1 1 91 . 7 1 1 A 8 8 SER CA C 8 61.099 61.430 -0.331 1 1 92 . 7 1 1 A 8 8 SER CB C 8 62.792 62.717 0.075 1 1 93 . 7 1 1 A 8 8 SER N N 8 112.802 115.873 -3.071 1 1 94 . 7 1 1 A 9 9 SER H H 9 7.860 8.147 -0.287 1 1 95 . 7 1 1 A 9 9 SER HA H 9 4.170 4.304 -0.134 1 1 98 . 7 1 1 A 9 9 SER CA C 9 62.101 60.976 1.125 1 1 99 . 7 1 1 A 9 9 SER CB C 9 62.878 63.065 -0.187 1 1 100 . 7 1 1 A 9 9 SER N N 9 117.763 117.564 0.199 1 1 101 . 7 1 1 A 10 10 LEU H H 10 7.955 7.683 0.272 1 1 102 . 7 1 1 A 10 10 LEU HA H 10 3.883 4.056 -0.173 1 1 112 . 7 1 1 A 10 10 LEU CA C 10 57.879 57.638 0.241 1 1 113 . 7 1 1 A 10 10 LEU CB C 10 41.678 42.002 -0.324 1 1 117 . 7 1 1 A 10 10 LEU N N 10 123.815 121.452 2.363 1 1 118 . 7 1 1 A 11 11 ARG H H 11 8.002 8.426 -0.424 1 1 119 . 7 1 1 A 11 11 ARG HA H 11 3.703 4.494 -0.791 1 1 127 . 7 1 1 A 11 11 ARG CA C 11 59.438 58.297 1.141 1 1 128 . 7 1 1 A 11 11 ARG CB C 11 30.468 29.310 1.158 1 1 131 . 7 1 1 A 11 11 ARG N N 11 117.843 118.826 -0.983 1 1 132 . 7 1 1 A 12 12 LYS H H 12 7.721 7.804 -0.083 1 1 133 . 7 1 1 A 12 12 LYS HA H 12 4.083 4.110 -0.027 1 1 145 . 7 1 1 A 12 12 LYS CA C 12 58.953 59.316 -0.363 1 1 146 . 7 1 1 A 12 12 LYS CB C 12 32.476 32.218 0.258 1 1 149 . 7 1 1 A 12 12 LYS N N 12 117.972 119.139 -1.167 1 1 150 . 7 1 1 A 13 13 GLY H H 13 8.124 7.947 0.177 1 1 151 . 7 1 1 A 13 13 GLY HA2 H 13 3.639 3.776 -0.137 1 1 152 . 7 1 1 A 13 13 GLY HA3 H 13 3.639 3.873 -0.234 1 1 153 . 7 1 1 A 13 13 GLY CA C 13 46.415 46.148 0.267 1 1 154 . 7 1 1 A 13 13 GLY N N 13 106.124 108.527 -2.403 1 1 155 . 7 1 1 A 14 14 PHE H H 14 8.162 8.055 0.107 1 1 156 . 7 1 1 A 14 14 PHE HA H 14 4.263 4.628 -0.365 1 1 164 . 7 1 1 A 14 14 PHE CA C 14 60.406 59.741 0.665 1 1 165 . 7 1 1 A 14 14 PHE CB C 14 39.421 38.168 1.253 1 1 169 . 7 1 1 A 14 14 PHE N N 14 120.405 121.185 -0.780 1 1 170 . 7 1 1 A 15 15 TYR H H 15 8.064 8.508 -0.444 1 1 171 . 7 1 1 A 15 15 TYR HA H 15 4.257 4.377 -0.120 1 1 178 . 7 1 1 A 15 15 TYR CB C 15 38.110 37.816 0.294 1 1 183 . 7 1 1 A 15 15 TYR N N 15 117.269 120.215 -2.946 1 1 184 . 7 1 1 A 16 16 ASP H H 16 8.308 8.173 0.135 1 1 185 . 7 1 1 A 16 16 ASP HA H 16 4.622 4.602 0.020 1 1 188 . 7 1 1 A 16 16 ASP CB C 16 42.115 41.266 0.849 1 1 189 . 7 1 1 A 16 16 ASP N N 16 119.842 119.259 0.583 1 1 190 . 7 1 1 A 17 17 GLY H H 17 7.907 7.588 0.319 1 1 191 . 7 1 1 A 17 17 GLY HA2 H 17 3.960 4.031 -0.071 1 1 192 . 7 1 1 A 17 17 GLY HA3 H 17 3.960 4.036 -0.076 1 1 193 . 7 1 1 A 17 17 GLY CA C 17 46.040 45.550 0.490 1 1 194 . 7 1 1 A 17 17 GLY N N 17 107.867 106.132 1.735 1 1 195 . 7 1 1 A 18 18 GLU H H 18 8.221 8.448 -0.227 1 1 196 . 7 1 1 A 18 18 GLU HA H 18 4.096 4.071 0.025 1 1 201 . 7 1 1 A 18 18 GLU CA C 18 57.759 59.786 -2.027 1 1 202 . 7 1 1 A 18 18 GLU CB C 18 28.496 29.124 -0.628 1 1 204 . 7 1 1 A 18 18 GLU N N 18 119.944 121.295 -1.351 1 1 205 . 7 1 1 A 19 19 ALA H H 19 8.230 8.046 0.184 1 1 206 . 7 1 1 A 19 19 ALA HA H 19 4.063 4.288 -0.225 1 1 210 . 7 1 1 A 19 19 ALA CA C 19 54.338 55.152 -0.814 1 1 211 . 7 1 1 A 19 19 ALA CB C 19 18.409 18.424 -0.015 1 1 212 . 7 1 1 A 19 19 ALA N N 19 121.362 122.629 -1.267 1 1 213 . 7 1 1 A 20 20 GLY H H 20 8.124 8.176 -0.052 1 1 214 . 7 1 1 A 20 20 GLY HA2 H 20 3.770 4.054 -0.284 1 1 215 . 7 1 1 A 20 20 GLY HA3 H 20 3.886 4.058 -0.172 1 1 216 . 7 1 1 A 20 20 GLY CA C 20 46.232 45.965 0.267 1 1 217 . 7 1 1 A 20 20 GLY N N 20 104.759 105.483 -0.724 1 1 218 . 7 1 1 A 21 21 ARG H H 21 7.716 8.541 -0.825 1 1 219 . 7 1 1 A 21 21 ARG HA H 21 4.175 4.051 0.124 1 1 227 . 7 1 1 A 21 21 ARG CA C 21 57.374 58.946 -1.572 1 1 228 . 7 1 1 A 21 21 ARG CB C 21 30.682 29.960 0.722 1 1 231 . 7 1 1 A 21 21 ARG N N 21 119.056 122.159 -3.103 1 1 232 . 7 1 1 A 22 22 ALA H H 22 7.987 7.536 0.451 1 1 233 . 7 1 1 A 22 22 ALA HA H 22 4.220 4.158 0.062 1 1 237 . 7 1 1 A 22 22 ALA CA C 22 53.388 54.334 -0.946 1 1 238 . 7 1 1 A 22 22 ALA CB C 22 19.076 18.317 0.759 1 1 239 . 7 1 1 A 22 22 ALA N N 22 121.794 120.691 1.103 1 1 240 . 7 1 1 A 23 23 ILE H H 23 7.655 7.849 -0.194 1 1 241 . 7 1 1 A 23 23 ILE HA H 23 4.105 4.144 -0.039 1 1 251 . 7 1 1 A 23 23 ILE CA C 23 61.413 61.239 0.174 1 1 252 . 7 1 1 A 23 23 ILE CB C 23 38.576 38.109 0.467 1 1 256 . 7 1 1 A 23 23 ILE N N 23 115.088 115.457 -0.369 1 1 257 . 7 1 1 A 24 24 ARG H H 24 7.829 7.583 0.246 1 1 258 . 7 1 1 A 24 24 ARG HA H 24 4.344 3.882 0.462 1 1 266 . 7 1 1 A 24 24 ARG CA C 24 55.897 57.058 -1.161 1 1 267 . 7 1 1 A 24 24 ARG CB C 24 30.663 27.833 2.830 1 1 270 . 7 1 1 A 24 24 ARG N N 24 121.629 118.443 3.186 1 1 4 . 8 1 1 A 2 2 ALA H H 2 8.989 8.366 0.623 1 1 5 . 8 1 1 A 2 2 ALA HA H 2 4.281 3.948 0.333 1 1 9 . 8 1 1 A 2 2 ALA CA C 2 52.821 54.297 -1.476 1 1 10 . 8 1 1 A 2 2 ALA CB C 2 19.251 18.450 0.801 1 1 11 . 8 1 1 A 2 2 ALA N N 2 124.571 124.513 0.058 1 1 12 . 8 1 1 A 3 3 TRP H H 3 8.728 8.126 0.602 1 1 13 . 8 1 1 A 3 3 TRP HA H 3 4.564 4.579 -0.015 1 1 22 . 8 1 1 A 3 3 TRP CB C 3 28.826 28.164 0.662 1 1 29 . 8 1 1 A 3 3 TRP N N 3 119.557 118.316 1.241 1 1 30 . 8 1 1 A 4 4 LYS H H 4 8.281 7.261 1.020 1 1 31 . 8 1 1 A 4 4 LYS HA H 4 4.286 4.063 0.223 1 1 43 . 8 1 1 A 4 4 LYS CB C 4 32.295 31.790 0.505 1 1 46 . 8 1 1 A 4 4 LYS N N 4 122.295 118.889 3.406 1 1 47 . 8 1 1 A 5 5 ASN H H 5 8.283 8.143 0.140 1 1 48 . 8 1 1 A 5 5 ASN HA H 5 4.279 4.451 -0.172 1 1 53 . 8 1 1 A 5 5 ASN CB C 5 37.837 37.924 -0.087 1 1 54 . 8 1 1 A 5 5 ASN N N 5 117.820 118.525 -0.705 1 1 56 . 8 1 1 A 6 6 PHE H H 6 8.286 7.936 0.350 1 1 57 . 8 1 1 A 6 6 PHE HA H 6 4.291 4.258 0.033 1 1 65 . 8 1 1 A 6 6 PHE CB C 6 39.221 39.111 0.110 1 1 70 . 8 1 1 A 7 7 TRP H H 7 8.297 8.616 -0.319 1 1 71 . 8 1 1 A 7 7 TRP HA H 7 4.102 4.089 0.013 1 1 80 . 8 1 1 A 7 7 TRP CB C 7 29.767 29.252 0.515 1 1 86 . 8 1 1 A 7 7 TRP N N 7 119.790 119.253 0.537 1 1 87 . 8 1 1 A 8 8 SER H H 8 8.301 8.269 0.032 1 1 88 . 8 1 1 A 8 8 SER HA H 8 4.292 4.446 -0.154 1 1 91 . 8 1 1 A 8 8 SER CA C 8 61.099 61.444 -0.345 1 1 92 . 8 1 1 A 8 8 SER CB C 8 62.792 62.524 0.268 1 1 93 . 8 1 1 A 8 8 SER N N 8 112.802 115.601 -2.799 1 1 94 . 8 1 1 A 9 9 SER H H 9 7.860 7.663 0.197 1 1 95 . 8 1 1 A 9 9 SER HA H 9 4.170 4.297 -0.127 1 1 98 . 8 1 1 A 9 9 SER CA C 9 62.101 60.925 1.176 1 1 99 . 8 1 1 A 9 9 SER CB C 9 62.878 63.023 -0.145 1 1 100 . 8 1 1 A 9 9 SER N N 9 117.763 117.452 0.311 1 1 101 . 8 1 1 A 10 10 LEU H H 10 7.955 7.604 0.351 1 1 102 . 8 1 1 A 10 10 LEU HA H 10 3.883 4.167 -0.284 1 1 112 . 8 1 1 A 10 10 LEU CA C 10 57.879 57.483 0.396 1 1 113 . 8 1 1 A 10 10 LEU CB C 10 41.678 41.803 -0.125 1 1 117 . 8 1 1 A 10 10 LEU N N 10 123.815 120.937 2.878 1 1 118 . 8 1 1 A 11 11 ARG H H 11 8.002 8.044 -0.042 1 1 119 . 8 1 1 A 11 11 ARG HA H 11 3.703 4.375 -0.672 1 1 127 . 8 1 1 A 11 11 ARG CA C 11 59.438 58.969 0.469 1 1 128 . 8 1 1 A 11 11 ARG CB C 11 30.468 29.825 0.643 1 1 131 . 8 1 1 A 11 11 ARG N N 11 117.843 118.544 -0.701 1 1 132 . 8 1 1 A 12 12 LYS H H 12 7.721 7.842 -0.121 1 1 133 . 8 1 1 A 12 12 LYS HA H 12 4.083 4.122 -0.039 1 1 145 . 8 1 1 A 12 12 LYS CA C 12 58.953 59.342 -0.389 1 1 146 . 8 1 1 A 12 12 LYS CB C 12 32.476 32.301 0.175 1 1 149 . 8 1 1 A 12 12 LYS N N 12 117.972 119.569 -1.597 1 1 150 . 8 1 1 A 13 13 GLY H H 13 8.124 8.520 -0.396 1 1 151 . 8 1 1 A 13 13 GLY HA2 H 13 3.639 3.767 -0.128 1 1 152 . 8 1 1 A 13 13 GLY HA3 H 13 3.639 3.834 -0.195 1 1 153 . 8 1 1 A 13 13 GLY CA C 13 46.415 46.465 -0.050 1 1 154 . 8 1 1 A 13 13 GLY N N 13 106.124 108.529 -2.405 1 1 155 . 8 1 1 A 14 14 PHE H H 14 8.162 8.116 0.046 1 1 156 . 8 1 1 A 14 14 PHE HA H 14 4.263 4.648 -0.385 1 1 164 . 8 1 1 A 14 14 PHE CA C 14 60.406 60.104 0.302 1 1 165 . 8 1 1 A 14 14 PHE CB C 14 39.421 39.012 0.409 1 1 169 . 8 1 1 A 14 14 PHE N N 14 120.405 121.271 -0.866 1 1 170 . 8 1 1 A 15 15 TYR H H 15 8.064 8.701 -0.637 1 1 171 . 8 1 1 A 15 15 TYR HA H 15 4.257 4.463 -0.206 1 1 178 . 8 1 1 A 15 15 TYR CB C 15 38.110 37.863 0.247 1 1 183 . 8 1 1 A 15 15 TYR N N 15 117.269 120.371 -3.102 1 1 184 . 8 1 1 A 16 16 ASP H H 16 8.308 8.174 0.134 1 1 185 . 8 1 1 A 16 16 ASP HA H 16 4.622 4.598 0.024 1 1 188 . 8 1 1 A 16 16 ASP CB C 16 42.115 41.263 0.852 1 1 189 . 8 1 1 A 16 16 ASP N N 16 119.842 119.178 0.664 1 1 190 . 8 1 1 A 17 17 GLY H H 17 7.907 7.528 0.379 1 1 191 . 8 1 1 A 17 17 GLY HA2 H 17 3.960 4.023 -0.063 1 1 192 . 8 1 1 A 17 17 GLY HA3 H 17 3.960 4.036 -0.076 1 1 193 . 8 1 1 A 17 17 GLY CA C 17 46.040 45.543 0.497 1 1 194 . 8 1 1 A 17 17 GLY N N 17 107.867 106.120 1.747 1 1 195 . 8 1 1 A 18 18 GLU H H 18 8.221 8.407 -0.186 1 1 196 . 8 1 1 A 18 18 GLU HA H 18 4.096 4.017 0.079 1 1 201 . 8 1 1 A 18 18 GLU CA C 18 57.759 59.708 -1.949 1 1 202 . 8 1 1 A 18 18 GLU CB C 18 28.496 29.019 -0.523 1 1 204 . 8 1 1 A 18 18 GLU N N 18 119.944 121.234 -1.290 1 1 205 . 8 1 1 A 19 19 ALA H H 19 8.230 8.005 0.225 1 1 206 . 8 1 1 A 19 19 ALA HA H 19 4.063 4.381 -0.318 1 1 210 . 8 1 1 A 19 19 ALA CA C 19 54.338 55.166 -0.828 1 1 211 . 8 1 1 A 19 19 ALA CB C 19 18.409 18.523 -0.114 1 1 212 . 8 1 1 A 19 19 ALA N N 19 121.362 122.513 -1.151 1 1 213 . 8 1 1 A 20 20 GLY H H 20 8.124 8.166 -0.042 1 1 214 . 8 1 1 A 20 20 GLY HA2 H 20 3.770 4.059 -0.289 1 1 215 . 8 1 1 A 20 20 GLY HA3 H 20 3.886 4.067 -0.181 1 1 216 . 8 1 1 A 20 20 GLY CA C 20 46.232 45.969 0.263 1 1 217 . 8 1 1 A 20 20 GLY N N 20 104.759 105.469 -0.710 1 1 218 . 8 1 1 A 21 21 ARG H H 21 7.716 8.647 -0.931 1 1 219 . 8 1 1 A 21 21 ARG HA H 21 4.175 4.041 0.134 1 1 227 . 8 1 1 A 21 21 ARG CA C 21 57.374 59.088 -1.714 1 1 228 . 8 1 1 A 21 21 ARG CB C 21 30.682 29.888 0.794 1 1 231 . 8 1 1 A 21 21 ARG N N 21 119.056 122.218 -3.162 1 1 232 . 8 1 1 A 22 22 ALA H H 22 7.987 7.802 0.185 1 1 233 . 8 1 1 A 22 22 ALA HA H 22 4.220 4.140 0.080 1 1 237 . 8 1 1 A 22 22 ALA CA C 22 53.388 54.232 -0.844 1 1 238 . 8 1 1 A 22 22 ALA CB C 22 19.076 18.485 0.591 1 1 239 . 8 1 1 A 22 22 ALA N N 22 121.794 121.120 0.674 1 1 240 . 8 1 1 A 23 23 ILE H H 23 7.655 8.008 -0.353 1 1 241 . 8 1 1 A 23 23 ILE HA H 23 4.105 4.015 0.090 1 1 251 . 8 1 1 A 23 23 ILE CA C 23 61.413 62.745 -1.332 1 1 252 . 8 1 1 A 23 23 ILE CB C 23 38.576 37.867 0.709 1 1 256 . 8 1 1 A 23 23 ILE N N 23 115.088 116.225 -1.137 1 1 257 . 8 1 1 A 24 24 ARG H H 24 7.829 7.536 0.293 1 1 258 . 8 1 1 A 24 24 ARG HA H 24 4.344 3.874 0.470 1 1 266 . 8 1 1 A 24 24 ARG CA C 24 55.897 57.016 -1.119 1 1 267 . 8 1 1 A 24 24 ARG CB C 24 30.663 27.921 2.742 1 1 270 . 8 1 1 A 24 24 ARG N N 24 121.629 118.601 3.028 1 1 4 . 9 1 1 A 2 2 ALA H H 2 8.989 8.133 0.856 1 1 5 . 9 1 1 A 2 2 ALA HA H 2 4.281 4.331 -0.050 1 1 9 . 9 1 1 A 2 2 ALA CA C 2 52.821 52.684 0.137 1 1 10 . 9 1 1 A 2 2 ALA CB C 2 19.251 21.085 -1.834 1 1 11 . 9 1 1 A 2 2 ALA N N 2 124.571 126.477 -1.906 1 1 12 . 9 1 1 A 3 3 TRP H H 3 8.728 8.365 0.363 1 1 13 . 9 1 1 A 3 3 TRP HA H 3 4.564 4.571 -0.007 1 1 22 . 9 1 1 A 3 3 TRP CB C 3 28.826 28.055 0.771 1 1 29 . 9 1 1 A 3 3 TRP N N 3 119.557 117.806 1.751 1 1 30 . 9 1 1 A 4 4 LYS H H 4 8.281 7.547 0.734 1 1 31 . 9 1 1 A 4 4 LYS HA H 4 4.286 4.194 0.092 1 1 43 . 9 1 1 A 4 4 LYS CB C 4 32.295 31.718 0.577 1 1 46 . 9 1 1 A 4 4 LYS N N 4 122.295 119.466 2.829 1 1 47 . 9 1 1 A 5 5 ASN H H 5 8.283 7.892 0.391 1 1 48 . 9 1 1 A 5 5 ASN HA H 5 4.279 4.458 -0.179 1 1 53 . 9 1 1 A 5 5 ASN CB C 5 37.837 37.964 -0.127 1 1 54 . 9 1 1 A 5 5 ASN N N 5 117.820 118.558 -0.738 1 1 56 . 9 1 1 A 6 6 PHE H H 6 8.286 8.068 0.218 1 1 57 . 9 1 1 A 6 6 PHE HA H 6 4.291 4.221 0.070 1 1 65 . 9 1 1 A 6 6 PHE CB C 6 39.221 39.092 0.129 1 1 70 . 9 1 1 A 7 7 TRP H H 7 8.297 8.378 -0.081 1 1 71 . 9 1 1 A 7 7 TRP HA H 7 4.102 4.197 -0.095 1 1 80 . 9 1 1 A 7 7 TRP CB C 7 29.767 29.407 0.360 1 1 86 . 9 1 1 A 7 7 TRP N N 7 119.790 119.496 0.294 1 1 87 . 9 1 1 A 8 8 SER H H 8 8.301 8.241 0.060 1 1 88 . 9 1 1 A 8 8 SER HA H 8 4.292 4.381 -0.089 1 1 91 . 9 1 1 A 8 8 SER CA C 8 61.099 61.453 -0.354 1 1 92 . 9 1 1 A 8 8 SER CB C 8 62.792 62.675 0.117 1 1 93 . 9 1 1 A 8 8 SER N N 8 112.802 116.071 -3.269 1 1 94 . 9 1 1 A 9 9 SER H H 9 7.860 7.958 -0.098 1 1 95 . 9 1 1 A 9 9 SER HA H 9 4.170 4.249 -0.079 1 1 98 . 9 1 1 A 9 9 SER CA C 9 62.101 60.906 1.195 1 1 99 . 9 1 1 A 9 9 SER CB C 9 62.878 63.096 -0.218 1 1 100 . 9 1 1 A 9 9 SER N N 9 117.763 117.536 0.227 1 1 101 . 9 1 1 A 10 10 LEU H H 10 7.955 7.515 0.440 1 1 102 . 9 1 1 A 10 10 LEU HA H 10 3.883 3.981 -0.098 1 1 112 . 9 1 1 A 10 10 LEU CA C 10 57.879 57.268 0.611 1 1 113 . 9 1 1 A 10 10 LEU CB C 10 41.678 42.005 -0.327 1 1 117 . 9 1 1 A 10 10 LEU N N 10 123.815 121.495 2.320 1 1 118 . 9 1 1 A 11 11 ARG H H 11 8.002 7.922 0.080 1 1 119 . 9 1 1 A 11 11 ARG HA H 11 3.703 4.219 -0.516 1 1 127 . 9 1 1 A 11 11 ARG CA C 11 59.438 58.944 0.494 1 1 128 . 9 1 1 A 11 11 ARG CB C 11 30.468 29.894 0.574 1 1 131 . 9 1 1 A 11 11 ARG N N 11 117.843 118.761 -0.918 1 1 132 . 9 1 1 A 12 12 LYS H H 12 7.721 8.474 -0.753 1 1 133 . 9 1 1 A 12 12 LYS HA H 12 4.083 4.175 -0.092 1 1 145 . 9 1 1 A 12 12 LYS CA C 12 58.953 58.895 0.058 1 1 146 . 9 1 1 A 12 12 LYS CB C 12 32.476 32.282 0.194 1 1 149 . 9 1 1 A 12 12 LYS N N 12 117.972 118.736 -0.764 1 1 150 . 9 1 1 A 13 13 GLY H H 13 8.124 8.024 0.100 1 1 151 . 9 1 1 A 13 13 GLY HA2 H 13 3.639 3.589 0.050 1 1 152 . 9 1 1 A 13 13 GLY HA3 H 13 3.639 3.714 -0.075 1 1 153 . 9 1 1 A 13 13 GLY CA C 13 46.415 46.701 -0.286 1 1 154 . 9 1 1 A 13 13 GLY N N 13 106.124 108.593 -2.469 1 1 155 . 9 1 1 A 14 14 PHE H H 14 8.162 7.815 0.347 1 1 156 . 9 1 1 A 14 14 PHE HA H 14 4.263 4.622 -0.359 1 1 164 . 9 1 1 A 14 14 PHE CA C 14 60.406 59.835 0.571 1 1 165 . 9 1 1 A 14 14 PHE CB C 14 39.421 38.704 0.717 1 1 169 . 9 1 1 A 14 14 PHE N N 14 120.405 121.271 -0.866 1 1 170 . 9 1 1 A 15 15 TYR H H 15 8.064 8.172 -0.108 1 1 171 . 9 1 1 A 15 15 TYR HA H 15 4.257 4.352 -0.095 1 1 178 . 9 1 1 A 15 15 TYR CB C 15 38.110 37.479 0.631 1 1 183 . 9 1 1 A 15 15 TYR N N 15 117.269 119.374 -2.105 1 1 184 . 9 1 1 A 16 16 ASP H H 16 8.308 8.154 0.154 1 1 185 . 9 1 1 A 16 16 ASP HA H 16 4.622 4.603 0.019 1 1 188 . 9 1 1 A 16 16 ASP CB C 16 42.115 41.249 0.866 1 1 189 . 9 1 1 A 16 16 ASP N N 16 119.842 119.761 0.081 1 1 190 . 9 1 1 A 17 17 GLY H H 17 7.907 7.744 0.163 1 1 191 . 9 1 1 A 17 17 GLY HA2 H 17 3.960 4.054 -0.094 1 1 192 . 9 1 1 A 17 17 GLY HA3 H 17 3.960 4.064 -0.104 1 1 193 . 9 1 1 A 17 17 GLY CA C 17 46.040 45.552 0.488 1 1 194 . 9 1 1 A 17 17 GLY N N 17 107.867 106.302 1.565 1 1 195 . 9 1 1 A 18 18 GLU H H 18 8.221 8.514 -0.293 1 1 196 . 9 1 1 A 18 18 GLU HA H 18 4.096 4.176 -0.080 1 1 201 . 9 1 1 A 18 18 GLU CA C 18 57.759 59.708 -1.949 1 1 202 . 9 1 1 A 18 18 GLU CB C 18 28.496 29.110 -0.614 1 1 204 . 9 1 1 A 18 18 GLU N N 18 119.944 121.407 -1.463 1 1 205 . 9 1 1 A 19 19 ALA H H 19 8.230 8.334 -0.104 1 1 206 . 9 1 1 A 19 19 ALA HA H 19 4.063 4.018 0.045 1 1 210 . 9 1 1 A 19 19 ALA CA C 19 54.338 55.146 -0.808 1 1 211 . 9 1 1 A 19 19 ALA CB C 19 18.409 18.262 0.147 1 1 212 . 9 1 1 A 19 19 ALA N N 19 121.362 122.519 -1.157 1 1 213 . 9 1 1 A 20 20 GLY H H 20 8.124 7.836 0.288 1 1 214 . 9 1 1 A 20 20 GLY HA2 H 20 3.770 4.081 -0.311 1 1 215 . 9 1 1 A 20 20 GLY HA3 H 20 3.886 4.095 -0.209 1 1 216 . 9 1 1 A 20 20 GLY CA C 20 46.232 45.745 0.487 1 1 217 . 9 1 1 A 20 20 GLY N N 20 104.759 105.455 -0.696 1 1 218 . 9 1 1 A 21 21 ARG H H 21 7.716 8.509 -0.793 1 1 219 . 9 1 1 A 21 21 ARG HA H 21 4.175 4.028 0.147 1 1 227 . 9 1 1 A 21 21 ARG CA C 21 57.374 59.057 -1.683 1 1 228 . 9 1 1 A 21 21 ARG CB C 21 30.682 29.930 0.752 1 1 231 . 9 1 1 A 21 21 ARG N N 21 119.056 121.971 -2.915 1 1 232 . 9 1 1 A 22 22 ALA H H 22 7.987 7.706 0.281 1 1 233 . 9 1 1 A 22 22 ALA HA H 22 4.220 4.190 0.030 1 1 237 . 9 1 1 A 22 22 ALA CA C 22 53.388 54.221 -0.833 1 1 238 . 9 1 1 A 22 22 ALA CB C 22 19.076 18.460 0.616 1 1 239 . 9 1 1 A 22 22 ALA N N 22 121.794 121.025 0.769 1 1 240 . 9 1 1 A 23 23 ILE H H 23 7.655 7.622 0.033 1 1 241 . 9 1 1 A 23 23 ILE HA H 23 4.105 4.147 -0.042 1 1 251 . 9 1 1 A 23 23 ILE CA C 23 61.413 61.157 0.256 1 1 252 . 9 1 1 A 23 23 ILE CB C 23 38.576 38.151 0.425 1 1 256 . 9 1 1 A 23 23 ILE N N 23 115.088 115.285 -0.197 1 1 257 . 9 1 1 A 24 24 ARG H H 24 7.829 8.062 -0.233 1 1 258 . 9 1 1 A 24 24 ARG HA H 24 4.344 3.987 0.357 1 1 266 . 9 1 1 A 24 24 ARG CA C 24 55.897 57.405 -1.508 1 1 267 . 9 1 1 A 24 24 ARG CB C 24 30.663 26.936 3.727 1 1 270 . 9 1 1 A 24 24 ARG N N 24 121.629 119.138 2.491 1 1 4 . 10 1 1 A 2 2 ALA H H 2 8.989 8.560 0.429 1 1 5 . 10 1 1 A 2 2 ALA HA H 2 4.281 4.397 -0.116 1 1 9 . 10 1 1 A 2 2 ALA CA C 2 52.821 52.749 0.072 1 1 10 . 10 1 1 A 2 2 ALA CB C 2 19.251 21.020 -1.769 1 1 11 . 10 1 1 A 2 2 ALA N N 2 124.571 119.693 4.878 1 1 12 . 10 1 1 A 3 3 TRP H H 3 8.728 8.440 0.288 1 1 13 . 10 1 1 A 3 3 TRP HA H 3 4.564 4.548 0.016 1 1 22 . 10 1 1 A 3 3 TRP CB C 3 28.826 28.166 0.660 1 1 29 . 10 1 1 A 3 3 TRP N N 3 119.557 117.695 1.862 1 1 30 . 10 1 1 A 4 4 LYS H H 4 8.281 7.076 1.205 1 1 31 . 10 1 1 A 4 4 LYS HA H 4 4.286 3.969 0.317 1 1 43 . 10 1 1 A 4 4 LYS CB C 4 32.295 31.677 0.618 1 1 46 . 10 1 1 A 4 4 LYS N N 4 122.295 117.954 4.341 1 1 47 . 10 1 1 A 5 5 ASN H H 5 8.283 7.980 0.303 1 1 48 . 10 1 1 A 5 5 ASN HA H 5 4.279 4.456 -0.177 1 1 53 . 10 1 1 A 5 5 ASN CB C 5 37.837 37.886 -0.049 1 1 54 . 10 1 1 A 5 5 ASN N N 5 117.820 118.598 -0.778 1 1 56 . 10 1 1 A 6 6 PHE H H 6 8.286 8.116 0.170 1 1 57 . 10 1 1 A 6 6 PHE HA H 6 4.291 4.263 0.028 1 1 65 . 10 1 1 A 6 6 PHE CB C 6 39.221 39.244 -0.023 1 1 70 . 10 1 1 A 7 7 TRP H H 7 8.297 8.663 -0.366 1 1 71 . 10 1 1 A 7 7 TRP HA H 7 4.102 4.173 -0.071 1 1 80 . 10 1 1 A 7 7 TRP CB C 7 29.767 29.423 0.344 1 1 86 . 10 1 1 A 7 7 TRP N N 7 119.790 119.305 0.485 1 1 87 . 10 1 1 A 8 8 SER H H 8 8.301 8.368 -0.067 1 1 88 . 10 1 1 A 8 8 SER HA H 8 4.292 4.435 -0.143 1 1 91 . 10 1 1 A 8 8 SER CA C 8 61.099 61.536 -0.437 1 1 92 . 10 1 1 A 8 8 SER CB C 8 62.792 62.367 0.425 1 1 93 . 10 1 1 A 8 8 SER N N 8 112.802 115.411 -2.609 1 1 94 . 10 1 1 A 9 9 SER H H 9 7.860 8.036 -0.176 1 1 95 . 10 1 1 A 9 9 SER HA H 9 4.170 4.148 0.022 1 1 98 . 10 1 1 A 9 9 SER CA C 9 62.101 61.518 0.583 1 1 99 . 10 1 1 A 9 9 SER CB C 9 62.878 63.018 -0.140 1 1 100 . 10 1 1 A 9 9 SER N N 9 117.763 117.499 0.264 1 1 101 . 10 1 1 A 10 10 LEU H H 10 7.955 7.615 0.340 1 1 102 . 10 1 1 A 10 10 LEU HA H 10 3.883 4.119 -0.236 1 1 112 . 10 1 1 A 10 10 LEU CA C 10 57.879 57.274 0.605 1 1 113 . 10 1 1 A 10 10 LEU CB C 10 41.678 41.527 0.151 1 1 117 . 10 1 1 A 10 10 LEU N N 10 123.815 122.783 1.032 1 1 118 . 10 1 1 A 11 11 ARG H H 11 8.002 8.652 -0.650 1 1 119 . 10 1 1 A 11 11 ARG HA H 11 3.703 4.029 -0.326 1 1 127 . 10 1 1 A 11 11 ARG CA C 11 59.438 60.330 -0.892 1 1 128 . 10 1 1 A 11 11 ARG CB C 11 30.468 30.178 0.290 1 1 131 . 10 1 1 A 11 11 ARG N N 11 117.843 118.941 -1.098 1 1 132 . 10 1 1 A 12 12 LYS H H 12 7.721 8.078 -0.357 1 1 133 . 10 1 1 A 12 12 LYS HA H 12 4.083 4.125 -0.042 1 1 145 . 10 1 1 A 12 12 LYS CA C 12 58.953 59.326 -0.373 1 1 146 . 10 1 1 A 12 12 LYS CB C 12 32.476 32.309 0.167 1 1 149 . 10 1 1 A 12 12 LYS N N 12 117.972 118.191 -0.219 1 1 150 . 10 1 1 A 13 13 GLY H H 13 8.124 8.285 -0.161 1 1 151 . 10 1 1 A 13 13 GLY HA2 H 13 3.639 3.767 -0.128 1 1 152 . 10 1 1 A 13 13 GLY HA3 H 13 3.639 3.777 -0.138 1 1 153 . 10 1 1 A 13 13 GLY CA C 13 46.415 47.070 -0.655 1 1 154 . 10 1 1 A 13 13 GLY N N 13 106.124 108.534 -2.410 1 1 155 . 10 1 1 A 14 14 PHE H H 14 8.162 8.177 -0.015 1 1 156 . 10 1 1 A 14 14 PHE HA H 14 4.263 4.640 -0.377 1 1 164 . 10 1 1 A 14 14 PHE CA C 14 60.406 59.900 0.506 1 1 165 . 10 1 1 A 14 14 PHE CB C 14 39.421 39.109 0.312 1 1 169 . 10 1 1 A 14 14 PHE N N 14 120.405 121.285 -0.880 1 1 170 . 10 1 1 A 15 15 TYR H H 15 8.064 8.399 -0.335 1 1 171 . 10 1 1 A 15 15 TYR HA H 15 4.257 4.516 -0.259 1 1 178 . 10 1 1 A 15 15 TYR CB C 15 38.110 37.770 0.340 1 1 183 . 10 1 1 A 15 15 TYR N N 15 117.269 119.050 -1.781 1 1 184 . 10 1 1 A 16 16 ASP H H 16 8.308 8.175 0.133 1 1 185 . 10 1 1 A 16 16 ASP HA H 16 4.622 4.596 0.026 1 1 188 . 10 1 1 A 16 16 ASP CB C 16 42.115 41.286 0.829 1 1 189 . 10 1 1 A 16 16 ASP N N 16 119.842 119.921 -0.079 1 1 190 . 10 1 1 A 17 17 GLY H H 17 7.907 7.812 0.095 1 1 191 . 10 1 1 A 17 17 GLY HA2 H 17 3.960 4.007 -0.047 1 1 192 . 10 1 1 A 17 17 GLY HA3 H 17 3.960 4.020 -0.060 1 1 193 . 10 1 1 A 17 17 GLY CA C 17 46.040 45.503 0.537 1 1 194 . 10 1 1 A 17 17 GLY N N 17 107.867 106.096 1.771 1 1 195 . 10 1 1 A 18 18 GLU H H 18 8.221 8.360 -0.139 1 1 196 . 10 1 1 A 18 18 GLU HA H 18 4.096 3.940 0.156 1 1 201 . 10 1 1 A 18 18 GLU CA C 18 57.759 59.586 -1.827 1 1 202 . 10 1 1 A 18 18 GLU CB C 18 28.496 28.887 -0.391 1 1 204 . 10 1 1 A 18 18 GLU N N 18 119.944 121.190 -1.246 1 1 205 . 10 1 1 A 19 19 ALA H H 19 8.230 7.844 0.386 1 1 206 . 10 1 1 A 19 19 ALA HA H 19 4.063 4.283 -0.220 1 1 210 . 10 1 1 A 19 19 ALA CA C 19 54.338 55.084 -0.746 1 1 211 . 10 1 1 A 19 19 ALA CB C 19 18.409 18.453 -0.044 1 1 212 . 10 1 1 A 19 19 ALA N N 19 121.362 122.355 -0.993 1 1 213 . 10 1 1 A 20 20 GLY H H 20 8.124 8.113 0.011 1 1 214 . 10 1 1 A 20 20 GLY HA2 H 20 3.770 4.060 -0.290 1 1 215 . 10 1 1 A 20 20 GLY HA3 H 20 3.886 4.066 -0.180 1 1 216 . 10 1 1 A 20 20 GLY CA C 20 46.232 45.947 0.285 1 1 217 . 10 1 1 A 20 20 GLY N N 20 104.759 105.446 -0.687 1 1 218 . 10 1 1 A 21 21 ARG H H 21 7.716 8.469 -0.753 1 1 219 . 10 1 1 A 21 21 ARG HA H 21 4.175 3.982 0.193 1 1 227 . 10 1 1 A 21 21 ARG CA C 21 57.374 59.373 -1.999 1 1 228 . 10 1 1 A 21 21 ARG CB C 21 30.682 29.874 0.808 1 1 231 . 10 1 1 A 21 21 ARG N N 21 119.056 122.232 -3.176 1 1 232 . 10 1 1 A 22 22 ALA H H 22 7.987 7.595 0.392 1 1 233 . 10 1 1 A 22 22 ALA HA H 22 4.220 4.082 0.138 1 1 237 . 10 1 1 A 22 22 ALA CA C 22 53.388 54.300 -0.912 1 1 238 . 10 1 1 A 22 22 ALA CB C 22 19.076 18.398 0.678 1 1 239 . 10 1 1 A 22 22 ALA N N 22 121.794 121.155 0.639 1 1 240 . 10 1 1 A 23 23 ILE H H 23 7.655 7.772 -0.117 1 1 241 . 10 1 1 A 23 23 ILE HA H 23 4.105 3.957 0.148 1 1 251 . 10 1 1 A 23 23 ILE CA C 23 61.413 62.848 -1.435 1 1 252 . 10 1 1 A 23 23 ILE CB C 23 38.576 38.047 0.529 1 1 256 . 10 1 1 A 23 23 ILE N N 23 115.088 117.813 -2.725 1 1 257 . 10 1 1 A 24 24 ARG H H 24 7.829 7.422 0.407 1 1 258 . 10 1 1 A 24 24 ARG HA H 24 4.344 3.964 0.380 1 1 266 . 10 1 1 A 24 24 ARG CA C 24 55.897 57.546 -1.649 1 1 267 . 10 1 1 A 24 24 ARG CB C 24 30.663 26.674 3.989 1 1 270 . 10 1 1 A 24 24 ARG N N 24 121.629 118.418 3.211 1 1 4 . 11 1 1 A 2 2 ALA H H 2 8.989 8.248 0.741 1 1 5 . 11 1 1 A 2 2 ALA HA H 2 4.281 3.932 0.349 1 1 9 . 11 1 1 A 2 2 ALA CA C 2 52.821 54.285 -1.464 1 1 10 . 11 1 1 A 2 2 ALA CB C 2 19.251 18.434 0.817 1 1 11 . 11 1 1 A 2 2 ALA N N 2 124.571 123.236 1.335 1 1 12 . 11 1 1 A 3 3 TRP H H 3 8.728 7.997 0.731 1 1 13 . 11 1 1 A 3 3 TRP HA H 3 4.564 4.541 0.023 1 1 22 . 11 1 1 A 3 3 TRP CB C 3 28.826 28.131 0.695 1 1 29 . 11 1 1 A 3 3 TRP N N 3 119.557 118.116 1.441 1 1 30 . 11 1 1 A 4 4 LYS H H 4 8.281 7.169 1.112 1 1 31 . 11 1 1 A 4 4 LYS HA H 4 4.286 4.259 0.027 1 1 43 . 11 1 1 A 4 4 LYS CB C 4 32.295 32.040 0.255 1 1 46 . 11 1 1 A 4 4 LYS N N 4 122.295 118.967 3.328 1 1 47 . 11 1 1 A 5 5 ASN H H 5 8.283 8.132 0.151 1 1 48 . 11 1 1 A 5 5 ASN HA H 5 4.279 4.479 -0.200 1 1 53 . 11 1 1 A 5 5 ASN CB C 5 37.837 38.385 -0.548 1 1 54 . 11 1 1 A 5 5 ASN N N 5 117.820 118.728 -0.908 1 1 56 . 11 1 1 A 6 6 PHE H H 6 8.286 7.794 0.492 1 1 57 . 11 1 1 A 6 6 PHE HA H 6 4.291 4.304 -0.013 1 1 65 . 11 1 1 A 6 6 PHE CB C 6 39.221 38.899 0.322 1 1 70 . 11 1 1 A 7 7 TRP H H 7 8.297 8.589 -0.292 1 1 71 . 11 1 1 A 7 7 TRP HA H 7 4.102 4.237 -0.135 1 1 80 . 11 1 1 A 7 7 TRP CB C 7 29.767 29.377 0.390 1 1 86 . 11 1 1 A 7 7 TRP N N 7 119.790 119.515 0.275 1 1 87 . 11 1 1 A 8 8 SER H H 8 8.301 8.106 0.195 1 1 88 . 11 1 1 A 8 8 SER HA H 8 4.292 4.394 -0.102 1 1 91 . 11 1 1 A 8 8 SER CA C 8 61.099 61.432 -0.333 1 1 92 . 11 1 1 A 8 8 SER CB C 8 62.792 62.727 0.065 1 1 93 . 11 1 1 A 8 8 SER N N 8 112.802 115.885 -3.083 1 1 94 . 11 1 1 A 9 9 SER H H 9 7.860 8.149 -0.289 1 1 95 . 11 1 1 A 9 9 SER HA H 9 4.170 4.302 -0.132 1 1 98 . 11 1 1 A 9 9 SER CA C 9 62.101 60.966 1.135 1 1 99 . 11 1 1 A 9 9 SER CB C 9 62.878 63.065 -0.187 1 1 100 . 11 1 1 A 9 9 SER N N 9 117.763 117.443 0.320 1 1 101 . 11 1 1 A 10 10 LEU H H 10 7.955 7.572 0.383 1 1 102 . 11 1 1 A 10 10 LEU HA H 10 3.883 3.950 -0.067 1 1 112 . 11 1 1 A 10 10 LEU CA C 10 57.879 57.531 0.348 1 1 113 . 11 1 1 A 10 10 LEU CB C 10 41.678 41.776 -0.098 1 1 117 . 11 1 1 A 10 10 LEU N N 10 123.815 121.375 2.440 1 1 118 . 11 1 1 A 11 11 ARG H H 11 8.002 8.406 -0.404 1 1 119 . 11 1 1 A 11 11 ARG HA H 11 3.703 4.414 -0.711 1 1 127 . 11 1 1 A 11 11 ARG CA C 11 59.438 58.384 1.054 1 1 128 . 11 1 1 A 11 11 ARG CB C 11 30.468 29.698 0.770 1 1 131 . 11 1 1 A 11 11 ARG N N 11 117.843 118.683 -0.840 1 1 132 . 11 1 1 A 12 12 LYS H H 12 7.721 7.764 -0.043 1 1 133 . 11 1 1 A 12 12 LYS HA H 12 4.083 4.114 -0.031 1 1 145 . 11 1 1 A 12 12 LYS CA C 12 58.953 59.284 -0.331 1 1 146 . 11 1 1 A 12 12 LYS CB C 12 32.476 32.225 0.251 1 1 149 . 11 1 1 A 12 12 LYS N N 12 117.972 119.196 -1.224 1 1 150 . 11 1 1 A 13 13 GLY H H 13 8.124 7.979 0.145 1 1 151 . 11 1 1 A 13 13 GLY HA2 H 13 3.639 3.667 -0.028 1 1 152 . 11 1 1 A 13 13 GLY HA3 H 13 3.639 3.790 -0.151 1 1 153 . 11 1 1 A 13 13 GLY CA C 13 46.415 46.532 -0.117 1 1 154 . 11 1 1 A 13 13 GLY N N 13 106.124 108.621 -2.497 1 1 155 . 11 1 1 A 14 14 PHE H H 14 8.162 7.388 0.774 1 1 156 . 11 1 1 A 14 14 PHE HA H 14 4.263 4.684 -0.421 1 1 164 . 11 1 1 A 14 14 PHE CA C 14 60.406 59.570 0.836 1 1 165 . 11 1 1 A 14 14 PHE CB C 14 39.421 38.195 1.226 1 1 169 . 11 1 1 A 14 14 PHE N N 14 120.405 121.250 -0.845 1 1 170 . 11 1 1 A 15 15 TYR H H 15 8.064 8.687 -0.623 1 1 171 . 11 1 1 A 15 15 TYR HA H 15 4.257 4.367 -0.110 1 1 178 . 11 1 1 A 15 15 TYR CB C 15 38.110 37.589 0.521 1 1 183 . 11 1 1 A 15 15 TYR N N 15 117.269 119.248 -1.979 1 1 184 . 11 1 1 A 16 16 ASP H H 16 8.308 8.180 0.128 1 1 185 . 11 1 1 A 16 16 ASP HA H 16 4.622 4.586 0.036 1 1 188 . 11 1 1 A 16 16 ASP CB C 16 42.115 41.275 0.840 1 1 189 . 11 1 1 A 16 16 ASP N N 16 119.842 119.500 0.342 1 1 190 . 11 1 1 A 17 17 GLY H H 17 7.907 7.639 0.268 1 1 191 . 11 1 1 A 17 17 GLY HA2 H 17 3.960 4.047 -0.087 1 1 192 . 11 1 1 A 17 17 GLY HA3 H 17 3.960 4.059 -0.099 1 1 193 . 11 1 1 A 17 17 GLY CA C 17 46.040 45.567 0.473 1 1 194 . 11 1 1 A 17 17 GLY N N 17 107.867 106.166 1.701 1 1 195 . 11 1 1 A 18 18 GLU H H 18 8.221 8.504 -0.283 1 1 196 . 11 1 1 A 18 18 GLU HA H 18 4.096 4.112 -0.016 1 1 201 . 11 1 1 A 18 18 GLU CA C 18 57.759 59.829 -2.070 1 1 202 . 11 1 1 A 18 18 GLU CB C 18 28.496 29.212 -0.716 1 1 204 . 11 1 1 A 18 18 GLU N N 18 119.944 121.409 -1.465 1 1 205 . 11 1 1 A 19 19 ALA H H 19 8.230 8.189 0.041 1 1 206 . 11 1 1 A 19 19 ALA HA H 19 4.063 4.142 -0.079 1 1 210 . 11 1 1 A 19 19 ALA CA C 19 54.338 55.066 -0.728 1 1 211 . 11 1 1 A 19 19 ALA CB C 19 18.409 18.453 -0.044 1 1 212 . 11 1 1 A 19 19 ALA N N 19 121.362 122.562 -1.200 1 1 213 . 11 1 1 A 20 20 GLY H H 20 8.124 8.029 0.095 1 1 214 . 11 1 1 A 20 20 GLY HA2 H 20 3.770 4.069 -0.299 1 1 215 . 11 1 1 A 20 20 GLY HA3 H 20 3.886 4.079 -0.193 1 1 216 . 11 1 1 A 20 20 GLY CA C 20 46.232 45.714 0.518 1 1 217 . 11 1 1 A 20 20 GLY N N 20 104.759 105.727 -0.968 1 1 218 . 11 1 1 A 21 21 ARG H H 21 7.716 8.483 -0.767 1 1 219 . 11 1 1 A 21 21 ARG HA H 21 4.175 4.185 -0.010 1 1 227 . 11 1 1 A 21 21 ARG CA C 21 57.374 58.613 -1.239 1 1 228 . 11 1 1 A 21 21 ARG CB C 21 30.682 29.800 0.882 1 1 231 . 11 1 1 A 21 21 ARG N N 21 119.056 122.079 -3.023 1 1 232 . 11 1 1 A 22 22 ALA H H 22 7.987 8.286 -0.299 1 1 233 . 11 1 1 A 22 22 ALA HA H 22 4.220 4.166 0.054 1 1 237 . 11 1 1 A 22 22 ALA CA C 22 53.388 54.424 -1.036 1 1 238 . 11 1 1 A 22 22 ALA CB C 22 19.076 18.591 0.485 1 1 239 . 11 1 1 A 22 22 ALA N N 22 121.794 121.212 0.582 1 1 240 . 11 1 1 A 23 23 ILE H H 23 7.655 7.659 -0.004 1 1 241 . 11 1 1 A 23 23 ILE HA H 23 4.105 4.057 0.048 1 1 251 . 11 1 1 A 23 23 ILE CA C 23 61.413 62.207 -0.794 1 1 252 . 11 1 1 A 23 23 ILE CB C 23 38.576 37.929 0.647 1 1 256 . 11 1 1 A 23 23 ILE N N 23 115.088 116.075 -0.987 1 1 257 . 11 1 1 A 24 24 ARG H H 24 7.829 8.084 -0.255 1 1 258 . 11 1 1 A 24 24 ARG HA H 24 4.344 3.861 0.483 1 1 266 . 11 1 1 A 24 24 ARG CA C 24 55.897 57.074 -1.177 1 1 267 . 11 1 1 A 24 24 ARG CB C 24 30.663 28.004 2.659 1 1 270 . 11 1 1 A 24 24 ARG N N 24 121.629 118.608 3.021 1 1 4 . 12 1 1 A 2 2 ALA H H 2 8.989 7.911 1.078 1 1 5 . 12 1 1 A 2 2 ALA HA H 2 4.281 4.330 -0.049 1 1 9 . 12 1 1 A 2 2 ALA CA C 2 52.821 52.688 0.133 1 1 10 . 12 1 1 A 2 2 ALA CB C 2 19.251 21.153 -1.902 1 1 11 . 12 1 1 A 2 2 ALA N N 2 124.571 127.029 -2.458 1 1 12 . 12 1 1 A 3 3 TRP H H 3 8.728 8.375 0.353 1 1 13 . 12 1 1 A 3 3 TRP HA H 3 4.564 4.515 0.049 1 1 22 . 12 1 1 A 3 3 TRP CB C 3 28.826 28.180 0.646 1 1 29 . 12 1 1 A 3 3 TRP N N 3 119.557 117.626 1.931 1 1 30 . 12 1 1 A 4 4 LYS H H 4 8.281 7.475 0.806 1 1 31 . 12 1 1 A 4 4 LYS HA H 4 4.286 4.105 0.181 1 1 43 . 12 1 1 A 4 4 LYS CB C 4 32.295 31.743 0.552 1 1 46 . 12 1 1 A 4 4 LYS N N 4 122.295 119.070 3.225 1 1 47 . 12 1 1 A 5 5 ASN H H 5 8.283 8.174 0.109 1 1 48 . 12 1 1 A 5 5 ASN HA H 5 4.279 4.451 -0.172 1 1 53 . 12 1 1 A 5 5 ASN CB C 5 37.837 38.002 -0.165 1 1 54 . 12 1 1 A 5 5 ASN N N 5 117.820 118.529 -0.709 1 1 56 . 12 1 1 A 6 6 PHE H H 6 8.286 7.934 0.352 1 1 57 . 12 1 1 A 6 6 PHE HA H 6 4.291 4.191 0.100 1 1 65 . 12 1 1 A 6 6 PHE CB C 6 39.221 39.098 0.123 1 1 70 . 12 1 1 A 7 7 TRP H H 7 8.297 8.584 -0.287 1 1 71 . 12 1 1 A 7 7 TRP HA H 7 4.102 4.030 0.072 1 1 80 . 12 1 1 A 7 7 TRP CB C 7 29.767 29.319 0.448 1 1 86 . 12 1 1 A 7 7 TRP N N 7 119.790 119.394 0.396 1 1 87 . 12 1 1 A 8 8 SER H H 8 8.301 8.003 0.298 1 1 88 . 12 1 1 A 8 8 SER HA H 8 4.292 4.232 0.060 1 1 91 . 12 1 1 A 8 8 SER CA C 8 61.099 61.449 -0.350 1 1 92 . 12 1 1 A 8 8 SER CB C 8 62.792 63.117 -0.325 1 1 93 . 12 1 1 A 8 8 SER N N 8 112.802 115.239 -2.437 1 1 94 . 12 1 1 A 9 9 SER H H 9 7.860 7.548 0.312 1 1 95 . 12 1 1 A 9 9 SER HA H 9 4.170 4.284 -0.114 1 1 98 . 12 1 1 A 9 9 SER CA C 9 62.101 60.903 1.198 1 1 99 . 12 1 1 A 9 9 SER CB C 9 62.878 62.943 -0.065 1 1 100 . 12 1 1 A 9 9 SER N N 9 117.763 116.168 1.595 1 1 101 . 12 1 1 A 10 10 LEU H H 10 7.955 7.351 0.604 1 1 102 . 12 1 1 A 10 10 LEU HA H 10 3.883 4.059 -0.176 1 1 112 . 12 1 1 A 10 10 LEU CA C 10 57.879 57.229 0.650 1 1 113 . 12 1 1 A 10 10 LEU CB C 10 41.678 41.616 0.062 1 1 117 . 12 1 1 A 10 10 LEU N N 10 123.815 121.063 2.752 1 1 118 . 12 1 1 A 11 11 ARG H H 11 8.002 7.850 0.152 1 1 119 . 12 1 1 A 11 11 ARG HA H 11 3.703 4.154 -0.451 1 1 127 . 12 1 1 A 11 11 ARG CA C 11 59.438 58.858 0.580 1 1 128 . 12 1 1 A 11 11 ARG CB C 11 30.468 29.951 0.517 1 1 131 . 12 1 1 A 11 11 ARG N N 11 117.843 118.205 -0.362 1 1 132 . 12 1 1 A 12 12 LYS H H 12 7.721 7.522 0.199 1 1 133 . 12 1 1 A 12 12 LYS HA H 12 4.083 4.064 0.019 1 1 145 . 12 1 1 A 12 12 LYS CA C 12 58.953 59.302 -0.349 1 1 146 . 12 1 1 A 12 12 LYS CB C 12 32.476 32.185 0.291 1 1 149 . 12 1 1 A 12 12 LYS N N 12 117.972 119.167 -1.195 1 1 150 . 12 1 1 A 13 13 GLY H H 13 8.124 8.445 -0.321 1 1 151 . 12 1 1 A 13 13 GLY HA2 H 13 3.639 4.006 -0.367 1 1 152 . 12 1 1 A 13 13 GLY HA3 H 13 3.639 4.038 -0.399 1 1 153 . 12 1 1 A 13 13 GLY CA C 13 46.415 46.247 0.168 1 1 154 . 12 1 1 A 13 13 GLY N N 13 106.124 108.725 -2.601 1 1 155 . 12 1 1 A 14 14 PHE H H 14 8.162 8.216 -0.054 1 1 156 . 12 1 1 A 14 14 PHE HA H 14 4.263 4.649 -0.386 1 1 164 . 12 1 1 A 14 14 PHE CA C 14 60.406 59.717 0.689 1 1 165 . 12 1 1 A 14 14 PHE CB C 14 39.421 38.234 1.187 1 1 169 . 12 1 1 A 14 14 PHE N N 14 120.405 121.257 -0.852 1 1 170 . 12 1 1 A 15 15 TYR H H 15 8.064 8.589 -0.525 1 1 171 . 12 1 1 A 15 15 TYR HA H 15 4.257 4.361 -0.104 1 1 178 . 12 1 1 A 15 15 TYR CB C 15 38.110 37.841 0.269 1 1 183 . 12 1 1 A 15 15 TYR N N 15 117.269 120.212 -2.943 1 1 184 . 12 1 1 A 16 16 ASP H H 16 8.308 8.169 0.139 1 1 185 . 12 1 1 A 16 16 ASP HA H 16 4.622 4.611 0.011 1 1 188 . 12 1 1 A 16 16 ASP CB C 16 42.115 41.319 0.796 1 1 189 . 12 1 1 A 16 16 ASP N N 16 119.842 119.367 0.475 1 1 190 . 12 1 1 A 17 17 GLY H H 17 7.907 7.473 0.434 1 1 191 . 12 1 1 A 17 17 GLY HA2 H 17 3.960 3.972 -0.012 1 1 192 . 12 1 1 A 17 17 GLY HA3 H 17 3.960 3.980 -0.020 1 1 193 . 12 1 1 A 17 17 GLY CA C 17 46.040 45.490 0.550 1 1 194 . 12 1 1 A 17 17 GLY N N 17 107.867 106.347 1.520 1 1 195 . 12 1 1 A 18 18 GLU H H 18 8.221 8.357 -0.136 1 1 196 . 12 1 1 A 18 18 GLU HA H 18 4.096 3.882 0.214 1 1 201 . 12 1 1 A 18 18 GLU CA C 18 57.759 59.547 -1.788 1 1 202 . 12 1 1 A 18 18 GLU CB C 18 28.496 28.863 -0.367 1 1 204 . 12 1 1 A 18 18 GLU N N 18 119.944 121.170 -1.226 1 1 205 . 12 1 1 A 19 19 ALA H H 19 8.230 7.701 0.529 1 1 206 . 12 1 1 A 19 19 ALA HA H 19 4.063 3.622 0.441 1 1 210 . 12 1 1 A 19 19 ALA CA C 19 54.338 54.765 -0.427 1 1 211 . 12 1 1 A 19 19 ALA CB C 19 18.409 18.462 -0.053 1 1 212 . 12 1 1 A 19 19 ALA N N 19 121.362 121.992 -0.630 1 1 213 . 12 1 1 A 20 20 GLY H H 20 8.124 7.998 0.126 1 1 214 . 12 1 1 A 20 20 GLY HA2 H 20 3.770 4.019 -0.249 1 1 215 . 12 1 1 A 20 20 GLY HA3 H 20 3.886 4.020 -0.134 1 1 216 . 12 1 1 A 20 20 GLY CA C 20 46.232 45.638 0.594 1 1 217 . 12 1 1 A 20 20 GLY N N 20 104.759 105.590 -0.831 1 1 218 . 12 1 1 A 21 21 ARG H H 21 7.716 8.194 -0.478 1 1 219 . 12 1 1 A 21 21 ARG HA H 21 4.175 4.085 0.090 1 1 227 . 12 1 1 A 21 21 ARG CA C 21 57.374 58.399 -1.025 1 1 228 . 12 1 1 A 21 21 ARG CB C 21 30.682 29.499 1.183 1 1 231 . 12 1 1 A 21 21 ARG N N 21 119.056 122.250 -3.194 1 1 232 . 12 1 1 A 22 22 ALA H H 22 7.987 7.748 0.239 1 1 233 . 12 1 1 A 22 22 ALA HA H 22 4.220 4.088 0.132 1 1 237 . 12 1 1 A 22 22 ALA CA C 22 53.388 54.134 -0.746 1 1 238 . 12 1 1 A 22 22 ALA CB C 22 19.076 18.294 0.782 1 1 239 . 12 1 1 A 22 22 ALA N N 22 121.794 121.261 0.533 1 1 240 . 12 1 1 A 23 23 ILE H H 23 7.655 7.471 0.184 1 1 241 . 12 1 1 A 23 23 ILE HA H 23 4.105 4.144 -0.039 1 1 251 . 12 1 1 A 23 23 ILE CA C 23 61.413 60.933 0.480 1 1 252 . 12 1 1 A 23 23 ILE CB C 23 38.576 37.932 0.644 1 1 256 . 12 1 1 A 23 23 ILE N N 23 115.088 114.915 0.173 1 1 257 . 12 1 1 A 24 24 ARG H H 24 7.829 8.106 -0.277 1 1 258 . 12 1 1 A 24 24 ARG HA H 24 4.344 3.858 0.486 1 1 266 . 12 1 1 A 24 24 ARG CA C 24 55.897 57.001 -1.104 1 1 267 . 12 1 1 A 24 24 ARG CB C 24 30.663 27.863 2.800 1 1 270 . 12 1 1 A 24 24 ARG N N 24 121.629 119.138 2.491 1 1 4 . 13 1 1 A 2 2 ALA H H 2 8.989 8.140 0.849 1 1 5 . 13 1 1 A 2 2 ALA HA H 2 4.281 4.392 -0.111 1 1 9 . 13 1 1 A 2 2 ALA CA C 2 52.821 52.749 0.072 1 1 10 . 13 1 1 A 2 2 ALA CB C 2 19.251 21.256 -2.005 1 1 11 . 13 1 1 A 2 2 ALA N N 2 124.571 125.504 -0.933 1 1 12 . 13 1 1 A 3 3 TRP H H 3 8.728 8.597 0.131 1 1 13 . 13 1 1 A 3 3 TRP HA H 3 4.564 4.508 0.056 1 1 22 . 13 1 1 A 3 3 TRP CB C 3 28.826 28.415 0.411 1 1 29 . 13 1 1 A 3 3 TRP N N 3 119.557 117.509 2.048 1 1 30 . 13 1 1 A 4 4 LYS H H 4 8.281 7.428 0.853 1 1 31 . 13 1 1 A 4 4 LYS HA H 4 4.286 3.692 0.594 1 1 43 . 13 1 1 A 4 4 LYS CB C 4 32.295 31.391 0.904 1 1 46 . 13 1 1 A 4 4 LYS N N 4 122.295 118.098 4.197 1 1 47 . 13 1 1 A 5 5 ASN H H 5 8.283 8.018 0.265 1 1 48 . 13 1 1 A 5 5 ASN HA H 5 4.279 4.509 -0.230 1 1 53 . 13 1 1 A 5 5 ASN CB C 5 37.837 38.855 -1.018 1 1 54 . 13 1 1 A 5 5 ASN N N 5 117.820 118.414 -0.594 1 1 56 . 13 1 1 A 6 6 PHE H H 6 8.286 7.933 0.353 1 1 57 . 13 1 1 A 6 6 PHE HA H 6 4.291 4.137 0.154 1 1 65 . 13 1 1 A 6 6 PHE CB C 6 39.221 39.672 -0.451 1 1 70 . 13 1 1 A 7 7 TRP H H 7 8.297 8.468 -0.171 1 1 71 . 13 1 1 A 7 7 TRP HA H 7 4.102 3.949 0.153 1 1 80 . 13 1 1 A 7 7 TRP CB C 7 29.767 29.056 0.711 1 1 86 . 13 1 1 A 7 7 TRP N N 7 119.790 119.296 0.494 1 1 87 . 13 1 1 A 8 8 SER H H 8 8.301 8.283 0.018 1 1 88 . 13 1 1 A 8 8 SER HA H 8 4.292 4.067 0.225 1 1 91 . 13 1 1 A 8 8 SER CA C 8 61.099 61.618 -0.519 1 1 92 . 13 1 1 A 8 8 SER CB C 8 62.792 62.977 -0.185 1 1 93 . 13 1 1 A 8 8 SER N N 8 112.802 115.233 -2.431 1 1 94 . 13 1 1 A 9 9 SER H H 9 7.860 8.164 -0.304 1 1 95 . 13 1 1 A 9 9 SER HA H 9 4.170 4.159 0.011 1 1 98 . 13 1 1 A 9 9 SER CA C 9 62.101 61.425 0.676 1 1 99 . 13 1 1 A 9 9 SER CB C 9 62.878 63.002 -0.124 1 1 100 . 13 1 1 A 9 9 SER N N 9 117.763 115.733 2.030 1 1 101 . 13 1 1 A 10 10 LEU H H 10 7.955 7.566 0.389 1 1 102 . 13 1 1 A 10 10 LEU HA H 10 3.883 4.144 -0.261 1 1 112 . 13 1 1 A 10 10 LEU CA C 10 57.879 56.688 1.191 1 1 113 . 13 1 1 A 10 10 LEU CB C 10 41.678 41.727 -0.049 1 1 117 . 13 1 1 A 10 10 LEU N N 10 123.815 122.784 1.031 1 1 118 . 13 1 1 A 11 11 ARG H H 11 8.002 8.552 -0.550 1 1 119 . 13 1 1 A 11 11 ARG HA H 11 3.703 3.914 -0.211 1 1 127 . 13 1 1 A 11 11 ARG CA C 11 59.438 60.371 -0.933 1 1 128 . 13 1 1 A 11 11 ARG CB C 11 30.468 29.983 0.485 1 1 131 . 13 1 1 A 11 11 ARG N N 11 117.843 119.084 -1.241 1 1 132 . 13 1 1 A 12 12 LYS H H 12 7.721 7.781 -0.060 1 1 133 . 13 1 1 A 12 12 LYS HA H 12 4.083 4.171 -0.088 1 1 145 . 13 1 1 A 12 12 LYS CA C 12 58.953 59.202 -0.249 1 1 146 . 13 1 1 A 12 12 LYS CB C 12 32.476 32.277 0.199 1 1 149 . 13 1 1 A 12 12 LYS N N 12 117.972 118.529 -0.557 1 1 150 . 13 1 1 A 13 13 GLY H H 13 8.124 8.139 -0.015 1 1 151 . 13 1 1 A 13 13 GLY HA2 H 13 3.639 3.804 -0.165 1 1 152 . 13 1 1 A 13 13 GLY HA3 H 13 3.639 3.840 -0.201 1 1 153 . 13 1 1 A 13 13 GLY CA C 13 46.415 47.105 -0.690 1 1 154 . 13 1 1 A 13 13 GLY N N 13 106.124 108.529 -2.405 1 1 155 . 13 1 1 A 14 14 PHE H H 14 8.162 8.506 -0.344 1 1 156 . 13 1 1 A 14 14 PHE HA H 14 4.263 4.645 -0.382 1 1 164 . 13 1 1 A 14 14 PHE CA C 14 60.406 59.815 0.591 1 1 165 . 13 1 1 A 14 14 PHE CB C 14 39.421 39.020 0.401 1 1 169 . 13 1 1 A 14 14 PHE N N 14 120.405 121.285 -0.880 1 1 170 . 13 1 1 A 15 15 TYR H H 15 8.064 8.282 -0.218 1 1 171 . 13 1 1 A 15 15 TYR HA H 15 4.257 4.484 -0.227 1 1 178 . 13 1 1 A 15 15 TYR CB C 15 38.110 37.432 0.678 1 1 183 . 13 1 1 A 15 15 TYR N N 15 117.269 119.035 -1.766 1 1 184 . 13 1 1 A 16 16 ASP H H 16 8.308 8.104 0.204 1 1 185 . 13 1 1 A 16 16 ASP HA H 16 4.622 4.608 0.014 1 1 188 . 13 1 1 A 16 16 ASP CB C 16 42.115 41.227 0.888 1 1 189 . 13 1 1 A 16 16 ASP N N 16 119.842 120.046 -0.204 1 1 190 . 13 1 1 A 17 17 GLY H H 17 7.907 7.454 0.453 1 1 191 . 13 1 1 A 17 17 GLY HA2 H 17 3.960 4.001 -0.041 1 1 192 . 13 1 1 A 17 17 GLY HA3 H 17 3.960 4.013 -0.053 1 1 193 . 13 1 1 A 17 17 GLY CA C 17 46.040 45.504 0.536 1 1 194 . 13 1 1 A 17 17 GLY N N 17 107.867 106.247 1.620 1 1 195 . 13 1 1 A 18 18 GLU H H 18 8.221 8.352 -0.131 1 1 196 . 13 1 1 A 18 18 GLU HA H 18 4.096 3.908 0.188 1 1 201 . 13 1 1 A 18 18 GLU CA C 18 57.759 59.522 -1.763 1 1 202 . 13 1 1 A 18 18 GLU CB C 18 28.496 28.990 -0.494 1 1 204 . 13 1 1 A 18 18 GLU N N 18 119.944 121.141 -1.197 1 1 205 . 13 1 1 A 19 19 ALA H H 19 8.230 7.947 0.283 1 1 206 . 13 1 1 A 19 19 ALA HA H 19 4.063 3.957 0.106 1 1 210 . 13 1 1 A 19 19 ALA CA C 19 54.338 55.123 -0.785 1 1 211 . 13 1 1 A 19 19 ALA CB C 19 18.409 18.564 -0.155 1 1 212 . 13 1 1 A 19 19 ALA N N 19 121.362 122.163 -0.801 1 1 213 . 13 1 1 A 20 20 GLY H H 20 8.124 7.973 0.151 1 1 214 . 13 1 1 A 20 20 GLY HA2 H 20 3.770 4.068 -0.298 1 1 215 . 13 1 1 A 20 20 GLY HA3 H 20 3.886 4.073 -0.187 1 1 216 . 13 1 1 A 20 20 GLY CA C 20 46.232 45.686 0.546 1 1 217 . 13 1 1 A 20 20 GLY N N 20 104.759 105.379 -0.620 1 1 218 . 13 1 1 A 21 21 ARG H H 21 7.716 8.395 -0.679 1 1 219 . 13 1 1 A 21 21 ARG HA H 21 4.175 3.969 0.206 1 1 227 . 13 1 1 A 21 21 ARG CA C 21 57.374 58.935 -1.561 1 1 228 . 13 1 1 A 21 21 ARG CB C 21 30.682 29.928 0.754 1 1 231 . 13 1 1 A 21 21 ARG N N 21 119.056 121.862 -2.806 1 1 232 . 13 1 1 A 22 22 ALA H H 22 7.987 7.360 0.627 1 1 233 . 13 1 1 A 22 22 ALA HA H 22 4.220 4.034 0.186 1 1 237 . 13 1 1 A 22 22 ALA CA C 22 53.388 54.289 -0.901 1 1 238 . 13 1 1 A 22 22 ALA CB C 22 19.076 18.132 0.944 1 1 239 . 13 1 1 A 22 22 ALA N N 22 121.794 120.524 1.270 1 1 240 . 13 1 1 A 23 23 ILE H H 23 7.655 7.585 0.070 1 1 241 . 13 1 1 A 23 23 ILE HA H 23 4.105 4.107 -0.002 1 1 251 . 13 1 1 A 23 23 ILE CA C 23 61.413 61.241 0.172 1 1 252 . 13 1 1 A 23 23 ILE CB C 23 38.576 38.081 0.495 1 1 256 . 13 1 1 A 23 23 ILE N N 23 115.088 115.963 -0.875 1 1 257 . 13 1 1 A 24 24 ARG H H 24 7.829 7.772 0.057 1 1 258 . 13 1 1 A 24 24 ARG HA H 24 4.344 3.894 0.450 1 1 266 . 13 1 1 A 24 24 ARG CA C 24 55.897 57.092 -1.195 1 1 267 . 13 1 1 A 24 24 ARG CB C 24 30.663 27.497 3.166 1 1 270 . 13 1 1 A 24 24 ARG N N 24 121.629 118.364 3.265 1 1 4 . 14 1 1 A 2 2 ALA H H 2 8.989 8.409 0.580 1 1 5 . 14 1 1 A 2 2 ALA HA H 2 4.281 4.358 -0.077 1 1 9 . 14 1 1 A 2 2 ALA CA C 2 52.821 52.869 -0.048 1 1 10 . 14 1 1 A 2 2 ALA CB C 2 19.251 21.141 -1.890 1 1 11 . 14 1 1 A 2 2 ALA N N 2 124.571 119.697 4.874 1 1 12 . 14 1 1 A 3 3 TRP H H 3 8.728 8.386 0.342 1 1 13 . 14 1 1 A 3 3 TRP HA H 3 4.564 4.453 0.111 1 1 22 . 14 1 1 A 3 3 TRP CB C 3 28.826 28.099 0.727 1 1 29 . 14 1 1 A 3 3 TRP N N 3 119.557 117.597 1.960 1 1 30 . 14 1 1 A 4 4 LYS H H 4 8.281 7.363 0.918 1 1 31 . 14 1 1 A 4 4 LYS HA H 4 4.286 3.937 0.349 1 1 43 . 14 1 1 A 4 4 LYS CB C 4 32.295 31.939 0.356 1 1 46 . 14 1 1 A 4 4 LYS N N 4 122.295 122.914 -0.619 1 1 47 . 14 1 1 A 5 5 ASN H H 5 8.283 7.990 0.293 1 1 48 . 14 1 1 A 5 5 ASN HA H 5 4.279 4.524 -0.245 1 1 53 . 14 1 1 A 5 5 ASN CB C 5 37.837 38.438 -0.601 1 1 54 . 14 1 1 A 5 5 ASN N N 5 117.820 117.554 0.266 1 1 56 . 14 1 1 A 6 6 PHE H H 6 8.286 8.147 0.139 1 1 57 . 14 1 1 A 6 6 PHE HA H 6 4.291 4.213 0.078 1 1 65 . 14 1 1 A 6 6 PHE CB C 6 39.221 38.930 0.291 1 1 70 . 14 1 1 A 7 7 TRP H H 7 8.297 8.043 0.254 1 1 71 . 14 1 1 A 7 7 TRP HA H 7 4.102 4.371 -0.269 1 1 80 . 14 1 1 A 7 7 TRP CB C 7 29.767 29.073 0.694 1 1 86 . 14 1 1 A 7 7 TRP N N 7 119.790 119.634 0.156 1 1 87 . 14 1 1 A 8 8 SER H H 8 8.301 8.085 0.216 1 1 88 . 14 1 1 A 8 8 SER HA H 8 4.292 4.353 -0.061 1 1 91 . 14 1 1 A 8 8 SER CA C 8 61.099 61.404 -0.305 1 1 92 . 14 1 1 A 8 8 SER CB C 8 62.792 62.749 0.043 1 1 93 . 14 1 1 A 8 8 SER N N 8 112.802 115.903 -3.101 1 1 94 . 14 1 1 A 9 9 SER H H 9 7.860 7.942 -0.082 1 1 95 . 14 1 1 A 9 9 SER HA H 9 4.170 4.305 -0.135 1 1 98 . 14 1 1 A 9 9 SER CA C 9 62.101 60.964 1.137 1 1 99 . 14 1 1 A 9 9 SER CB C 9 62.878 62.956 -0.078 1 1 100 . 14 1 1 A 9 9 SER N N 9 117.763 117.446 0.317 1 1 101 . 14 1 1 A 10 10 LEU H H 10 7.955 7.699 0.256 1 1 102 . 14 1 1 A 10 10 LEU HA H 10 3.883 4.054 -0.171 1 1 112 . 14 1 1 A 10 10 LEU CA C 10 57.879 57.467 0.412 1 1 113 . 14 1 1 A 10 10 LEU CB C 10 41.678 41.522 0.156 1 1 117 . 14 1 1 A 10 10 LEU N N 10 123.815 121.290 2.525 1 1 118 . 14 1 1 A 11 11 ARG H H 11 8.002 8.499 -0.497 1 1 119 . 14 1 1 A 11 11 ARG HA H 11 3.703 4.237 -0.534 1 1 127 . 14 1 1 A 11 11 ARG CA C 11 59.438 58.330 1.108 1 1 128 . 14 1 1 A 11 11 ARG CB C 11 30.468 29.584 0.884 1 1 131 . 14 1 1 A 11 11 ARG N N 11 117.843 118.367 -0.524 1 1 132 . 14 1 1 A 12 12 LYS H H 12 7.721 8.095 -0.374 1 1 133 . 14 1 1 A 12 12 LYS HA H 12 4.083 4.497 -0.414 1 1 145 . 14 1 1 A 12 12 LYS CA C 12 58.953 58.804 0.149 1 1 146 . 14 1 1 A 12 12 LYS CB C 12 32.476 32.412 0.064 1 1 149 . 14 1 1 A 12 12 LYS N N 12 117.972 118.486 -0.514 1 1 150 . 14 1 1 A 13 13 GLY H H 13 8.124 8.478 -0.354 1 1 151 . 14 1 1 A 13 13 GLY HA2 H 13 3.639 3.933 -0.294 1 1 152 . 14 1 1 A 13 13 GLY HA3 H 13 3.639 3.983 -0.344 1 1 153 . 14 1 1 A 13 13 GLY CA C 13 46.415 45.593 0.822 1 1 154 . 14 1 1 A 13 13 GLY N N 13 106.124 108.014 -1.890 1 1 155 . 14 1 1 A 14 14 PHE H H 14 8.162 8.259 -0.097 1 1 156 . 14 1 1 A 14 14 PHE HA H 14 4.263 4.621 -0.358 1 1 164 . 14 1 1 A 14 14 PHE CA C 14 60.406 59.716 0.690 1 1 165 . 14 1 1 A 14 14 PHE CB C 14 39.421 39.254 0.167 1 1 169 . 14 1 1 A 14 14 PHE N N 14 120.405 121.037 -0.632 1 1 170 . 14 1 1 A 15 15 TYR H H 15 8.064 8.464 -0.400 1 1 171 . 14 1 1 A 15 15 TYR HA H 15 4.257 4.487 -0.230 1 1 178 . 14 1 1 A 15 15 TYR CB C 15 38.110 37.165 0.945 1 1 183 . 14 1 1 A 15 15 TYR N N 15 117.269 119.001 -1.732 1 1 184 . 14 1 1 A 16 16 ASP H H 16 8.308 7.590 0.718 1 1 185 . 14 1 1 A 16 16 ASP HA H 16 4.622 3.990 0.632 1 1 188 . 14 1 1 A 16 16 ASP CB C 16 42.115 40.864 1.251 1 1 189 . 14 1 1 A 16 16 ASP N N 16 119.842 120.137 -0.295 1 1 190 . 14 1 1 A 17 17 GLY H H 17 7.907 7.449 0.458 1 1 191 . 14 1 1 A 17 17 GLY HA2 H 17 3.960 3.939 0.021 1 1 192 . 14 1 1 A 17 17 GLY HA3 H 17 3.960 3.970 -0.010 1 1 193 . 14 1 1 A 17 17 GLY CA C 17 46.040 45.428 0.612 1 1 194 . 14 1 1 A 17 17 GLY N N 17 107.867 106.116 1.751 1 1 195 . 14 1 1 A 18 18 GLU H H 18 8.221 8.301 -0.080 1 1 196 . 14 1 1 A 18 18 GLU HA H 18 4.096 3.932 0.164 1 1 201 . 14 1 1 A 18 18 GLU CA C 18 57.759 59.472 -1.713 1 1 202 . 14 1 1 A 18 18 GLU CB C 18 28.496 29.000 -0.504 1 1 204 . 14 1 1 A 18 18 GLU N N 18 119.944 121.196 -1.252 1 1 205 . 14 1 1 A 19 19 ALA H H 19 8.230 7.890 0.340 1 1 206 . 14 1 1 A 19 19 ALA HA H 19 4.063 4.321 -0.258 1 1 210 . 14 1 1 A 19 19 ALA CA C 19 54.338 55.128 -0.790 1 1 211 . 14 1 1 A 19 19 ALA CB C 19 18.409 18.623 -0.214 1 1 212 . 14 1 1 A 19 19 ALA N N 19 121.362 122.396 -1.034 1 1 213 . 14 1 1 A 20 20 GLY H H 20 8.124 8.050 0.074 1 1 214 . 14 1 1 A 20 20 GLY HA2 H 20 3.770 4.067 -0.297 1 1 215 . 14 1 1 A 20 20 GLY HA3 H 20 3.886 4.077 -0.191 1 1 216 . 14 1 1 A 20 20 GLY CA C 20 46.232 45.999 0.233 1 1 217 . 14 1 1 A 20 20 GLY N N 20 104.759 105.438 -0.679 1 1 218 . 14 1 1 A 21 21 ARG H H 21 7.716 8.464 -0.748 1 1 219 . 14 1 1 A 21 21 ARG HA H 21 4.175 4.012 0.163 1 1 227 . 14 1 1 A 21 21 ARG CA C 21 57.374 58.844 -1.470 1 1 228 . 14 1 1 A 21 21 ARG CB C 21 30.682 29.982 0.700 1 1 231 . 14 1 1 A 21 21 ARG N N 21 119.056 122.115 -3.059 1 1 232 . 14 1 1 A 22 22 ALA H H 22 7.987 7.832 0.155 1 1 233 . 14 1 1 A 22 22 ALA HA H 22 4.220 4.107 0.113 1 1 237 . 14 1 1 A 22 22 ALA CA C 22 53.388 54.191 -0.803 1 1 238 . 14 1 1 A 22 22 ALA CB C 22 19.076 18.462 0.614 1 1 239 . 14 1 1 A 22 22 ALA N N 22 121.794 120.939 0.855 1 1 240 . 14 1 1 A 23 23 ILE H H 23 7.655 7.967 -0.312 1 1 241 . 14 1 1 A 23 23 ILE HA H 23 4.105 3.981 0.124 1 1 251 . 14 1 1 A 23 23 ILE CA C 23 61.413 63.259 -1.846 1 1 252 . 14 1 1 A 23 23 ILE CB C 23 38.576 37.903 0.673 1 1 256 . 14 1 1 A 23 23 ILE N N 23 115.088 116.874 -1.786 1 1 257 . 14 1 1 A 24 24 ARG H H 24 7.829 7.805 0.024 1 1 258 . 14 1 1 A 24 24 ARG HA H 24 4.344 3.871 0.473 1 1 266 . 14 1 1 A 24 24 ARG CA C 24 55.897 57.099 -1.202 1 1 267 . 14 1 1 A 24 24 ARG CB C 24 30.663 27.502 3.161 1 1 270 . 14 1 1 A 24 24 ARG N N 24 121.629 118.460 3.169 1 1 4 . 15 1 1 A 2 2 ALA H H 2 8.989 8.194 0.795 1 1 5 . 15 1 1 A 2 2 ALA HA H 2 4.281 4.351 -0.070 1 1 9 . 15 1 1 A 2 2 ALA CA C 2 52.821 52.686 0.135 1 1 10 . 15 1 1 A 2 2 ALA CB C 2 19.251 21.124 -1.873 1 1 11 . 15 1 1 A 2 2 ALA N N 2 124.571 125.084 -0.513 1 1 12 . 15 1 1 A 3 3 TRP H H 3 8.728 8.379 0.349 1 1 13 . 15 1 1 A 3 3 TRP HA H 3 4.564 4.447 0.117 1 1 22 . 15 1 1 A 3 3 TRP CB C 3 28.826 28.055 0.771 1 1 29 . 15 1 1 A 3 3 TRP N N 3 119.557 117.597 1.960 1 1 30 . 15 1 1 A 4 4 LYS H H 4 8.281 7.333 0.948 1 1 31 . 15 1 1 A 4 4 LYS HA H 4 4.286 3.958 0.328 1 1 43 . 15 1 1 A 4 4 LYS CB C 4 32.295 31.945 0.350 1 1 46 . 15 1 1 A 4 4 LYS N N 4 122.295 122.906 -0.611 1 1 47 . 15 1 1 A 5 5 ASN H H 5 8.283 7.947 0.336 1 1 48 . 15 1 1 A 5 5 ASN HA H 5 4.279 4.515 -0.236 1 1 53 . 15 1 1 A 5 5 ASN CB C 5 37.837 38.011 -0.174 1 1 54 . 15 1 1 A 5 5 ASN N N 5 117.820 117.575 0.245 1 1 56 . 15 1 1 A 6 6 PHE H H 6 8.286 8.138 0.148 1 1 57 . 15 1 1 A 6 6 PHE HA H 6 4.291 4.193 0.098 1 1 65 . 15 1 1 A 6 6 PHE CB C 6 39.221 39.087 0.134 1 1 70 . 15 1 1 A 7 7 TRP H H 7 8.297 7.939 0.358 1 1 71 . 15 1 1 A 7 7 TRP HA H 7 4.102 4.362 -0.260 1 1 80 . 15 1 1 A 7 7 TRP CB C 7 29.767 29.276 0.491 1 1 86 . 15 1 1 A 7 7 TRP N N 7 119.790 119.585 0.205 1 1 87 . 15 1 1 A 8 8 SER H H 8 8.301 8.066 0.235 1 1 88 . 15 1 1 A 8 8 SER HA H 8 4.292 4.370 -0.078 1 1 91 . 15 1 1 A 8 8 SER CA C 8 61.099 61.536 -0.437 1 1 92 . 15 1 1 A 8 8 SER CB C 8 62.792 62.542 0.250 1 1 93 . 15 1 1 A 8 8 SER N N 8 112.802 115.815 -3.013 1 1 94 . 15 1 1 A 9 9 SER H H 9 7.860 8.087 -0.227 1 1 95 . 15 1 1 A 9 9 SER HA H 9 4.170 4.108 0.062 1 1 98 . 15 1 1 A 9 9 SER CA C 9 62.101 61.080 1.021 1 1 99 . 15 1 1 A 9 9 SER CB C 9 62.878 63.060 -0.182 1 1 100 . 15 1 1 A 9 9 SER N N 9 117.763 117.278 0.485 1 1 101 . 15 1 1 A 10 10 LEU H H 10 7.955 7.545 0.410 1 1 102 . 15 1 1 A 10 10 LEU HA H 10 3.883 3.695 0.188 1 1 112 . 15 1 1 A 10 10 LEU CA C 10 57.879 58.029 -0.150 1 1 113 . 15 1 1 A 10 10 LEU CB C 10 41.678 41.533 0.145 1 1 117 . 15 1 1 A 10 10 LEU N N 10 123.815 122.039 1.776 1 1 118 . 15 1 1 A 11 11 ARG H H 11 8.002 8.280 -0.278 1 1 119 . 15 1 1 A 11 11 ARG HA H 11 3.703 4.305 -0.602 1 1 127 . 15 1 1 A 11 11 ARG CA C 11 59.438 59.594 -0.156 1 1 128 . 15 1 1 A 11 11 ARG CB C 11 30.468 29.861 0.607 1 1 131 . 15 1 1 A 11 11 ARG N N 11 117.843 117.848 -0.005 1 1 132 . 15 1 1 A 12 12 LYS H H 12 7.721 8.423 -0.702 1 1 133 . 15 1 1 A 12 12 LYS HA H 12 4.083 4.160 -0.077 1 1 145 . 15 1 1 A 12 12 LYS CA C 12 58.953 59.300 -0.347 1 1 146 . 15 1 1 A 12 12 LYS CB C 12 32.476 32.296 0.180 1 1 149 . 15 1 1 A 12 12 LYS N N 12 117.972 119.860 -1.888 1 1 150 . 15 1 1 A 13 13 GLY H H 13 8.124 7.671 0.453 1 1 151 . 15 1 1 A 13 13 GLY HA2 H 13 3.639 3.581 0.058 1 1 152 . 15 1 1 A 13 13 GLY HA3 H 13 3.639 3.714 -0.075 1 1 153 . 15 1 1 A 13 13 GLY CA C 13 46.415 46.717 -0.302 1 1 154 . 15 1 1 A 13 13 GLY N N 13 106.124 108.262 -2.138 1 1 155 . 15 1 1 A 14 14 PHE H H 14 8.162 7.505 0.657 1 1 156 . 15 1 1 A 14 14 PHE HA H 14 4.263 4.564 -0.301 1 1 164 . 15 1 1 A 14 14 PHE CA C 14 60.406 59.723 0.683 1 1 165 . 15 1 1 A 14 14 PHE CB C 14 39.421 38.223 1.198 1 1 169 . 15 1 1 A 14 14 PHE N N 14 120.405 121.270 -0.865 1 1 170 . 15 1 1 A 15 15 TYR H H 15 8.064 8.464 -0.400 1 1 171 . 15 1 1 A 15 15 TYR HA H 15 4.257 4.427 -0.170 1 1 178 . 15 1 1 A 15 15 TYR CB C 15 38.110 37.365 0.745 1 1 183 . 15 1 1 A 15 15 TYR N N 15 117.269 119.039 -1.770 1 1 184 . 15 1 1 A 16 16 ASP H H 16 8.308 8.160 0.148 1 1 185 . 15 1 1 A 16 16 ASP HA H 16 4.622 4.568 0.054 1 1 188 . 15 1 1 A 16 16 ASP CB C 16 42.115 41.255 0.860 1 1 189 . 15 1 1 A 16 16 ASP N N 16 119.842 119.500 0.342 1 1 190 . 15 1 1 A 17 17 GLY H H 17 7.907 7.575 0.332 1 1 191 . 15 1 1 A 17 17 GLY HA2 H 17 3.960 4.045 -0.085 1 1 192 . 15 1 1 A 17 17 GLY HA3 H 17 3.960 4.056 -0.096 1 1 193 . 15 1 1 A 17 17 GLY CA C 17 46.040 45.538 0.502 1 1 194 . 15 1 1 A 17 17 GLY N N 17 107.867 106.123 1.744 1 1 195 . 15 1 1 A 18 18 GLU H H 18 8.221 8.499 -0.278 1 1 196 . 15 1 1 A 18 18 GLU HA H 18 4.096 4.149 -0.053 1 1 201 . 15 1 1 A 18 18 GLU CA C 18 57.759 59.565 -1.806 1 1 202 . 15 1 1 A 18 18 GLU CB C 18 28.496 29.405 -0.909 1 1 204 . 15 1 1 A 18 18 GLU N N 18 119.944 121.363 -1.419 1 1 205 . 15 1 1 A 19 19 ALA H H 19 8.230 8.002 0.228 1 1 206 . 15 1 1 A 19 19 ALA HA H 19 4.063 4.073 -0.010 1 1 210 . 15 1 1 A 19 19 ALA CA C 19 54.338 55.039 -0.701 1 1 211 . 15 1 1 A 19 19 ALA CB C 19 18.409 18.520 -0.111 1 1 212 . 15 1 1 A 19 19 ALA N N 19 121.362 122.570 -1.208 1 1 213 . 15 1 1 A 20 20 GLY H H 20 8.124 7.952 0.172 1 1 214 . 15 1 1 A 20 20 GLY HA2 H 20 3.770 4.143 -0.373 1 1 215 . 15 1 1 A 20 20 GLY HA3 H 20 3.886 4.151 -0.265 1 1 216 . 15 1 1 A 20 20 GLY CA C 20 46.232 45.810 0.422 1 1 217 . 15 1 1 A 20 20 GLY N N 20 104.759 105.383 -0.624 1 1 218 . 15 1 1 A 21 21 ARG H H 21 7.716 8.388 -0.672 1 1 219 . 15 1 1 A 21 21 ARG HA H 21 4.175 4.068 0.107 1 1 227 . 15 1 1 A 21 21 ARG CA C 21 57.374 58.998 -1.624 1 1 228 . 15 1 1 A 21 21 ARG CB C 21 30.682 29.825 0.857 1 1 231 . 15 1 1 A 21 21 ARG N N 21 119.056 122.352 -3.296 1 1 232 . 15 1 1 A 22 22 ALA H H 22 7.987 8.147 -0.160 1 1 233 . 15 1 1 A 22 22 ALA HA H 22 4.220 4.172 0.048 1 1 237 . 15 1 1 A 22 22 ALA CA C 22 53.388 54.331 -0.943 1 1 238 . 15 1 1 A 22 22 ALA CB C 22 19.076 18.605 0.471 1 1 239 . 15 1 1 A 22 22 ALA N N 22 121.794 121.279 0.515 1 1 240 . 15 1 1 A 23 23 ILE H H 23 7.655 7.239 0.416 1 1 241 . 15 1 1 A 23 23 ILE HA H 23 4.105 4.189 -0.084 1 1 251 . 15 1 1 A 23 23 ILE CA C 23 61.413 60.872 0.541 1 1 252 . 15 1 1 A 23 23 ILE CB C 23 38.576 38.082 0.494 1 1 256 . 15 1 1 A 23 23 ILE N N 23 115.088 114.925 0.163 1 1 257 . 15 1 1 A 24 24 ARG H H 24 7.829 8.232 -0.403 1 1 258 . 15 1 1 A 24 24 ARG HA H 24 4.344 3.887 0.457 1 1 266 . 15 1 1 A 24 24 ARG CA C 24 55.897 57.052 -1.155 1 1 267 . 15 1 1 A 24 24 ARG CB C 24 30.663 27.987 2.676 1 1 270 . 15 1 1 A 24 24 ARG N N 24 121.629 119.106 2.523 1 1 4 . 16 1 1 A 2 2 ALA H H 2 8.989 8.398 0.591 1 1 5 . 16 1 1 A 2 2 ALA HA H 2 4.281 4.445 -0.164 1 1 9 . 16 1 1 A 2 2 ALA CA C 2 52.821 52.752 0.069 1 1 10 . 16 1 1 A 2 2 ALA CB C 2 19.251 21.353 -2.102 1 1 11 . 16 1 1 A 2 2 ALA N N 2 124.571 123.819 0.752 1 1 12 . 16 1 1 A 3 3 TRP H H 3 8.728 8.594 0.134 1 1 13 . 16 1 1 A 3 3 TRP HA H 3 4.564 4.540 0.024 1 1 22 . 16 1 1 A 3 3 TRP CB C 3 28.826 28.261 0.565 1 1 29 . 16 1 1 A 3 3 TRP N N 3 119.557 117.631 1.926 1 1 30 . 16 1 1 A 4 4 LYS H H 4 8.281 7.444 0.837 1 1 31 . 16 1 1 A 4 4 LYS HA H 4 4.286 3.664 0.622 1 1 43 . 16 1 1 A 4 4 LYS CB C 4 32.295 31.328 0.967 1 1 46 . 16 1 1 A 4 4 LYS N N 4 122.295 118.088 4.207 1 1 47 . 16 1 1 A 5 5 ASN H H 5 8.283 8.033 0.250 1 1 48 . 16 1 1 A 5 5 ASN HA H 5 4.279 4.513 -0.234 1 1 53 . 16 1 1 A 5 5 ASN CB C 5 37.837 38.703 -0.866 1 1 54 . 16 1 1 A 5 5 ASN N N 5 117.820 118.212 -0.392 1 1 56 . 16 1 1 A 6 6 PHE H H 6 8.286 7.891 0.395 1 1 57 . 16 1 1 A 6 6 PHE HA H 6 4.291 4.132 0.159 1 1 65 . 16 1 1 A 6 6 PHE CB C 6 39.221 39.494 -0.273 1 1 70 . 16 1 1 A 7 7 TRP H H 7 8.297 8.521 -0.224 1 1 71 . 16 1 1 A 7 7 TRP HA H 7 4.102 3.886 0.216 1 1 80 . 16 1 1 A 7 7 TRP CB C 7 29.767 28.989 0.778 1 1 86 . 16 1 1 A 7 7 TRP N N 7 119.790 119.530 0.260 1 1 87 . 16 1 1 A 8 8 SER H H 8 8.301 8.454 -0.153 1 1 88 . 16 1 1 A 8 8 SER HA H 8 4.292 4.390 -0.098 1 1 91 . 16 1 1 A 8 8 SER CA C 8 61.099 61.424 -0.325 1 1 92 . 16 1 1 A 8 8 SER CB C 8 62.792 62.426 0.366 1 1 93 . 16 1 1 A 8 8 SER N N 8 112.802 115.924 -3.122 1 1 94 . 16 1 1 A 9 9 SER H H 9 7.860 8.108 -0.248 1 1 95 . 16 1 1 A 9 9 SER HA H 9 4.170 4.214 -0.044 1 1 98 . 16 1 1 A 9 9 SER CA C 9 62.101 61.231 0.870 1 1 99 . 16 1 1 A 9 9 SER CB C 9 62.878 63.112 -0.234 1 1 100 . 16 1 1 A 9 9 SER N N 9 117.763 117.528 0.235 1 1 101 . 16 1 1 A 10 10 LEU H H 10 7.955 7.423 0.532 1 1 102 . 16 1 1 A 10 10 LEU HA H 10 3.883 4.183 -0.300 1 1 112 . 16 1 1 A 10 10 LEU CA C 10 57.879 56.804 1.075 1 1 113 . 16 1 1 A 10 10 LEU CB C 10 41.678 41.571 0.107 1 1 117 . 16 1 1 A 10 10 LEU N N 10 123.815 122.529 1.286 1 1 118 . 16 1 1 A 11 11 ARG H H 11 8.002 8.320 -0.318 1 1 119 . 16 1 1 A 11 11 ARG HA H 11 3.703 3.896 -0.193 1 1 127 . 16 1 1 A 11 11 ARG CA C 11 59.438 60.316 -0.878 1 1 128 . 16 1 1 A 11 11 ARG CB C 11 30.468 30.118 0.350 1 1 131 . 16 1 1 A 11 11 ARG N N 11 117.843 118.962 -1.119 1 1 132 . 16 1 1 A 12 12 LYS H H 12 7.721 7.997 -0.276 1 1 133 . 16 1 1 A 12 12 LYS HA H 12 4.083 4.124 -0.041 1 1 145 . 16 1 1 A 12 12 LYS CA C 12 58.953 59.328 -0.375 1 1 146 . 16 1 1 A 12 12 LYS CB C 12 32.476 32.311 0.165 1 1 149 . 16 1 1 A 12 12 LYS N N 12 117.972 118.232 -0.260 1 1 150 . 16 1 1 A 13 13 GLY H H 13 8.124 8.318 -0.194 1 1 151 . 16 1 1 A 13 13 GLY HA2 H 13 3.639 3.826 -0.187 1 1 152 . 16 1 1 A 13 13 GLY HA3 H 13 3.639 3.863 -0.224 1 1 153 . 16 1 1 A 13 13 GLY CA C 13 46.415 46.926 -0.511 1 1 154 . 16 1 1 A 13 13 GLY N N 13 106.124 108.568 -2.444 1 1 155 . 16 1 1 A 14 14 PHE H H 14 8.162 8.155 0.007 1 1 156 . 16 1 1 A 14 14 PHE HA H 14 4.263 4.646 -0.383 1 1 164 . 16 1 1 A 14 14 PHE CA C 14 60.406 59.705 0.701 1 1 165 . 16 1 1 A 14 14 PHE CB C 14 39.421 39.042 0.379 1 1 169 . 16 1 1 A 14 14 PHE N N 14 120.405 121.278 -0.873 1 1 170 . 16 1 1 A 15 15 TYR H H 15 8.064 8.696 -0.632 1 1 171 . 16 1 1 A 15 15 TYR HA H 15 4.257 4.362 -0.105 1 1 178 . 16 1 1 A 15 15 TYR CB C 15 38.110 37.473 0.637 1 1 183 . 16 1 1 A 15 15 TYR N N 15 117.269 118.966 -1.697 1 1 184 . 16 1 1 A 16 16 ASP H H 16 8.308 8.144 0.164 1 1 185 . 16 1 1 A 16 16 ASP HA H 16 4.622 4.599 0.023 1 1 188 . 16 1 1 A 16 16 ASP CB C 16 42.115 41.246 0.869 1 1 189 . 16 1 1 A 16 16 ASP N N 16 119.842 119.840 0.002 1 1 190 . 16 1 1 A 17 17 GLY H H 17 7.907 7.607 0.300 1 1 191 . 16 1 1 A 17 17 GLY HA2 H 17 3.960 3.996 -0.036 1 1 192 . 16 1 1 A 17 17 GLY HA3 H 17 3.960 4.008 -0.048 1 1 193 . 16 1 1 A 17 17 GLY CA C 17 46.040 45.527 0.513 1 1 194 . 16 1 1 A 17 17 GLY N N 17 107.867 106.109 1.758 1 1 195 . 16 1 1 A 18 18 GLU H H 18 8.221 8.373 -0.152 1 1 196 . 16 1 1 A 18 18 GLU HA H 18 4.096 3.918 0.178 1 1 201 . 16 1 1 A 18 18 GLU CA C 18 57.759 59.473 -1.714 1 1 202 . 16 1 1 A 18 18 GLU CB C 18 28.496 29.017 -0.521 1 1 204 . 16 1 1 A 18 18 GLU N N 18 119.944 121.143 -1.199 1 1 205 . 16 1 1 A 19 19 ALA H H 19 8.230 7.738 0.492 1 1 206 . 16 1 1 A 19 19 ALA HA H 19 4.063 3.948 0.115 1 1 210 . 16 1 1 A 19 19 ALA CA C 19 54.338 54.937 -0.599 1 1 211 . 16 1 1 A 19 19 ALA CB C 19 18.409 18.478 -0.069 1 1 212 . 16 1 1 A 19 19 ALA N N 19 121.362 122.193 -0.831 1 1 213 . 16 1 1 A 20 20 GLY H H 20 8.124 7.997 0.127 1 1 214 . 16 1 1 A 20 20 GLY HA2 H 20 3.770 4.023 -0.253 1 1 215 . 16 1 1 A 20 20 GLY HA3 H 20 3.886 4.026 -0.140 1 1 216 . 16 1 1 A 20 20 GLY CA C 20 46.232 45.934 0.298 1 1 217 . 16 1 1 A 20 20 GLY N N 20 104.759 105.355 -0.596 1 1 218 . 16 1 1 A 21 21 ARG H H 21 7.716 8.419 -0.703 1 1 219 . 16 1 1 A 21 21 ARG HA H 21 4.175 4.002 0.173 1 1 227 . 16 1 1 A 21 21 ARG CA C 21 57.374 58.682 -1.308 1 1 228 . 16 1 1 A 21 21 ARG CB C 21 30.682 29.982 0.700 1 1 231 . 16 1 1 A 21 21 ARG N N 21 119.056 122.059 -3.003 1 1 232 . 16 1 1 A 22 22 ALA H H 22 7.987 7.291 0.696 1 1 233 . 16 1 1 A 22 22 ALA HA H 22 4.220 4.097 0.123 1 1 237 . 16 1 1 A 22 22 ALA CA C 22 53.388 54.098 -0.710 1 1 238 . 16 1 1 A 22 22 ALA CB C 22 19.076 18.077 0.999 1 1 239 . 16 1 1 A 22 22 ALA N N 22 121.794 121.332 0.462 1 1 240 . 16 1 1 A 23 23 ILE H H 23 7.655 7.746 -0.091 1 1 241 . 16 1 1 A 23 23 ILE HA H 23 4.105 4.153 -0.048 1 1 251 . 16 1 1 A 23 23 ILE CA C 23 61.413 61.036 0.377 1 1 252 . 16 1 1 A 23 23 ILE CB C 23 38.576 38.053 0.523 1 1 256 . 16 1 1 A 23 23 ILE N N 23 115.088 115.017 0.071 1 1 257 . 16 1 1 A 24 24 ARG H H 24 7.829 7.882 -0.053 1 1 258 . 16 1 1 A 24 24 ARG HA H 24 4.344 3.966 0.378 1 1 266 . 16 1 1 A 24 24 ARG CA C 24 55.897 57.445 -1.548 1 1 267 . 16 1 1 A 24 24 ARG CB C 24 30.663 26.744 3.919 1 1 270 . 16 1 1 A 24 24 ARG N N 24 121.629 118.740 2.889 1 1 4 . 17 1 1 A 2 2 ALA H H 2 8.989 8.574 0.415 1 1 5 . 17 1 1 A 2 2 ALA HA H 2 4.281 4.439 -0.158 1 1 9 . 17 1 1 A 2 2 ALA CA C 2 52.821 53.205 -0.384 1 1 10 . 17 1 1 A 2 2 ALA CB C 2 19.251 21.059 -1.808 1 1 11 . 17 1 1 A 2 2 ALA N N 2 124.571 124.017 0.554 1 1 12 . 17 1 1 A 3 3 TRP H H 3 8.728 8.657 0.071 1 1 13 . 17 1 1 A 3 3 TRP HA H 3 4.564 4.563 0.001 1 1 22 . 17 1 1 A 3 3 TRP CB C 3 28.826 28.222 0.604 1 1 29 . 17 1 1 A 3 3 TRP N N 3 119.557 118.688 0.869 1 1 30 . 17 1 1 A 4 4 LYS H H 4 8.281 7.403 0.878 1 1 31 . 17 1 1 A 4 4 LYS HA H 4 4.286 3.672 0.614 1 1 43 . 17 1 1 A 4 4 LYS CB C 4 32.295 31.376 0.919 1 1 46 . 17 1 1 A 4 4 LYS N N 4 122.295 118.096 4.199 1 1 47 . 17 1 1 A 5 5 ASN H H 5 8.283 7.817 0.466 1 1 48 . 17 1 1 A 5 5 ASN HA H 5 4.279 4.461 -0.182 1 1 53 . 17 1 1 A 5 5 ASN CB C 5 37.837 38.229 -0.392 1 1 54 . 17 1 1 A 5 5 ASN N N 5 117.820 118.474 -0.654 1 1 56 . 17 1 1 A 6 6 PHE H H 6 8.286 8.058 0.228 1 1 57 . 17 1 1 A 6 6 PHE HA H 6 4.291 4.167 0.124 1 1 65 . 17 1 1 A 6 6 PHE CB C 6 39.221 39.533 -0.312 1 1 70 . 17 1 1 A 7 7 TRP H H 7 8.297 8.587 -0.290 1 1 71 . 17 1 1 A 7 7 TRP HA H 7 4.102 4.030 0.072 1 1 80 . 17 1 1 A 7 7 TRP CB C 7 29.767 28.976 0.791 1 1 86 . 17 1 1 A 7 7 TRP N N 7 119.790 119.587 0.203 1 1 87 . 17 1 1 A 8 8 SER H H 8 8.301 8.326 -0.025 1 1 88 . 17 1 1 A 8 8 SER HA H 8 4.292 4.116 0.176 1 1 91 . 17 1 1 A 8 8 SER CA C 8 61.099 61.614 -0.515 1 1 92 . 17 1 1 A 8 8 SER CB C 8 62.792 63.003 -0.211 1 1 93 . 17 1 1 A 8 8 SER N N 8 112.802 115.424 -2.622 1 1 94 . 17 1 1 A 9 9 SER H H 9 7.860 8.137 -0.277 1 1 95 . 17 1 1 A 9 9 SER HA H 9 4.170 4.154 0.016 1 1 98 . 17 1 1 A 9 9 SER CA C 9 62.101 61.239 0.862 1 1 99 . 17 1 1 A 9 9 SER CB C 9 62.878 63.057 -0.179 1 1 100 . 17 1 1 A 9 9 SER N N 9 117.763 115.760 2.003 1 1 101 . 17 1 1 A 10 10 LEU H H 10 7.955 7.552 0.403 1 1 102 . 17 1 1 A 10 10 LEU HA H 10 3.883 3.936 -0.053 1 1 112 . 17 1 1 A 10 10 LEU CA C 10 57.879 56.645 1.234 1 1 113 . 17 1 1 A 10 10 LEU CB C 10 41.678 41.559 0.119 1 1 117 . 17 1 1 A 10 10 LEU N N 10 123.815 122.459 1.356 1 1 118 . 17 1 1 A 11 11 ARG H H 11 8.002 8.579 -0.577 1 1 119 . 17 1 1 A 11 11 ARG HA H 11 3.703 4.204 -0.501 1 1 127 . 17 1 1 A 11 11 ARG CA C 11 59.438 60.514 -1.076 1 1 128 . 17 1 1 A 11 11 ARG CB C 11 30.468 30.242 0.226 1 1 131 . 17 1 1 A 11 11 ARG N N 11 117.843 119.346 -1.503 1 1 132 . 17 1 1 A 12 12 LYS H H 12 7.721 7.951 -0.230 1 1 133 . 17 1 1 A 12 12 LYS HA H 12 4.083 4.110 -0.027 1 1 145 . 17 1 1 A 12 12 LYS CA C 12 58.953 59.284 -0.331 1 1 146 . 17 1 1 A 12 12 LYS CB C 12 32.476 32.275 0.201 1 1 149 . 17 1 1 A 12 12 LYS N N 12 117.972 118.155 -0.183 1 1 150 . 17 1 1 A 13 13 GLY H H 13 8.124 8.073 0.051 1 1 151 . 17 1 1 A 13 13 GLY HA2 H 13 3.639 3.526 0.113 1 1 152 . 17 1 1 A 13 13 GLY HA3 H 13 3.639 3.682 -0.043 1 1 153 . 17 1 1 A 13 13 GLY CA C 13 46.415 46.671 -0.256 1 1 154 . 17 1 1 A 13 13 GLY N N 13 106.124 108.197 -2.073 1 1 155 . 17 1 1 A 14 14 PHE H H 14 8.162 7.726 0.436 1 1 156 . 17 1 1 A 14 14 PHE HA H 14 4.263 4.595 -0.332 1 1 164 . 17 1 1 A 14 14 PHE CA C 14 60.406 60.041 0.365 1 1 165 . 17 1 1 A 14 14 PHE CB C 14 39.421 38.805 0.616 1 1 169 . 17 1 1 A 14 14 PHE N N 14 120.405 121.291 -0.886 1 1 170 . 17 1 1 A 15 15 TYR H H 15 8.064 8.523 -0.459 1 1 171 . 17 1 1 A 15 15 TYR HA H 15 4.257 4.383 -0.126 1 1 178 . 17 1 1 A 15 15 TYR CB C 15 38.110 37.639 0.471 1 1 183 . 17 1 1 A 15 15 TYR N N 15 117.269 119.483 -2.214 1 1 184 . 17 1 1 A 16 16 ASP H H 16 8.308 8.160 0.148 1 1 185 . 17 1 1 A 16 16 ASP HA H 16 4.622 4.590 0.032 1 1 188 . 17 1 1 A 16 16 ASP CB C 16 42.115 41.271 0.844 1 1 189 . 17 1 1 A 16 16 ASP N N 16 119.842 119.779 0.063 1 1 190 . 17 1 1 A 17 17 GLY H H 17 7.907 7.588 0.319 1 1 191 . 17 1 1 A 17 17 GLY HA2 H 17 3.960 4.046 -0.086 1 1 192 . 17 1 1 A 17 17 GLY HA3 H 17 3.960 4.053 -0.093 1 1 193 . 17 1 1 A 17 17 GLY CA C 17 46.040 45.573 0.467 1 1 194 . 17 1 1 A 17 17 GLY N N 17 107.867 106.154 1.713 1 1 195 . 17 1 1 A 18 18 GLU H H 18 8.221 8.511 -0.290 1 1 196 . 17 1 1 A 18 18 GLU HA H 18 4.096 4.128 -0.032 1 1 201 . 17 1 1 A 18 18 GLU CA C 18 57.759 59.847 -2.088 1 1 202 . 17 1 1 A 18 18 GLU CB C 18 28.496 29.402 -0.906 1 1 204 . 17 1 1 A 18 18 GLU N N 18 119.944 121.331 -1.387 1 1 205 . 17 1 1 A 19 19 ALA H H 19 8.230 8.001 0.229 1 1 206 . 17 1 1 A 19 19 ALA HA H 19 4.063 4.059 0.004 1 1 210 . 17 1 1 A 19 19 ALA CA C 19 54.338 55.039 -0.701 1 1 211 . 17 1 1 A 19 19 ALA CB C 19 18.409 18.379 0.030 1 1 212 . 17 1 1 A 19 19 ALA N N 19 121.362 122.524 -1.162 1 1 213 . 17 1 1 A 20 20 GLY H H 20 8.124 8.110 0.014 1 1 214 . 17 1 1 A 20 20 GLY HA2 H 20 3.770 4.073 -0.303 1 1 215 . 17 1 1 A 20 20 GLY HA3 H 20 3.886 4.083 -0.197 1 1 216 . 17 1 1 A 20 20 GLY CA C 20 46.232 46.061 0.171 1 1 217 . 17 1 1 A 20 20 GLY N N 20 104.759 105.458 -0.699 1 1 218 . 17 1 1 A 21 21 ARG H H 21 7.716 8.508 -0.792 1 1 219 . 17 1 1 A 21 21 ARG HA H 21 4.175 4.018 0.157 1 1 227 . 17 1 1 A 21 21 ARG CA C 21 57.374 58.997 -1.623 1 1 228 . 17 1 1 A 21 21 ARG CB C 21 30.682 29.820 0.862 1 1 231 . 17 1 1 A 21 21 ARG N N 21 119.056 122.117 -3.061 1 1 232 . 17 1 1 A 22 22 ALA H H 22 7.987 7.349 0.638 1 1 233 . 17 1 1 A 22 22 ALA HA H 22 4.220 4.248 -0.028 1 1 237 . 17 1 1 A 22 22 ALA CA C 22 53.388 53.800 -0.412 1 1 238 . 17 1 1 A 22 22 ALA CB C 22 19.076 18.578 0.498 1 1 239 . 17 1 1 A 22 22 ALA N N 22 121.794 120.092 1.702 1 1 240 . 17 1 1 A 23 23 ILE H H 23 7.655 7.826 -0.171 1 1 241 . 17 1 1 A 23 23 ILE HA H 23 4.105 4.407 -0.302 1 1 251 . 17 1 1 A 23 23 ILE CA C 23 61.413 61.345 0.068 1 1 252 . 17 1 1 A 23 23 ILE CB C 23 38.576 37.737 0.839 1 1 256 . 17 1 1 A 23 23 ILE N N 23 115.088 116.034 -0.946 1 1 257 . 17 1 1 A 24 24 ARG H H 24 7.829 7.723 0.106 1 1 258 . 17 1 1 A 24 24 ARG HA H 24 4.344 4.021 0.323 1 1 266 . 17 1 1 A 24 24 ARG CA C 24 55.897 59.252 -3.355 1 1 267 . 17 1 1 A 24 24 ARG CB C 24 30.663 30.011 0.652 1 1 270 . 17 1 1 A 24 24 ARG N N 24 121.629 123.437 -1.808 1 1 4 . 18 1 1 A 2 2 ALA H H 2 8.989 8.056 0.933 1 1 5 . 18 1 1 A 2 2 ALA HA H 2 4.281 4.316 -0.035 1 1 9 . 18 1 1 A 2 2 ALA CA C 2 52.821 52.678 0.143 1 1 10 . 18 1 1 A 2 2 ALA CB C 2 19.251 21.151 -1.900 1 1 11 . 18 1 1 A 2 2 ALA N N 2 124.571 126.729 -2.158 1 1 12 . 18 1 1 A 3 3 TRP H H 3 8.728 8.363 0.365 1 1 13 . 18 1 1 A 3 3 TRP HA H 3 4.564 4.572 -0.008 1 1 22 . 18 1 1 A 3 3 TRP CB C 3 28.826 28.204 0.622 1 1 29 . 18 1 1 A 3 3 TRP N N 3 119.557 117.635 1.922 1 1 30 . 18 1 1 A 4 4 LYS H H 4 8.281 7.440 0.841 1 1 31 . 18 1 1 A 4 4 LYS HA H 4 4.286 4.136 0.150 1 1 43 . 18 1 1 A 4 4 LYS CB C 4 32.295 31.752 0.543 1 1 46 . 18 1 1 A 4 4 LYS N N 4 122.295 118.887 3.408 1 1 47 . 18 1 1 A 5 5 ASN H H 5 8.283 8.016 0.267 1 1 48 . 18 1 1 A 5 5 ASN HA H 5 4.279 4.456 -0.177 1 1 53 . 18 1 1 A 5 5 ASN CB C 5 37.837 38.011 -0.174 1 1 54 . 18 1 1 A 5 5 ASN N N 5 117.820 118.545 -0.725 1 1 56 . 18 1 1 A 6 6 PHE H H 6 8.286 8.107 0.179 1 1 57 . 18 1 1 A 6 6 PHE HA H 6 4.291 4.199 0.092 1 1 65 . 18 1 1 A 6 6 PHE CB C 6 39.221 39.147 0.074 1 1 70 . 18 1 1 A 7 7 TRP H H 7 8.297 8.696 -0.399 1 1 71 . 18 1 1 A 7 7 TRP HA H 7 4.102 4.256 -0.154 1 1 80 . 18 1 1 A 7 7 TRP CB C 7 29.767 29.401 0.366 1 1 86 . 18 1 1 A 7 7 TRP N N 7 119.790 119.620 0.170 1 1 87 . 18 1 1 A 8 8 SER H H 8 8.301 8.127 0.174 1 1 88 . 18 1 1 A 8 8 SER HA H 8 4.292 4.340 -0.048 1 1 91 . 18 1 1 A 8 8 SER CA C 8 61.099 61.379 -0.280 1 1 92 . 18 1 1 A 8 8 SER CB C 8 62.792 62.508 0.284 1 1 93 . 18 1 1 A 8 8 SER N N 8 112.802 116.075 -3.273 1 1 94 . 18 1 1 A 9 9 SER H H 9 7.860 7.990 -0.130 1 1 95 . 18 1 1 A 9 9 SER HA H 9 4.170 4.206 -0.036 1 1 98 . 18 1 1 A 9 9 SER CA C 9 62.101 60.922 1.179 1 1 99 . 18 1 1 A 9 9 SER CB C 9 62.878 63.303 -0.425 1 1 100 . 18 1 1 A 9 9 SER N N 9 117.763 117.652 0.111 1 1 101 . 18 1 1 A 10 10 LEU H H 10 7.955 7.390 0.565 1 1 102 . 18 1 1 A 10 10 LEU HA H 10 3.883 4.000 -0.117 1 1 112 . 18 1 1 A 10 10 LEU CA C 10 57.879 56.560 1.319 1 1 113 . 18 1 1 A 10 10 LEU CB C 10 41.678 41.784 -0.106 1 1 117 . 18 1 1 A 10 10 LEU N N 10 123.815 121.577 2.238 1 1 118 . 18 1 1 A 11 11 ARG H H 11 8.002 8.416 -0.414 1 1 119 . 18 1 1 A 11 11 ARG HA H 11 3.703 4.308 -0.605 1 1 127 . 18 1 1 A 11 11 ARG CA C 11 59.438 58.192 1.246 1 1 128 . 18 1 1 A 11 11 ARG CB C 11 30.468 29.614 0.854 1 1 131 . 18 1 1 A 11 11 ARG N N 11 117.843 118.726 -0.883 1 1 132 . 18 1 1 A 12 12 LYS H H 12 7.721 7.425 0.296 1 1 133 . 18 1 1 A 12 12 LYS HA H 12 4.083 3.982 0.101 1 1 145 . 18 1 1 A 12 12 LYS CA C 12 58.953 58.764 0.189 1 1 146 . 18 1 1 A 12 12 LYS CB C 12 32.476 32.211 0.265 1 1 149 . 18 1 1 A 12 12 LYS N N 12 117.972 118.263 -0.291 1 1 150 . 18 1 1 A 13 13 GLY H H 13 8.124 8.011 0.113 1 1 151 . 18 1 1 A 13 13 GLY HA2 H 13 3.639 3.618 0.021 1 1 152 . 18 1 1 A 13 13 GLY HA3 H 13 3.639 3.729 -0.090 1 1 153 . 18 1 1 A 13 13 GLY CA C 13 46.415 46.582 -0.167 1 1 154 . 18 1 1 A 13 13 GLY N N 13 106.124 108.447 -2.323 1 1 155 . 18 1 1 A 14 14 PHE H H 14 8.162 7.848 0.314 1 1 156 . 18 1 1 A 14 14 PHE HA H 14 4.263 4.699 -0.436 1 1 164 . 18 1 1 A 14 14 PHE CA C 14 60.406 59.950 0.456 1 1 165 . 18 1 1 A 14 14 PHE CB C 14 39.421 39.046 0.375 1 1 169 . 18 1 1 A 14 14 PHE N N 14 120.405 121.315 -0.910 1 1 170 . 18 1 1 A 15 15 TYR H H 15 8.064 8.262 -0.198 1 1 171 . 18 1 1 A 15 15 TYR HA H 15 4.257 4.384 -0.127 1 1 178 . 18 1 1 A 15 15 TYR CB C 15 38.110 37.374 0.736 1 1 183 . 18 1 1 A 15 15 TYR N N 15 117.269 118.927 -1.658 1 1 184 . 18 1 1 A 16 16 ASP H H 16 8.308 8.183 0.125 1 1 185 . 18 1 1 A 16 16 ASP HA H 16 4.622 4.576 0.046 1 1 188 . 18 1 1 A 16 16 ASP CB C 16 42.115 41.268 0.847 1 1 189 . 18 1 1 A 16 16 ASP N N 16 119.842 119.803 0.039 1 1 190 . 18 1 1 A 17 17 GLY H H 17 7.907 7.613 0.294 1 1 191 . 18 1 1 A 17 17 GLY HA2 H 17 3.960 4.033 -0.073 1 1 192 . 18 1 1 A 17 17 GLY HA3 H 17 3.960 4.034 -0.074 1 1 193 . 18 1 1 A 17 17 GLY CA C 17 46.040 45.550 0.490 1 1 194 . 18 1 1 A 17 17 GLY N N 17 107.867 106.120 1.747 1 1 195 . 18 1 1 A 18 18 GLU H H 18 8.221 8.490 -0.269 1 1 196 . 18 1 1 A 18 18 GLU HA H 18 4.096 4.118 -0.022 1 1 201 . 18 1 1 A 18 18 GLU CA C 18 57.759 59.665 -1.906 1 1 202 . 18 1 1 A 18 18 GLU CB C 18 28.496 29.296 -0.800 1 1 204 . 18 1 1 A 18 18 GLU N N 18 119.944 121.343 -1.399 1 1 205 . 18 1 1 A 19 19 ALA H H 19 8.230 8.154 0.076 1 1 206 . 18 1 1 A 19 19 ALA HA H 19 4.063 4.249 -0.186 1 1 210 . 18 1 1 A 19 19 ALA CA C 19 54.338 55.284 -0.946 1 1 211 . 18 1 1 A 19 19 ALA CB C 19 18.409 18.496 -0.087 1 1 212 . 18 1 1 A 19 19 ALA N N 19 121.362 122.515 -1.153 1 1 213 . 18 1 1 A 20 20 GLY H H 20 8.124 8.010 0.114 1 1 214 . 18 1 1 A 20 20 GLY HA2 H 20 3.770 4.134 -0.364 1 1 215 . 18 1 1 A 20 20 GLY HA3 H 20 3.886 4.139 -0.253 1 1 216 . 18 1 1 A 20 20 GLY CA C 20 46.232 45.833 0.399 1 1 217 . 18 1 1 A 20 20 GLY N N 20 104.759 105.365 -0.606 1 1 218 . 18 1 1 A 21 21 ARG H H 21 7.716 8.520 -0.804 1 1 219 . 18 1 1 A 21 21 ARG HA H 21 4.175 4.001 0.174 1 1 227 . 18 1 1 A 21 21 ARG CA C 21 57.374 59.053 -1.679 1 1 228 . 18 1 1 A 21 21 ARG CB C 21 30.682 30.175 0.507 1 1 231 . 18 1 1 A 21 21 ARG N N 21 119.056 121.953 -2.897 1 1 232 . 18 1 1 A 22 22 ALA H H 22 7.987 7.813 0.174 1 1 233 . 18 1 1 A 22 22 ALA HA H 22 4.220 4.166 0.054 1 1 237 . 18 1 1 A 22 22 ALA CA C 22 53.388 54.336 -0.948 1 1 238 . 18 1 1 A 22 22 ALA CB C 22 19.076 18.558 0.518 1 1 239 . 18 1 1 A 22 22 ALA N N 22 121.794 121.627 0.167 1 1 240 . 18 1 1 A 23 23 ILE H H 23 7.655 8.074 -0.419 1 1 241 . 18 1 1 A 23 23 ILE HA H 23 4.105 4.021 0.084 1 1 251 . 18 1 1 A 23 23 ILE CA C 23 61.413 62.740 -1.327 1 1 252 . 18 1 1 A 23 23 ILE CB C 23 38.576 37.863 0.713 1 1 256 . 18 1 1 A 23 23 ILE N N 23 115.088 116.224 -1.136 1 1 257 . 18 1 1 A 24 24 ARG H H 24 7.829 7.992 -0.163 1 1 258 . 18 1 1 A 24 24 ARG HA H 24 4.344 3.863 0.481 1 1 266 . 18 1 1 A 24 24 ARG CA C 24 55.897 57.074 -1.177 1 1 267 . 18 1 1 A 24 24 ARG CB C 24 30.663 28.008 2.655 1 1 270 . 18 1 1 A 24 24 ARG N N 24 121.629 118.574 3.055 1 1 4 . 19 1 1 A 2 2 ALA H H 2 8.989 8.442 0.547 1 1 5 . 19 1 1 A 2 2 ALA HA H 2 4.281 3.920 0.361 1 1 9 . 19 1 1 A 2 2 ALA CA C 2 52.821 54.287 -1.466 1 1 10 . 19 1 1 A 2 2 ALA CB C 2 19.251 18.460 0.791 1 1 11 . 19 1 1 A 2 2 ALA N N 2 124.571 125.445 -0.874 1 1 12 . 19 1 1 A 3 3 TRP H H 3 8.728 8.081 0.647 1 1 13 . 19 1 1 A 3 3 TRP HA H 3 4.564 4.499 0.065 1 1 22 . 19 1 1 A 3 3 TRP CB C 3 28.826 28.130 0.696 1 1 29 . 19 1 1 A 3 3 TRP N N 3 119.557 118.024 1.533 1 1 30 . 19 1 1 A 4 4 LYS H H 4 8.281 7.256 1.025 1 1 31 . 19 1 1 A 4 4 LYS HA H 4 4.286 4.180 0.106 1 1 43 . 19 1 1 A 4 4 LYS CB C 4 32.295 31.805 0.490 1 1 46 . 19 1 1 A 4 4 LYS N N 4 122.295 118.639 3.656 1 1 47 . 19 1 1 A 5 5 ASN H H 5 8.283 8.021 0.262 1 1 48 . 19 1 1 A 5 5 ASN HA H 5 4.279 4.479 -0.200 1 1 53 . 19 1 1 A 5 5 ASN CB C 5 37.837 38.072 -0.235 1 1 54 . 19 1 1 A 5 5 ASN N N 5 117.820 118.693 -0.873 1 1 56 . 19 1 1 A 6 6 PHE H H 6 8.286 8.058 0.228 1 1 57 . 19 1 1 A 6 6 PHE HA H 6 4.291 4.278 0.013 1 1 65 . 19 1 1 A 6 6 PHE CB C 6 39.221 38.963 0.258 1 1 70 . 19 1 1 A 7 7 TRP H H 7 8.297 8.329 -0.032 1 1 71 . 19 1 1 A 7 7 TRP HA H 7 4.102 4.263 -0.161 1 1 80 . 19 1 1 A 7 7 TRP CB C 7 29.767 29.409 0.358 1 1 86 . 19 1 1 A 7 7 TRP N N 7 119.790 119.759 0.031 1 1 87 . 19 1 1 A 8 8 SER H H 8 8.301 8.037 0.264 1 1 88 . 19 1 1 A 8 8 SER HA H 8 4.292 4.391 -0.099 1 1 91 . 19 1 1 A 8 8 SER CA C 8 61.099 61.458 -0.359 1 1 92 . 19 1 1 A 8 8 SER CB C 8 62.792 62.694 0.098 1 1 93 . 19 1 1 A 8 8 SER N N 8 112.802 115.849 -3.047 1 1 94 . 19 1 1 A 9 9 SER H H 9 7.860 8.091 -0.231 1 1 95 . 19 1 1 A 9 9 SER HA H 9 4.170 4.285 -0.115 1 1 98 . 19 1 1 A 9 9 SER CA C 9 62.101 60.988 1.113 1 1 99 . 19 1 1 A 9 9 SER CB C 9 62.878 63.117 -0.239 1 1 100 . 19 1 1 A 9 9 SER N N 9 117.763 117.557 0.206 1 1 101 . 19 1 1 A 10 10 LEU H H 10 7.955 7.676 0.279 1 1 102 . 19 1 1 A 10 10 LEU HA H 10 3.883 4.031 -0.148 1 1 112 . 19 1 1 A 10 10 LEU CA C 10 57.879 57.630 0.249 1 1 113 . 19 1 1 A 10 10 LEU CB C 10 41.678 41.825 -0.147 1 1 117 . 19 1 1 A 10 10 LEU N N 10 123.815 121.817 1.998 1 1 118 . 19 1 1 A 11 11 ARG H H 11 8.002 8.411 -0.409 1 1 119 . 19 1 1 A 11 11 ARG HA H 11 3.703 4.416 -0.713 1 1 127 . 19 1 1 A 11 11 ARG CA C 11 59.438 58.354 1.084 1 1 128 . 19 1 1 A 11 11 ARG CB C 11 30.468 29.462 1.006 1 1 131 . 19 1 1 A 11 11 ARG N N 11 117.843 118.760 -0.917 1 1 132 . 19 1 1 A 12 12 LYS H H 12 7.721 7.832 -0.111 1 1 133 . 19 1 1 A 12 12 LYS HA H 12 4.083 4.144 -0.061 1 1 145 . 19 1 1 A 12 12 LYS CA C 12 58.953 59.321 -0.368 1 1 146 . 19 1 1 A 12 12 LYS CB C 12 32.476 32.255 0.221 1 1 149 . 19 1 1 A 12 12 LYS N N 12 117.972 119.242 -1.270 1 1 150 . 19 1 1 A 13 13 GLY H H 13 8.124 7.996 0.128 1 1 151 . 19 1 1 A 13 13 GLY HA2 H 13 3.639 3.758 -0.119 1 1 152 . 19 1 1 A 13 13 GLY HA3 H 13 3.639 3.856 -0.217 1 1 153 . 19 1 1 A 13 13 GLY CA C 13 46.415 46.321 0.094 1 1 154 . 19 1 1 A 13 13 GLY N N 13 106.124 108.586 -2.462 1 1 155 . 19 1 1 A 14 14 PHE H H 14 8.162 7.547 0.615 1 1 156 . 19 1 1 A 14 14 PHE HA H 14 4.263 4.614 -0.351 1 1 164 . 19 1 1 A 14 14 PHE CA C 14 60.406 59.616 0.790 1 1 165 . 19 1 1 A 14 14 PHE CB C 14 39.421 38.229 1.192 1 1 169 . 19 1 1 A 14 14 PHE N N 14 120.405 121.236 -0.831 1 1 170 . 19 1 1 A 15 15 TYR H H 15 8.064 8.571 -0.507 1 1 171 . 19 1 1 A 15 15 TYR HA H 15 4.257 4.463 -0.206 1 1 178 . 19 1 1 A 15 15 TYR CB C 15 38.110 37.452 0.658 1 1 183 . 19 1 1 A 15 15 TYR N N 15 117.269 118.832 -1.563 1 1 184 . 19 1 1 A 16 16 ASP H H 16 8.308 8.081 0.227 1 1 185 . 19 1 1 A 16 16 ASP HA H 16 4.622 4.604 0.018 1 1 188 . 19 1 1 A 16 16 ASP CB C 16 42.115 41.187 0.928 1 1 189 . 19 1 1 A 16 16 ASP N N 16 119.842 120.059 -0.217 1 1 190 . 19 1 1 A 17 17 GLY H H 17 7.907 7.530 0.377 1 1 191 . 19 1 1 A 17 17 GLY HA2 H 17 3.960 4.032 -0.072 1 1 192 . 19 1 1 A 17 17 GLY HA3 H 17 3.960 4.050 -0.090 1 1 193 . 19 1 1 A 17 17 GLY CA C 17 46.040 45.554 0.486 1 1 194 . 19 1 1 A 17 17 GLY N N 17 107.867 106.275 1.592 1 1 195 . 19 1 1 A 18 18 GLU H H 18 8.221 8.431 -0.210 1 1 196 . 19 1 1 A 18 18 GLU HA H 18 4.096 4.053 0.043 1 1 201 . 19 1 1 A 18 18 GLU CA C 18 57.759 59.663 -1.904 1 1 202 . 19 1 1 A 18 18 GLU CB C 18 28.496 29.159 -0.663 1 1 204 . 19 1 1 A 18 18 GLU N N 18 119.944 121.042 -1.098 1 1 205 . 19 1 1 A 19 19 ALA H H 19 8.230 8.123 0.107 1 1 206 . 19 1 1 A 19 19 ALA HA H 19 4.063 4.341 -0.278 1 1 210 . 19 1 1 A 19 19 ALA CA C 19 54.338 55.169 -0.831 1 1 211 . 19 1 1 A 19 19 ALA CB C 19 18.409 18.442 -0.033 1 1 212 . 19 1 1 A 19 19 ALA N N 19 121.362 122.543 -1.181 1 1 213 . 19 1 1 A 20 20 GLY H H 20 8.124 8.106 0.018 1 1 214 . 19 1 1 A 20 20 GLY HA2 H 20 3.770 4.116 -0.346 1 1 215 . 19 1 1 A 20 20 GLY HA3 H 20 3.886 4.119 -0.233 1 1 216 . 19 1 1 A 20 20 GLY CA C 20 46.232 45.749 0.483 1 1 217 . 19 1 1 A 20 20 GLY N N 20 104.759 105.589 -0.830 1 1 218 . 19 1 1 A 21 21 ARG H H 21 7.716 8.507 -0.791 1 1 219 . 19 1 1 A 21 21 ARG HA H 21 4.175 4.054 0.121 1 1 227 . 19 1 1 A 21 21 ARG CA C 21 57.374 58.704 -1.330 1 1 228 . 19 1 1 A 21 21 ARG CB C 21 30.682 30.105 0.577 1 1 231 . 19 1 1 A 21 21 ARG N N 21 119.056 122.093 -3.037 1 1 232 . 19 1 1 A 22 22 ALA H H 22 7.987 7.783 0.204 1 1 233 . 19 1 1 A 22 22 ALA HA H 22 4.220 4.053 0.167 1 1 237 . 19 1 1 A 22 22 ALA CA C 22 53.388 54.917 -1.529 1 1 238 . 19 1 1 A 22 22 ALA CB C 22 19.076 18.986 0.090 1 1 239 . 19 1 1 A 22 22 ALA N N 22 121.794 122.351 -0.557 1 1 240 . 19 1 1 A 23 23 ILE H H 23 7.655 7.798 -0.143 1 1 241 . 19 1 1 A 23 23 ILE HA H 23 4.105 4.057 0.048 1 1 251 . 19 1 1 A 23 23 ILE CA C 23 61.413 61.873 -0.460 1 1 252 . 19 1 1 A 23 23 ILE CB C 23 38.576 37.876 0.700 1 1 256 . 19 1 1 A 23 23 ILE N N 23 115.088 114.071 1.017 1 1 257 . 19 1 1 A 24 24 ARG H H 24 7.829 7.640 0.189 1 1 258 . 19 1 1 A 24 24 ARG HA H 24 4.344 3.882 0.462 1 1 266 . 19 1 1 A 24 24 ARG CA C 24 55.897 57.085 -1.188 1 1 267 . 19 1 1 A 24 24 ARG CB C 24 30.663 28.037 2.626 1 1 270 . 19 1 1 A 24 24 ARG N N 24 121.629 117.689 3.940 1 1 4 . 20 1 1 A 2 2 ALA H H 2 8.989 8.429 0.560 1 1 5 . 20 1 1 A 2 2 ALA HA H 2 4.281 4.415 -0.134 1 1 9 . 20 1 1 A 2 2 ALA CA C 2 52.821 52.943 -0.122 1 1 10 . 20 1 1 A 2 2 ALA CB C 2 19.251 21.153 -1.902 1 1 11 . 20 1 1 A 2 2 ALA N N 2 124.571 121.597 2.974 1 1 12 . 20 1 1 A 3 3 TRP H H 3 8.728 8.565 0.163 1 1 13 . 20 1 1 A 3 3 TRP HA H 3 4.564 4.514 0.050 1 1 22 . 20 1 1 A 3 3 TRP CB C 3 28.826 28.287 0.539 1 1 29 . 20 1 1 A 3 3 TRP N N 3 119.557 117.946 1.611 1 1 30 . 20 1 1 A 4 4 LYS H H 4 8.281 7.408 0.873 1 1 31 . 20 1 1 A 4 4 LYS HA H 4 4.286 3.850 0.436 1 1 43 . 20 1 1 A 4 4 LYS CB C 4 32.295 31.442 0.853 1 1 46 . 20 1 1 A 4 4 LYS N N 4 122.295 118.495 3.800 1 1 47 . 20 1 1 A 5 5 ASN H H 5 8.283 8.048 0.235 1 1 48 . 20 1 1 A 5 5 ASN HA H 5 4.279 4.489 -0.210 1 1 53 . 20 1 1 A 5 5 ASN CB C 5 37.837 38.418 -0.581 1 1 54 . 20 1 1 A 5 5 ASN N N 5 117.820 118.452 -0.632 1 1 56 . 20 1 1 A 6 6 PHE H H 6 8.286 8.055 0.231 1 1 57 . 20 1 1 A 6 6 PHE HA H 6 4.291 4.176 0.115 1 1 65 . 20 1 1 A 6 6 PHE CB C 6 39.221 39.675 -0.454 1 1 70 . 20 1 1 A 7 7 TRP H H 7 8.297 8.450 -0.153 1 1 71 . 20 1 1 A 7 7 TRP HA H 7 4.102 4.076 0.026 1 1 80 . 20 1 1 A 7 7 TRP CB C 7 29.767 29.243 0.524 1 1 86 . 20 1 1 A 7 7 TRP N N 7 119.790 119.208 0.582 1 1 87 . 20 1 1 A 8 8 SER H H 8 8.301 8.141 0.160 1 1 88 . 20 1 1 A 8 8 SER HA H 8 4.292 4.347 -0.055 1 1 91 . 20 1 1 A 8 8 SER CA C 8 61.099 61.347 -0.248 1 1 92 . 20 1 1 A 8 8 SER CB C 8 62.792 62.512 0.280 1 1 93 . 20 1 1 A 8 8 SER N N 8 112.802 116.621 -3.819 1 1 94 . 20 1 1 A 9 9 SER H H 9 7.860 7.843 0.017 1 1 95 . 20 1 1 A 9 9 SER HA H 9 4.170 4.270 -0.100 1 1 98 . 20 1 1 A 9 9 SER CA C 9 62.101 60.906 1.195 1 1 99 . 20 1 1 A 9 9 SER CB C 9 62.878 63.013 -0.135 1 1 100 . 20 1 1 A 9 9 SER N N 9 117.763 117.601 0.162 1 1 101 . 20 1 1 A 10 10 LEU H H 10 7.955 7.337 0.618 1 1 102 . 20 1 1 A 10 10 LEU HA H 10 3.883 4.160 -0.277 1 1 112 . 20 1 1 A 10 10 LEU CA C 10 57.879 57.417 0.462 1 1 113 . 20 1 1 A 10 10 LEU CB C 10 41.678 41.782 -0.104 1 1 117 . 20 1 1 A 10 10 LEU N N 10 123.815 120.598 3.217 1 1 118 . 20 1 1 A 11 11 ARG H H 11 8.002 8.056 -0.054 1 1 119 . 20 1 1 A 11 11 ARG HA H 11 3.703 4.390 -0.687 1 1 127 . 20 1 1 A 11 11 ARG CA C 11 59.438 58.959 0.479 1 1 128 . 20 1 1 A 11 11 ARG CB C 11 30.468 29.796 0.672 1 1 131 . 20 1 1 A 11 11 ARG N N 11 117.843 118.528 -0.685 1 1 132 . 20 1 1 A 12 12 LYS H H 12 7.721 7.775 -0.054 1 1 133 . 20 1 1 A 12 12 LYS HA H 12 4.083 4.074 0.009 1 1 145 . 20 1 1 A 12 12 LYS CA C 12 58.953 59.279 -0.326 1 1 146 . 20 1 1 A 12 12 LYS CB C 12 32.476 32.322 0.154 1 1 149 . 20 1 1 A 12 12 LYS N N 12 117.972 119.530 -1.558 1 1 150 . 20 1 1 A 13 13 GLY H H 13 8.124 8.408 -0.284 1 1 151 . 20 1 1 A 13 13 GLY HA2 H 13 3.639 3.657 -0.018 1 1 152 . 20 1 1 A 13 13 GLY HA3 H 13 3.639 3.729 -0.090 1 1 153 . 20 1 1 A 13 13 GLY CA C 13 46.415 46.820 -0.405 1 1 154 . 20 1 1 A 13 13 GLY N N 13 106.124 108.277 -2.153 1 1 155 . 20 1 1 A 14 14 PHE H H 14 8.162 8.082 0.080 1 1 156 . 20 1 1 A 14 14 PHE HA H 14 4.263 4.626 -0.363 1 1 164 . 20 1 1 A 14 14 PHE CA C 14 60.406 60.089 0.317 1 1 165 . 20 1 1 A 14 14 PHE CB C 14 39.421 38.859 0.562 1 1 169 . 20 1 1 A 14 14 PHE N N 14 120.405 121.299 -0.894 1 1 170 . 20 1 1 A 15 15 TYR H H 15 8.064 8.705 -0.641 1 1 171 . 20 1 1 A 15 15 TYR HA H 15 4.257 4.248 0.009 1 1 178 . 20 1 1 A 15 15 TYR CB C 15 38.110 38.023 0.087 1 1 183 . 20 1 1 A 15 15 TYR N N 15 117.269 120.640 -3.371 1 1 184 . 20 1 1 A 16 16 ASP H H 16 8.308 8.026 0.282 1 1 185 . 20 1 1 A 16 16 ASP HA H 16 4.622 4.563 0.059 1 1 188 . 20 1 1 A 16 16 ASP CB C 16 42.115 41.193 0.922 1 1 189 . 20 1 1 A 16 16 ASP N N 16 119.842 119.353 0.489 1 1 190 . 20 1 1 A 17 17 GLY H H 17 7.907 7.619 0.288 1 1 191 . 20 1 1 A 17 17 GLY HA2 H 17 3.960 3.957 0.003 1 1 192 . 20 1 1 A 17 17 GLY HA3 H 17 3.960 3.981 -0.021 1 1 193 . 20 1 1 A 17 17 GLY CA C 17 46.040 45.244 0.796 1 1 194 . 20 1 1 A 17 17 GLY N N 17 107.867 106.622 1.245 1 1 195 . 20 1 1 A 18 18 GLU H H 18 8.221 8.322 -0.101 1 1 196 . 20 1 1 A 18 18 GLU HA H 18 4.096 4.098 -0.002 1 1 201 . 20 1 1 A 18 18 GLU CA C 18 57.759 59.047 -1.288 1 1 202 . 20 1 1 A 18 18 GLU CB C 18 28.496 29.151 -0.655 1 1 204 . 20 1 1 A 18 18 GLU N N 18 119.944 120.094 -0.150 1 1 205 . 20 1 1 A 19 19 ALA H H 19 8.230 7.831 0.399 1 1 206 . 20 1 1 A 19 19 ALA HA H 19 4.063 4.240 -0.177 1 1 210 . 20 1 1 A 19 19 ALA CA C 19 54.338 54.976 -0.638 1 1 211 . 20 1 1 A 19 19 ALA CB C 19 18.409 18.464 -0.055 1 1 212 . 20 1 1 A 19 19 ALA N N 19 121.362 122.987 -1.625 1 1 213 . 20 1 1 A 20 20 GLY H H 20 8.124 8.036 0.088 1 1 214 . 20 1 1 A 20 20 GLY HA2 H 20 3.770 3.996 -0.226 1 1 215 . 20 1 1 A 20 20 GLY HA3 H 20 3.886 4.008 -0.122 1 1 216 . 20 1 1 A 20 20 GLY CA C 20 46.232 46.032 0.200 1 1 217 . 20 1 1 A 20 20 GLY N N 20 104.759 106.219 -1.460 1 1 218 . 20 1 1 A 21 21 ARG H H 21 7.716 8.024 -0.308 1 1 219 . 20 1 1 A 21 21 ARG HA H 21 4.175 4.103 0.072 1 1 227 . 20 1 1 A 21 21 ARG CA C 21 57.374 58.589 -1.215 1 1 228 . 20 1 1 A 21 21 ARG CB C 21 30.682 29.852 0.830 1 1 231 . 20 1 1 A 21 21 ARG N N 21 119.056 121.932 -2.876 1 1 232 . 20 1 1 A 22 22 ALA H H 22 7.987 8.290 -0.303 1 1 233 . 20 1 1 A 22 22 ALA HA H 22 4.220 4.183 0.037 1 1 237 . 20 1 1 A 22 22 ALA CA C 22 53.388 54.205 -0.817 1 1 238 . 20 1 1 A 22 22 ALA CB C 22 19.076 18.431 0.645 1 1 239 . 20 1 1 A 22 22 ALA N N 22 121.794 121.290 0.504 1 1 240 . 20 1 1 A 23 23 ILE H H 23 7.655 7.610 0.045 1 1 241 . 20 1 1 A 23 23 ILE HA H 23 4.105 4.414 -0.309 1 1 251 . 20 1 1 A 23 23 ILE CA C 23 61.413 61.165 0.248 1 1 252 . 20 1 1 A 23 23 ILE CB C 23 38.576 37.709 0.867 1 1 256 . 20 1 1 A 23 23 ILE N N 23 115.088 115.361 -0.273 1 1 257 . 20 1 1 A 24 24 ARG H H 24 7.829 7.403 0.426 1 1 258 . 20 1 1 A 24 24 ARG HA H 24 4.344 4.143 0.201 1 1 266 . 20 1 1 A 24 24 ARG CA C 24 55.897 58.826 -2.929 1 1 267 . 20 1 1 A 24 24 ARG CB C 24 30.663 30.238 0.425 1 1 270 . 20 1 1 A 24 24 ARG N N 24 121.629 123.616 -1.987 1 stop_ loop_ _SPARTA_output.Data_ID _SPARTA_output.Assigned_chem_shift_list_ID _SPARTA_output.Conformer_ID _SPARTA_output.Entity_ID _SPARTA_output.Data_type _SPARTA_output.Data_atom _SPARTA_output.Data_num_shifts _SPARTA_output.Data_value _SPARTA_output.Entity_delta_chem_shifts_ID 1 1 1 1 "RMS(OBS, PRED)" C 0 0.000 1 2 1 1 1 "RMS(OBS, PRED)" CA 16 1.039 1 3 1 1 1 "RMS(OBS, PRED)" CB 20 1.119 1 4 1 1 1 "RMS(OBS, PRED)" H 23 0.390 1 5 1 1 1 "RMS(OBS, PRED)" HA 26 0.241 1 6 1 1 1 "RMS(OBS, PRED)" N 22 1.716 1 7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1 8 1 2 1 "RMS(OBS, PRED)" CA 16 0.996 1 9 1 2 1 "RMS(OBS, PRED)" CB 20 1.096 1 10 1 2 1 "RMS(OBS, PRED)" H 23 0.374 1 11 1 2 1 "RMS(OBS, PRED)" HA 26 0.203 1 12 1 2 1 "RMS(OBS, PRED)" N 22 1.940 1 13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1 14 1 3 1 "RMS(OBS, PRED)" CA 16 1.098 1 15 1 3 1 "RMS(OBS, PRED)" CB 20 0.840 1 16 1 3 1 "RMS(OBS, PRED)" H 23 0.389 1 17 1 3 1 "RMS(OBS, PRED)" HA 26 0.229 1 18 1 3 1 "RMS(OBS, PRED)" N 22 1.851 1 19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1 20 1 4 1 "RMS(OBS, PRED)" CA 16 0.925 1 21 1 4 1 "RMS(OBS, PRED)" CB 20 1.102 1 22 1 4 1 "RMS(OBS, PRED)" H 23 0.398 1 23 1 4 1 "RMS(OBS, PRED)" HA 26 0.192 1 24 1 4 1 "RMS(OBS, PRED)" N 22 1.945 1 25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1 26 1 5 1 "RMS(OBS, PRED)" CA 16 0.937 1 27 1 5 1 "RMS(OBS, PRED)" CB 20 0.855 1 28 1 5 1 "RMS(OBS, PRED)" H 23 0.395 1 29 1 5 1 "RMS(OBS, PRED)" HA 26 0.227 1 30 1 5 1 "RMS(OBS, PRED)" N 22 1.737 1 31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1 32 1 6 1 "RMS(OBS, PRED)" CA 16 1.175 1 33 1 6 1 "RMS(OBS, PRED)" CB 20 0.646 1 34 1 6 1 "RMS(OBS, PRED)" H 23 0.406 1 35 1 6 1 "RMS(OBS, PRED)" HA 26 0.235 1 36 1 6 1 "RMS(OBS, PRED)" N 22 1.938 1 37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1 38 1 7 1 "RMS(OBS, PRED)" CA 16 0.975 1 39 1 7 1 "RMS(OBS, PRED)" CB 20 0.892 1 40 1 7 1 "RMS(OBS, PRED)" H 23 0.459 1 41 1 7 1 "RMS(OBS, PRED)" HA 26 0.242 1 42 1 7 1 "RMS(OBS, PRED)" N 22 1.894 1 43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1 44 1 8 1 "RMS(OBS, PRED)" CA 16 1.026 1 45 1 8 1 "RMS(OBS, PRED)" CB 20 0.808 1 46 1 8 1 "RMS(OBS, PRED)" H 23 0.434 1 47 1 8 1 "RMS(OBS, PRED)" HA 26 0.245 1 48 1 8 1 "RMS(OBS, PRED)" N 22 1.918 1 49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1 50 1 9 1 "RMS(OBS, PRED)" CA 16 0.945 1 51 1 9 1 "RMS(OBS, PRED)" CB 20 1.078 1 52 1 9 1 "RMS(OBS, PRED)" H 23 0.400 1 53 1 9 1 "RMS(OBS, PRED)" HA 26 0.181 1 54 1 9 1 "RMS(OBS, PRED)" N 22 1.772 1 55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1 56 1 10 1 "RMS(OBS, PRED)" CA 16 1.045 1 57 1 10 1 "RMS(OBS, PRED)" CB 20 1.095 1 58 1 10 1 "RMS(OBS, PRED)" H 23 0.421 1 59 1 10 1 "RMS(OBS, PRED)" HA 26 0.200 1 60 1 10 1 "RMS(OBS, PRED)" N 22 2.185 1 61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1 62 1 11 1 "RMS(OBS, PRED)" CA 16 1.017 1 63 1 11 1 "RMS(OBS, PRED)" CB 20 0.858 1 64 1 11 1 "RMS(OBS, PRED)" H 23 0.478 1 65 1 11 1 "RMS(OBS, PRED)" HA 26 0.230 1 66 1 11 1 "RMS(OBS, PRED)" N 22 1.846 1 67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1 68 1 12 1 "RMS(OBS, PRED)" CA 16 0.819 1 69 1 12 1 "RMS(OBS, PRED)" CB 20 0.961 1 70 1 12 1 "RMS(OBS, PRED)" H 23 0.430 1 71 1 12 1 "RMS(OBS, PRED)" HA 26 0.234 1 72 1 12 1 "RMS(OBS, PRED)" N 22 1.908 1 73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1 74 1 13 1 "RMS(OBS, PRED)" CA 16 0.928 1 75 1 13 1 "RMS(OBS, PRED)" CB 20 1.038 1 76 1 13 1 "RMS(OBS, PRED)" H 23 0.406 1 77 1 13 1 "RMS(OBS, PRED)" HA 26 0.233 1 78 1 13 1 "RMS(OBS, PRED)" N 22 1.851 1 79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1 80 1 14 1 "RMS(OBS, PRED)" CA 16 1.020 1 81 1 14 1 "RMS(OBS, PRED)" CB 20 1.028 1 82 1 14 1 "RMS(OBS, PRED)" H 23 0.416 1 83 1 14 1 "RMS(OBS, PRED)" HA 26 0.288 1 84 1 14 1 "RMS(OBS, PRED)" N 22 1.967 1 85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1 86 1 15 1 "RMS(OBS, PRED)" CA 16 0.868 1 87 1 15 1 "RMS(OBS, PRED)" CB 20 0.945 1 88 1 15 1 "RMS(OBS, PRED)" H 23 0.460 1 89 1 15 1 "RMS(OBS, PRED)" HA 26 0.225 1 90 1 15 1 "RMS(OBS, PRED)" N 22 1.598 1 91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1 92 1 16 1 "RMS(OBS, PRED)" CA 16 0.898 1 93 1 16 1 "RMS(OBS, PRED)" CB 20 1.173 1 94 1 16 1 "RMS(OBS, PRED)" H 23 0.410 1 95 1 16 1 "RMS(OBS, PRED)" HA 26 0.223 1 96 1 16 1 "RMS(OBS, PRED)" N 22 1.796 1 97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1 98 1 17 1 "RMS(OBS, PRED)" CA 16 1.246 1 99 1 17 1 "RMS(OBS, PRED)" CB 20 0.718 1 100 1 17 1 "RMS(OBS, PRED)" H 23 0.408 1 101 1 17 1 "RMS(OBS, PRED)" HA 26 0.224 1 102 1 17 1 "RMS(OBS, PRED)" N 22 1.790 1 103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1 104 1 18 1 "RMS(OBS, PRED)" CA 16 1.060 1 105 1 18 1 "RMS(OBS, PRED)" CB 20 0.908 1 106 1 18 1 "RMS(OBS, PRED)" H 23 0.417 1 107 1 18 1 "RMS(OBS, PRED)" HA 26 0.220 1 108 1 18 1 "RMS(OBS, PRED)" N 22 1.850 1 109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1 110 1 19 1 "RMS(OBS, PRED)" CA 16 1.034 1 111 1 19 1 "RMS(OBS, PRED)" CB 20 0.847 1 112 1 19 1 "RMS(OBS, PRED)" H 23 0.421 1 113 1 19 1 "RMS(OBS, PRED)" HA 26 0.247 1 114 1 19 1 "RMS(OBS, PRED)" N 22 1.879 1 115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1 116 1 20 1 "RMS(OBS, PRED)" CA 16 1.028 1 117 1 20 1 "RMS(OBS, PRED)" CB 20 0.714 1 118 1 20 1 "RMS(OBS, PRED)" H 23 0.360 1 119 1 20 1 "RMS(OBS, PRED)" HA 26 0.220 1 120 1 20 1 "RMS(OBS, PRED)" N 22 2.075 1 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.Conformer_type "average" _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.Assigned_chem_shift_list_ID _Delta_CS.Atom_chem_shift_ID _Delta_CS.Assembly_atom_ID _Delta_CS.Entity_assembly_ID _Delta_CS.Entity_ID _Delta_CS.PDB_asym_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.Sparta_CS_value _Delta_CS.Delta_CS_value _Delta_CS.Entity_delta_chem_shifts_ID 1 4 . 1 1 A 2 2 ALA H H 2 8.989 8.371 0.618 2 1 5 . 1 1 A 2 2 ALA HA H 2 4.281 4.232 0.049 2 1 9 . 1 1 A 2 2 ALA CA C 2 52.821 53.272 -0.451 2 1 10 . 1 1 A 2 2 ALA CB C 2 19.251 20.210 -0.959 2 1 11 . 1 1 A 2 2 ALA N N 2 124.571 123.905 0.666 2 1 12 . 1 1 A 3 3 TRP H H 3 8.728 8.349 0.379 2 1 13 . 1 1 A 3 3 TRP HA H 3 4.564 4.527 0.037 2 1 22 . 1 1 A 3 3 TRP CB C 3 28.826 28.165 0.661 2 1 29 . 1 1 A 3 3 TRP N N 3 119.557 117.902 1.655 2 1 30 . 1 1 A 4 4 LYS H H 4 8.281 7.320 0.961 2 1 31 . 1 1 A 4 4 LYS HA H 4 4.286 3.969 0.317 2 1 43 . 1 1 A 4 4 LYS CB C 4 32.295 31.718 0.577 2 1 46 . 1 1 A 4 4 LYS N N 4 122.295 119.459 2.836 2 1 47 . 1 1 A 5 5 ASN H H 5 8.283 8.033 0.250 2 1 48 . 1 1 A 5 5 ASN HA H 5 4.279 4.483 -0.204 2 1 53 . 1 1 A 5 5 ASN CB C 5 37.837 38.260 -0.423 2 1 54 . 1 1 A 5 5 ASN N N 5 117.820 118.342 -0.522 2 1 56 . 1 1 A 6 6 PHE H H 6 8.286 8.009 0.277 2 1 57 . 1 1 A 6 6 PHE HA H 6 4.291 4.208 0.083 2 1 65 . 1 1 A 6 6 PHE CB C 6 39.221 39.228 -0.007 2 1 70 . 1 1 A 7 7 TRP H H 7 8.297 8.484 -0.187 2 1 71 . 1 1 A 7 7 TRP HA H 7 4.102 4.152 -0.050 2 1 80 . 1 1 A 7 7 TRP CB C 7 29.767 29.276 0.491 2 1 86 . 1 1 A 7 7 TRP N N 7 119.790 119.471 0.319 2 1 87 . 1 1 A 8 8 SER H H 8 8.301 8.199 0.102 2 1 88 . 1 1 A 8 8 SER HA H 8 4.292 4.297 -0.005 2 1 91 . 1 1 A 8 8 SER CA C 8 61.099 61.504 -0.405 2 1 92 . 1 1 A 8 8 SER CB C 8 62.792 62.720 0.072 2 1 93 . 1 1 A 8 8 SER N N 8 112.802 115.759 -2.957 2 1 94 . 1 1 A 9 9 SER H H 9 7.860 7.948 -0.088 2 1 95 . 1 1 A 9 9 SER HA H 9 4.170 4.225 -0.055 2 1 98 . 1 1 A 9 9 SER CA C 9 62.101 61.109 0.992 2 1 99 . 1 1 A 9 9 SER CB C 9 62.878 63.064 -0.186 2 1 100 . 1 1 A 9 9 SER N N 9 117.763 116.987 0.776 2 1 101 . 1 1 A 10 10 LEU H H 10 7.955 7.553 0.403 2 1 102 . 1 1 A 10 10 LEU HA H 10 3.883 4.048 -0.165 2 1 112 . 1 1 A 10 10 LEU CA C 10 57.879 57.212 0.667 2 1 113 . 1 1 A 10 10 LEU CB C 10 41.678 41.746 -0.068 2 1 117 . 1 1 A 10 10 LEU N N 10 123.815 121.872 1.943 2 1 118 . 1 1 A 11 11 ARG H H 11 8.002 8.337 -0.335 2 1 119 . 1 1 A 11 11 ARG HA H 11 3.703 4.219 -0.516 2 1 127 . 1 1 A 11 11 ARG CA C 11 59.438 59.281 0.157 2 1 128 . 1 1 A 11 11 ARG CB C 11 30.468 29.819 0.649 2 1 131 . 1 1 A 11 11 ARG N N 11 117.843 118.749 -0.906 2 1 132 . 1 1 A 12 12 LYS H H 12 7.721 7.895 -0.174 2 1 133 . 1 1 A 12 12 LYS HA H 12 4.083 4.128 -0.045 2 1 145 . 1 1 A 12 12 LYS CA C 12 58.953 59.180 -0.227 2 1 146 . 1 1 A 12 12 LYS CB C 12 32.476 32.274 0.202 2 1 149 . 1 1 A 12 12 LYS N N 12 117.972 118.912 -0.940 2 1 150 . 1 1 A 13 13 GLY H H 13 8.124 8.146 -0.022 2 1 151 . 1 1 A 13 13 GLY HA2 H 13 3.639 3.725 -0.086 2 1 152 . 1 1 A 13 13 GLY HA3 H 13 3.639 3.805 -0.166 2 1 153 . 1 1 A 13 13 GLY CA C 13 46.415 46.647 -0.232 2 1 154 . 1 1 A 13 13 GLY N N 13 106.124 108.473 -2.349 2 1 155 . 1 1 A 14 14 PHE H H 14 8.162 8.019 0.143 2 1 156 . 1 1 A 14 14 PHE HA H 14 4.263 4.634 -0.371 2 1 164 . 1 1 A 14 14 PHE CA C 14 60.406 59.838 0.568 2 1 165 . 1 1 A 14 14 PHE CB C 14 39.421 38.706 0.715 2 1 169 . 1 1 A 14 14 PHE N N 14 120.405 121.265 -0.860 2 1 170 . 1 1 A 15 15 TYR H H 15 8.064 8.459 -0.395 2 1 171 . 1 1 A 15 15 TYR HA H 15 4.257 4.402 -0.145 2 1 178 . 1 1 A 15 15 TYR CB C 15 38.110 37.567 0.543 2 1 183 . 1 1 A 15 15 TYR N N 15 117.269 119.399 -2.130 2 1 184 . 1 1 A 16 16 ASP H H 16 8.308 8.105 0.203 2 1 185 . 1 1 A 16 16 ASP HA H 16 4.622 4.561 0.061 2 1 188 . 1 1 A 16 16 ASP CB C 16 42.115 41.242 0.873 2 1 189 . 1 1 A 16 16 ASP N N 16 119.842 119.671 0.171 2 1 190 . 1 1 A 17 17 GLY H H 17 7.907 7.595 0.312 2 1 191 . 1 1 A 17 17 GLY HA2 H 17 3.960 4.017 -0.057 2 1 192 . 1 1 A 17 17 GLY HA3 H 17 3.960 4.028 -0.068 2 1 193 . 1 1 A 17 17 GLY CA C 17 46.040 45.513 0.527 2 1 194 . 1 1 A 17 17 GLY N N 17 107.867 106.201 1.666 2 1 195 . 1 1 A 18 18 GLU H H 18 8.221 8.426 -0.205 2 1 196 . 1 1 A 18 18 GLU HA H 18 4.096 4.046 0.050 2 1 201 . 1 1 A 18 18 GLU CA C 18 57.759 59.600 -1.841 2 1 202 . 1 1 A 18 18 GLU CB C 18 28.496 29.109 -0.613 2 1 204 . 1 1 A 18 18 GLU N N 18 119.944 121.212 -1.268 2 1 205 . 1 1 A 19 19 ALA H H 19 8.230 8.020 0.210 2 1 206 . 1 1 A 19 19 ALA HA H 19 4.063 4.163 -0.100 2 1 210 . 1 1 A 19 19 ALA CA C 19 54.338 55.096 -0.758 2 1 211 . 1 1 A 19 19 ALA CB C 19 18.409 18.466 -0.057 2 1 212 . 1 1 A 19 19 ALA N N 19 121.362 122.481 -1.119 2 1 213 . 1 1 A 20 20 GLY H H 20 8.124 8.018 0.106 2 1 214 . 1 1 A 20 20 GLY HA2 H 20 3.770 4.071 -0.301 2 1 215 . 1 1 A 20 20 GLY HA3 H 20 3.886 4.078 -0.192 2 1 216 . 1 1 A 20 20 GLY CA C 20 46.232 45.882 0.350 2 1 217 . 1 1 A 20 20 GLY N N 20 104.759 105.514 -0.755 2 1 218 . 1 1 A 21 21 ARG H H 21 7.716 8.434 -0.718 2 1 219 . 1 1 A 21 21 ARG HA H 21 4.175 4.043 0.132 2 1 227 . 1 1 A 21 21 ARG CA C 21 57.374 58.873 -1.499 2 1 228 . 1 1 A 21 21 ARG CB C 21 30.682 29.914 0.768 2 1 231 . 1 1 A 21 21 ARG N N 21 119.056 122.091 -3.035 2 1 232 . 1 1 A 22 22 ALA H H 22 7.987 7.736 0.252 2 1 233 . 1 1 A 22 22 ALA HA H 22 4.220 4.132 0.088 2 1 237 . 1 1 A 22 22 ALA CA C 22 53.388 54.248 -0.860 2 1 238 . 1 1 A 22 22 ALA CB C 22 19.076 18.434 0.642 2 1 239 . 1 1 A 22 22 ALA N N 22 121.794 121.087 0.707 2 1 240 . 1 1 A 23 23 ILE H H 23 7.655 7.683 -0.028 2 1 241 . 1 1 A 23 23 ILE HA H 23 4.105 4.126 -0.021 2 1 251 . 1 1 A 23 23 ILE CA C 23 61.413 61.817 -0.404 2 1 252 . 1 1 A 23 23 ILE CB C 23 38.576 37.960 0.616 2 1 256 . 1 1 A 23 23 ILE N N 23 115.088 115.811 -0.723 2 1 257 . 1 1 A 24 24 ARG H H 24 7.829 7.802 0.027 2 1 258 . 1 1 A 24 24 ARG HA H 24 4.344 3.936 0.408 2 1 266 . 1 1 A 24 24 ARG CA C 24 55.897 57.455 -1.558 2 1 267 . 1 1 A 24 24 ARG CB C 24 30.663 27.904 2.759 2 1 270 . 1 1 A 24 24 ARG N N 24 121.629 119.341 2.288 2 stop_ save_