data_16168_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16168
_Entry.PDB_ID 2JO1
_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 8 . 1 1 1 A 2 2 SER H H 2 8.707 8.531 0.176 1
1 9 . 1 1 1 A 2 2 SER HA H 2 4.638 5.240 -0.602 1
1 12 . 1 1 1 A 2 2 SER CA C 2 56.699 55.587 1.112 1
1 13 . 1 1 1 A 2 2 SER CB C 2 63.978 63.742 0.236 1
1 14 . 1 1 1 A 2 2 SER N N 2 118.975 117.116 1.859 1
1 15 . 1 1 1 A 3 3 PRO HA H 3 4.533 4.460 0.073 1
1 22 . 1 1 1 A 3 3 PRO CA C 3 64.301 64.313 -0.012 1
1 23 . 1 1 1 A 3 3 PRO CB C 3 32.998 31.906 1.092 1
1 24 . 1 1 1 A 4 4 LYS H H 4 8.117 8.353 -0.236 1
1 25 . 1 1 1 A 4 4 LYS HA H 4 4.314 4.085 0.229 1
1 32 . 1 1 1 A 4 4 LYS CA C 4 56.918 59.206 -2.288 1
1 33 . 1 1 1 A 4 4 LYS CB C 4 33.010 32.277 0.733 1
1 34 . 1 1 1 A 4 4 LYS N N 4 118.277 117.654 0.623 1
1 35 . 1 1 1 A 5 5 GLU HA H 5 4.302 4.182 0.120 1
1 40 . 1 1 1 A 5 5 GLU CA C 5 56.505 59.387 -2.882 1
1 41 . 1 1 1 A 5 5 GLU CB C 5 38.736 29.250 9.486 1
1 42 . 1 1 1 A 6 6 HIS H H 6 8.075 8.280 -0.205 1
1 43 . 1 1 1 A 6 6 HIS HA H 6 4.352 4.343 0.009 1
1 47 . 1 1 1 A 6 6 HIS CA C 6 55.000 59.920 -4.920 1
1 48 . 1 1 1 A 6 6 HIS CB C 6 29.504 29.627 -0.123 1
1 49 . 1 1 1 A 6 6 HIS N N 6 117.435 119.536 -2.101 1
1 50 . 1 1 1 A 7 7 ASP H H 7 8.249 7.586 0.663 1
1 51 . 1 1 1 A 7 7 ASP HA H 7 4.796 4.693 0.103 1
1 54 . 1 1 1 A 7 7 ASP CA C 7 51.877 52.876 -0.999 1
1 55 . 1 1 1 A 7 7 ASP CB C 7 39.384 40.012 -0.628 1
1 56 . 1 1 1 A 7 7 ASP N N 7 120.163 117.372 2.791 1
1 57 . 1 1 1 A 8 8 PRO HA H 8 4.458 4.643 -0.185 1
1 64 . 1 1 1 A 8 8 PRO CA C 8 63.863 64.586 -0.723 1
1 65 . 1 1 1 A 8 8 PRO CB C 8 32.512 31.859 0.653 1
1 66 . 1 1 1 A 9 9 PHE H H 9 7.959 7.974 -0.015 1
1 67 . 1 1 1 A 9 9 PHE HA H 9 4.783 4.055 0.728 1
1 72 . 1 1 1 A 9 9 PHE CA C 9 58.261 61.855 -3.594 1
1 73 . 1 1 1 A 9 9 PHE CB C 9 39.190 39.560 -0.370 1
1 74 . 1 1 1 A 9 9 PHE N N 9 118.640 119.370 -0.730 1
1 75 . 1 1 1 A 10 10 THR H H 10 7.897 8.266 -0.369 1
1 76 . 1 1 1 A 10 10 THR HA H 10 4.440 4.071 0.369 1
1 81 . 1 1 1 A 10 10 THR CA C 10 62.056 65.573 -3.517 1
1 82 . 1 1 1 A 10 10 THR CB C 10 70.112 68.939 1.173 1
1 83 . 1 1 1 A 10 10 THR N N 10 112.714 112.516 0.198 1
1 84 . 1 1 1 A 11 11 TYR H H 11 7.615 8.099 -0.484 1
1 85 . 1 1 1 A 11 11 TYR HA H 11 4.471 4.869 -0.398 1
1 90 . 1 1 1 A 11 11 TYR CA C 11 58.365 57.224 1.141 1
1 91 . 1 1 1 A 11 11 TYR CB C 11 70.116 40.425 29.691 1
1 92 . 1 1 1 A 11 11 TYR N N 11 122.022 118.130 3.892 1
1 93 . 1 1 1 A 12 12 ASP H H 12 7.954 8.730 -0.776 1
1 94 . 1 1 1 A 12 12 ASP HA H 12 4.800 4.352 0.448 1
1 97 . 1 1 1 A 12 12 ASP CA C 12 53.013 54.599 -1.586 1
1 98 . 1 1 1 A 12 12 ASP CB C 12 39.384 39.512 -0.128 1
1 99 . 1 1 1 A 12 12 ASP N N 12 121.560 122.420 -0.860 1
1 100 . 1 1 1 A 13 13 TYR H H 13 7.949 7.545 0.404 1
1 101 . 1 1 1 A 13 13 TYR HA H 13 4.435 4.665 -0.230 1
1 106 . 1 1 1 A 13 13 TYR CA C 13 59.555 58.144 1.411 1
1 107 . 1 1 1 A 13 13 TYR CB C 13 39.589 37.698 1.891 1
1 108 . 1 1 1 A 13 13 TYR N N 13 121.914 118.910 3.004 1
1 109 . 1 1 1 A 14 14 GLN H H 14 8.173 8.009 0.164 1
1 110 . 1 1 1 A 14 14 GLN HA H 14 4.222 4.020 0.202 1
1 115 . 1 1 1 A 14 14 GLN CA C 14 57.621 59.082 -1.461 1
1 116 . 1 1 1 A 14 14 GLN CB C 14 28.821 28.360 0.461 1
1 117 . 1 1 1 A 14 14 GLN N N 14 119.118 121.802 -2.684 1
1 118 . 1 1 1 A 15 15 SER H H 15 7.888 8.299 -0.411 1
1 119 . 1 1 1 A 15 15 SER HA H 15 4.485 4.345 0.140 1
1 122 . 1 1 1 A 15 15 SER CA C 15 59.326 61.360 -2.034 1
1 123 . 1 1 1 A 15 15 SER CB C 15 64.123 62.982 1.141 1
1 124 . 1 1 1 A 15 15 SER N N 15 114.275 114.983 -0.708 1
1 125 . 1 1 1 A 16 16 LEU H H 16 7.791 8.282 -0.491 1
1 126 . 1 1 1 A 16 16 LEU HA H 16 4.430 4.180 0.250 1
1 136 . 1 1 1 A 16 16 LEU CA C 16 55.849 56.856 -1.007 1
1 137 . 1 1 1 A 16 16 LEU CB C 16 43.036 42.341 0.695 1
1 138 . 1 1 1 A 16 16 LEU N N 16 122.606 123.992 -1.386 1
1 139 . 1 1 1 A 17 17 GLN H H 17 8.281 7.829 0.452 1
1 140 . 1 1 1 A 17 17 GLN HA H 17 4.426 4.042 0.384 1
1 145 . 1 1 1 A 17 17 GLN CA C 17 56.500 58.248 -1.748 1
1 146 . 1 1 1 A 17 17 GLN CB C 17 29.338 28.866 0.472 1
1 147 . 1 1 1 A 17 17 GLN N N 17 120.232 117.856 2.376 1
1 148 . 1 1 1 A 18 18 ILE H H 18 7.807 7.724 0.083 1
1 149 . 1 1 1 A 18 18 ILE HA H 18 4.238 4.093 0.145 1
1 159 . 1 1 1 A 18 18 ILE CA C 18 61.932 64.031 -2.099 1
1 160 . 1 1 1 A 18 18 ILE CB C 18 38.997 37.900 1.097 1
1 161 . 1 1 1 A 18 18 ILE N N 18 118.727 119.089 -0.362 1
1 162 . 1 1 1 A 19 19 GLY H H 19 8.106 8.088 0.018 1
1 163 . 1 1 1 A 19 19 GLY HA2 H 19 4.054 3.737 0.317 1
1 164 . 1 1 1 A 19 19 GLY HA3 H 19 4.054 3.738 0.316 1
1 165 . 1 1 1 A 19 19 GLY CA C 19 46.338 47.371 -1.033 1
1 166 . 1 1 1 A 19 19 GLY N N 19 109.552 109.241 0.311 1
1 167 . 1 1 1 A 20 20 GLY H H 20 8.305 8.604 -0.299 1
1 168 . 1 1 1 A 20 20 GLY HA2 H 20 3.877 3.753 0.124 1
1 169 . 1 1 1 A 20 20 GLY HA3 H 20 3.877 3.766 0.111 1
1 170 . 1 1 1 A 20 20 GLY CA C 20 47.746 46.993 0.753 1
1 171 . 1 1 1 A 20 20 GLY N N 20 107.332 108.198 -0.866 1
1 172 . 1 1 1 A 21 21 LEU H H 21 8.046 7.961 0.085 1
1 173 . 1 1 1 A 21 21 LEU HA H 21 4.172 4.001 0.171 1
1 183 . 1 1 1 A 21 21 LEU CA C 21 58.140 57.599 0.541 1
1 184 . 1 1 1 A 21 21 LEU CB C 21 41.812 41.762 0.050 1
1 185 . 1 1 1 A 21 21 LEU N N 21 119.906 122.806 -2.900 1
1 186 . 1 1 1 A 22 22 VAL H H 22 7.716 8.368 -0.652 1
1 187 . 1 1 1 A 22 22 VAL HA H 22 3.691 3.471 0.220 1
1 195 . 1 1 1 A 22 22 VAL CA C 22 66.872 66.865 0.007 1
1 196 . 1 1 1 A 22 22 VAL CB C 22 67.290 31.703 35.587 1
1 197 . 1 1 1 A 22 22 VAL N N 22 117.489 118.094 -0.605 1
1 198 . 1 1 1 A 23 23 ILE H H 23 7.707 7.881 -0.174 1
1 199 . 1 1 1 A 23 23 ILE HA H 23 3.679 3.855 -0.176 1
1 208 . 1 1 1 A 23 23 ILE CA C 23 65.219 64.252 0.967 1
1 209 . 1 1 1 A 23 23 ILE CB C 23 39.538 37.688 1.850 1
1 210 . 1 1 1 A 23 23 ILE N N 23 117.900 116.980 0.920 1
1 211 . 1 1 1 A 24 24 ALA H H 24 8.248 8.479 -0.231 1
1 215 . 1 1 1 A 24 24 ALA CA C 24 55.723 55.240 0.483 1
1 216 . 1 1 1 A 24 24 ALA CB C 24 18.223 18.384 -0.161 1
1 217 . 1 1 1 A 24 24 ALA N N 24 120.166 124.567 -4.401 1
1 218 . 1 1 1 A 25 25 GLY H H 25 8.482 8.126 0.356 1
1 219 . 1 1 1 A 25 25 GLY HA2 H 25 3.781 3.805 -0.024 1
1 220 . 1 1 1 A 25 25 GLY HA3 H 25 3.692 3.815 -0.123 1
1 221 . 1 1 1 A 25 25 GLY CA C 25 47.860 47.355 0.505 1
1 222 . 1 1 1 A 25 25 GLY N N 25 103.943 106.614 -2.671 1
1 223 . 1 1 1 A 26 26 ILE H H 26 8.401 7.976 0.425 1
1 224 . 1 1 1 A 26 26 ILE HA H 26 3.715 4.046 -0.331 1
1 229 . 1 1 1 A 26 26 ILE CA C 26 65.719 63.073 2.646 1
1 230 . 1 1 1 A 26 26 ILE CB C 26 38.043 37.320 0.723 1
1 231 . 1 1 1 A 26 26 ILE N N 26 120.944 122.630 -1.686 1
1 232 . 1 1 1 A 27 27 LEU H H 27 8.303 8.052 0.251 1
1 233 . 1 1 1 A 27 27 LEU HA H 27 4.011 4.020 -0.009 1
1 243 . 1 1 1 A 27 27 LEU CA C 27 58.586 58.201 0.385 1
1 244 . 1 1 1 A 27 27 LEU CB C 27 41.728 41.810 -0.082 1
1 245 . 1 1 1 A 27 27 LEU N N 27 118.806 122.733 -3.927 1
1 246 . 1 1 1 A 28 28 PHE H H 28 8.568 7.947 0.621 1
1 247 . 1 1 1 A 28 28 PHE HA H 28 4.238 4.256 -0.018 1
1 252 . 1 1 1 A 28 28 PHE CA C 28 61.596 61.401 0.195 1
1 253 . 1 1 1 A 28 28 PHE CB C 28 39.690 38.614 1.076 1
1 254 . 1 1 1 A 28 28 PHE N N 28 118.499 117.308 1.191 1
1 255 . 1 1 1 A 29 29 ILE H H 29 8.247 8.438 -0.191 1
1 256 . 1 1 1 A 29 29 ILE HA H 29 3.607 3.696 -0.089 1
1 263 . 1 1 1 A 29 29 ILE CA C 29 65.048 65.036 0.012 1
1 264 . 1 1 1 A 29 29 ILE CB C 29 37.293 37.716 -0.423 1
1 265 . 1 1 1 A 29 29 ILE N N 29 117.892 120.392 -2.500 1
1 266 . 1 1 1 A 30 30 LEU H H 30 8.624 8.473 0.151 1
1 267 . 1 1 1 A 30 30 LEU HA H 30 4.012 3.973 0.039 1
1 277 . 1 1 1 A 30 30 LEU CA C 30 58.624 57.711 0.913 1
1 278 . 1 1 1 A 30 30 LEU CB C 30 42.011 41.675 0.336 1
1 279 . 1 1 1 A 30 30 LEU N N 30 119.146 121.428 -2.282 1
1 280 . 1 1 1 A 31 31 GLY H H 31 8.754 8.409 0.345 1
1 281 . 1 1 1 A 31 31 GLY HA2 H 31 3.643 3.679 -0.036 1
1 282 . 1 1 1 A 31 31 GLY HA3 H 31 3.643 3.721 -0.078 1
1 283 . 1 1 1 A 31 31 GLY CA C 31 48.068 47.373 0.695 1
1 284 . 1 1 1 A 31 31 GLY N N 31 106.000 106.754 -0.754 1
1 285 . 1 1 1 A 32 32 ILE H H 32 8.303 8.755 -0.452 1
1 286 . 1 1 1 A 32 32 ILE HA H 32 3.622 3.805 -0.183 1
1 296 . 1 1 1 A 32 32 ILE CA C 32 65.126 64.666 0.460 1
1 297 . 1 1 1 A 32 32 ILE CB C 32 39.126 37.720 1.406 1
1 298 . 1 1 1 A 32 32 ILE N N 32 120.840 122.443 -1.603 1
1 299 . 1 1 1 A 33 33 LEU H H 33 8.388 8.070 0.318 1
1 300 . 1 1 1 A 33 33 LEU HA H 33 4.042 4.066 -0.024 1
1 310 . 1 1 1 A 33 33 LEU CA C 33 58.672 58.068 0.604 1
1 311 . 1 1 1 A 33 33 LEU CB C 33 40.359 41.612 -1.253 1
1 312 . 1 1 1 A 33 33 LEU N N 33 119.523 119.380 0.143 1
1 313 . 1 1 1 A 34 34 ILE H H 34 8.703 8.647 0.056 1
1 314 . 1 1 1 A 34 34 ILE HA H 34 3.685 3.529 0.156 1
1 319 . 1 1 1 A 34 34 ILE CA C 34 66.120 65.397 0.723 1
1 320 . 1 1 1 A 34 34 ILE CB C 34 37.627 37.688 -0.061 1
1 321 . 1 1 1 A 34 34 ILE N N 34 120.906 119.810 1.096 1
1 322 . 1 1 1 A 35 35 VAL H H 35 8.359 8.376 -0.017 1
1 323 . 1 1 1 A 35 35 VAL HA H 35 3.690 3.584 0.106 1
1 331 . 1 1 1 A 35 35 VAL CA C 35 67.546 66.750 0.796 1
1 332 . 1 1 1 A 35 35 VAL CB C 35 31.619 31.793 -0.174 1
1 333 . 1 1 1 A 35 35 VAL N N 35 120.794 119.203 1.591 1
1 334 . 1 1 1 A 36 36 LEU H H 36 9.002 8.197 0.805 1
1 335 . 1 1 1 A 36 36 LEU HA H 36 4.095 4.051 0.044 1
1 345 . 1 1 1 A 36 36 LEU CA C 36 58.589 57.696 0.893 1
1 346 . 1 1 1 A 36 36 LEU CB C 36 42.017 40.759 1.258 1
1 347 . 1 1 1 A 36 36 LEU N N 36 119.433 117.938 1.495 1
1 348 . 1 1 1 A 37 37 SER H H 37 8.585 8.167 0.418 1
1 349 . 1 1 1 A 37 37 SER HA H 37 4.632 4.097 0.535 1
1 352 . 1 1 1 A 37 37 SER CA C 37 62.896 62.041 0.855 1
1 353 . 1 1 1 A 37 37 SER CB C 37 63.973 62.742 1.231 1
1 354 . 1 1 1 A 37 37 SER N N 37 115.400 114.574 0.826 1
1 355 . 1 1 1 A 38 38 ARG H H 38 8.180 7.756 0.424 1
1 356 . 1 1 1 A 38 38 ARG HA H 38 4.218 4.107 0.111 1
1 363 . 1 1 1 A 38 38 ARG CA C 38 59.259 59.276 -0.017 1
1 364 . 1 1 1 A 38 38 ARG CB C 38 30.751 30.021 0.730 1
1 365 . 1 1 1 A 38 38 ARG N N 38 121.516 122.337 -0.821 1
1 366 . 1 1 1 A 39 39 ARG H H 39 8.362 7.714 0.648 1
1 367 . 1 1 1 A 39 39 ARG HA H 39 4.373 4.022 0.351 1
1 374 . 1 1 1 A 39 39 ARG CA C 39 58.095 59.265 -1.170 1
1 375 . 1 1 1 A 39 39 ARG CB C 39 30.581 29.831 0.750 1
1 376 . 1 1 1 A 39 39 ARG N N 39 117.803 118.738 -0.935 1
1 377 . 1 1 1 A 40 40 CYS H H 40 8.423 8.352 0.071 1
1 378 . 1 1 1 A 40 40 CYS HA H 40 4.447 4.197 0.250 1
1 381 . 1 1 1 A 40 40 CYS CA C 40 61.514 62.120 -0.606 1
1 382 . 1 1 1 A 40 40 CYS CB C 40 28.091 27.413 0.678 1
1 383 . 1 1 1 A 40 40 CYS N N 40 116.351 118.668 -2.317 1
1 384 . 1 1 1 A 41 41 ARG H H 41 8.095 8.074 0.021 1
1 385 . 1 1 1 A 41 41 ARG HA H 41 4.204 4.227 -0.023 1
1 392 . 1 1 1 A 41 41 ARG CA C 41 58.876 59.936 -1.060 1
1 393 . 1 1 1 A 41 41 ARG CB C 41 30.227 30.146 0.081 1
1 394 . 1 1 1 A 41 41 ARG N N 41 119.841 119.965 -0.124 1
1 395 . 1 1 1 A 42 42 CYS H H 42 8.061 7.972 0.089 1
1 396 . 1 1 1 A 42 42 CYS HA H 42 4.435 4.294 0.141 1
1 399 . 1 1 1 A 42 42 CYS CA C 42 60.508 63.611 -3.103 1
1 400 . 1 1 1 A 42 42 CYS CB C 42 27.409 26.907 0.502 1
1 401 . 1 1 1 A 42 42 CYS N N 42 116.220 118.935 -2.715 1
1 402 . 1 1 1 A 43 43 LYS H H 43 7.936 8.609 -0.673 1
1 403 . 1 1 1 A 43 43 LYS HA H 43 4.244 4.100 0.144 1
1 408 . 1 1 1 A 43 43 LYS CA C 43 57.480 58.474 -0.994 1
1 409 . 1 1 1 A 43 43 LYS CB C 43 32.888 32.299 0.589 1
1 410 . 1 1 1 A 43 43 LYS N N 43 120.337 120.505 -0.168 1
1 411 . 1 1 1 A 44 44 PHE H H 44 7.966 8.417 -0.451 1
1 412 . 1 1 1 A 44 44 PHE HA H 44 4.664 4.041 0.623 1
1 417 . 1 1 1 A 44 44 PHE CA C 44 58.606 61.496 -2.890 1
1 418 . 1 1 1 A 44 44 PHE CB C 44 39.452 39.082 0.370 1
1 419 . 1 1 1 A 44 44 PHE N N 44 118.202 121.358 -3.156 1
1 420 . 1 1 1 A 45 45 ASN H H 45 8.147 7.850 0.297 1
1 421 . 1 1 1 A 45 45 ASN HA H 45 4.771 4.124 0.647 1
1 426 . 1 1 1 A 45 45 ASN CA C 45 53.951 52.619 1.332 1
1 427 . 1 1 1 A 45 45 ASN CB C 45 39.301 39.075 0.226 1
1 428 . 1 1 1 A 45 45 ASN N N 45 118.296 115.501 2.795 1
1 430 . 1 1 1 A 46 46 GLN H H 46 8.209 8.533 -0.324 1
1 431 . 1 1 1 A 46 46 GLN HA H 46 4.344 3.984 0.360 1
1 436 . 1 1 1 A 46 46 GLN CA C 46 56.832 58.714 -1.882 1
1 437 . 1 1 1 A 46 46 GLN CB C 46 29.314 28.130 1.184 1
1 438 . 1 1 1 A 46 46 GLN N N 46 119.469 126.240 -6.771 1
1 439 . 1 1 1 A 47 47 GLN H H 47 8.221 7.990 0.231 1
1 440 . 1 1 1 A 47 47 GLN CA C 47 56.832 59.169 -2.337 1
1 441 . 1 1 1 A 47 47 GLN CB C 47 29.314 28.188 1.126 1
1 442 . 1 1 1 A 47 47 GLN N N 47 119.452 118.342 1.110 1
1 443 . 1 1 1 A 48 48 GLN H H 48 8.058 7.412 0.646 1
1 444 . 1 1 1 A 48 48 GLN HA H 48 4.394 4.139 0.255 1
1 449 . 1 1 1 A 48 48 GLN CA C 48 56.600 58.280 -1.680 1
1 450 . 1 1 1 A 48 48 GLN CB C 48 29.578 29.785 -0.207 1
1 451 . 1 1 1 A 48 48 GLN N N 48 119.642 117.999 1.643 1
1 452 . 1 1 1 A 49 49 ARG H H 49 8.255 7.572 0.683 1
1 453 . 1 1 1 A 49 49 ARG HA H 49 4.475 4.728 -0.253 1
1 460 . 1 1 1 A 49 49 ARG CA C 49 56.569 54.161 2.408 1
1 461 . 1 1 1 A 49 49 ARG CB C 49 30.919 33.604 -2.685 1
1 462 . 1 1 1 A 49 49 ARG N N 49 121.599 117.072 4.527 1
1 463 . 1 1 1 A 50 50 THR H H 50 8.113 9.074 -0.961 1
1 464 . 1 1 1 A 50 50 THR HA H 50 4.438 3.935 0.503 1
1 469 . 1 1 1 A 50 50 THR CA C 50 62.130 66.282 -4.152 1
1 470 . 1 1 1 A 50 50 THR CB C 50 70.380 68.587 1.793 1
1 471 . 1 1 1 A 50 50 THR N N 50 113.660 115.359 -1.699 1
1 472 . 1 1 1 A 51 51 GLY H H 51 8.296 7.746 0.550 1
1 473 . 1 1 1 A 51 51 GLY HA2 H 51 4.060 4.020 0.040 1
1 474 . 1 1 1 A 51 51 GLY HA3 H 51 4.060 4.022 0.038 1
1 475 . 1 1 1 A 51 51 GLY CA C 51 45.374 45.543 -0.169 1
1 476 . 1 1 1 A 51 51 GLY N N 51 110.876 109.066 1.810 1
1 477 . 1 1 1 A 52 52 GLU H H 52 8.153 8.476 -0.323 1
1 478 . 1 1 1 A 52 52 GLU HA H 52 4.729 4.678 0.051 1
1 483 . 1 1 1 A 52 52 GLU CA C 52 54.072 53.834 0.238 1
1 484 . 1 1 1 A 52 52 GLU CB C 52 29.347 30.297 -0.950 1
1 485 . 1 1 1 A 52 52 GLU N N 52 120.834 121.290 -0.456 1
1 486 . 1 1 1 A 53 53 PRO HA H 53 4.495 4.475 0.020 1
1 493 . 1 1 1 A 53 53 PRO CA C 53 63.749 63.208 0.541 1
1 494 . 1 1 1 A 53 53 PRO CB C 53 32.309 32.572 -0.263 1
1 495 . 1 1 1 A 54 54 ASP H H 54 8.402 8.587 -0.185 1
1 496 . 1 1 1 A 54 54 ASP HA H 54 4.677 4.992 -0.315 1
1 499 . 1 1 1 A 54 54 ASP CA C 54 54.210 52.878 1.332 1
1 500 . 1 1 1 A 54 54 ASP CB C 54 40.375 43.840 -3.465 1
1 501 . 1 1 1 A 54 54 ASP N N 54 119.287 118.135 1.152 1
1 502 . 1 1 1 A 55 55 GLU H H 55 8.249 9.455 -1.206 1
1 503 . 1 1 1 A 55 55 GLU HA H 55 4.650 4.074 0.576 1
1 508 . 1 1 1 A 55 55 GLU CA C 55 56.397 57.825 -1.428 1
1 509 . 1 1 1 A 55 55 GLU CB C 55 29.461 29.172 0.289 1
1 510 . 1 1 1 A 55 55 GLU N N 55 120.671 119.083 1.588 1
1 511 . 1 1 1 A 56 56 GLU H H 56 8.257 8.509 -0.252 1
1 512 . 1 1 1 A 56 56 GLU HA H 56 4.396 3.978 0.418 1
1 517 . 1 1 1 A 56 56 GLU CA C 56 56.414 57.745 -1.331 1
1 518 . 1 1 1 A 56 56 GLU CB C 56 29.461 27.397 2.064 1
1 519 . 1 1 1 A 56 56 GLU N N 56 119.852 115.055 4.797 1
1 520 . 1 1 1 A 57 57 GLU H H 57 8.311 8.257 0.054 1
1 521 . 1 1 1 A 57 57 GLU HA H 57 4.453 3.987 0.466 1
1 526 . 1 1 1 A 57 57 GLU CA C 57 56.350 58.746 -2.396 1
1 527 . 1 1 1 A 57 57 GLU CB C 57 29.959 29.866 0.093 1
1 528 . 1 1 1 A 57 57 GLU N N 57 121.046 119.287 1.759 1
1 529 . 1 1 1 A 58 58 GLY H H 58 8.407 7.760 0.647 1
1 530 . 1 1 1 A 58 58 GLY HA2 H 58 4.190 3.524 0.666 1
1 531 . 1 1 1 A 58 58 GLY HA3 H 58 4.190 3.629 0.561 1
1 532 . 1 1 1 A 58 58 GLY CA C 58 45.841 44.936 0.905 1
1 533 . 1 1 1 A 58 58 GLY N N 58 109.873 107.088 2.785 1
1 534 . 1 1 1 A 59 59 THR H H 59 8.141 7.923 0.218 1
1 535 . 1 1 1 A 59 59 THR HA H 59 4.348 4.087 0.261 1
1 540 . 1 1 1 A 59 59 THR CA C 59 63.622 62.690 0.932 1
1 541 . 1 1 1 A 59 59 THR CB C 59 70.393 68.334 2.059 1
1 542 . 1 1 1 A 59 59 THR N N 59 114.486 116.732 -2.246 1
1 543 . 1 1 1 A 60 60 PHE H H 60 8.651 8.302 0.349 1
1 544 . 1 1 1 A 60 60 PHE HA H 60 4.439 4.110 0.329 1
1 549 . 1 1 1 A 60 60 PHE CA C 60 61.359 61.347 0.012 1
1 550 . 1 1 1 A 60 60 PHE CB C 60 38.960 39.153 -0.193 1
1 551 . 1 1 1 A 60 60 PHE N N 60 123.173 122.238 0.935 1
1 552 . 1 1 1 A 61 61 ARG H H 61 8.247 8.247 0.000 1
1 553 . 1 1 1 A 61 61 ARG HA H 61 3.932 3.918 0.014 1
1 560 . 1 1 1 A 61 61 ARG CA C 61 59.472 59.816 -0.344 1
1 561 . 1 1 1 A 61 61 ARG CB C 61 30.162 30.151 0.011 1
1 562 . 1 1 1 A 61 61 ARG N N 61 118.197 118.401 -0.204 1
1 563 . 1 1 1 A 62 62 SER H H 62 8.098 7.994 0.104 1
1 564 . 1 1 1 A 62 62 SER HA H 62 4.313 4.108 0.205 1
1 567 . 1 1 1 A 62 62 SER CA C 62 61.112 61.895 -0.783 1
1 568 . 1 1 1 A 62 62 SER CB C 62 63.426 62.785 0.641 1
1 569 . 1 1 1 A 62 62 SER N N 62 113.309 116.820 -3.511 1
1 570 . 1 1 1 A 63 63 SER H H 63 8.050 8.075 -0.025 1
1 571 . 1 1 1 A 63 63 SER HA H 63 4.361 4.090 0.271 1
1 574 . 1 1 1 A 63 63 SER CA C 63 61.816 61.326 0.490 1
1 575 . 1 1 1 A 63 63 SER CB C 63 64.359 62.459 1.900 1
1 576 . 1 1 1 A 63 63 SER N N 63 118.744 115.714 3.030 1
1 577 . 1 1 1 A 64 64 ILE H H 64 7.813 7.823 -0.010 1
1 578 . 1 1 1 A 64 64 ILE HA H 64 3.936 3.571 0.365 1
1 588 . 1 1 1 A 64 64 ILE CA C 64 63.557 65.097 -1.540 1
1 589 . 1 1 1 A 64 64 ILE CB C 64 37.482 36.551 0.931 1
1 590 . 1 1 1 A 64 64 ILE N N 64 120.616 122.448 -1.832 1
1 591 . 1 1 1 A 65 65 ARG H H 65 7.863 8.070 -0.207 1
1 592 . 1 1 1 A 65 65 ARG HA H 65 4.207 3.873 0.334 1
1 600 . 1 1 1 A 65 65 ARG CA C 65 58.617 59.790 -1.173 1
1 601 . 1 1 1 A 65 65 ARG CB C 65 30.088 29.744 0.344 1
1 602 . 1 1 1 A 65 65 ARG N N 65 120.278 120.487 -0.209 1
1 603 . 1 1 1 A 66 66 ARG H H 66 7.934 7.933 0.001 1
1 604 . 1 1 1 A 66 66 ARG HA H 66 4.251 4.049 0.202 1
1 611 . 1 1 1 A 66 66 ARG CA C 66 58.512 59.025 -0.513 1
1 612 . 1 1 1 A 66 66 ARG CB C 66 30.618 29.835 0.783 1
1 613 . 1 1 1 A 66 66 ARG N N 66 119.070 119.407 -0.337 1
1 614 . 1 1 1 A 67 67 LEU H H 67 8.014 8.081 -0.067 1
1 615 . 1 1 1 A 67 67 LEU HA H 67 4.259 4.052 0.207 1
1 625 . 1 1 1 A 67 67 LEU CA C 67 57.012 57.395 -0.383 1
1 626 . 1 1 1 A 67 67 LEU CB C 67 42.398 41.424 0.974 1
1 627 . 1 1 1 A 67 67 LEU N N 67 119.999 122.116 -2.117 1
1 628 . 1 1 1 A 68 68 SER H H 68 8.091 8.456 -0.365 1
1 629 . 1 1 1 A 68 68 SER HA H 68 4.352 4.178 0.174 1
1 632 . 1 1 1 A 68 68 SER CA C 68 60.421 61.423 -1.002 1
1 633 . 1 1 1 A 68 68 SER CB C 68 63.997 62.256 1.741 1
1 634 . 1 1 1 A 68 68 SER N N 68 113.037 114.511 -1.474 1
1 635 . 1 1 1 A 69 69 THR H H 69 7.765 7.906 -0.141 1
1 640 . 1 1 1 A 69 69 THR CA C 69 63.075 62.696 0.379 1
1 641 . 1 1 1 A 69 69 THR CB C 69 69.994 70.786 -0.792 1
1 642 . 1 1 1 A 69 69 THR N N 69 113.132 112.280 0.852 1
1 643 . 1 1 1 A 70 70 ARG H H 70 7.915 8.516 -0.601 1
1 644 . 1 1 1 A 70 70 ARG HA H 70 4.402 4.010 0.392 1
1 651 . 1 1 1 A 70 70 ARG CA C 70 57.068 57.937 -0.869 1
1 652 . 1 1 1 A 70 70 ARG CB C 70 30.778 28.580 2.198 1
1 653 . 1 1 1 A 70 70 ARG N N 70 121.113 117.187 3.926 1
1 654 . 1 1 1 A 71 71 ARG H H 71 7.891 8.257 -0.366 1
1 655 . 1 1 1 A 71 71 ARG HA H 71 4.421 4.137 0.284 1
1 662 . 1 1 1 A 71 71 ARG CA C 71 56.407 56.447 -0.040 1
1 663 . 1 1 1 A 71 71 ARG CB C 71 31.156 31.022 0.134 1
1 664 . 1 1 1 A 71 71 ARG N N 71 118.899 124.653 -5.754 1
1 8 . 2 1 1 A 2 2 SER H H 2 8.707 7.564 1.143 1
1 9 . 2 1 1 A 2 2 SER HA H 2 4.638 5.061 -0.423 1
1 12 . 2 1 1 A 2 2 SER CA C 2 56.699 55.475 1.224 1
1 13 . 2 1 1 A 2 2 SER CB C 2 63.978 66.217 -2.239 1
1 14 . 2 1 1 A 2 2 SER N N 2 118.975 111.500 7.475 1
1 15 . 2 1 1 A 3 3 PRO HA H 3 4.533 4.379 0.154 1
1 22 . 2 1 1 A 3 3 PRO CA C 3 64.301 64.524 -0.223 1
1 23 . 2 1 1 A 3 3 PRO CB C 3 32.998 31.967 1.031 1
1 24 . 2 1 1 A 4 4 LYS H H 4 8.117 8.567 -0.450 1
1 25 . 2 1 1 A 4 4 LYS HA H 4 4.314 4.020 0.294 1
1 32 . 2 1 1 A 4 4 LYS CA C 4 56.918 57.668 -0.750 1
1 33 . 2 1 1 A 4 4 LYS CB C 4 33.010 32.541 0.469 1
1 34 . 2 1 1 A 4 4 LYS N N 4 118.277 116.833 1.444 1
1 35 . 2 1 1 A 5 5 GLU HA H 5 4.302 4.634 -0.332 1
1 40 . 2 1 1 A 5 5 GLU CA C 5 56.505 54.851 1.654 1
1 41 . 2 1 1 A 5 5 GLU CB C 5 38.736 31.461 7.275 1
1 42 . 2 1 1 A 6 6 HIS H H 6 8.075 8.947 -0.872 1
1 43 . 2 1 1 A 6 6 HIS HA H 6 4.352 5.399 -1.047 1
1 47 . 2 1 1 A 6 6 HIS CA C 6 55.000 54.619 0.381 1
1 48 . 2 1 1 A 6 6 HIS CB C 6 29.504 32.773 -3.269 1
1 49 . 2 1 1 A 6 6 HIS N N 6 117.435 119.898 -2.463 1
1 50 . 2 1 1 A 7 7 ASP H H 7 8.249 8.776 -0.527 1
1 51 . 2 1 1 A 7 7 ASP HA H 7 4.796 5.093 -0.297 1
1 54 . 2 1 1 A 7 7 ASP CA C 7 51.877 51.112 0.765 1
1 55 . 2 1 1 A 7 7 ASP CB C 7 39.384 41.752 -2.368 1
1 56 . 2 1 1 A 7 7 ASP N N 7 120.163 122.179 -2.016 1
1 57 . 2 1 1 A 8 8 PRO HA H 8 4.458 4.584 -0.126 1
1 64 . 2 1 1 A 8 8 PRO CA C 8 63.863 64.326 -0.463 1
1 65 . 2 1 1 A 8 8 PRO CB C 8 32.512 32.030 0.482 1
1 66 . 2 1 1 A 9 9 PHE H H 9 7.959 7.974 -0.015 1
1 67 . 2 1 1 A 9 9 PHE HA H 9 4.783 4.071 0.712 1
1 72 . 2 1 1 A 9 9 PHE CA C 9 58.261 61.743 -3.482 1
1 73 . 2 1 1 A 9 9 PHE CB C 9 39.190 39.634 -0.444 1
1 74 . 2 1 1 A 9 9 PHE N N 9 118.640 119.445 -0.805 1
1 75 . 2 1 1 A 10 10 THR H H 10 7.897 7.510 0.387 1
1 76 . 2 1 1 A 10 10 THR HA H 10 4.440 3.805 0.635 1
1 81 . 2 1 1 A 10 10 THR CA C 10 62.056 66.232 -4.176 1
1 82 . 2 1 1 A 10 10 THR CB C 10 70.112 68.439 1.673 1
1 83 . 2 1 1 A 10 10 THR N N 10 112.714 114.027 -1.313 1
1 84 . 2 1 1 A 11 11 TYR H H 11 7.615 7.806 -0.191 1
1 85 . 2 1 1 A 11 11 TYR HA H 11 4.471 5.032 -0.561 1
1 90 . 2 1 1 A 11 11 TYR CA C 11 58.365 56.140 2.225 1
1 91 . 2 1 1 A 11 11 TYR CB C 11 70.116 41.904 28.212 1
1 92 . 2 1 1 A 11 11 TYR N N 11 122.022 116.063 5.959 1
1 93 . 2 1 1 A 12 12 ASP H H 12 7.954 8.569 -0.615 1
1 94 . 2 1 1 A 12 12 ASP HA H 12 4.800 4.880 -0.080 1
1 97 . 2 1 1 A 12 12 ASP CA C 12 53.013 52.715 0.298 1
1 98 . 2 1 1 A 12 12 ASP CB C 12 39.384 40.728 -1.344 1
1 99 . 2 1 1 A 12 12 ASP N N 12 121.560 123.163 -1.603 1
1 100 . 2 1 1 A 13 13 TYR H H 13 7.949 8.578 -0.629 1
1 101 . 2 1 1 A 13 13 TYR HA H 13 4.435 4.672 -0.237 1
1 106 . 2 1 1 A 13 13 TYR CA C 13 59.555 57.938 1.617 1
1 107 . 2 1 1 A 13 13 TYR CB C 13 39.589 37.926 1.663 1
1 108 . 2 1 1 A 13 13 TYR N N 13 121.914 123.671 -1.757 1
1 109 . 2 1 1 A 14 14 GLN H H 14 8.173 8.018 0.155 1
1 110 . 2 1 1 A 14 14 GLN HA H 14 4.222 4.015 0.207 1
1 115 . 2 1 1 A 14 14 GLN CA C 14 57.621 59.159 -1.538 1
1 116 . 2 1 1 A 14 14 GLN CB C 14 28.821 28.281 0.540 1
1 117 . 2 1 1 A 14 14 GLN N N 14 119.118 121.810 -2.692 1
1 118 . 2 1 1 A 15 15 SER H H 15 7.888 8.366 -0.478 1
1 119 . 2 1 1 A 15 15 SER HA H 15 4.485 4.335 0.150 1
1 122 . 2 1 1 A 15 15 SER CA C 15 59.326 61.368 -2.042 1
1 123 . 2 1 1 A 15 15 SER CB C 15 64.123 62.993 1.130 1
1 124 . 2 1 1 A 15 15 SER N N 15 114.275 114.853 -0.578 1
1 125 . 2 1 1 A 16 16 LEU H H 16 7.791 8.316 -0.525 1
1 126 . 2 1 1 A 16 16 LEU HA H 16 4.430 4.173 0.257 1
1 136 . 2 1 1 A 16 16 LEU CA C 16 55.849 56.933 -1.084 1
1 137 . 2 1 1 A 16 16 LEU CB C 16 43.036 42.401 0.635 1
1 138 . 2 1 1 A 16 16 LEU N N 16 122.606 124.052 -1.446 1
1 139 . 2 1 1 A 17 17 GLN H H 17 8.281 7.984 0.297 1
1 140 . 2 1 1 A 17 17 GLN HA H 17 4.426 4.084 0.342 1
1 145 . 2 1 1 A 17 17 GLN CA C 17 56.500 58.470 -1.970 1
1 146 . 2 1 1 A 17 17 GLN CB C 17 29.338 28.852 0.486 1
1 147 . 2 1 1 A 17 17 GLN N N 17 120.232 117.903 2.329 1
1 148 . 2 1 1 A 18 18 ILE H H 18 7.807 7.947 -0.140 1
1 149 . 2 1 1 A 18 18 ILE HA H 18 4.238 4.158 0.080 1
1 159 . 2 1 1 A 18 18 ILE CA C 18 61.932 62.232 -0.300 1
1 160 . 2 1 1 A 18 18 ILE CB C 18 38.997 38.232 0.765 1
1 161 . 2 1 1 A 18 18 ILE N N 18 118.727 118.699 0.028 1
1 162 . 2 1 1 A 19 19 GLY H H 19 8.106 8.209 -0.103 1
1 163 . 2 1 1 A 19 19 GLY HA2 H 19 4.054 3.677 0.377 1
1 164 . 2 1 1 A 19 19 GLY HA3 H 19 4.054 3.677 0.377 1
1 165 . 2 1 1 A 19 19 GLY CA C 19 46.338 46.918 -0.580 1
1 166 . 2 1 1 A 19 19 GLY N N 19 109.552 110.152 -0.600 1
1 167 . 2 1 1 A 20 20 GLY H H 20 8.305 8.520 -0.215 1
1 168 . 2 1 1 A 20 20 GLY HA2 H 20 3.877 3.845 0.032 1
1 169 . 2 1 1 A 20 20 GLY HA3 H 20 3.877 3.853 0.024 1
1 170 . 2 1 1 A 20 20 GLY CA C 20 47.746 47.048 0.698 1
1 171 . 2 1 1 A 20 20 GLY N N 20 107.332 108.381 -1.049 1
1 172 . 2 1 1 A 21 21 LEU H H 21 8.046 7.992 0.054 1
1 173 . 2 1 1 A 21 21 LEU HA H 21 4.172 4.031 0.141 1
1 183 . 2 1 1 A 21 21 LEU CA C 21 58.140 57.828 0.312 1
1 184 . 2 1 1 A 21 21 LEU CB C 21 41.812 42.085 -0.273 1
1 185 . 2 1 1 A 21 21 LEU N N 21 119.906 123.029 -3.123 1
1 186 . 2 1 1 A 22 22 VAL H H 22 7.716 8.223 -0.507 1
1 187 . 2 1 1 A 22 22 VAL HA H 22 3.691 3.460 0.231 1
1 195 . 2 1 1 A 22 22 VAL CA C 22 66.872 66.975 -0.103 1
1 196 . 2 1 1 A 22 22 VAL CB C 22 67.290 31.732 35.558 1
1 197 . 2 1 1 A 22 22 VAL N N 22 117.489 117.384 0.105 1
1 198 . 2 1 1 A 23 23 ILE H H 23 7.707 8.259 -0.552 1
1 199 . 2 1 1 A 23 23 ILE HA H 23 3.679 3.592 0.087 1
1 208 . 2 1 1 A 23 23 ILE CA C 23 65.219 65.950 -0.731 1
1 209 . 2 1 1 A 23 23 ILE CB C 23 39.538 38.196 1.342 1
1 210 . 2 1 1 A 23 23 ILE N N 23 117.900 119.552 -1.652 1
1 211 . 2 1 1 A 24 24 ALA H H 24 8.248 8.709 -0.461 1
1 215 . 2 1 1 A 24 24 ALA CA C 24 55.723 55.461 0.262 1
1 216 . 2 1 1 A 24 24 ALA CB C 24 18.223 18.650 -0.427 1
1 217 . 2 1 1 A 24 24 ALA N N 24 120.166 121.650 -1.484 1
1 218 . 2 1 1 A 25 25 GLY H H 25 8.482 8.186 0.296 1
1 219 . 2 1 1 A 25 25 GLY HA2 H 25 3.781 3.839 -0.058 1
1 220 . 2 1 1 A 25 25 GLY HA3 H 25 3.692 3.880 -0.188 1
1 221 . 2 1 1 A 25 25 GLY CA C 25 47.860 47.444 0.416 1
1 222 . 2 1 1 A 25 25 GLY N N 25 103.943 105.473 -1.530 1
1 223 . 2 1 1 A 26 26 ILE H H 26 8.401 7.854 0.547 1
1 224 . 2 1 1 A 26 26 ILE HA H 26 3.715 3.830 -0.115 1
1 229 . 2 1 1 A 26 26 ILE CA C 26 65.719 64.694 1.025 1
1 230 . 2 1 1 A 26 26 ILE CB C 26 38.043 37.726 0.317 1
1 231 . 2 1 1 A 26 26 ILE N N 26 120.944 122.676 -1.732 1
1 232 . 2 1 1 A 27 27 LEU H H 27 8.303 7.927 0.376 1
1 233 . 2 1 1 A 27 27 LEU HA H 27 4.011 3.942 0.069 1
1 243 . 2 1 1 A 27 27 LEU CA C 27 58.586 58.388 0.198 1
1 244 . 2 1 1 A 27 27 LEU CB C 27 41.728 41.730 -0.002 1
1 245 . 2 1 1 A 27 27 LEU N N 27 118.806 121.016 -2.210 1
1 246 . 2 1 1 A 28 28 PHE H H 28 8.568 7.668 0.900 1
1 247 . 2 1 1 A 28 28 PHE HA H 28 4.238 4.237 0.001 1
1 252 . 2 1 1 A 28 28 PHE CA C 28 61.596 61.427 0.169 1
1 253 . 2 1 1 A 28 28 PHE CB C 28 39.690 38.608 1.082 1
1 254 . 2 1 1 A 28 28 PHE N N 28 118.499 117.185 1.314 1
1 255 . 2 1 1 A 29 29 ILE H H 29 8.247 8.605 -0.358 1
1 256 . 2 1 1 A 29 29 ILE HA H 29 3.607 3.675 -0.068 1
1 263 . 2 1 1 A 29 29 ILE CA C 29 65.048 65.586 -0.538 1
1 264 . 2 1 1 A 29 29 ILE CB C 29 37.293 37.863 -0.570 1
1 265 . 2 1 1 A 29 29 ILE N N 29 117.892 120.381 -2.489 1
1 266 . 2 1 1 A 30 30 LEU H H 30 8.624 8.674 -0.050 1
1 267 . 2 1 1 A 30 30 LEU HA H 30 4.012 4.037 -0.025 1
1 277 . 2 1 1 A 30 30 LEU CA C 30 58.624 57.917 0.707 1
1 278 . 2 1 1 A 30 30 LEU CB C 30 42.011 41.649 0.362 1
1 279 . 2 1 1 A 30 30 LEU N N 30 119.146 121.042 -1.896 1
1 280 . 2 1 1 A 31 31 GLY H H 31 8.754 8.360 0.394 1
1 281 . 2 1 1 A 31 31 GLY HA2 H 31 3.643 3.732 -0.089 1
1 282 . 2 1 1 A 31 31 GLY HA3 H 31 3.643 3.748 -0.105 1
1 283 . 2 1 1 A 31 31 GLY CA C 31 48.068 47.437 0.631 1
1 284 . 2 1 1 A 31 31 GLY N N 31 106.000 107.154 -1.154 1
1 285 . 2 1 1 A 32 32 ILE H H 32 8.303 8.510 -0.207 1
1 286 . 2 1 1 A 32 32 ILE HA H 32 3.622 3.835 -0.213 1
1 296 . 2 1 1 A 32 32 ILE CA C 32 65.126 64.612 0.514 1
1 297 . 2 1 1 A 32 32 ILE CB C 32 39.126 38.140 0.986 1
1 298 . 2 1 1 A 32 32 ILE N N 32 120.840 122.516 -1.676 1
1 299 . 2 1 1 A 33 33 LEU H H 33 8.388 8.092 0.296 1
1 300 . 2 1 1 A 33 33 LEU HA H 33 4.042 4.008 0.034 1
1 310 . 2 1 1 A 33 33 LEU CA C 33 58.672 58.066 0.606 1
1 311 . 2 1 1 A 33 33 LEU CB C 33 40.359 41.539 -1.180 1
1 312 . 2 1 1 A 33 33 LEU N N 33 119.523 119.426 0.097 1
1 313 . 2 1 1 A 34 34 ILE H H 34 8.703 8.729 -0.026 1
1 314 . 2 1 1 A 34 34 ILE HA H 34 3.685 3.573 0.112 1
1 319 . 2 1 1 A 34 34 ILE CA C 34 66.120 65.423 0.697 1
1 320 . 2 1 1 A 34 34 ILE CB C 34 37.627 37.785 -0.158 1
1 321 . 2 1 1 A 34 34 ILE N N 34 120.906 119.690 1.216 1
1 322 . 2 1 1 A 35 35 VAL H H 35 8.359 8.013 0.346 1
1 323 . 2 1 1 A 35 35 VAL HA H 35 3.690 3.633 0.057 1
1 331 . 2 1 1 A 35 35 VAL CA C 35 67.546 66.779 0.767 1
1 332 . 2 1 1 A 35 35 VAL CB C 35 31.619 31.828 -0.209 1
1 333 . 2 1 1 A 35 35 VAL N N 35 120.794 119.228 1.566 1
1 334 . 2 1 1 A 36 36 LEU H H 36 9.002 8.137 0.865 1
1 335 . 2 1 1 A 36 36 LEU HA H 36 4.095 4.040 0.055 1
1 345 . 2 1 1 A 36 36 LEU CA C 36 58.589 57.696 0.893 1
1 346 . 2 1 1 A 36 36 LEU CB C 36 42.017 40.749 1.268 1
1 347 . 2 1 1 A 36 36 LEU N N 36 119.433 118.040 1.393 1
1 348 . 2 1 1 A 37 37 SER H H 37 8.585 8.067 0.518 1
1 349 . 2 1 1 A 37 37 SER HA H 37 4.632 4.104 0.528 1
1 352 . 2 1 1 A 37 37 SER CA C 37 62.896 62.091 0.805 1
1 353 . 2 1 1 A 37 37 SER CB C 37 63.973 62.748 1.225 1
1 354 . 2 1 1 A 37 37 SER N N 37 115.400 114.600 0.800 1
1 355 . 2 1 1 A 38 38 ARG H H 38 8.180 7.746 0.434 1
1 356 . 2 1 1 A 38 38 ARG HA H 38 4.218 4.122 0.096 1
1 363 . 2 1 1 A 38 38 ARG CA C 38 59.259 59.237 0.022 1
1 364 . 2 1 1 A 38 38 ARG CB C 38 30.751 29.975 0.776 1
1 365 . 2 1 1 A 38 38 ARG N N 38 121.516 122.273 -0.757 1
1 366 . 2 1 1 A 39 39 ARG H H 39 8.362 7.573 0.789 1
1 367 . 2 1 1 A 39 39 ARG HA H 39 4.373 4.073 0.300 1
1 374 . 2 1 1 A 39 39 ARG CA C 39 58.095 59.037 -0.942 1
1 375 . 2 1 1 A 39 39 ARG CB C 39 30.581 30.075 0.506 1
1 376 . 2 1 1 A 39 39 ARG N N 39 117.803 119.291 -1.488 1
1 377 . 2 1 1 A 40 40 CYS H H 40 8.423 8.505 -0.082 1
1 378 . 2 1 1 A 40 40 CYS HA H 40 4.447 4.243 0.204 1
1 381 . 2 1 1 A 40 40 CYS CA C 40 61.514 62.230 -0.716 1
1 382 . 2 1 1 A 40 40 CYS CB C 40 28.091 27.426 0.665 1
1 383 . 2 1 1 A 40 40 CYS N N 40 116.351 118.568 -2.217 1
1 384 . 2 1 1 A 41 41 ARG H H 41 8.095 8.039 0.056 1
1 385 . 2 1 1 A 41 41 ARG HA H 41 4.204 4.117 0.087 1
1 392 . 2 1 1 A 41 41 ARG CA C 41 58.876 59.596 -0.720 1
1 393 . 2 1 1 A 41 41 ARG CB C 41 30.227 29.936 0.291 1
1 394 . 2 1 1 A 41 41 ARG N N 41 119.841 121.224 -1.383 1
1 395 . 2 1 1 A 42 42 CYS H H 42 8.061 7.857 0.204 1
1 396 . 2 1 1 A 42 42 CYS HA H 42 4.435 4.206 0.229 1
1 399 . 2 1 1 A 42 42 CYS CA C 42 60.508 63.591 -3.083 1
1 400 . 2 1 1 A 42 42 CYS CB C 42 27.409 27.890 -0.481 1
1 401 . 2 1 1 A 42 42 CYS N N 42 116.220 118.076 -1.856 1
1 402 . 2 1 1 A 43 43 LYS H H 43 7.936 8.455 -0.519 1
1 403 . 2 1 1 A 43 43 LYS HA H 43 4.244 4.094 0.150 1
1 408 . 2 1 1 A 43 43 LYS CA C 43 57.480 59.015 -1.535 1
1 409 . 2 1 1 A 43 43 LYS CB C 43 32.888 31.989 0.899 1
1 410 . 2 1 1 A 43 43 LYS N N 43 120.337 121.804 -1.467 1
1 411 . 2 1 1 A 44 44 PHE H H 44 7.966 8.503 -0.537 1
1 412 . 2 1 1 A 44 44 PHE HA H 44 4.664 4.061 0.603 1
1 417 . 2 1 1 A 44 44 PHE CA C 44 58.606 61.612 -3.006 1
1 418 . 2 1 1 A 44 44 PHE CB C 44 39.452 39.126 0.326 1
1 419 . 2 1 1 A 44 44 PHE N N 44 118.202 120.842 -2.640 1
1 420 . 2 1 1 A 45 45 ASN H H 45 8.147 7.558 0.589 1
1 421 . 2 1 1 A 45 45 ASN HA H 45 4.771 4.318 0.453 1
1 426 . 2 1 1 A 45 45 ASN CA C 45 53.951 52.483 1.468 1
1 427 . 2 1 1 A 45 45 ASN CB C 45 39.301 39.031 0.270 1
1 428 . 2 1 1 A 45 45 ASN N N 45 118.296 116.688 1.608 1
1 430 . 2 1 1 A 46 46 GLN H H 46 8.209 8.432 -0.223 1
1 431 . 2 1 1 A 46 46 GLN HA H 46 4.344 4.168 0.176 1
1 436 . 2 1 1 A 46 46 GLN CA C 46 56.832 59.089 -2.257 1
1 437 . 2 1 1 A 46 46 GLN CB C 46 29.314 28.320 0.994 1
1 438 . 2 1 1 A 46 46 GLN N N 46 119.469 125.661 -6.192 1
1 439 . 2 1 1 A 47 47 GLN H H 47 8.221 7.993 0.228 1
1 440 . 2 1 1 A 47 47 GLN CA C 47 56.832 59.040 -2.208 1
1 441 . 2 1 1 A 47 47 GLN CB C 47 29.314 28.408 0.906 1
1 442 . 2 1 1 A 47 47 GLN N N 47 119.452 120.121 -0.669 1
1 443 . 2 1 1 A 48 48 GLN H H 48 8.058 7.630 0.428 1
1 444 . 2 1 1 A 48 48 GLN HA H 48 4.394 4.135 0.259 1
1 449 . 2 1 1 A 48 48 GLN CA C 48 56.600 58.326 -1.726 1
1 450 . 2 1 1 A 48 48 GLN CB C 48 29.578 29.711 -0.133 1
1 451 . 2 1 1 A 48 48 GLN N N 48 119.642 118.771 0.871 1
1 452 . 2 1 1 A 49 49 ARG H H 49 8.255 7.528 0.727 1
1 453 . 2 1 1 A 49 49 ARG HA H 49 4.475 4.754 -0.279 1
1 460 . 2 1 1 A 49 49 ARG CA C 49 56.569 54.591 1.978 1
1 461 . 2 1 1 A 49 49 ARG CB C 49 30.919 34.112 -3.193 1
1 462 . 2 1 1 A 49 49 ARG N N 49 121.599 117.021 4.578 1
1 463 . 2 1 1 A 50 50 THR H H 50 8.113 8.430 -0.317 1
1 464 . 2 1 1 A 50 50 THR HA H 50 4.438 4.851 -0.413 1
1 469 . 2 1 1 A 50 50 THR CA C 50 62.130 60.682 1.448 1
1 470 . 2 1 1 A 50 50 THR CB C 50 70.380 70.596 -0.216 1
1 471 . 2 1 1 A 50 50 THR N N 50 113.660 113.707 -0.047 1
1 472 . 2 1 1 A 51 51 GLY H H 51 8.296 8.411 -0.115 1
1 473 . 2 1 1 A 51 51 GLY HA2 H 51 4.060 4.216 -0.156 1
1 474 . 2 1 1 A 51 51 GLY HA3 H 51 4.060 4.217 -0.157 1
1 475 . 2 1 1 A 51 51 GLY CA C 51 45.374 45.234 0.140 1
1 476 . 2 1 1 A 51 51 GLY N N 51 110.876 108.167 2.709 1
1 477 . 2 1 1 A 52 52 GLU H H 52 8.153 8.482 -0.329 1
1 478 . 2 1 1 A 52 52 GLU HA H 52 4.729 4.912 -0.183 1
1 483 . 2 1 1 A 52 52 GLU CA C 52 54.072 53.035 1.037 1
1 484 . 2 1 1 A 52 52 GLU CB C 52 29.347 30.606 -1.259 1
1 485 . 2 1 1 A 52 52 GLU N N 52 120.834 122.042 -1.208 1
1 486 . 2 1 1 A 53 53 PRO HA H 53 4.495 4.523 -0.028 1
1 493 . 2 1 1 A 53 53 PRO CA C 53 63.749 62.999 0.750 1
1 494 . 2 1 1 A 53 53 PRO CB C 53 32.309 31.902 0.407 1
1 495 . 2 1 1 A 54 54 ASP H H 54 8.402 8.674 -0.272 1
1 496 . 2 1 1 A 54 54 ASP HA H 54 4.677 4.634 0.043 1
1 499 . 2 1 1 A 54 54 ASP CA C 54 54.210 54.233 -0.023 1
1 500 . 2 1 1 A 54 54 ASP CB C 54 40.375 41.392 -1.017 1
1 501 . 2 1 1 A 54 54 ASP N N 54 119.287 122.125 -2.838 1
1 502 . 2 1 1 A 55 55 GLU H H 55 8.249 8.912 -0.663 1
1 503 . 2 1 1 A 55 55 GLU HA H 55 4.650 4.023 0.627 1
1 508 . 2 1 1 A 55 55 GLU CA C 55 56.397 57.140 -0.743 1
1 509 . 2 1 1 A 55 55 GLU CB C 55 29.461 29.767 -0.306 1
1 510 . 2 1 1 A 55 55 GLU N N 55 120.671 123.589 -2.918 1
1 511 . 2 1 1 A 56 56 GLU H H 56 8.257 9.104 -0.847 1
1 512 . 2 1 1 A 56 56 GLU HA H 56 4.396 3.979 0.417 1
1 517 . 2 1 1 A 56 56 GLU CA C 56 56.414 57.743 -1.329 1
1 518 . 2 1 1 A 56 56 GLU CB C 56 29.461 28.776 0.685 1
1 519 . 2 1 1 A 56 56 GLU N N 56 119.852 122.919 -3.067 1
1 520 . 2 1 1 A 57 57 GLU H H 57 8.311 8.185 0.126 1
1 521 . 2 1 1 A 57 57 GLU HA H 57 4.453 4.379 0.074 1
1 526 . 2 1 1 A 57 57 GLU CA C 57 56.350 58.526 -2.176 1
1 527 . 2 1 1 A 57 57 GLU CB C 57 29.959 28.483 1.476 1
1 528 . 2 1 1 A 57 57 GLU N N 57 121.046 114.446 6.600 1
1 529 . 2 1 1 A 58 58 GLY H H 58 8.407 8.666 -0.259 1
1 530 . 2 1 1 A 58 58 GLY HA2 H 58 4.190 4.034 0.156 1
1 531 . 2 1 1 A 58 58 GLY HA3 H 58 4.190 4.063 0.127 1
1 532 . 2 1 1 A 58 58 GLY CA C 58 45.841 45.370 0.471 1
1 533 . 2 1 1 A 58 58 GLY N N 58 109.873 112.760 -2.887 1
1 534 . 2 1 1 A 59 59 THR H H 59 8.141 7.279 0.862 1
1 535 . 2 1 1 A 59 59 THR HA H 59 4.348 3.996 0.352 1
1 540 . 2 1 1 A 59 59 THR CA C 59 63.622 63.226 0.396 1
1 541 . 2 1 1 A 59 59 THR CB C 59 70.393 67.675 2.718 1
1 542 . 2 1 1 A 59 59 THR N N 59 114.486 116.019 -1.533 1
1 543 . 2 1 1 A 60 60 PHE H H 60 8.651 7.858 0.793 1
1 544 . 2 1 1 A 60 60 PHE HA H 60 4.439 4.016 0.423 1
1 549 . 2 1 1 A 60 60 PHE CA C 60 61.359 61.359 0.000 1
1 550 . 2 1 1 A 60 60 PHE CB C 60 38.960 39.162 -0.202 1
1 551 . 2 1 1 A 60 60 PHE N N 60 123.173 121.960 1.213 1
1 552 . 2 1 1 A 61 61 ARG H H 61 8.247 8.237 0.010 1
1 553 . 2 1 1 A 61 61 ARG HA H 61 3.932 3.871 0.061 1
1 560 . 2 1 1 A 61 61 ARG CA C 61 59.472 59.715 -0.243 1
1 561 . 2 1 1 A 61 61 ARG CB C 61 30.162 29.887 0.275 1
1 562 . 2 1 1 A 61 61 ARG N N 61 118.197 118.638 -0.441 1
1 563 . 2 1 1 A 62 62 SER H H 62 8.098 7.997 0.101 1
1 564 . 2 1 1 A 62 62 SER HA H 62 4.313 4.099 0.214 1
1 567 . 2 1 1 A 62 62 SER CA C 62 61.112 61.914 -0.802 1
1 568 . 2 1 1 A 62 62 SER CB C 62 63.426 62.796 0.630 1
1 569 . 2 1 1 A 62 62 SER N N 62 113.309 117.028 -3.719 1
1 570 . 2 1 1 A 63 63 SER H H 63 8.050 7.519 0.531 1
1 571 . 2 1 1 A 63 63 SER HA H 63 4.361 4.122 0.239 1
1 574 . 2 1 1 A 63 63 SER CA C 63 61.816 61.784 0.032 1
1 575 . 2 1 1 A 63 63 SER CB C 63 64.359 62.740 1.619 1
1 576 . 2 1 1 A 63 63 SER N N 63 118.744 118.125 0.619 1
1 577 . 2 1 1 A 64 64 ILE H H 64 7.813 7.997 -0.184 1
1 578 . 2 1 1 A 64 64 ILE HA H 64 3.936 3.729 0.207 1
1 588 . 2 1 1 A 64 64 ILE CA C 64 63.557 63.580 -0.023 1
1 589 . 2 1 1 A 64 64 ILE CB C 64 37.482 37.218 0.264 1
1 590 . 2 1 1 A 64 64 ILE N N 64 120.616 121.560 -0.944 1
1 591 . 2 1 1 A 65 65 ARG H H 65 7.863 7.870 -0.007 1
1 592 . 2 1 1 A 65 65 ARG HA H 65 4.207 3.855 0.352 1
1 600 . 2 1 1 A 65 65 ARG CA C 65 58.617 59.160 -0.543 1
1 601 . 2 1 1 A 65 65 ARG CB C 65 30.088 29.748 0.340 1
1 602 . 2 1 1 A 65 65 ARG N N 65 120.278 122.446 -2.168 1
1 603 . 2 1 1 A 66 66 ARG H H 66 7.934 7.955 -0.021 1
1 604 . 2 1 1 A 66 66 ARG HA H 66 4.251 4.052 0.199 1
1 611 . 2 1 1 A 66 66 ARG CA C 66 58.512 58.609 -0.097 1
1 612 . 2 1 1 A 66 66 ARG CB C 66 30.618 30.091 0.527 1
1 613 . 2 1 1 A 66 66 ARG N N 66 119.070 117.659 1.411 1
1 614 . 2 1 1 A 67 67 LEU H H 67 8.014 8.060 -0.046 1
1 615 . 2 1 1 A 67 67 LEU HA H 67 4.259 4.048 0.211 1
1 625 . 2 1 1 A 67 67 LEU CA C 67 57.012 57.395 -0.383 1
1 626 . 2 1 1 A 67 67 LEU CB C 67 42.398 41.325 1.073 1
1 627 . 2 1 1 A 67 67 LEU N N 67 119.999 123.302 -3.303 1
1 628 . 2 1 1 A 68 68 SER H H 68 8.091 8.540 -0.449 1
1 629 . 2 1 1 A 68 68 SER HA H 68 4.352 4.241 0.111 1
1 632 . 2 1 1 A 68 68 SER CA C 68 60.421 61.127 -0.706 1
1 633 . 2 1 1 A 68 68 SER CB C 68 63.997 62.908 1.089 1
1 634 . 2 1 1 A 68 68 SER N N 68 113.037 114.981 -1.944 1
1 635 . 2 1 1 A 69 69 THR H H 69 7.765 7.642 0.123 1
1 640 . 2 1 1 A 69 69 THR CA C 69 63.075 64.584 -1.509 1
1 641 . 2 1 1 A 69 69 THR CB C 69 69.994 69.947 0.047 1
1 642 . 2 1 1 A 69 69 THR N N 69 113.132 114.931 -1.799 1
1 643 . 2 1 1 A 70 70 ARG H H 70 7.915 8.933 -1.018 1
1 644 . 2 1 1 A 70 70 ARG HA H 70 4.402 3.918 0.484 1
1 651 . 2 1 1 A 70 70 ARG CA C 70 57.068 59.537 -2.469 1
1 652 . 2 1 1 A 70 70 ARG CB C 70 30.778 29.994 0.784 1
1 653 . 2 1 1 A 70 70 ARG N N 70 121.113 120.769 0.344 1
1 654 . 2 1 1 A 71 71 ARG H H 71 7.891 7.764 0.127 1
1 655 . 2 1 1 A 71 71 ARG HA H 71 4.421 4.036 0.385 1
1 662 . 2 1 1 A 71 71 ARG CA C 71 56.407 58.841 -2.434 1
1 663 . 2 1 1 A 71 71 ARG CB C 71 31.156 30.002 1.154 1
1 664 . 2 1 1 A 71 71 ARG N N 71 118.899 118.980 -0.081 1
1 8 . 3 1 1 A 2 2 SER H H 2 8.707 7.623 1.084 1
1 9 . 3 1 1 A 2 2 SER HA H 2 4.638 4.692 -0.054 1
1 12 . 3 1 1 A 2 2 SER CA C 2 56.699 56.302 0.397 1
1 13 . 3 1 1 A 2 2 SER CB C 2 63.978 63.984 -0.006 1
1 14 . 3 1 1 A 2 2 SER N N 2 118.975 117.597 1.378 1
1 15 . 3 1 1 A 3 3 PRO HA H 3 4.533 4.426 0.107 1
1 22 . 3 1 1 A 3 3 PRO CA C 3 64.301 64.128 0.173 1
1 23 . 3 1 1 A 3 3 PRO CB C 3 32.998 31.646 1.352 1
1 24 . 3 1 1 A 4 4 LYS H H 4 8.117 8.331 -0.214 1
1 25 . 3 1 1 A 4 4 LYS HA H 4 4.314 4.002 0.312 1
1 32 . 3 1 1 A 4 4 LYS CA C 4 56.918 57.851 -0.933 1
1 33 . 3 1 1 A 4 4 LYS CB C 4 33.010 32.324 0.686 1
1 34 . 3 1 1 A 4 4 LYS N N 4 118.277 116.980 1.297 1
1 35 . 3 1 1 A 5 5 GLU HA H 5 4.302 4.256 0.046 1
1 40 . 3 1 1 A 5 5 GLU CA C 5 56.505 56.007 0.498 1
1 41 . 3 1 1 A 5 5 GLU CB C 5 38.736 29.784 8.952 1
1 42 . 3 1 1 A 6 6 HIS H H 6 8.075 8.660 -0.585 1
1 43 . 3 1 1 A 6 6 HIS HA H 6 4.352 4.765 -0.413 1
1 47 . 3 1 1 A 6 6 HIS CA C 6 55.000 55.758 -0.758 1
1 48 . 3 1 1 A 6 6 HIS CB C 6 29.504 30.162 -0.658 1
1 49 . 3 1 1 A 6 6 HIS N N 6 117.435 121.396 -3.961 1
1 50 . 3 1 1 A 7 7 ASP H H 7 8.249 7.533 0.716 1
1 51 . 3 1 1 A 7 7 ASP HA H 7 4.796 4.818 -0.022 1
1 54 . 3 1 1 A 7 7 ASP CA C 7 51.877 52.617 -0.740 1
1 55 . 3 1 1 A 7 7 ASP CB C 7 39.384 40.411 -1.027 1
1 56 . 3 1 1 A 7 7 ASP N N 7 120.163 120.036 0.127 1
1 57 . 3 1 1 A 8 8 PRO HA H 8 4.458 4.562 -0.104 1
1 64 . 3 1 1 A 8 8 PRO CA C 8 63.863 64.558 -0.695 1
1 65 . 3 1 1 A 8 8 PRO CB C 8 32.512 31.898 0.614 1
1 66 . 3 1 1 A 9 9 PHE H H 9 7.959 7.902 0.057 1
1 67 . 3 1 1 A 9 9 PHE HA H 9 4.783 4.495 0.288 1
1 72 . 3 1 1 A 9 9 PHE CA C 9 58.261 61.113 -2.852 1
1 73 . 3 1 1 A 9 9 PHE CB C 9 39.190 38.742 0.448 1
1 74 . 3 1 1 A 9 9 PHE N N 9 118.640 117.078 1.562 1
1 75 . 3 1 1 A 10 10 THR H H 10 7.897 7.511 0.386 1
1 76 . 3 1 1 A 10 10 THR HA H 10 4.440 3.968 0.472 1
1 81 . 3 1 1 A 10 10 THR CA C 10 62.056 66.167 -4.111 1
1 82 . 3 1 1 A 10 10 THR CB C 10 70.112 68.511 1.601 1
1 83 . 3 1 1 A 10 10 THR N N 10 112.714 113.682 -0.968 1
1 84 . 3 1 1 A 11 11 TYR H H 11 7.615 8.484 -0.869 1
1 85 . 3 1 1 A 11 11 TYR HA H 11 4.471 4.937 -0.466 1
1 90 . 3 1 1 A 11 11 TYR CA C 11 58.365 57.076 1.289 1
1 91 . 3 1 1 A 11 11 TYR CB C 11 70.116 40.571 29.545 1
1 92 . 3 1 1 A 11 11 TYR N N 11 122.022 117.948 4.074 1
1 93 . 3 1 1 A 12 12 ASP H H 12 7.954 9.070 -1.116 1
1 94 . 3 1 1 A 12 12 ASP HA H 12 4.800 4.402 0.398 1
1 97 . 3 1 1 A 12 12 ASP CA C 12 53.013 56.629 -3.616 1
1 98 . 3 1 1 A 12 12 ASP CB C 12 39.384 40.044 -0.660 1
1 99 . 3 1 1 A 12 12 ASP N N 12 121.560 124.071 -2.511 1
1 100 . 3 1 1 A 13 13 TYR H H 13 7.949 7.597 0.352 1
1 101 . 3 1 1 A 13 13 TYR HA H 13 4.435 4.654 -0.219 1
1 106 . 3 1 1 A 13 13 TYR CA C 13 59.555 58.331 1.224 1
1 107 . 3 1 1 A 13 13 TYR CB C 13 39.589 37.638 1.951 1
1 108 . 3 1 1 A 13 13 TYR N N 13 121.914 117.633 4.281 1
1 109 . 3 1 1 A 14 14 GLN H H 14 8.173 8.275 -0.102 1
1 110 . 3 1 1 A 14 14 GLN HA H 14 4.222 3.930 0.292 1
1 115 . 3 1 1 A 14 14 GLN CA C 14 57.621 58.824 -1.203 1
1 116 . 3 1 1 A 14 14 GLN CB C 14 28.821 28.583 0.238 1
1 117 . 3 1 1 A 14 14 GLN N N 14 119.118 122.300 -3.182 1
1 118 . 3 1 1 A 15 15 SER H H 15 7.888 8.370 -0.482 1
1 119 . 3 1 1 A 15 15 SER HA H 15 4.485 4.318 0.167 1
1 122 . 3 1 1 A 15 15 SER CA C 15 59.326 61.268 -1.942 1
1 123 . 3 1 1 A 15 15 SER CB C 15 64.123 62.918 1.205 1
1 124 . 3 1 1 A 15 15 SER N N 15 114.275 115.871 -1.596 1
1 125 . 3 1 1 A 16 16 LEU H H 16 7.791 8.276 -0.485 1
1 126 . 3 1 1 A 16 16 LEU HA H 16 4.430 4.178 0.252 1
1 136 . 3 1 1 A 16 16 LEU CA C 16 55.849 56.548 -0.699 1
1 137 . 3 1 1 A 16 16 LEU CB C 16 43.036 42.389 0.647 1
1 138 . 3 1 1 A 16 16 LEU N N 16 122.606 123.921 -1.315 1
1 139 . 3 1 1 A 17 17 GLN H H 17 8.281 7.900 0.381 1
1 140 . 3 1 1 A 17 17 GLN HA H 17 4.426 4.018 0.408 1
1 145 . 3 1 1 A 17 17 GLN CA C 17 56.500 58.868 -2.368 1
1 146 . 3 1 1 A 17 17 GLN CB C 17 29.338 28.863 0.475 1
1 147 . 3 1 1 A 17 17 GLN N N 17 120.232 118.250 1.982 1
1 148 . 3 1 1 A 18 18 ILE H H 18 7.807 7.713 0.094 1
1 149 . 3 1 1 A 18 18 ILE HA H 18 4.238 4.295 -0.057 1
1 159 . 3 1 1 A 18 18 ILE CA C 18 61.932 61.247 0.685 1
1 160 . 3 1 1 A 18 18 ILE CB C 18 38.997 38.330 0.667 1
1 161 . 3 1 1 A 18 18 ILE N N 18 118.727 118.699 0.028 1
1 162 . 3 1 1 A 19 19 GLY H H 19 8.106 8.275 -0.169 1
1 163 . 3 1 1 A 19 19 GLY HA2 H 19 4.054 3.739 0.315 1
1 164 . 3 1 1 A 19 19 GLY HA3 H 19 4.054 3.741 0.313 1
1 165 . 3 1 1 A 19 19 GLY CA C 19 46.338 47.218 -0.880 1
1 166 . 3 1 1 A 19 19 GLY N N 19 109.552 110.320 -0.768 1
1 167 . 3 1 1 A 20 20 GLY H H 20 8.305 8.511 -0.206 1
1 168 . 3 1 1 A 20 20 GLY HA2 H 20 3.877 3.831 0.046 1
1 169 . 3 1 1 A 20 20 GLY HA3 H 20 3.877 3.840 0.037 1
1 170 . 3 1 1 A 20 20 GLY CA C 20 47.746 46.964 0.782 1
1 171 . 3 1 1 A 20 20 GLY N N 20 107.332 108.284 -0.952 1
1 172 . 3 1 1 A 21 21 LEU H H 21 8.046 8.024 0.022 1
1 173 . 3 1 1 A 21 21 LEU HA H 21 4.172 3.996 0.176 1
1 183 . 3 1 1 A 21 21 LEU CA C 21 58.140 57.764 0.376 1
1 184 . 3 1 1 A 21 21 LEU CB C 21 41.812 42.065 -0.253 1
1 185 . 3 1 1 A 21 21 LEU N N 21 119.906 123.339 -3.433 1
1 186 . 3 1 1 A 22 22 VAL H H 22 7.716 8.238 -0.522 1
1 187 . 3 1 1 A 22 22 VAL HA H 22 3.691 3.461 0.230 1
1 195 . 3 1 1 A 22 22 VAL CA C 22 66.872 66.859 0.013 1
1 196 . 3 1 1 A 22 22 VAL CB C 22 67.290 31.780 35.510 1
1 197 . 3 1 1 A 22 22 VAL N N 22 117.489 117.527 -0.038 1
1 198 . 3 1 1 A 23 23 ILE H H 23 7.707 8.199 -0.492 1
1 199 . 3 1 1 A 23 23 ILE HA H 23 3.679 3.573 0.106 1
1 208 . 3 1 1 A 23 23 ILE CA C 23 65.219 65.936 -0.717 1
1 209 . 3 1 1 A 23 23 ILE CB C 23 39.538 38.183 1.355 1
1 210 . 3 1 1 A 23 23 ILE N N 23 117.900 119.577 -1.677 1
1 211 . 3 1 1 A 24 24 ALA H H 24 8.248 8.854 -0.606 1
1 215 . 3 1 1 A 24 24 ALA CA C 24 55.723 55.410 0.313 1
1 216 . 3 1 1 A 24 24 ALA CB C 24 18.223 18.193 0.030 1
1 217 . 3 1 1 A 24 24 ALA N N 24 120.166 122.182 -2.016 1
1 218 . 3 1 1 A 25 25 GLY H H 25 8.482 8.148 0.334 1
1 219 . 3 1 1 A 25 25 GLY HA2 H 25 3.781 3.825 -0.044 1
1 220 . 3 1 1 A 25 25 GLY HA3 H 25 3.692 3.846 -0.154 1
1 221 . 3 1 1 A 25 25 GLY CA C 25 47.860 47.352 0.508 1
1 222 . 3 1 1 A 25 25 GLY N N 25 103.943 106.737 -2.794 1
1 223 . 3 1 1 A 26 26 ILE H H 26 8.401 7.824 0.577 1
1 224 . 3 1 1 A 26 26 ILE HA H 26 3.715 3.830 -0.115 1
1 229 . 3 1 1 A 26 26 ILE CA C 26 65.719 64.686 1.033 1
1 230 . 3 1 1 A 26 26 ILE CB C 26 38.043 37.632 0.411 1
1 231 . 3 1 1 A 26 26 ILE N N 26 120.944 122.496 -1.552 1
1 232 . 3 1 1 A 27 27 LEU H H 27 8.303 7.973 0.330 1
1 233 . 3 1 1 A 27 27 LEU HA H 27 4.011 3.936 0.075 1
1 243 . 3 1 1 A 27 27 LEU CA C 27 58.586 58.154 0.432 1
1 244 . 3 1 1 A 27 27 LEU CB C 27 41.728 42.045 -0.317 1
1 245 . 3 1 1 A 27 27 LEU N N 27 118.806 119.026 -0.220 1
1 246 . 3 1 1 A 28 28 PHE H H 28 8.568 8.375 0.193 1
1 247 . 3 1 1 A 28 28 PHE HA H 28 4.238 4.107 0.131 1
1 252 . 3 1 1 A 28 28 PHE CA C 28 61.596 61.108 0.488 1
1 253 . 3 1 1 A 28 28 PHE CB C 28 39.690 39.315 0.375 1
1 254 . 3 1 1 A 28 28 PHE N N 28 118.499 118.518 -0.019 1
1 255 . 3 1 1 A 29 29 ILE H H 29 8.247 8.513 -0.266 1
1 256 . 3 1 1 A 29 29 ILE HA H 29 3.607 3.730 -0.123 1
1 263 . 3 1 1 A 29 29 ILE CA C 29 65.048 64.943 0.105 1
1 264 . 3 1 1 A 29 29 ILE CB C 29 37.293 37.758 -0.465 1
1 265 . 3 1 1 A 29 29 ILE N N 29 117.892 120.811 -2.919 1
1 266 . 3 1 1 A 30 30 LEU H H 30 8.624 8.526 0.098 1
1 267 . 3 1 1 A 30 30 LEU HA H 30 4.012 4.007 0.005 1
1 277 . 3 1 1 A 30 30 LEU CA C 30 58.624 58.060 0.564 1
1 278 . 3 1 1 A 30 30 LEU CB C 30 42.011 41.686 0.325 1
1 279 . 3 1 1 A 30 30 LEU N N 30 119.146 120.946 -1.800 1
1 280 . 3 1 1 A 31 31 GLY H H 31 8.754 8.420 0.334 1
1 281 . 3 1 1 A 31 31 GLY HA2 H 31 3.643 3.488 0.155 1
1 282 . 3 1 1 A 31 31 GLY HA3 H 31 3.643 3.646 -0.003 1
1 283 . 3 1 1 A 31 31 GLY CA C 31 48.068 47.258 0.810 1
1 284 . 3 1 1 A 31 31 GLY N N 31 106.000 106.537 -0.537 1
1 285 . 3 1 1 A 32 32 ILE H H 32 8.303 8.132 0.171 1
1 286 . 3 1 1 A 32 32 ILE HA H 32 3.622 3.640 -0.018 1
1 296 . 3 1 1 A 32 32 ILE CA C 32 65.126 64.488 0.638 1
1 297 . 3 1 1 A 32 32 ILE CB C 32 39.126 37.655 1.471 1
1 298 . 3 1 1 A 32 32 ILE N N 32 120.840 122.318 -1.478 1
1 299 . 3 1 1 A 33 33 LEU H H 33 8.388 7.929 0.459 1
1 300 . 3 1 1 A 33 33 LEU HA H 33 4.042 4.033 0.009 1
1 310 . 3 1 1 A 33 33 LEU CA C 33 58.672 58.025 0.647 1
1 311 . 3 1 1 A 33 33 LEU CB C 33 40.359 41.583 -1.224 1
1 312 . 3 1 1 A 33 33 LEU N N 33 119.523 119.349 0.174 1
1 313 . 3 1 1 A 34 34 ILE H H 34 8.703 8.699 0.004 1
1 314 . 3 1 1 A 34 34 ILE HA H 34 3.685 3.505 0.180 1
1 319 . 3 1 1 A 34 34 ILE CA C 34 66.120 65.333 0.787 1
1 320 . 3 1 1 A 34 34 ILE CB C 34 37.627 37.695 -0.068 1
1 321 . 3 1 1 A 34 34 ILE N N 34 120.906 119.761 1.145 1
1 322 . 3 1 1 A 35 35 VAL H H 35 8.359 8.158 0.201 1
1 323 . 3 1 1 A 35 35 VAL HA H 35 3.690 3.562 0.128 1
1 331 . 3 1 1 A 35 35 VAL CA C 35 67.546 66.705 0.841 1
1 332 . 3 1 1 A 35 35 VAL CB C 35 31.619 31.754 -0.135 1
1 333 . 3 1 1 A 35 35 VAL N N 35 120.794 119.088 1.706 1
1 334 . 3 1 1 A 36 36 LEU H H 36 9.002 8.136 0.866 1
1 335 . 3 1 1 A 36 36 LEU HA H 36 4.095 4.018 0.077 1
1 345 . 3 1 1 A 36 36 LEU CA C 36 58.589 57.812 0.777 1
1 346 . 3 1 1 A 36 36 LEU CB C 36 42.017 40.836 1.181 1
1 347 . 3 1 1 A 36 36 LEU N N 36 119.433 117.825 1.608 1
1 348 . 3 1 1 A 37 37 SER H H 37 8.585 8.234 0.351 1
1 349 . 3 1 1 A 37 37 SER HA H 37 4.632 4.099 0.533 1
1 352 . 3 1 1 A 37 37 SER CA C 37 62.896 62.027 0.869 1
1 353 . 3 1 1 A 37 37 SER CB C 37 63.973 62.766 1.207 1
1 354 . 3 1 1 A 37 37 SER N N 37 115.400 114.433 0.967 1
1 355 . 3 1 1 A 38 38 ARG H H 38 8.180 7.852 0.328 1
1 356 . 3 1 1 A 38 38 ARG HA H 38 4.218 4.114 0.104 1
1 363 . 3 1 1 A 38 38 ARG CA C 38 59.259 59.205 0.054 1
1 364 . 3 1 1 A 38 38 ARG CB C 38 30.751 29.956 0.795 1
1 365 . 3 1 1 A 38 38 ARG N N 38 121.516 122.381 -0.865 1
1 366 . 3 1 1 A 39 39 ARG H H 39 8.362 7.876 0.486 1
1 367 . 3 1 1 A 39 39 ARG HA H 39 4.373 4.040 0.333 1
1 374 . 3 1 1 A 39 39 ARG CA C 39 58.095 59.017 -0.922 1
1 375 . 3 1 1 A 39 39 ARG CB C 39 30.581 30.066 0.515 1
1 376 . 3 1 1 A 39 39 ARG N N 39 117.803 119.330 -1.527 1
1 377 . 3 1 1 A 40 40 CYS H H 40 8.423 8.227 0.196 1
1 378 . 3 1 1 A 40 40 CYS HA H 40 4.447 4.148 0.299 1
1 381 . 3 1 1 A 40 40 CYS CA C 40 61.514 63.469 -1.955 1
1 382 . 3 1 1 A 40 40 CYS CB C 40 28.091 26.435 1.656 1
1 383 . 3 1 1 A 40 40 CYS N N 40 116.351 118.272 -1.921 1
1 384 . 3 1 1 A 41 41 ARG H H 41 8.095 7.999 0.096 1
1 385 . 3 1 1 A 41 41 ARG HA H 41 4.204 4.104 0.100 1
1 392 . 3 1 1 A 41 41 ARG CA C 41 58.876 59.350 -0.474 1
1 393 . 3 1 1 A 41 41 ARG CB C 41 30.227 30.184 0.043 1
1 394 . 3 1 1 A 41 41 ARG N N 41 119.841 120.617 -0.776 1
1 395 . 3 1 1 A 42 42 CYS H H 42 8.061 7.863 0.198 1
1 396 . 3 1 1 A 42 42 CYS HA H 42 4.435 4.287 0.148 1
1 399 . 3 1 1 A 42 42 CYS CA C 42 60.508 63.587 -3.079 1
1 400 . 3 1 1 A 42 42 CYS CB C 42 27.409 27.242 0.167 1
1 401 . 3 1 1 A 42 42 CYS N N 42 116.220 117.775 -1.555 1
1 402 . 3 1 1 A 43 43 LYS H H 43 7.936 8.185 -0.249 1
1 403 . 3 1 1 A 43 43 LYS HA H 43 4.244 4.123 0.121 1
1 408 . 3 1 1 A 43 43 LYS CA C 43 57.480 58.349 -0.869 1
1 409 . 3 1 1 A 43 43 LYS CB C 43 32.888 32.378 0.510 1
1 410 . 3 1 1 A 43 43 LYS N N 43 120.337 120.149 0.188 1
1 411 . 3 1 1 A 44 44 PHE H H 44 7.966 9.033 -1.067 1
1 412 . 3 1 1 A 44 44 PHE HA H 44 4.664 4.176 0.488 1
1 417 . 3 1 1 A 44 44 PHE CA C 44 58.606 61.262 -2.656 1
1 418 . 3 1 1 A 44 44 PHE CB C 44 39.452 39.489 -0.037 1
1 419 . 3 1 1 A 44 44 PHE N N 44 118.202 121.267 -3.065 1
1 420 . 3 1 1 A 45 45 ASN H H 45 8.147 7.601 0.546 1
1 421 . 3 1 1 A 45 45 ASN HA H 45 4.771 4.778 -0.007 1
1 426 . 3 1 1 A 45 45 ASN CA C 45 53.951 51.837 2.114 1
1 427 . 3 1 1 A 45 45 ASN CB C 45 39.301 38.897 0.404 1
1 428 . 3 1 1 A 45 45 ASN N N 45 118.296 114.192 4.104 1
1 430 . 3 1 1 A 46 46 GLN H H 46 8.209 8.768 -0.559 1
1 431 . 3 1 1 A 46 46 GLN HA H 46 4.344 4.055 0.289 1
1 436 . 3 1 1 A 46 46 GLN CA C 46 56.832 58.112 -1.280 1
1 437 . 3 1 1 A 46 46 GLN CB C 46 29.314 27.933 1.381 1
1 438 . 3 1 1 A 46 46 GLN N N 46 119.469 122.937 -3.468 1
1 439 . 3 1 1 A 47 47 GLN H H 47 8.221 7.959 0.262 1
1 440 . 3 1 1 A 47 47 GLN CA C 47 56.832 59.065 -2.233 1
1 441 . 3 1 1 A 47 47 GLN CB C 47 29.314 28.279 1.035 1
1 442 . 3 1 1 A 47 47 GLN N N 47 119.452 118.565 0.887 1
1 443 . 3 1 1 A 48 48 GLN H H 48 8.058 7.623 0.435 1
1 444 . 3 1 1 A 48 48 GLN HA H 48 4.394 3.991 0.403 1
1 449 . 3 1 1 A 48 48 GLN CA C 48 56.600 58.978 -2.378 1
1 450 . 3 1 1 A 48 48 GLN CB C 48 29.578 28.296 1.282 1
1 451 . 3 1 1 A 48 48 GLN N N 48 119.642 119.940 -0.298 1
1 452 . 3 1 1 A 49 49 ARG H H 49 8.255 7.922 0.333 1
1 453 . 3 1 1 A 49 49 ARG HA H 49 4.475 4.020 0.455 1
1 460 . 3 1 1 A 49 49 ARG CA C 49 56.569 58.690 -2.121 1
1 461 . 3 1 1 A 49 49 ARG CB C 49 30.919 30.084 0.835 1
1 462 . 3 1 1 A 49 49 ARG N N 49 121.599 119.272 2.327 1
1 463 . 3 1 1 A 50 50 THR H H 50 8.113 7.451 0.662 1
1 464 . 3 1 1 A 50 50 THR HA H 50 4.438 4.253 0.185 1
1 469 . 3 1 1 A 50 50 THR CA C 50 62.130 63.994 -1.864 1
1 470 . 3 1 1 A 50 50 THR CB C 50 70.380 69.187 1.193 1
1 471 . 3 1 1 A 50 50 THR N N 50 113.660 114.098 -0.438 1
1 472 . 3 1 1 A 51 51 GLY H H 51 8.296 8.637 -0.341 1
1 473 . 3 1 1 A 51 51 GLY HA2 H 51 4.060 3.884 0.176 1
1 474 . 3 1 1 A 51 51 GLY HA3 H 51 4.060 3.885 0.175 1
1 475 . 3 1 1 A 51 51 GLY CA C 51 45.374 46.976 -1.602 1
1 476 . 3 1 1 A 51 51 GLY N N 51 110.876 112.364 -1.488 1
1 477 . 3 1 1 A 52 52 GLU H H 52 8.153 8.506 -0.353 1
1 478 . 3 1 1 A 52 52 GLU HA H 52 4.729 5.040 -0.311 1
1 483 . 3 1 1 A 52 52 GLU CA C 52 54.072 54.329 -0.257 1
1 484 . 3 1 1 A 52 52 GLU CB C 52 29.347 30.803 -1.456 1
1 485 . 3 1 1 A 52 52 GLU N N 52 120.834 123.830 -2.996 1
1 486 . 3 1 1 A 53 53 PRO HA H 53 4.495 4.512 -0.017 1
1 493 . 3 1 1 A 53 53 PRO CA C 53 63.749 63.118 0.631 1
1 494 . 3 1 1 A 53 53 PRO CB C 53 32.309 32.330 -0.021 1
1 495 . 3 1 1 A 54 54 ASP H H 54 8.402 8.337 0.065 1
1 496 . 3 1 1 A 54 54 ASP HA H 54 4.677 5.008 -0.331 1
1 499 . 3 1 1 A 54 54 ASP CA C 54 54.210 52.958 1.252 1
1 500 . 3 1 1 A 54 54 ASP CB C 54 40.375 42.754 -2.379 1
1 501 . 3 1 1 A 54 54 ASP N N 54 119.287 117.935 1.352 1
1 502 . 3 1 1 A 55 55 GLU H H 55 8.249 9.082 -0.833 1
1 503 . 3 1 1 A 55 55 GLU HA H 55 4.650 3.972 0.678 1
1 508 . 3 1 1 A 55 55 GLU CA C 55 56.397 59.171 -2.774 1
1 509 . 3 1 1 A 55 55 GLU CB C 55 29.461 29.809 -0.348 1
1 510 . 3 1 1 A 55 55 GLU N N 55 120.671 119.430 1.241 1
1 511 . 3 1 1 A 56 56 GLU H H 56 8.257 8.108 0.149 1
1 512 . 3 1 1 A 56 56 GLU HA H 56 4.396 3.961 0.435 1
1 517 . 3 1 1 A 56 56 GLU CA C 56 56.414 57.252 -0.838 1
1 518 . 3 1 1 A 56 56 GLU CB C 56 29.461 28.196 1.265 1
1 519 . 3 1 1 A 56 56 GLU N N 56 119.852 119.504 0.348 1
1 520 . 3 1 1 A 57 57 GLU H H 57 8.311 8.048 0.263 1
1 521 . 3 1 1 A 57 57 GLU HA H 57 4.453 4.170 0.283 1
1 526 . 3 1 1 A 57 57 GLU CA C 57 56.350 58.280 -1.930 1
1 527 . 3 1 1 A 57 57 GLU CB C 57 29.959 30.504 -0.545 1
1 528 . 3 1 1 A 57 57 GLU N N 57 121.046 120.125 0.921 1
1 529 . 3 1 1 A 58 58 GLY H H 58 8.407 8.224 0.183 1
1 530 . 3 1 1 A 58 58 GLY HA2 H 58 4.190 4.124 0.066 1
1 531 . 3 1 1 A 58 58 GLY HA3 H 58 4.190 4.315 -0.125 1
1 532 . 3 1 1 A 58 58 GLY CA C 58 45.841 45.654 0.187 1
1 533 . 3 1 1 A 58 58 GLY N N 58 109.873 110.884 -1.011 1
1 534 . 3 1 1 A 59 59 THR H H 59 8.141 7.794 0.347 1
1 535 . 3 1 1 A 59 59 THR HA H 59 4.348 3.179 1.169 1
1 540 . 3 1 1 A 59 59 THR CA C 59 63.622 62.369 1.253 1
1 541 . 3 1 1 A 59 59 THR CB C 59 70.393 69.312 1.081 1
1 542 . 3 1 1 A 59 59 THR N N 59 114.486 114.909 -0.423 1
1 543 . 3 1 1 A 60 60 PHE H H 60 8.651 8.618 0.033 1
1 544 . 3 1 1 A 60 60 PHE HA H 60 4.439 4.043 0.396 1
1 549 . 3 1 1 A 60 60 PHE CA C 60 61.359 60.658 0.701 1
1 550 . 3 1 1 A 60 60 PHE CB C 60 38.960 38.160 0.800 1
1 551 . 3 1 1 A 60 60 PHE N N 60 123.173 123.930 -0.757 1
1 552 . 3 1 1 A 61 61 ARG H H 61 8.247 8.085 0.162 1
1 553 . 3 1 1 A 61 61 ARG HA H 61 3.932 4.075 -0.143 1
1 560 . 3 1 1 A 61 61 ARG CA C 61 59.472 59.616 -0.144 1
1 561 . 3 1 1 A 61 61 ARG CB C 61 30.162 29.772 0.390 1
1 562 . 3 1 1 A 61 61 ARG N N 61 118.197 119.998 -1.801 1
1 563 . 3 1 1 A 62 62 SER H H 62 8.098 8.312 -0.214 1
1 564 . 3 1 1 A 62 62 SER HA H 62 4.313 4.257 0.056 1
1 567 . 3 1 1 A 62 62 SER CA C 62 61.112 61.523 -0.411 1
1 568 . 3 1 1 A 62 62 SER CB C 62 63.426 62.290 1.136 1
1 569 . 3 1 1 A 62 62 SER N N 62 113.309 115.254 -1.945 1
1 570 . 3 1 1 A 63 63 SER H H 63 8.050 7.427 0.623 1
1 571 . 3 1 1 A 63 63 SER HA H 63 4.361 4.201 0.160 1
1 574 . 3 1 1 A 63 63 SER CA C 63 61.816 61.349 0.467 1
1 575 . 3 1 1 A 63 63 SER CB C 63 64.359 63.131 1.228 1
1 576 . 3 1 1 A 63 63 SER N N 63 118.744 117.394 1.350 1
1 577 . 3 1 1 A 64 64 ILE H H 64 7.813 8.025 -0.212 1
1 578 . 3 1 1 A 64 64 ILE HA H 64 3.936 3.841 0.095 1
1 588 . 3 1 1 A 64 64 ILE CA C 64 63.557 63.689 -0.132 1
1 589 . 3 1 1 A 64 64 ILE CB C 64 37.482 37.308 0.174 1
1 590 . 3 1 1 A 64 64 ILE N N 64 120.616 122.370 -1.754 1
1 591 . 3 1 1 A 65 65 ARG H H 65 7.863 8.252 -0.389 1
1 592 . 3 1 1 A 65 65 ARG HA H 65 4.207 3.944 0.263 1
1 600 . 3 1 1 A 65 65 ARG CA C 65 58.617 59.765 -1.148 1
1 601 . 3 1 1 A 65 65 ARG CB C 65 30.088 29.832 0.256 1
1 602 . 3 1 1 A 65 65 ARG N N 65 120.278 122.496 -2.218 1
1 603 . 3 1 1 A 66 66 ARG H H 66 7.934 7.866 0.068 1
1 604 . 3 1 1 A 66 66 ARG HA H 66 4.251 4.095 0.156 1
1 611 . 3 1 1 A 66 66 ARG CA C 66 58.512 59.065 -0.553 1
1 612 . 3 1 1 A 66 66 ARG CB C 66 30.618 29.887 0.731 1
1 613 . 3 1 1 A 66 66 ARG N N 66 119.070 119.679 -0.609 1
1 614 . 3 1 1 A 67 67 LEU H H 67 8.014 8.443 -0.429 1
1 615 . 3 1 1 A 67 67 LEU HA H 67 4.259 4.350 -0.091 1
1 625 . 3 1 1 A 67 67 LEU CA C 67 57.012 57.511 -0.499 1
1 626 . 3 1 1 A 67 67 LEU CB C 67 42.398 41.152 1.246 1
1 627 . 3 1 1 A 67 67 LEU N N 67 119.999 119.573 0.426 1
1 628 . 3 1 1 A 68 68 SER H H 68 8.091 8.300 -0.209 1
1 629 . 3 1 1 A 68 68 SER HA H 68 4.352 4.228 0.124 1
1 632 . 3 1 1 A 68 68 SER CA C 68 60.421 61.251 -0.830 1
1 633 . 3 1 1 A 68 68 SER CB C 68 63.997 63.098 0.899 1
1 634 . 3 1 1 A 68 68 SER N N 68 113.037 114.856 -1.819 1
1 635 . 3 1 1 A 69 69 THR H H 69 7.765 7.673 0.092 1
1 640 . 3 1 1 A 69 69 THR CA C 69 63.075 63.694 -0.619 1
1 641 . 3 1 1 A 69 69 THR CB C 69 69.994 70.641 -0.647 1
1 642 . 3 1 1 A 69 69 THR N N 69 113.132 113.035 0.097 1
1 643 . 3 1 1 A 70 70 ARG H H 70 7.915 8.441 -0.526 1
1 644 . 3 1 1 A 70 70 ARG HA H 70 4.402 4.630 -0.228 1
1 651 . 3 1 1 A 70 70 ARG CA C 70 57.068 54.764 2.304 1
1 652 . 3 1 1 A 70 70 ARG CB C 70 30.778 31.325 -0.547 1
1 653 . 3 1 1 A 70 70 ARG N N 70 121.113 120.608 0.505 1
1 654 . 3 1 1 A 71 71 ARG H H 71 7.891 8.486 -0.595 1
1 655 . 3 1 1 A 71 71 ARG HA H 71 4.421 4.611 -0.190 1
1 662 . 3 1 1 A 71 71 ARG CA C 71 56.407 55.527 0.880 1
1 663 . 3 1 1 A 71 71 ARG CB C 71 31.156 31.341 -0.185 1
1 664 . 3 1 1 A 71 71 ARG N N 71 118.899 126.862 -7.963 1
1 8 . 4 1 1 A 2 2 SER H H 2 8.707 8.466 0.241 1
1 9 . 4 1 1 A 2 2 SER HA H 2 4.638 5.055 -0.417 1
1 12 . 4 1 1 A 2 2 SER CA C 2 56.699 56.105 0.594 1
1 13 . 4 1 1 A 2 2 SER CB C 2 63.978 65.810 -1.832 1
1 14 . 4 1 1 A 2 2 SER N N 2 118.975 120.668 -1.693 1
1 15 . 4 1 1 A 3 3 PRO HA H 3 4.533 4.651 -0.118 1
1 22 . 4 1 1 A 3 3 PRO CA C 3 64.301 64.432 -0.131 1
1 23 . 4 1 1 A 3 3 PRO CB C 3 32.998 31.779 1.219 1
1 24 . 4 1 1 A 4 4 LYS H H 4 8.117 8.432 -0.315 1
1 25 . 4 1 1 A 4 4 LYS HA H 4 4.314 4.101 0.213 1
1 32 . 4 1 1 A 4 4 LYS CA C 4 56.918 59.131 -2.213 1
1 33 . 4 1 1 A 4 4 LYS CB C 4 33.010 32.213 0.797 1
1 34 . 4 1 1 A 4 4 LYS N N 4 118.277 117.688 0.589 1
1 35 . 4 1 1 A 5 5 GLU HA H 5 4.302 4.003 0.299 1
1 40 . 4 1 1 A 5 5 GLU CA C 5 56.505 59.106 -2.601 1
1 41 . 4 1 1 A 5 5 GLU CB C 5 38.736 29.288 9.448 1
1 42 . 4 1 1 A 6 6 HIS H H 6 8.075 7.684 0.391 1
1 43 . 4 1 1 A 6 6 HIS HA H 6 4.352 4.731 -0.379 1
1 47 . 4 1 1 A 6 6 HIS CA C 6 55.000 56.465 -1.465 1
1 48 . 4 1 1 A 6 6 HIS CB C 6 29.504 29.186 0.318 1
1 49 . 4 1 1 A 6 6 HIS N N 6 117.435 117.434 0.001 1
1 50 . 4 1 1 A 7 7 ASP H H 7 8.249 7.803 0.446 1
1 51 . 4 1 1 A 7 7 ASP HA H 7 4.796 4.526 0.270 1
1 54 . 4 1 1 A 7 7 ASP CA C 7 51.877 59.380 -7.503 1
1 55 . 4 1 1 A 7 7 ASP CB C 7 39.384 38.365 1.019 1
1 56 . 4 1 1 A 7 7 ASP N N 7 120.163 121.062 -0.899 1
1 57 . 4 1 1 A 8 8 PRO HA H 8 4.458 4.478 -0.020 1
1 64 . 4 1 1 A 8 8 PRO CA C 8 63.863 62.455 1.408 1
1 65 . 4 1 1 A 8 8 PRO CB C 8 32.512 29.319 3.193 1
1 66 . 4 1 1 A 9 9 PHE H H 9 7.959 7.218 0.741 1
1 67 . 4 1 1 A 9 9 PHE HA H 9 4.783 5.189 -0.406 1
1 72 . 4 1 1 A 9 9 PHE CA C 9 58.261 55.610 2.651 1
1 73 . 4 1 1 A 9 9 PHE CB C 9 39.190 41.849 -2.659 1
1 74 . 4 1 1 A 9 9 PHE N N 9 118.640 118.111 0.529 1
1 75 . 4 1 1 A 10 10 THR H H 10 7.897 8.700 -0.803 1
1 76 . 4 1 1 A 10 10 THR HA H 10 4.440 4.030 0.410 1
1 81 . 4 1 1 A 10 10 THR CA C 10 62.056 63.924 -1.868 1
1 82 . 4 1 1 A 10 10 THR CB C 10 70.112 68.970 1.142 1
1 83 . 4 1 1 A 10 10 THR N N 10 112.714 115.731 -3.017 1
1 84 . 4 1 1 A 11 11 TYR H H 11 7.615 7.996 -0.381 1
1 85 . 4 1 1 A 11 11 TYR HA H 11 4.471 5.341 -0.870 1
1 90 . 4 1 1 A 11 11 TYR CA C 11 58.365 56.291 2.074 1
1 91 . 4 1 1 A 11 11 TYR CB C 11 70.116 42.443 27.673 1
1 92 . 4 1 1 A 11 11 TYR N N 11 122.022 116.948 5.074 1
1 93 . 4 1 1 A 12 12 ASP H H 12 7.954 8.536 -0.582 1
1 94 . 4 1 1 A 12 12 ASP HA H 12 4.800 4.457 0.343 1
1 97 . 4 1 1 A 12 12 ASP CA C 12 53.013 54.800 -1.787 1
1 98 . 4 1 1 A 12 12 ASP CB C 12 39.384 41.665 -2.281 1
1 99 . 4 1 1 A 12 12 ASP N N 12 121.560 123.013 -1.453 1
1 100 . 4 1 1 A 13 13 TYR H H 13 7.949 7.557 0.392 1
1 101 . 4 1 1 A 13 13 TYR HA H 13 4.435 4.686 -0.251 1
1 106 . 4 1 1 A 13 13 TYR CA C 13 59.555 57.856 1.699 1
1 107 . 4 1 1 A 13 13 TYR CB C 13 39.589 37.779 1.810 1
1 108 . 4 1 1 A 13 13 TYR N N 13 121.914 117.413 4.501 1
1 109 . 4 1 1 A 14 14 GLN H H 14 8.173 8.023 0.150 1
1 110 . 4 1 1 A 14 14 GLN HA H 14 4.222 4.004 0.218 1
1 115 . 4 1 1 A 14 14 GLN CA C 14 57.621 59.150 -1.529 1
1 116 . 4 1 1 A 14 14 GLN CB C 14 28.821 28.322 0.499 1
1 117 . 4 1 1 A 14 14 GLN N N 14 119.118 121.769 -2.651 1
1 118 . 4 1 1 A 15 15 SER H H 15 7.888 8.344 -0.456 1
1 119 . 4 1 1 A 15 15 SER HA H 15 4.485 4.308 0.177 1
1 122 . 4 1 1 A 15 15 SER CA C 15 59.326 61.345 -2.019 1
1 123 . 4 1 1 A 15 15 SER CB C 15 64.123 62.900 1.223 1
1 124 . 4 1 1 A 15 15 SER N N 15 114.275 114.915 -0.640 1
1 125 . 4 1 1 A 16 16 LEU H H 16 7.791 8.257 -0.466 1
1 126 . 4 1 1 A 16 16 LEU HA H 16 4.430 4.145 0.285 1
1 136 . 4 1 1 A 16 16 LEU CA C 16 55.849 57.126 -1.277 1
1 137 . 4 1 1 A 16 16 LEU CB C 16 43.036 41.771 1.265 1
1 138 . 4 1 1 A 16 16 LEU N N 16 122.606 124.501 -1.895 1
1 139 . 4 1 1 A 17 17 GLN H H 17 8.281 8.366 -0.085 1
1 140 . 4 1 1 A 17 17 GLN HA H 17 4.426 3.973 0.453 1
1 145 . 4 1 1 A 17 17 GLN CA C 17 56.500 59.215 -2.715 1
1 146 . 4 1 1 A 17 17 GLN CB C 17 29.338 28.155 1.183 1
1 147 . 4 1 1 A 17 17 GLN N N 17 120.232 118.519 1.713 1
1 148 . 4 1 1 A 18 18 ILE H H 18 7.807 7.810 -0.003 1
1 149 . 4 1 1 A 18 18 ILE HA H 18 4.238 4.133 0.105 1
1 159 . 4 1 1 A 18 18 ILE CA C 18 61.932 62.718 -0.786 1
1 160 . 4 1 1 A 18 18 ILE CB C 18 38.997 38.369 0.628 1
1 161 . 4 1 1 A 18 18 ILE N N 18 118.727 119.220 -0.493 1
1 162 . 4 1 1 A 19 19 GLY H H 19 8.106 7.992 0.114 1
1 163 . 4 1 1 A 19 19 GLY HA2 H 19 4.054 3.743 0.311 1
1 164 . 4 1 1 A 19 19 GLY HA3 H 19 4.054 3.745 0.309 1
1 165 . 4 1 1 A 19 19 GLY CA C 19 46.338 47.347 -1.009 1
1 166 . 4 1 1 A 19 19 GLY N N 19 109.552 109.470 0.082 1
1 167 . 4 1 1 A 20 20 GLY H H 20 8.305 8.529 -0.224 1
1 168 . 4 1 1 A 20 20 GLY HA2 H 20 3.877 3.813 0.064 1
1 169 . 4 1 1 A 20 20 GLY HA3 H 20 3.877 3.822 0.055 1
1 170 . 4 1 1 A 20 20 GLY CA C 20 47.746 47.066 0.680 1
1 171 . 4 1 1 A 20 20 GLY N N 20 107.332 108.463 -1.131 1
1 172 . 4 1 1 A 21 21 LEU H H 21 8.046 8.071 -0.025 1
1 173 . 4 1 1 A 21 21 LEU HA H 21 4.172 3.988 0.184 1
1 183 . 4 1 1 A 21 21 LEU CA C 21 58.140 57.691 0.449 1
1 184 . 4 1 1 A 21 21 LEU CB C 21 41.812 41.806 0.006 1
1 185 . 4 1 1 A 21 21 LEU N N 21 119.906 123.015 -3.109 1
1 186 . 4 1 1 A 22 22 VAL H H 22 7.716 8.287 -0.571 1
1 187 . 4 1 1 A 22 22 VAL HA H 22 3.691 3.453 0.238 1
1 195 . 4 1 1 A 22 22 VAL CA C 22 66.872 66.803 0.069 1
1 196 . 4 1 1 A 22 22 VAL CB C 22 67.290 31.734 35.556 1
1 197 . 4 1 1 A 22 22 VAL N N 22 117.489 117.629 -0.140 1
1 198 . 4 1 1 A 23 23 ILE H H 23 7.707 8.238 -0.531 1
1 199 . 4 1 1 A 23 23 ILE HA H 23 3.679 3.625 0.054 1
1 208 . 4 1 1 A 23 23 ILE CA C 23 65.219 65.957 -0.738 1
1 209 . 4 1 1 A 23 23 ILE CB C 23 39.538 38.160 1.378 1
1 210 . 4 1 1 A 23 23 ILE N N 23 117.900 119.635 -1.735 1
1 211 . 4 1 1 A 24 24 ALA H H 24 8.248 8.844 -0.596 1
1 215 . 4 1 1 A 24 24 ALA CA C 24 55.723 55.258 0.465 1
1 216 . 4 1 1 A 24 24 ALA CB C 24 18.223 18.428 -0.205 1
1 217 . 4 1 1 A 24 24 ALA N N 24 120.166 122.241 -2.075 1
1 218 . 4 1 1 A 25 25 GLY H H 25 8.482 8.139 0.343 1
1 219 . 4 1 1 A 25 25 GLY HA2 H 25 3.781 3.830 -0.049 1
1 220 . 4 1 1 A 25 25 GLY HA3 H 25 3.692 3.842 -0.150 1
1 221 . 4 1 1 A 25 25 GLY CA C 25 47.860 47.341 0.519 1
1 222 . 4 1 1 A 25 25 GLY N N 25 103.943 106.655 -2.712 1
1 223 . 4 1 1 A 26 26 ILE H H 26 8.401 7.811 0.590 1
1 224 . 4 1 1 A 26 26 ILE HA H 26 3.715 3.833 -0.118 1
1 229 . 4 1 1 A 26 26 ILE CA C 26 65.719 64.697 1.022 1
1 230 . 4 1 1 A 26 26 ILE CB C 26 38.043 37.705 0.338 1
1 231 . 4 1 1 A 26 26 ILE N N 26 120.944 122.547 -1.603 1
1 232 . 4 1 1 A 27 27 LEU H H 27 8.303 8.129 0.174 1
1 233 . 4 1 1 A 27 27 LEU HA H 27 4.011 4.005 0.006 1
1 243 . 4 1 1 A 27 27 LEU CA C 27 58.586 58.359 0.227 1
1 244 . 4 1 1 A 27 27 LEU CB C 27 41.728 41.838 -0.110 1
1 245 . 4 1 1 A 27 27 LEU N N 27 118.806 121.210 -2.404 1
1 246 . 4 1 1 A 28 28 PHE H H 28 8.568 7.947 0.621 1
1 247 . 4 1 1 A 28 28 PHE HA H 28 4.238 4.180 0.058 1
1 252 . 4 1 1 A 28 28 PHE CA C 28 61.596 61.203 0.393 1
1 253 . 4 1 1 A 28 28 PHE CB C 28 39.690 38.630 1.060 1
1 254 . 4 1 1 A 28 28 PHE N N 28 118.499 117.355 1.144 1
1 255 . 4 1 1 A 29 29 ILE H H 29 8.247 8.338 -0.091 1
1 256 . 4 1 1 A 29 29 ILE HA H 29 3.607 3.680 -0.073 1
1 263 . 4 1 1 A 29 29 ILE CA C 29 65.048 65.073 -0.025 1
1 264 . 4 1 1 A 29 29 ILE CB C 29 37.293 37.749 -0.456 1
1 265 . 4 1 1 A 29 29 ILE N N 29 117.892 120.413 -2.521 1
1 266 . 4 1 1 A 30 30 LEU H H 30 8.624 8.508 0.116 1
1 267 . 4 1 1 A 30 30 LEU HA H 30 4.012 4.026 -0.014 1
1 277 . 4 1 1 A 30 30 LEU CA C 30 58.624 57.809 0.815 1
1 278 . 4 1 1 A 30 30 LEU CB C 30 42.011 41.921 0.090 1
1 279 . 4 1 1 A 30 30 LEU N N 30 119.146 121.401 -2.255 1
1 280 . 4 1 1 A 31 31 GLY H H 31 8.754 8.469 0.285 1
1 281 . 4 1 1 A 31 31 GLY HA2 H 31 3.643 3.644 -0.001 1
1 282 . 4 1 1 A 31 31 GLY HA3 H 31 3.643 3.689 -0.046 1
1 283 . 4 1 1 A 31 31 GLY CA C 31 48.068 47.367 0.701 1
1 284 . 4 1 1 A 31 31 GLY N N 31 106.000 106.749 -0.749 1
1 285 . 4 1 1 A 32 32 ILE H H 32 8.303 8.579 -0.276 1
1 286 . 4 1 1 A 32 32 ILE HA H 32 3.622 3.802 -0.180 1
1 296 . 4 1 1 A 32 32 ILE CA C 32 65.126 64.634 0.492 1
1 297 . 4 1 1 A 32 32 ILE CB C 32 39.126 37.807 1.319 1
1 298 . 4 1 1 A 32 32 ILE N N 32 120.840 122.429 -1.589 1
1 299 . 4 1 1 A 33 33 LEU H H 33 8.388 8.068 0.320 1
1 300 . 4 1 1 A 33 33 LEU HA H 33 4.042 4.049 -0.007 1
1 310 . 4 1 1 A 33 33 LEU CA C 33 58.672 58.074 0.598 1
1 311 . 4 1 1 A 33 33 LEU CB C 33 40.359 41.594 -1.235 1
1 312 . 4 1 1 A 33 33 LEU N N 33 119.523 119.461 0.062 1
1 313 . 4 1 1 A 34 34 ILE H H 34 8.703 8.704 -0.001 1
1 314 . 4 1 1 A 34 34 ILE HA H 34 3.685 3.515 0.170 1
1 319 . 4 1 1 A 34 34 ILE CA C 34 66.120 65.355 0.765 1
1 320 . 4 1 1 A 34 34 ILE CB C 34 37.627 37.688 -0.061 1
1 321 . 4 1 1 A 34 34 ILE N N 34 120.906 119.778 1.128 1
1 322 . 4 1 1 A 35 35 VAL H H 35 8.359 8.119 0.240 1
1 323 . 4 1 1 A 35 35 VAL HA H 35 3.690 3.570 0.120 1
1 331 . 4 1 1 A 35 35 VAL CA C 35 67.546 66.759 0.787 1
1 332 . 4 1 1 A 35 35 VAL CB C 35 31.619 31.773 -0.154 1
1 333 . 4 1 1 A 35 35 VAL N N 35 120.794 119.086 1.708 1
1 334 . 4 1 1 A 36 36 LEU H H 36 9.002 8.116 0.886 1
1 335 . 4 1 1 A 36 36 LEU HA H 36 4.095 3.995 0.100 1
1 345 . 4 1 1 A 36 36 LEU CA C 36 58.589 57.828 0.761 1
1 346 . 4 1 1 A 36 36 LEU CB C 36 42.017 41.301 0.716 1
1 347 . 4 1 1 A 36 36 LEU N N 36 119.433 120.756 -1.323 1
1 348 . 4 1 1 A 37 37 SER H H 37 8.585 8.249 0.336 1
1 349 . 4 1 1 A 37 37 SER HA H 37 4.632 4.108 0.524 1
1 352 . 4 1 1 A 37 37 SER CA C 37 62.896 61.463 1.433 1
1 353 . 4 1 1 A 37 37 SER CB C 37 63.973 62.834 1.139 1
1 354 . 4 1 1 A 37 37 SER N N 37 115.400 115.348 0.052 1
1 355 . 4 1 1 A 38 38 ARG H H 38 8.180 7.752 0.428 1
1 356 . 4 1 1 A 38 38 ARG HA H 38 4.218 4.061 0.157 1
1 363 . 4 1 1 A 38 38 ARG CA C 38 59.259 59.255 0.004 1
1 364 . 4 1 1 A 38 38 ARG CB C 38 30.751 29.939 0.812 1
1 365 . 4 1 1 A 38 38 ARG N N 38 121.516 122.736 -1.220 1
1 366 . 4 1 1 A 39 39 ARG H H 39 8.362 7.844 0.518 1
1 367 . 4 1 1 A 39 39 ARG HA H 39 4.373 4.066 0.307 1
1 374 . 4 1 1 A 39 39 ARG CA C 39 58.095 59.187 -1.092 1
1 375 . 4 1 1 A 39 39 ARG CB C 39 30.581 29.769 0.812 1
1 376 . 4 1 1 A 39 39 ARG N N 39 117.803 118.594 -0.791 1
1 377 . 4 1 1 A 40 40 CYS H H 40 8.423 8.206 0.217 1
1 378 . 4 1 1 A 40 40 CYS HA H 40 4.447 4.178 0.269 1
1 381 . 4 1 1 A 40 40 CYS CA C 40 61.514 63.304 -1.790 1
1 382 . 4 1 1 A 40 40 CYS CB C 40 28.091 26.229 1.862 1
1 383 . 4 1 1 A 40 40 CYS N N 40 116.351 119.008 -2.657 1
1 384 . 4 1 1 A 41 41 ARG H H 41 8.095 8.201 -0.106 1
1 385 . 4 1 1 A 41 41 ARG HA H 41 4.204 4.042 0.162 1
1 392 . 4 1 1 A 41 41 ARG CA C 41 58.876 59.195 -0.319 1
1 393 . 4 1 1 A 41 41 ARG CB C 41 30.227 30.118 0.109 1
1 394 . 4 1 1 A 41 41 ARG N N 41 119.841 120.660 -0.819 1
1 395 . 4 1 1 A 42 42 CYS H H 42 8.061 7.840 0.221 1
1 396 . 4 1 1 A 42 42 CYS HA H 42 4.435 4.238 0.197 1
1 399 . 4 1 1 A 42 42 CYS CA C 42 60.508 63.965 -3.457 1
1 400 . 4 1 1 A 42 42 CYS CB C 42 27.409 27.090 0.319 1
1 401 . 4 1 1 A 42 42 CYS N N 42 116.220 117.869 -1.649 1
1 402 . 4 1 1 A 43 43 LYS H H 43 7.936 8.151 -0.215 1
1 403 . 4 1 1 A 43 43 LYS HA H 43 4.244 4.231 0.013 1
1 408 . 4 1 1 A 43 43 LYS CA C 43 57.480 58.027 -0.547 1
1 409 . 4 1 1 A 43 43 LYS CB C 43 32.888 32.361 0.527 1
1 410 . 4 1 1 A 43 43 LYS N N 43 120.337 120.286 0.051 1
1 411 . 4 1 1 A 44 44 PHE H H 44 7.966 9.174 -1.208 1
1 412 . 4 1 1 A 44 44 PHE HA H 44 4.664 4.273 0.391 1
1 417 . 4 1 1 A 44 44 PHE CA C 44 58.606 59.540 -0.934 1
1 418 . 4 1 1 A 44 44 PHE CB C 44 39.452 39.178 0.274 1
1 419 . 4 1 1 A 44 44 PHE N N 44 118.202 118.383 -0.181 1
1 420 . 4 1 1 A 45 45 ASN H H 45 8.147 7.470 0.677 1
1 421 . 4 1 1 A 45 45 ASN HA H 45 4.771 5.146 -0.375 1
1 426 . 4 1 1 A 45 45 ASN CA C 45 53.951 52.119 1.832 1
1 427 . 4 1 1 A 45 45 ASN CB C 45 39.301 38.596 0.705 1
1 428 . 4 1 1 A 45 45 ASN N N 45 118.296 114.497 3.799 1
1 430 . 4 1 1 A 46 46 GLN H H 46 8.209 8.190 0.019 1
1 431 . 4 1 1 A 46 46 GLN HA H 46 4.344 3.893 0.451 1
1 436 . 4 1 1 A 46 46 GLN CA C 46 56.832 59.096 -2.264 1
1 437 . 4 1 1 A 46 46 GLN CB C 46 29.314 28.515 0.799 1
1 438 . 4 1 1 A 46 46 GLN N N 46 119.469 121.768 -2.299 1
1 439 . 4 1 1 A 47 47 GLN H H 47 8.221 8.205 0.016 1
1 440 . 4 1 1 A 47 47 GLN CA C 47 56.832 59.199 -2.367 1
1 441 . 4 1 1 A 47 47 GLN CB C 47 29.314 28.342 0.972 1
1 442 . 4 1 1 A 47 47 GLN N N 47 119.452 118.506 0.946 1
1 443 . 4 1 1 A 48 48 GLN H H 48 8.058 7.733 0.325 1
1 444 . 4 1 1 A 48 48 GLN HA H 48 4.394 4.154 0.240 1
1 449 . 4 1 1 A 48 48 GLN CA C 48 56.600 59.126 -2.526 1
1 450 . 4 1 1 A 48 48 GLN CB C 48 29.578 28.207 1.371 1
1 451 . 4 1 1 A 48 48 GLN N N 48 119.642 119.318 0.324 1
1 452 . 4 1 1 A 49 49 ARG H H 49 8.255 7.594 0.661 1
1 453 . 4 1 1 A 49 49 ARG HA H 49 4.475 3.949 0.526 1
1 460 . 4 1 1 A 49 49 ARG CA C 49 56.569 57.298 -0.729 1
1 461 . 4 1 1 A 49 49 ARG CB C 49 30.919 29.180 1.739 1
1 462 . 4 1 1 A 49 49 ARG N N 49 121.599 119.448 2.151 1
1 463 . 4 1 1 A 50 50 THR H H 50 8.113 7.628 0.485 1
1 464 . 4 1 1 A 50 50 THR HA H 50 4.438 4.957 -0.519 1
1 469 . 4 1 1 A 50 50 THR CA C 50 62.130 59.484 2.646 1
1 470 . 4 1 1 A 50 50 THR CB C 50 70.380 72.308 -1.928 1
1 471 . 4 1 1 A 50 50 THR N N 50 113.660 108.623 5.037 1
1 472 . 4 1 1 A 51 51 GLY H H 51 8.296 8.739 -0.443 1
1 473 . 4 1 1 A 51 51 GLY HA2 H 51 4.060 4.034 0.026 1
1 474 . 4 1 1 A 51 51 GLY HA3 H 51 4.060 4.035 0.025 1
1 475 . 4 1 1 A 51 51 GLY CA C 51 45.374 46.566 -1.192 1
1 476 . 4 1 1 A 51 51 GLY N N 51 110.876 109.463 1.413 1
1 477 . 4 1 1 A 52 52 GLU H H 52 8.153 8.222 -0.069 1
1 478 . 4 1 1 A 52 52 GLU HA H 52 4.729 4.760 -0.031 1
1 483 . 4 1 1 A 52 52 GLU CA C 52 54.072 52.949 1.123 1
1 484 . 4 1 1 A 52 52 GLU CB C 52 29.347 30.571 -1.224 1
1 485 . 4 1 1 A 52 52 GLU N N 52 120.834 122.162 -1.328 1
1 486 . 4 1 1 A 53 53 PRO HA H 53 4.495 4.474 0.021 1
1 493 . 4 1 1 A 53 53 PRO CA C 53 63.749 63.137 0.612 1
1 494 . 4 1 1 A 53 53 PRO CB C 53 32.309 32.380 -0.071 1
1 495 . 4 1 1 A 54 54 ASP H H 54 8.402 8.808 -0.406 1
1 496 . 4 1 1 A 54 54 ASP HA H 54 4.677 4.830 -0.153 1
1 499 . 4 1 1 A 54 54 ASP CA C 54 54.210 53.397 0.813 1
1 500 . 4 1 1 A 54 54 ASP CB C 54 40.375 41.340 -0.965 1
1 501 . 4 1 1 A 54 54 ASP N N 54 119.287 123.383 -4.096 1
1 502 . 4 1 1 A 55 55 GLU H H 55 8.249 8.922 -0.673 1
1 503 . 4 1 1 A 55 55 GLU HA H 55 4.650 3.946 0.704 1
1 508 . 4 1 1 A 55 55 GLU CA C 55 56.397 58.583 -2.186 1
1 509 . 4 1 1 A 55 55 GLU CB C 55 29.461 28.383 1.078 1
1 510 . 4 1 1 A 55 55 GLU N N 55 120.671 124.797 -4.126 1
1 511 . 4 1 1 A 56 56 GLU H H 56 8.257 8.447 -0.190 1
1 512 . 4 1 1 A 56 56 GLU HA H 56 4.396 4.476 -0.080 1
1 517 . 4 1 1 A 56 56 GLU CA C 56 56.414 55.878 0.536 1
1 518 . 4 1 1 A 56 56 GLU CB C 56 29.461 30.441 -0.980 1
1 519 . 4 1 1 A 56 56 GLU N N 56 119.852 125.538 -5.686 1
1 520 . 4 1 1 A 57 57 GLU H H 57 8.311 8.934 -0.623 1
1 521 . 4 1 1 A 57 57 GLU HA H 57 4.453 4.217 0.236 1
1 526 . 4 1 1 A 57 57 GLU CA C 57 56.350 56.903 -0.553 1
1 527 . 4 1 1 A 57 57 GLU CB C 57 29.959 30.014 -0.055 1
1 528 . 4 1 1 A 57 57 GLU N N 57 121.046 126.640 -5.594 1
1 529 . 4 1 1 A 58 58 GLY H H 58 8.407 7.784 0.623 1
1 530 . 4 1 1 A 58 58 GLY HA2 H 58 4.190 4.058 0.132 1
1 531 . 4 1 1 A 58 58 GLY HA3 H 58 4.190 4.118 0.072 1
1 532 . 4 1 1 A 58 58 GLY CA C 58 45.841 45.377 0.464 1
1 533 . 4 1 1 A 58 58 GLY N N 58 109.873 106.194 3.679 1
1 534 . 4 1 1 A 59 59 THR H H 59 8.141 7.793 0.348 1
1 535 . 4 1 1 A 59 59 THR HA H 59 4.348 3.931 0.417 1
1 540 . 4 1 1 A 59 59 THR CA C 59 63.622 62.718 0.904 1
1 541 . 4 1 1 A 59 59 THR CB C 59 70.393 68.939 1.454 1
1 542 . 4 1 1 A 59 59 THR N N 59 114.486 115.522 -1.036 1
1 543 . 4 1 1 A 60 60 PHE H H 60 8.651 8.909 -0.258 1
1 544 . 4 1 1 A 60 60 PHE HA H 60 4.439 4.127 0.312 1
1 549 . 4 1 1 A 60 60 PHE CA C 60 61.359 61.308 0.051 1
1 550 . 4 1 1 A 60 60 PHE CB C 60 38.960 38.597 0.363 1
1 551 . 4 1 1 A 60 60 PHE N N 60 123.173 124.530 -1.357 1
1 552 . 4 1 1 A 61 61 ARG H H 61 8.247 8.127 0.120 1
1 553 . 4 1 1 A 61 61 ARG HA H 61 3.932 3.967 -0.035 1
1 560 . 4 1 1 A 61 61 ARG CA C 61 59.472 59.737 -0.265 1
1 561 . 4 1 1 A 61 61 ARG CB C 61 30.162 29.816 0.346 1
1 562 . 4 1 1 A 61 61 ARG N N 61 118.197 118.768 -0.571 1
1 563 . 4 1 1 A 62 62 SER H H 62 8.098 7.749 0.349 1
1 564 . 4 1 1 A 62 62 SER HA H 62 4.313 4.148 0.165 1
1 567 . 4 1 1 A 62 62 SER CA C 62 61.112 61.289 -0.177 1
1 568 . 4 1 1 A 62 62 SER CB C 62 63.426 63.057 0.369 1
1 569 . 4 1 1 A 62 62 SER N N 62 113.309 115.907 -2.598 1
1 570 . 4 1 1 A 63 63 SER H H 63 8.050 8.061 -0.011 1
1 571 . 4 1 1 A 63 63 SER HA H 63 4.361 4.157 0.204 1
1 574 . 4 1 1 A 63 63 SER CA C 63 61.816 61.538 0.278 1
1 575 . 4 1 1 A 63 63 SER CB C 63 64.359 62.708 1.651 1
1 576 . 4 1 1 A 63 63 SER N N 63 118.744 115.964 2.780 1
1 577 . 4 1 1 A 64 64 ILE H H 64 7.813 8.028 -0.215 1
1 578 . 4 1 1 A 64 64 ILE HA H 64 3.936 3.827 0.109 1
1 588 . 4 1 1 A 64 64 ILE CA C 64 63.557 63.804 -0.247 1
1 589 . 4 1 1 A 64 64 ILE CB C 64 37.482 37.297 0.185 1
1 590 . 4 1 1 A 64 64 ILE N N 64 120.616 123.906 -3.290 1
1 591 . 4 1 1 A 65 65 ARG H H 65 7.863 8.096 -0.233 1
1 592 . 4 1 1 A 65 65 ARG HA H 65 4.207 3.942 0.265 1
1 600 . 4 1 1 A 65 65 ARG CA C 65 58.617 59.798 -1.181 1
1 601 . 4 1 1 A 65 65 ARG CB C 65 30.088 29.774 0.314 1
1 602 . 4 1 1 A 65 65 ARG N N 65 120.278 122.642 -2.364 1
1 603 . 4 1 1 A 66 66 ARG H H 66 7.934 7.727 0.207 1
1 604 . 4 1 1 A 66 66 ARG HA H 66 4.251 4.095 0.156 1
1 611 . 4 1 1 A 66 66 ARG CA C 66 58.512 59.031 -0.519 1
1 612 . 4 1 1 A 66 66 ARG CB C 66 30.618 29.896 0.722 1
1 613 . 4 1 1 A 66 66 ARG N N 66 119.070 119.436 -0.366 1
1 614 . 4 1 1 A 67 67 LEU H H 67 8.014 8.315 -0.301 1
1 615 . 4 1 1 A 67 67 LEU HA H 67 4.259 4.070 0.189 1
1 625 . 4 1 1 A 67 67 LEU CA C 67 57.012 57.490 -0.478 1
1 626 . 4 1 1 A 67 67 LEU CB C 67 42.398 41.036 1.362 1
1 627 . 4 1 1 A 67 67 LEU N N 67 119.999 119.522 0.477 1
1 628 . 4 1 1 A 68 68 SER H H 68 8.091 8.298 -0.207 1
1 629 . 4 1 1 A 68 68 SER HA H 68 4.352 4.194 0.158 1
1 632 . 4 1 1 A 68 68 SER CA C 68 60.421 61.432 -1.011 1
1 633 . 4 1 1 A 68 68 SER CB C 68 63.997 62.140 1.857 1
1 634 . 4 1 1 A 68 68 SER N N 68 113.037 113.556 -0.519 1
1 635 . 4 1 1 A 69 69 THR H H 69 7.765 7.719 0.046 1
1 640 . 4 1 1 A 69 69 THR CA C 69 63.075 63.427 -0.352 1
1 641 . 4 1 1 A 69 69 THR CB C 69 69.994 69.632 0.362 1
1 642 . 4 1 1 A 69 69 THR N N 69 113.132 113.322 -0.190 1
1 643 . 4 1 1 A 70 70 ARG H H 70 7.915 8.603 -0.688 1
1 644 . 4 1 1 A 70 70 ARG HA H 70 4.402 4.057 0.345 1
1 651 . 4 1 1 A 70 70 ARG CA C 70 57.068 58.759 -1.691 1
1 652 . 4 1 1 A 70 70 ARG CB C 70 30.778 30.504 0.274 1
1 653 . 4 1 1 A 70 70 ARG N N 70 121.113 122.135 -1.022 1
1 654 . 4 1 1 A 71 71 ARG H H 71 7.891 7.145 0.746 1
1 655 . 4 1 1 A 71 71 ARG HA H 71 4.421 4.657 -0.236 1
1 662 . 4 1 1 A 71 71 ARG CA C 71 56.407 54.127 2.280 1
1 663 . 4 1 1 A 71 71 ARG CB C 71 31.156 33.352 -2.196 1
1 664 . 4 1 1 A 71 71 ARG N N 71 118.899 117.503 1.396 1
1 8 . 5 1 1 A 2 2 SER H H 2 8.707 8.361 0.346 1
1 9 . 5 1 1 A 2 2 SER HA H 2 4.638 4.932 -0.294 1
1 12 . 5 1 1 A 2 2 SER CA C 2 56.699 56.561 0.138 1
1 13 . 5 1 1 A 2 2 SER CB C 2 63.978 63.453 0.525 1
1 14 . 5 1 1 A 2 2 SER N N 2 118.975 115.314 3.661 1
1 15 . 5 1 1 A 3 3 PRO HA H 3 4.533 4.441 0.092 1
1 22 . 5 1 1 A 3 3 PRO CA C 3 64.301 64.575 -0.274 1
1 23 . 5 1 1 A 3 3 PRO CB C 3 32.998 32.001 0.997 1
1 24 . 5 1 1 A 4 4 LYS H H 4 8.117 8.616 -0.499 1
1 25 . 5 1 1 A 4 4 LYS HA H 4 4.314 4.066 0.248 1
1 32 . 5 1 1 A 4 4 LYS CA C 4 56.918 57.842 -0.924 1
1 33 . 5 1 1 A 4 4 LYS CB C 4 33.010 32.344 0.666 1
1 34 . 5 1 1 A 4 4 LYS N N 4 118.277 116.880 1.397 1
1 35 . 5 1 1 A 5 5 GLU HA H 5 4.302 4.427 -0.125 1
1 40 . 5 1 1 A 5 5 GLU CA C 5 56.505 54.735 1.770 1
1 41 . 5 1 1 A 5 5 GLU CB C 5 38.736 31.065 7.671 1
1 42 . 5 1 1 A 6 6 HIS H H 6 8.075 8.668 -0.593 1
1 43 . 5 1 1 A 6 6 HIS HA H 6 4.352 5.102 -0.750 1
1 47 . 5 1 1 A 6 6 HIS CA C 6 55.000 54.705 0.295 1
1 48 . 5 1 1 A 6 6 HIS CB C 6 29.504 32.609 -3.105 1
1 49 . 5 1 1 A 6 6 HIS N N 6 117.435 120.526 -3.091 1
1 50 . 5 1 1 A 7 7 ASP H H 7 8.249 8.870 -0.621 1
1 51 . 5 1 1 A 7 7 ASP HA H 7 4.796 5.234 -0.438 1
1 54 . 5 1 1 A 7 7 ASP CA C 7 51.877 51.757 0.120 1
1 55 . 5 1 1 A 7 7 ASP CB C 7 39.384 41.158 -1.774 1
1 56 . 5 1 1 A 7 7 ASP N N 7 120.163 123.633 -3.470 1
1 57 . 5 1 1 A 8 8 PRO HA H 8 4.458 4.514 -0.056 1
1 64 . 5 1 1 A 8 8 PRO CA C 8 63.863 64.745 -0.882 1
1 65 . 5 1 1 A 8 8 PRO CB C 8 32.512 31.795 0.717 1
1 66 . 5 1 1 A 9 9 PHE H H 9 7.959 7.868 0.091 1
1 67 . 5 1 1 A 9 9 PHE HA H 9 4.783 4.294 0.489 1
1 72 . 5 1 1 A 9 9 PHE CA C 9 58.261 60.995 -2.734 1
1 73 . 5 1 1 A 9 9 PHE CB C 9 39.190 38.277 0.913 1
1 74 . 5 1 1 A 9 9 PHE N N 9 118.640 116.832 1.808 1
1 75 . 5 1 1 A 10 10 THR H H 10 7.897 7.699 0.198 1
1 76 . 5 1 1 A 10 10 THR HA H 10 4.440 3.965 0.475 1
1 81 . 5 1 1 A 10 10 THR CA C 10 62.056 66.250 -4.194 1
1 82 . 5 1 1 A 10 10 THR CB C 10 70.112 68.555 1.557 1
1 83 . 5 1 1 A 10 10 THR N N 10 112.714 113.843 -1.129 1
1 84 . 5 1 1 A 11 11 TYR H H 11 7.615 7.913 -0.298 1
1 85 . 5 1 1 A 11 11 TYR HA H 11 4.471 5.334 -0.863 1
1 90 . 5 1 1 A 11 11 TYR CA C 11 58.365 56.876 1.489 1
1 91 . 5 1 1 A 11 11 TYR CB C 11 70.116 41.555 28.561 1
1 92 . 5 1 1 A 11 11 TYR N N 11 122.022 117.315 4.707 1
1 93 . 5 1 1 A 12 12 ASP H H 12 7.954 9.314 -1.360 1
1 94 . 5 1 1 A 12 12 ASP HA H 12 4.800 4.926 -0.126 1
1 97 . 5 1 1 A 12 12 ASP CA C 12 53.013 54.450 -1.437 1
1 98 . 5 1 1 A 12 12 ASP CB C 12 39.384 42.719 -3.335 1
1 99 . 5 1 1 A 12 12 ASP N N 12 121.560 124.957 -3.397 1
1 100 . 5 1 1 A 13 13 TYR H H 13 7.949 8.377 -0.428 1
1 101 . 5 1 1 A 13 13 TYR HA H 13 4.435 4.692 -0.257 1
1 106 . 5 1 1 A 13 13 TYR CA C 13 59.555 58.160 1.395 1
1 107 . 5 1 1 A 13 13 TYR CB C 13 39.589 37.687 1.902 1
1 108 . 5 1 1 A 13 13 TYR N N 13 121.914 117.500 4.414 1
1 109 . 5 1 1 A 14 14 GLN H H 14 8.173 8.067 0.106 1
1 110 . 5 1 1 A 14 14 GLN HA H 14 4.222 4.021 0.201 1
1 115 . 5 1 1 A 14 14 GLN CA C 14 57.621 59.188 -1.567 1
1 116 . 5 1 1 A 14 14 GLN CB C 14 28.821 28.359 0.462 1
1 117 . 5 1 1 A 14 14 GLN N N 14 119.118 121.848 -2.730 1
1 118 . 5 1 1 A 15 15 SER H H 15 7.888 7.987 -0.099 1
1 119 . 5 1 1 A 15 15 SER HA H 15 4.485 4.322 0.163 1
1 122 . 5 1 1 A 15 15 SER CA C 15 59.326 61.097 -1.771 1
1 123 . 5 1 1 A 15 15 SER CB C 15 64.123 63.066 1.057 1
1 124 . 5 1 1 A 15 15 SER N N 15 114.275 114.613 -0.338 1
1 125 . 5 1 1 A 16 16 LEU H H 16 7.791 7.905 -0.114 1
1 126 . 5 1 1 A 16 16 LEU HA H 16 4.430 4.240 0.190 1
1 136 . 5 1 1 A 16 16 LEU CA C 16 55.849 55.770 0.079 1
1 137 . 5 1 1 A 16 16 LEU CB C 16 43.036 41.779 1.257 1
1 138 . 5 1 1 A 16 16 LEU N N 16 122.606 121.913 0.693 1
1 139 . 5 1 1 A 17 17 GLN H H 17 8.281 8.179 0.102 1
1 140 . 5 1 1 A 17 17 GLN HA H 17 4.426 4.128 0.298 1
1 145 . 5 1 1 A 17 17 GLN CA C 17 56.500 58.357 -1.857 1
1 146 . 5 1 1 A 17 17 GLN CB C 17 29.338 28.767 0.571 1
1 147 . 5 1 1 A 17 17 GLN N N 17 120.232 118.871 1.361 1
1 148 . 5 1 1 A 18 18 ILE H H 18 7.807 7.816 -0.009 1
1 149 . 5 1 1 A 18 18 ILE HA H 18 4.238 4.246 -0.008 1
1 159 . 5 1 1 A 18 18 ILE CA C 18 61.932 61.647 0.285 1
1 160 . 5 1 1 A 18 18 ILE CB C 18 38.997 38.534 0.463 1
1 161 . 5 1 1 A 18 18 ILE N N 18 118.727 118.801 -0.074 1
1 162 . 5 1 1 A 19 19 GLY H H 19 8.106 7.936 0.170 1
1 163 . 5 1 1 A 19 19 GLY HA2 H 19 4.054 3.754 0.300 1
1 164 . 5 1 1 A 19 19 GLY HA3 H 19 4.054 3.761 0.293 1
1 165 . 5 1 1 A 19 19 GLY CA C 19 46.338 47.333 -0.995 1
1 166 . 5 1 1 A 19 19 GLY N N 19 109.552 110.374 -0.822 1
1 167 . 5 1 1 A 20 20 GLY H H 20 8.305 8.553 -0.248 1
1 168 . 5 1 1 A 20 20 GLY HA2 H 20 3.877 3.853 0.024 1
1 169 . 5 1 1 A 20 20 GLY HA3 H 20 3.877 3.854 0.023 1
1 170 . 5 1 1 A 20 20 GLY CA C 20 47.746 47.032 0.714 1
1 171 . 5 1 1 A 20 20 GLY N N 20 107.332 108.464 -1.132 1
1 172 . 5 1 1 A 21 21 LEU H H 21 8.046 8.041 0.005 1
1 173 . 5 1 1 A 21 21 LEU HA H 21 4.172 3.998 0.174 1
1 183 . 5 1 1 A 21 21 LEU CA C 21 58.140 57.711 0.429 1
1 184 . 5 1 1 A 21 21 LEU CB C 21 41.812 41.967 -0.155 1
1 185 . 5 1 1 A 21 21 LEU N N 21 119.906 122.989 -3.083 1
1 186 . 5 1 1 A 22 22 VAL H H 22 7.716 8.100 -0.384 1
1 187 . 5 1 1 A 22 22 VAL HA H 22 3.691 3.459 0.232 1
1 195 . 5 1 1 A 22 22 VAL CA C 22 66.872 66.837 0.035 1
1 196 . 5 1 1 A 22 22 VAL CB C 22 67.290 31.777 35.513 1
1 197 . 5 1 1 A 22 22 VAL N N 22 117.489 117.477 0.012 1
1 198 . 5 1 1 A 23 23 ILE H H 23 7.707 8.244 -0.537 1
1 199 . 5 1 1 A 23 23 ILE HA H 23 3.679 3.642 0.037 1
1 208 . 5 1 1 A 23 23 ILE CA C 23 65.219 65.977 -0.758 1
1 209 . 5 1 1 A 23 23 ILE CB C 23 39.538 38.331 1.207 1
1 210 . 5 1 1 A 23 23 ILE N N 23 117.900 120.378 -2.478 1
1 211 . 5 1 1 A 24 24 ALA H H 24 8.248 8.793 -0.545 1
1 215 . 5 1 1 A 24 24 ALA CA C 24 55.723 55.328 0.395 1
1 216 . 5 1 1 A 24 24 ALA CB C 24 18.223 18.283 -0.060 1
1 217 . 5 1 1 A 24 24 ALA N N 24 120.166 122.172 -2.006 1
1 218 . 5 1 1 A 25 25 GLY H H 25 8.482 8.185 0.297 1
1 219 . 5 1 1 A 25 25 GLY HA2 H 25 3.781 3.788 -0.007 1
1 220 . 5 1 1 A 25 25 GLY HA3 H 25 3.692 3.799 -0.107 1
1 221 . 5 1 1 A 25 25 GLY CA C 25 47.860 47.376 0.484 1
1 222 . 5 1 1 A 25 25 GLY N N 25 103.943 106.699 -2.756 1
1 223 . 5 1 1 A 26 26 ILE H H 26 8.401 7.864 0.537 1
1 224 . 5 1 1 A 26 26 ILE HA H 26 3.715 3.843 -0.128 1
1 229 . 5 1 1 A 26 26 ILE CA C 26 65.719 64.701 1.018 1
1 230 . 5 1 1 A 26 26 ILE CB C 26 38.043 37.541 0.502 1
1 231 . 5 1 1 A 26 26 ILE N N 26 120.944 122.647 -1.703 1
1 232 . 5 1 1 A 27 27 LEU H H 27 8.303 8.127 0.176 1
1 233 . 5 1 1 A 27 27 LEU HA H 27 4.011 4.053 -0.042 1
1 243 . 5 1 1 A 27 27 LEU CA C 27 58.586 58.342 0.244 1
1 244 . 5 1 1 A 27 27 LEU CB C 27 41.728 41.898 -0.170 1
1 245 . 5 1 1 A 27 27 LEU N N 27 118.806 121.359 -2.553 1
1 246 . 5 1 1 A 28 28 PHE H H 28 8.568 8.047 0.521 1
1 247 . 5 1 1 A 28 28 PHE HA H 28 4.238 4.234 0.004 1
1 252 . 5 1 1 A 28 28 PHE CA C 28 61.596 60.864 0.732 1
1 253 . 5 1 1 A 28 28 PHE CB C 28 39.690 38.467 1.223 1
1 254 . 5 1 1 A 28 28 PHE N N 28 118.499 117.521 0.978 1
1 255 . 5 1 1 A 29 29 ILE H H 29 8.247 8.447 -0.200 1
1 256 . 5 1 1 A 29 29 ILE HA H 29 3.607 3.733 -0.126 1
1 263 . 5 1 1 A 29 29 ILE CA C 29 65.048 64.814 0.234 1
1 264 . 5 1 1 A 29 29 ILE CB C 29 37.293 37.791 -0.498 1
1 265 . 5 1 1 A 29 29 ILE N N 29 117.892 120.354 -2.462 1
1 266 . 5 1 1 A 30 30 LEU H H 30 8.624 8.631 -0.007 1
1 267 . 5 1 1 A 30 30 LEU HA H 30 4.012 4.047 -0.035 1
1 277 . 5 1 1 A 30 30 LEU CA C 30 58.624 57.936 0.688 1
1 278 . 5 1 1 A 30 30 LEU CB C 30 42.011 41.706 0.305 1
1 279 . 5 1 1 A 30 30 LEU N N 30 119.146 121.083 -1.937 1
1 280 . 5 1 1 A 31 31 GLY H H 31 8.754 8.545 0.209 1
1 281 . 5 1 1 A 31 31 GLY HA2 H 31 3.643 3.670 -0.027 1
1 282 . 5 1 1 A 31 31 GLY HA3 H 31 3.643 3.714 -0.071 1
1 283 . 5 1 1 A 31 31 GLY CA C 31 48.068 47.391 0.677 1
1 284 . 5 1 1 A 31 31 GLY N N 31 106.000 107.388 -1.388 1
1 285 . 5 1 1 A 32 32 ILE H H 32 8.303 8.653 -0.350 1
1 286 . 5 1 1 A 32 32 ILE HA H 32 3.622 3.795 -0.173 1
1 296 . 5 1 1 A 32 32 ILE CA C 32 65.126 64.636 0.490 1
1 297 . 5 1 1 A 32 32 ILE CB C 32 39.126 37.662 1.464 1
1 298 . 5 1 1 A 32 32 ILE N N 32 120.840 122.432 -1.592 1
1 299 . 5 1 1 A 33 33 LEU H H 33 8.388 8.070 0.318 1
1 300 . 5 1 1 A 33 33 LEU HA H 33 4.042 4.115 -0.073 1
1 310 . 5 1 1 A 33 33 LEU CA C 33 58.672 58.041 0.631 1
1 311 . 5 1 1 A 33 33 LEU CB C 33 40.359 41.740 -1.381 1
1 312 . 5 1 1 A 33 33 LEU N N 33 119.523 119.432 0.091 1
1 313 . 5 1 1 A 34 34 ILE H H 34 8.703 8.710 -0.007 1
1 314 . 5 1 1 A 34 34 ILE HA H 34 3.685 3.545 0.140 1
1 319 . 5 1 1 A 34 34 ILE CA C 34 66.120 65.387 0.733 1
1 320 . 5 1 1 A 34 34 ILE CB C 34 37.627 37.697 -0.070 1
1 321 . 5 1 1 A 34 34 ILE N N 34 120.906 120.016 0.890 1
1 322 . 5 1 1 A 35 35 VAL H H 35 8.359 8.072 0.287 1
1 323 . 5 1 1 A 35 35 VAL HA H 35 3.690 3.572 0.118 1
1 331 . 5 1 1 A 35 35 VAL CA C 35 67.546 66.741 0.805 1
1 332 . 5 1 1 A 35 35 VAL CB C 35 31.619 31.787 -0.168 1
1 333 . 5 1 1 A 35 35 VAL N N 35 120.794 119.199 1.595 1
1 334 . 5 1 1 A 36 36 LEU H H 36 9.002 8.080 0.922 1
1 335 . 5 1 1 A 36 36 LEU HA H 36 4.095 4.055 0.040 1
1 345 . 5 1 1 A 36 36 LEU CA C 36 58.589 57.847 0.742 1
1 346 . 5 1 1 A 36 36 LEU CB C 36 42.017 40.859 1.158 1
1 347 . 5 1 1 A 36 36 LEU N N 36 119.433 117.894 1.539 1
1 348 . 5 1 1 A 37 37 SER H H 37 8.585 8.277 0.308 1
1 349 . 5 1 1 A 37 37 SER HA H 37 4.632 4.100 0.532 1
1 352 . 5 1 1 A 37 37 SER CA C 37 62.896 62.042 0.854 1
1 353 . 5 1 1 A 37 37 SER CB C 37 63.973 62.745 1.228 1
1 354 . 5 1 1 A 37 37 SER N N 37 115.400 114.288 1.112 1
1 355 . 5 1 1 A 38 38 ARG H H 38 8.180 7.854 0.326 1
1 356 . 5 1 1 A 38 38 ARG HA H 38 4.218 4.112 0.106 1
1 363 . 5 1 1 A 38 38 ARG CA C 38 59.259 59.239 0.020 1
1 364 . 5 1 1 A 38 38 ARG CB C 38 30.751 29.966 0.785 1
1 365 . 5 1 1 A 38 38 ARG N N 38 121.516 122.308 -0.792 1
1 366 . 5 1 1 A 39 39 ARG H H 39 8.362 7.500 0.862 1
1 367 . 5 1 1 A 39 39 ARG HA H 39 4.373 4.074 0.299 1
1 374 . 5 1 1 A 39 39 ARG CA C 39 58.095 59.010 -0.915 1
1 375 . 5 1 1 A 39 39 ARG CB C 39 30.581 30.147 0.434 1
1 376 . 5 1 1 A 39 39 ARG N N 39 117.803 119.718 -1.915 1
1 377 . 5 1 1 A 40 40 CYS H H 40 8.423 7.937 0.486 1
1 378 . 5 1 1 A 40 40 CYS HA H 40 4.447 4.050 0.397 1
1 381 . 5 1 1 A 40 40 CYS CA C 40 61.514 63.031 -1.517 1
1 382 . 5 1 1 A 40 40 CYS CB C 40 28.091 26.312 1.779 1
1 383 . 5 1 1 A 40 40 CYS N N 40 116.351 119.093 -2.742 1
1 384 . 5 1 1 A 41 41 ARG H H 41 8.095 8.324 -0.229 1
1 385 . 5 1 1 A 41 41 ARG HA H 41 4.204 4.066 0.138 1
1 392 . 5 1 1 A 41 41 ARG CA C 41 58.876 59.375 -0.499 1
1 393 . 5 1 1 A 41 41 ARG CB C 41 30.227 30.134 0.093 1
1 394 . 5 1 1 A 41 41 ARG N N 41 119.841 120.149 -0.308 1
1 395 . 5 1 1 A 42 42 CYS H H 42 8.061 7.731 0.330 1
1 396 . 5 1 1 A 42 42 CYS HA H 42 4.435 4.652 -0.217 1
1 399 . 5 1 1 A 42 42 CYS CA C 42 60.508 62.408 -1.900 1
1 400 . 5 1 1 A 42 42 CYS CB C 42 27.409 27.286 0.123 1
1 401 . 5 1 1 A 42 42 CYS N N 42 116.220 117.239 -1.019 1
1 402 . 5 1 1 A 43 43 LYS H H 43 7.936 8.336 -0.400 1
1 403 . 5 1 1 A 43 43 LYS HA H 43 4.244 4.072 0.172 1
1 408 . 5 1 1 A 43 43 LYS CA C 43 57.480 59.018 -1.538 1
1 409 . 5 1 1 A 43 43 LYS CB C 43 32.888 31.906 0.982 1
1 410 . 5 1 1 A 43 43 LYS N N 43 120.337 121.155 -0.818 1
1 411 . 5 1 1 A 44 44 PHE H H 44 7.966 8.631 -0.665 1
1 412 . 5 1 1 A 44 44 PHE HA H 44 4.664 4.059 0.605 1
1 417 . 5 1 1 A 44 44 PHE CA C 44 58.606 61.223 -2.617 1
1 418 . 5 1 1 A 44 44 PHE CB C 44 39.452 39.103 0.349 1
1 419 . 5 1 1 A 44 44 PHE N N 44 118.202 121.016 -2.814 1
1 420 . 5 1 1 A 45 45 ASN H H 45 8.147 8.179 -0.032 1
1 421 . 5 1 1 A 45 45 ASN HA H 45 4.771 4.048 0.723 1
1 426 . 5 1 1 A 45 45 ASN CA C 45 53.951 52.215 1.736 1
1 427 . 5 1 1 A 45 45 ASN CB C 45 39.301 37.384 1.917 1
1 428 . 5 1 1 A 45 45 ASN N N 45 118.296 114.227 4.069 1
1 430 . 5 1 1 A 46 46 GLN H H 46 8.209 7.863 0.346 1
1 431 . 5 1 1 A 46 46 GLN HA H 46 4.344 3.987 0.357 1
1 436 . 5 1 1 A 46 46 GLN CA C 46 56.832 58.868 -2.036 1
1 437 . 5 1 1 A 46 46 GLN CB C 46 29.314 28.244 1.070 1
1 438 . 5 1 1 A 46 46 GLN N N 46 119.469 123.434 -3.965 1
1 439 . 5 1 1 A 47 47 GLN H H 47 8.221 7.850 0.371 1
1 440 . 5 1 1 A 47 47 GLN CA C 47 56.832 59.053 -2.221 1
1 441 . 5 1 1 A 47 47 GLN CB C 47 29.314 28.560 0.754 1
1 442 . 5 1 1 A 47 47 GLN N N 47 119.452 118.698 0.754 1
1 443 . 5 1 1 A 48 48 GLN H H 48 8.058 7.725 0.333 1
1 444 . 5 1 1 A 48 48 GLN HA H 48 4.394 4.244 0.150 1
1 449 . 5 1 1 A 48 48 GLN CA C 48 56.600 57.822 -1.222 1
1 450 . 5 1 1 A 48 48 GLN CB C 48 29.578 29.151 0.427 1
1 451 . 5 1 1 A 48 48 GLN N N 48 119.642 117.733 1.909 1
1 452 . 5 1 1 A 49 49 ARG H H 49 8.255 7.595 0.660 1
1 453 . 5 1 1 A 49 49 ARG HA H 49 4.475 4.785 -0.310 1
1 460 . 5 1 1 A 49 49 ARG CA C 49 56.569 55.471 1.098 1
1 461 . 5 1 1 A 49 49 ARG CB C 49 30.919 33.565 -2.646 1
1 462 . 5 1 1 A 49 49 ARG N N 49 121.599 118.359 3.240 1
1 463 . 5 1 1 A 50 50 THR H H 50 8.113 8.657 -0.544 1
1 464 . 5 1 1 A 50 50 THR HA H 50 4.438 5.016 -0.578 1
1 469 . 5 1 1 A 50 50 THR CA C 50 62.130 60.215 1.915 1
1 470 . 5 1 1 A 50 50 THR CB C 50 70.380 70.849 -0.469 1
1 471 . 5 1 1 A 50 50 THR N N 50 113.660 116.555 -2.895 1
1 472 . 5 1 1 A 51 51 GLY H H 51 8.296 8.384 -0.088 1
1 473 . 5 1 1 A 51 51 GLY HA2 H 51 4.060 4.222 -0.162 1
1 474 . 5 1 1 A 51 51 GLY HA3 H 51 4.060 4.223 -0.163 1
1 475 . 5 1 1 A 51 51 GLY CA C 51 45.374 46.286 -0.912 1
1 476 . 5 1 1 A 51 51 GLY N N 51 110.876 109.031 1.845 1
1 477 . 5 1 1 A 52 52 GLU H H 52 8.153 8.514 -0.361 1
1 478 . 5 1 1 A 52 52 GLU HA H 52 4.729 4.599 0.130 1
1 483 . 5 1 1 A 52 52 GLU CA C 52 54.072 54.918 -0.846 1
1 484 . 5 1 1 A 52 52 GLU CB C 52 29.347 28.786 0.561 1
1 485 . 5 1 1 A 52 52 GLU N N 52 120.834 122.971 -2.137 1
1 486 . 5 1 1 A 53 53 PRO HA H 53 4.495 4.547 -0.052 1
1 493 . 5 1 1 A 53 53 PRO CA C 53 63.749 62.759 0.990 1
1 494 . 5 1 1 A 53 53 PRO CB C 53 32.309 32.468 -0.159 1
1 495 . 5 1 1 A 54 54 ASP H H 54 8.402 8.608 -0.206 1
1 496 . 5 1 1 A 54 54 ASP HA H 54 4.677 4.846 -0.169 1
1 499 . 5 1 1 A 54 54 ASP CA C 54 54.210 53.805 0.405 1
1 500 . 5 1 1 A 54 54 ASP CB C 54 40.375 41.485 -1.110 1
1 501 . 5 1 1 A 54 54 ASP N N 54 119.287 122.493 -3.206 1
1 502 . 5 1 1 A 55 55 GLU H H 55 8.249 8.633 -0.384 1
1 503 . 5 1 1 A 55 55 GLU HA H 55 4.650 4.852 -0.202 1
1 508 . 5 1 1 A 55 55 GLU CA C 55 56.397 54.487 1.910 1
1 509 . 5 1 1 A 55 55 GLU CB C 55 29.461 31.132 -1.671 1
1 510 . 5 1 1 A 55 55 GLU N N 55 120.671 123.702 -3.031 1
1 511 . 5 1 1 A 56 56 GLU H H 56 8.257 8.517 -0.260 1
1 512 . 5 1 1 A 56 56 GLU HA H 56 4.396 4.241 0.155 1
1 517 . 5 1 1 A 56 56 GLU CA C 56 56.414 57.522 -1.108 1
1 518 . 5 1 1 A 56 56 GLU CB C 56 29.461 29.945 -0.484 1
1 519 . 5 1 1 A 56 56 GLU N N 56 119.852 120.223 -0.371 1
1 520 . 5 1 1 A 57 57 GLU H H 57 8.311 8.676 -0.365 1
1 521 . 5 1 1 A 57 57 GLU HA H 57 4.453 4.500 -0.047 1
1 526 . 5 1 1 A 57 57 GLU CA C 57 56.350 56.832 -0.482 1
1 527 . 5 1 1 A 57 57 GLU CB C 57 29.959 29.895 0.064 1
1 528 . 5 1 1 A 57 57 GLU N N 57 121.046 122.597 -1.551 1
1 529 . 5 1 1 A 58 58 GLY H H 58 8.407 8.915 -0.508 1
1 530 . 5 1 1 A 58 58 GLY HA2 H 58 4.190 3.908 0.282 1
1 531 . 5 1 1 A 58 58 GLY HA3 H 58 4.190 3.956 0.234 1
1 532 . 5 1 1 A 58 58 GLY CA C 58 45.841 45.924 -0.083 1
1 533 . 5 1 1 A 58 58 GLY N N 58 109.873 113.005 -3.132 1
1 534 . 5 1 1 A 59 59 THR H H 59 8.141 7.321 0.820 1
1 535 . 5 1 1 A 59 59 THR HA H 59 4.348 3.955 0.393 1
1 540 . 5 1 1 A 59 59 THR CA C 59 63.622 63.469 0.153 1
1 541 . 5 1 1 A 59 59 THR CB C 59 70.393 67.591 2.802 1
1 542 . 5 1 1 A 59 59 THR N N 59 114.486 115.820 -1.334 1
1 543 . 5 1 1 A 60 60 PHE H H 60 8.651 7.958 0.693 1
1 544 . 5 1 1 A 60 60 PHE HA H 60 4.439 4.014 0.425 1
1 549 . 5 1 1 A 60 60 PHE CA C 60 61.359 61.343 0.016 1
1 550 . 5 1 1 A 60 60 PHE CB C 60 38.960 39.039 -0.079 1
1 551 . 5 1 1 A 60 60 PHE N N 60 123.173 121.966 1.207 1
1 552 . 5 1 1 A 61 61 ARG H H 61 8.247 7.802 0.445 1
1 553 . 5 1 1 A 61 61 ARG HA H 61 3.932 4.024 -0.092 1
1 560 . 5 1 1 A 61 61 ARG CA C 61 59.472 60.160 -0.688 1
1 561 . 5 1 1 A 61 61 ARG CB C 61 30.162 29.874 0.288 1
1 562 . 5 1 1 A 61 61 ARG N N 61 118.197 118.894 -0.697 1
1 563 . 5 1 1 A 62 62 SER H H 62 8.098 8.233 -0.135 1
1 564 . 5 1 1 A 62 62 SER HA H 62 4.313 4.201 0.112 1
1 567 . 5 1 1 A 62 62 SER CA C 62 61.112 61.425 -0.313 1
1 568 . 5 1 1 A 62 62 SER CB C 62 63.426 62.294 1.132 1
1 569 . 5 1 1 A 62 62 SER N N 62 113.309 115.426 -2.117 1
1 570 . 5 1 1 A 63 63 SER H H 63 8.050 7.806 0.244 1
1 571 . 5 1 1 A 63 63 SER HA H 63 4.361 4.064 0.297 1
1 574 . 5 1 1 A 63 63 SER CA C 63 61.816 61.363 0.453 1
1 575 . 5 1 1 A 63 63 SER CB C 63 64.359 62.381 1.978 1
1 576 . 5 1 1 A 63 63 SER N N 63 118.744 116.173 2.571 1
1 577 . 5 1 1 A 64 64 ILE H H 64 7.813 7.289 0.524 1
1 578 . 5 1 1 A 64 64 ILE HA H 64 3.936 3.690 0.246 1
1 588 . 5 1 1 A 64 64 ILE CA C 64 63.557 64.474 -0.917 1
1 589 . 5 1 1 A 64 64 ILE CB C 64 37.482 37.196 0.286 1
1 590 . 5 1 1 A 64 64 ILE N N 64 120.616 118.993 1.623 1
1 591 . 5 1 1 A 65 65 ARG H H 65 7.863 8.048 -0.185 1
1 592 . 5 1 1 A 65 65 ARG HA H 65 4.207 3.886 0.321 1
1 600 . 5 1 1 A 65 65 ARG CA C 65 58.617 59.754 -1.137 1
1 601 . 5 1 1 A 65 65 ARG CB C 65 30.088 29.840 0.248 1
1 602 . 5 1 1 A 65 65 ARG N N 65 120.278 120.684 -0.406 1
1 603 . 5 1 1 A 66 66 ARG H H 66 7.934 7.807 0.127 1
1 604 . 5 1 1 A 66 66 ARG HA H 66 4.251 4.065 0.186 1
1 611 . 5 1 1 A 66 66 ARG CA C 66 58.512 58.984 -0.472 1
1 612 . 5 1 1 A 66 66 ARG CB C 66 30.618 29.772 0.846 1
1 613 . 5 1 1 A 66 66 ARG N N 66 119.070 119.568 -0.498 1
1 614 . 5 1 1 A 67 67 LEU H H 67 8.014 8.438 -0.424 1
1 615 . 5 1 1 A 67 67 LEU HA H 67 4.259 4.045 0.214 1
1 625 . 5 1 1 A 67 67 LEU CA C 67 57.012 57.502 -0.490 1
1 626 . 5 1 1 A 67 67 LEU CB C 67 42.398 41.095 1.303 1
1 627 . 5 1 1 A 67 67 LEU N N 67 119.999 119.360 0.639 1
1 628 . 5 1 1 A 68 68 SER H H 68 8.091 8.570 -0.479 1
1 629 . 5 1 1 A 68 68 SER HA H 68 4.352 4.230 0.122 1
1 632 . 5 1 1 A 68 68 SER CA C 68 60.421 62.337 -1.916 1
1 633 . 5 1 1 A 68 68 SER CB C 68 63.997 63.242 0.755 1
1 634 . 5 1 1 A 68 68 SER N N 68 113.037 116.270 -3.233 1
1 635 . 5 1 1 A 69 69 THR H H 69 7.765 7.684 0.081 1
1 640 . 5 1 1 A 69 69 THR CA C 69 63.075 63.466 -0.391 1
1 641 . 5 1 1 A 69 69 THR CB C 69 69.994 69.602 0.392 1
1 642 . 5 1 1 A 69 69 THR N N 69 113.132 112.319 0.813 1
1 643 . 5 1 1 A 70 70 ARG H H 70 7.915 9.030 -1.115 1
1 644 . 5 1 1 A 70 70 ARG HA H 70 4.402 4.133 0.269 1
1 651 . 5 1 1 A 70 70 ARG CA C 70 57.068 58.248 -1.180 1
1 652 . 5 1 1 A 70 70 ARG CB C 70 30.778 29.913 0.865 1
1 653 . 5 1 1 A 70 70 ARG N N 70 121.113 120.082 1.031 1
1 654 . 5 1 1 A 71 71 ARG H H 71 7.891 7.758 0.133 1
1 655 . 5 1 1 A 71 71 ARG HA H 71 4.421 4.569 -0.148 1
1 662 . 5 1 1 A 71 71 ARG CA C 71 56.407 55.691 0.716 1
1 663 . 5 1 1 A 71 71 ARG CB C 71 31.156 33.427 -2.271 1
1 664 . 5 1 1 A 71 71 ARG N N 71 118.899 118.977 -0.078 1
1 8 . 6 1 1 A 2 2 SER H H 2 8.707 8.015 0.692 1
1 9 . 6 1 1 A 2 2 SER HA H 2 4.638 4.110 0.528 1
1 12 . 6 1 1 A 2 2 SER CA C 2 56.699 58.939 -2.240 1
1 13 . 6 1 1 A 2 2 SER CB C 2 63.978 61.433 2.545 1
1 14 . 6 1 1 A 2 2 SER N N 2 118.975 113.722 5.253 1
1 15 . 6 1 1 A 3 3 PRO HA H 3 4.533 4.409 0.124 1
1 22 . 6 1 1 A 3 3 PRO CA C 3 64.301 64.085 0.216 1
1 23 . 6 1 1 A 3 3 PRO CB C 3 32.998 31.708 1.290 1
1 24 . 6 1 1 A 4 4 LYS H H 4 8.117 8.346 -0.229 1
1 25 . 6 1 1 A 4 4 LYS HA H 4 4.314 3.975 0.339 1
1 32 . 6 1 1 A 4 4 LYS CA C 4 56.918 58.277 -1.359 1
1 33 . 6 1 1 A 4 4 LYS CB C 4 33.010 32.011 0.999 1
1 34 . 6 1 1 A 4 4 LYS N N 4 118.277 117.318 0.959 1
1 35 . 6 1 1 A 5 5 GLU HA H 5 4.302 4.137 0.165 1
1 40 . 6 1 1 A 5 5 GLU CA C 5 56.505 59.196 -2.691 1
1 41 . 6 1 1 A 5 5 GLU CB C 5 38.736 29.578 9.158 1
1 42 . 6 1 1 A 6 6 HIS H H 6 8.075 7.019 1.056 1
1 43 . 6 1 1 A 6 6 HIS HA H 6 4.352 4.855 -0.503 1
1 47 . 6 1 1 A 6 6 HIS CA C 6 55.000 53.900 1.100 1
1 48 . 6 1 1 A 6 6 HIS CB C 6 29.504 31.631 -2.127 1
1 49 . 6 1 1 A 6 6 HIS N N 6 117.435 116.496 0.939 1
1 50 . 6 1 1 A 7 7 ASP H H 7 8.249 9.117 -0.868 1
1 51 . 6 1 1 A 7 7 ASP HA H 7 4.796 4.681 0.115 1
1 54 . 6 1 1 A 7 7 ASP CA C 7 51.877 58.541 -6.664 1
1 55 . 6 1 1 A 7 7 ASP CB C 7 39.384 41.272 -1.888 1
1 56 . 6 1 1 A 7 7 ASP N N 7 120.163 121.453 -1.290 1
1 57 . 6 1 1 A 8 8 PRO HA H 8 4.458 4.442 0.016 1
1 64 . 6 1 1 A 8 8 PRO CA C 8 63.863 65.850 -1.987 1
1 65 . 6 1 1 A 8 8 PRO CB C 8 32.512 30.733 1.779 1
1 66 . 6 1 1 A 9 9 PHE H H 9 7.959 7.941 0.018 1
1 67 . 6 1 1 A 9 9 PHE HA H 9 4.783 4.181 0.602 1
1 72 . 6 1 1 A 9 9 PHE CA C 9 58.261 61.553 -3.292 1
1 73 . 6 1 1 A 9 9 PHE CB C 9 39.190 38.716 0.474 1
1 74 . 6 1 1 A 9 9 PHE N N 9 118.640 118.654 -0.014 1
1 75 . 6 1 1 A 10 10 THR H H 10 7.897 8.018 -0.121 1
1 76 . 6 1 1 A 10 10 THR HA H 10 4.440 4.106 0.334 1
1 81 . 6 1 1 A 10 10 THR CA C 10 62.056 66.381 -4.325 1
1 82 . 6 1 1 A 10 10 THR CB C 10 70.112 68.555 1.557 1
1 83 . 6 1 1 A 10 10 THR N N 10 112.714 112.910 -0.196 1
1 84 . 6 1 1 A 11 11 TYR H H 11 7.615 8.061 -0.446 1
1 85 . 6 1 1 A 11 11 TYR HA H 11 4.471 5.175 -0.704 1
1 90 . 6 1 1 A 11 11 TYR CA C 11 58.365 56.642 1.723 1
1 91 . 6 1 1 A 11 11 TYR CB C 11 70.116 41.159 28.957 1
1 92 . 6 1 1 A 11 11 TYR N N 11 122.022 117.372 4.650 1
1 93 . 6 1 1 A 12 12 ASP H H 12 7.954 9.201 -1.247 1
1 94 . 6 1 1 A 12 12 ASP HA H 12 4.800 4.597 0.203 1
1 97 . 6 1 1 A 12 12 ASP CA C 12 53.013 54.448 -1.435 1
1 98 . 6 1 1 A 12 12 ASP CB C 12 39.384 40.647 -1.263 1
1 99 . 6 1 1 A 12 12 ASP N N 12 121.560 124.695 -3.135 1
1 100 . 6 1 1 A 13 13 TYR H H 13 7.949 8.027 -0.078 1
1 101 . 6 1 1 A 13 13 TYR HA H 13 4.435 4.654 -0.219 1
1 106 . 6 1 1 A 13 13 TYR CA C 13 59.555 58.510 1.045 1
1 107 . 6 1 1 A 13 13 TYR CB C 13 39.589 37.796 1.793 1
1 108 . 6 1 1 A 13 13 TYR N N 13 121.914 118.925 2.989 1
1 109 . 6 1 1 A 14 14 GLN H H 14 8.173 8.010 0.163 1
1 110 . 6 1 1 A 14 14 GLN HA H 14 4.222 4.009 0.213 1
1 115 . 6 1 1 A 14 14 GLN CA C 14 57.621 59.136 -1.515 1
1 116 . 6 1 1 A 14 14 GLN CB C 14 28.821 28.280 0.541 1
1 117 . 6 1 1 A 14 14 GLN N N 14 119.118 121.559 -2.441 1
1 118 . 6 1 1 A 15 15 SER H H 15 7.888 8.328 -0.440 1
1 119 . 6 1 1 A 15 15 SER HA H 15 4.485 4.298 0.187 1
1 122 . 6 1 1 A 15 15 SER CA C 15 59.326 61.398 -2.072 1
1 123 . 6 1 1 A 15 15 SER CB C 15 64.123 62.813 1.310 1
1 124 . 6 1 1 A 15 15 SER N N 15 114.275 114.821 -0.546 1
1 125 . 6 1 1 A 16 16 LEU H H 16 7.791 8.215 -0.424 1
1 126 . 6 1 1 A 16 16 LEU HA H 16 4.430 4.273 0.157 1
1 136 . 6 1 1 A 16 16 LEU CA C 16 55.849 56.281 -0.432 1
1 137 . 6 1 1 A 16 16 LEU CB C 16 43.036 42.227 0.809 1
1 138 . 6 1 1 A 16 16 LEU N N 16 122.606 123.871 -1.265 1
1 139 . 6 1 1 A 17 17 GLN H H 17 8.281 7.915 0.366 1
1 140 . 6 1 1 A 17 17 GLN HA H 17 4.426 4.113 0.313 1
1 145 . 6 1 1 A 17 17 GLN CA C 17 56.500 58.303 -1.803 1
1 146 . 6 1 1 A 17 17 GLN CB C 17 29.338 28.854 0.484 1
1 147 . 6 1 1 A 17 17 GLN N N 17 120.232 118.642 1.590 1
1 148 . 6 1 1 A 18 18 ILE H H 18 7.807 7.815 -0.008 1
1 149 . 6 1 1 A 18 18 ILE HA H 18 4.238 4.296 -0.058 1
1 159 . 6 1 1 A 18 18 ILE CA C 18 61.932 60.764 1.168 1
1 160 . 6 1 1 A 18 18 ILE CB C 18 38.997 38.709 0.288 1
1 161 . 6 1 1 A 18 18 ILE N N 18 118.727 119.691 -0.964 1
1 162 . 6 1 1 A 19 19 GLY H H 19 8.106 8.357 -0.251 1
1 163 . 6 1 1 A 19 19 GLY HA2 H 19 4.054 3.719 0.335 1
1 164 . 6 1 1 A 19 19 GLY HA3 H 19 4.054 3.723 0.331 1
1 165 . 6 1 1 A 19 19 GLY CA C 19 46.338 47.209 -0.871 1
1 166 . 6 1 1 A 19 19 GLY N N 19 109.552 110.746 -1.194 1
1 167 . 6 1 1 A 20 20 GLY H H 20 8.305 8.545 -0.240 1
1 168 . 6 1 1 A 20 20 GLY HA2 H 20 3.877 3.852 0.025 1
1 169 . 6 1 1 A 20 20 GLY HA3 H 20 3.877 3.857 0.020 1
1 170 . 6 1 1 A 20 20 GLY CA C 20 47.746 46.978 0.768 1
1 171 . 6 1 1 A 20 20 GLY N N 20 107.332 107.921 -0.589 1
1 172 . 6 1 1 A 21 21 LEU H H 21 8.046 8.026 0.020 1
1 173 . 6 1 1 A 21 21 LEU HA H 21 4.172 4.014 0.158 1
1 183 . 6 1 1 A 21 21 LEU CA C 21 58.140 57.682 0.458 1
1 184 . 6 1 1 A 21 21 LEU CB C 21 41.812 41.812 0.000 1
1 185 . 6 1 1 A 21 21 LEU N N 21 119.906 122.925 -3.019 1
1 186 . 6 1 1 A 22 22 VAL H H 22 7.716 8.014 -0.298 1
1 187 . 6 1 1 A 22 22 VAL HA H 22 3.691 3.447 0.244 1
1 195 . 6 1 1 A 22 22 VAL CA C 22 66.872 66.913 -0.041 1
1 196 . 6 1 1 A 22 22 VAL CB C 22 67.290 31.753 35.537 1
1 197 . 6 1 1 A 22 22 VAL N N 22 117.489 117.270 0.219 1
1 198 . 6 1 1 A 23 23 ILE H H 23 7.707 7.805 -0.098 1
1 199 . 6 1 1 A 23 23 ILE HA H 23 3.679 3.833 -0.154 1
1 208 . 6 1 1 A 23 23 ILE CA C 23 65.219 64.462 0.757 1
1 209 . 6 1 1 A 23 23 ILE CB C 23 39.538 37.741 1.797 1
1 210 . 6 1 1 A 23 23 ILE N N 23 117.900 117.690 0.210 1
1 211 . 6 1 1 A 24 24 ALA H H 24 8.248 8.233 0.015 1
1 215 . 6 1 1 A 24 24 ALA CA C 24 55.723 55.346 0.377 1
1 216 . 6 1 1 A 24 24 ALA CB C 24 18.223 18.634 -0.411 1
1 217 . 6 1 1 A 24 24 ALA N N 24 120.166 124.584 -4.418 1
1 218 . 6 1 1 A 25 25 GLY H H 25 8.482 8.044 0.438 1
1 219 . 6 1 1 A 25 25 GLY HA2 H 25 3.781 3.806 -0.025 1
1 220 . 6 1 1 A 25 25 GLY HA3 H 25 3.692 3.808 -0.116 1
1 221 . 6 1 1 A 25 25 GLY CA C 25 47.860 47.467 0.393 1
1 222 . 6 1 1 A 25 25 GLY N N 25 103.943 105.377 -1.434 1
1 223 . 6 1 1 A 26 26 ILE H H 26 8.401 7.915 0.486 1
1 224 . 6 1 1 A 26 26 ILE HA H 26 3.715 3.840 -0.125 1
1 229 . 6 1 1 A 26 26 ILE CA C 26 65.719 64.710 1.009 1
1 230 . 6 1 1 A 26 26 ILE CB C 26 38.043 37.730 0.313 1
1 231 . 6 1 1 A 26 26 ILE N N 26 120.944 122.653 -1.709 1
1 232 . 6 1 1 A 27 27 LEU H H 27 8.303 7.891 0.412 1
1 233 . 6 1 1 A 27 27 LEU HA H 27 4.011 3.998 0.013 1
1 243 . 6 1 1 A 27 27 LEU CA C 27 58.586 58.482 0.104 1
1 244 . 6 1 1 A 27 27 LEU CB C 27 41.728 41.792 -0.064 1
1 245 . 6 1 1 A 27 27 LEU N N 27 118.806 121.174 -2.368 1
1 246 . 6 1 1 A 28 28 PHE H H 28 8.568 7.824 0.744 1
1 247 . 6 1 1 A 28 28 PHE HA H 28 4.238 4.230 0.008 1
1 252 . 6 1 1 A 28 28 PHE CA C 28 61.596 61.124 0.472 1
1 253 . 6 1 1 A 28 28 PHE CB C 28 39.690 38.597 1.093 1
1 254 . 6 1 1 A 28 28 PHE N N 28 118.499 117.130 1.369 1
1 255 . 6 1 1 A 29 29 ILE H H 29 8.247 8.845 -0.598 1
1 256 . 6 1 1 A 29 29 ILE HA H 29 3.607 3.666 -0.059 1
1 263 . 6 1 1 A 29 29 ILE CA C 29 65.048 65.585 -0.537 1
1 264 . 6 1 1 A 29 29 ILE CB C 29 37.293 37.926 -0.633 1
1 265 . 6 1 1 A 29 29 ILE N N 29 117.892 120.190 -2.298 1
1 266 . 6 1 1 A 30 30 LEU H H 30 8.624 8.776 -0.152 1
1 267 . 6 1 1 A 30 30 LEU HA H 30 4.012 3.977 0.035 1
1 277 . 6 1 1 A 30 30 LEU CA C 30 58.624 57.731 0.893 1
1 278 . 6 1 1 A 30 30 LEU CB C 30 42.011 41.673 0.338 1
1 279 . 6 1 1 A 30 30 LEU N N 30 119.146 121.642 -2.496 1
1 280 . 6 1 1 A 31 31 GLY H H 31 8.754 8.305 0.449 1
1 281 . 6 1 1 A 31 31 GLY HA2 H 31 3.643 3.665 -0.022 1
1 282 . 6 1 1 A 31 31 GLY HA3 H 31 3.643 3.706 -0.063 1
1 283 . 6 1 1 A 31 31 GLY CA C 31 48.068 47.385 0.683 1
1 284 . 6 1 1 A 31 31 GLY N N 31 106.000 106.727 -0.727 1
1 285 . 6 1 1 A 32 32 ILE H H 32 8.303 8.653 -0.350 1
1 286 . 6 1 1 A 32 32 ILE HA H 32 3.622 3.804 -0.182 1
1 296 . 6 1 1 A 32 32 ILE CA C 32 65.126 64.621 0.505 1
1 297 . 6 1 1 A 32 32 ILE CB C 32 39.126 37.993 1.133 1
1 298 . 6 1 1 A 32 32 ILE N N 32 120.840 122.434 -1.594 1
1 299 . 6 1 1 A 33 33 LEU H H 33 8.388 8.026 0.362 1
1 300 . 6 1 1 A 33 33 LEU HA H 33 4.042 4.025 0.017 1
1 310 . 6 1 1 A 33 33 LEU CA C 33 58.672 58.119 0.553 1
1 311 . 6 1 1 A 33 33 LEU CB C 33 40.359 41.461 -1.102 1
1 312 . 6 1 1 A 33 33 LEU N N 33 119.523 119.248 0.275 1
1 313 . 6 1 1 A 34 34 ILE H H 34 8.703 8.670 0.033 1
1 314 . 6 1 1 A 34 34 ILE HA H 34 3.685 3.558 0.127 1
1 319 . 6 1 1 A 34 34 ILE CA C 34 66.120 65.427 0.693 1
1 320 . 6 1 1 A 34 34 ILE CB C 34 37.627 37.735 -0.108 1
1 321 . 6 1 1 A 34 34 ILE N N 34 120.906 119.684 1.222 1
1 322 . 6 1 1 A 35 35 VAL H H 35 8.359 8.105 0.254 1
1 323 . 6 1 1 A 35 35 VAL HA H 35 3.690 3.621 0.069 1
1 331 . 6 1 1 A 35 35 VAL CA C 35 67.546 66.738 0.808 1
1 332 . 6 1 1 A 35 35 VAL CB C 35 31.619 31.802 -0.183 1
1 333 . 6 1 1 A 35 35 VAL N N 35 120.794 119.222 1.572 1
1 334 . 6 1 1 A 36 36 LEU H H 36 9.002 8.167 0.835 1
1 335 . 6 1 1 A 36 36 LEU HA H 36 4.095 4.042 0.053 1
1 345 . 6 1 1 A 36 36 LEU CA C 36 58.589 57.805 0.784 1
1 346 . 6 1 1 A 36 36 LEU CB C 36 42.017 40.907 1.110 1
1 347 . 6 1 1 A 36 36 LEU N N 36 119.433 118.035 1.398 1
1 348 . 6 1 1 A 37 37 SER H H 37 8.585 8.136 0.449 1
1 349 . 6 1 1 A 37 37 SER HA H 37 4.632 4.133 0.499 1
1 352 . 6 1 1 A 37 37 SER CA C 37 62.896 62.091 0.805 1
1 353 . 6 1 1 A 37 37 SER CB C 37 63.973 62.752 1.221 1
1 354 . 6 1 1 A 37 37 SER N N 37 115.400 114.373 1.027 1
1 355 . 6 1 1 A 38 38 ARG H H 38 8.180 7.867 0.313 1
1 356 . 6 1 1 A 38 38 ARG HA H 38 4.218 4.032 0.186 1
1 363 . 6 1 1 A 38 38 ARG CA C 38 59.259 59.114 0.145 1
1 364 . 6 1 1 A 38 38 ARG CB C 38 30.751 29.969 0.782 1
1 365 . 6 1 1 A 38 38 ARG N N 38 121.516 121.690 -0.174 1
1 366 . 6 1 1 A 39 39 ARG H H 39 8.362 7.847 0.515 1
1 367 . 6 1 1 A 39 39 ARG HA H 39 4.373 4.043 0.330 1
1 374 . 6 1 1 A 39 39 ARG CA C 39 58.095 58.995 -0.900 1
1 375 . 6 1 1 A 39 39 ARG CB C 39 30.581 30.032 0.549 1
1 376 . 6 1 1 A 39 39 ARG N N 39 117.803 119.564 -1.761 1
1 377 . 6 1 1 A 40 40 CYS H H 40 8.423 8.155 0.268 1
1 378 . 6 1 1 A 40 40 CYS HA H 40 4.447 4.139 0.308 1
1 381 . 6 1 1 A 40 40 CYS CA C 40 61.514 63.747 -2.233 1
1 382 . 6 1 1 A 40 40 CYS CB C 40 28.091 26.590 1.501 1
1 383 . 6 1 1 A 40 40 CYS N N 40 116.351 118.389 -2.038 1
1 384 . 6 1 1 A 41 41 ARG H H 41 8.095 8.169 -0.074 1
1 385 . 6 1 1 A 41 41 ARG HA H 41 4.204 4.398 -0.194 1
1 392 . 6 1 1 A 41 41 ARG CA C 41 58.876 59.225 -0.349 1
1 393 . 6 1 1 A 41 41 ARG CB C 41 30.227 29.925 0.302 1
1 394 . 6 1 1 A 41 41 ARG N N 41 119.841 121.081 -1.240 1
1 395 . 6 1 1 A 42 42 CYS H H 42 8.061 8.304 -0.243 1
1 396 . 6 1 1 A 42 42 CYS HA H 42 4.435 4.265 0.170 1
1 399 . 6 1 1 A 42 42 CYS CA C 42 60.508 63.714 -3.206 1
1 400 . 6 1 1 A 42 42 CYS CB C 42 27.409 27.091 0.318 1
1 401 . 6 1 1 A 42 42 CYS N N 42 116.220 117.890 -1.670 1
1 402 . 6 1 1 A 43 43 LYS H H 43 7.936 8.209 -0.273 1
1 403 . 6 1 1 A 43 43 LYS HA H 43 4.244 4.167 0.077 1
1 408 . 6 1 1 A 43 43 LYS CA C 43 57.480 58.188 -0.708 1
1 409 . 6 1 1 A 43 43 LYS CB C 43 32.888 32.133 0.755 1
1 410 . 6 1 1 A 43 43 LYS N N 43 120.337 120.602 -0.265 1
1 411 . 6 1 1 A 44 44 PHE H H 44 7.966 8.759 -0.793 1
1 412 . 6 1 1 A 44 44 PHE HA H 44 4.664 4.161 0.503 1
1 417 . 6 1 1 A 44 44 PHE CA C 44 58.606 61.181 -2.575 1
1 418 . 6 1 1 A 44 44 PHE CB C 44 39.452 39.586 -0.134 1
1 419 . 6 1 1 A 44 44 PHE N N 44 118.202 121.191 -2.989 1
1 420 . 6 1 1 A 45 45 ASN H H 45 8.147 7.486 0.661 1
1 421 . 6 1 1 A 45 45 ASN HA H 45 4.771 4.658 0.113 1
1 426 . 6 1 1 A 45 45 ASN CA C 45 53.951 52.670 1.281 1
1 427 . 6 1 1 A 45 45 ASN CB C 45 39.301 38.974 0.327 1
1 428 . 6 1 1 A 45 45 ASN N N 45 118.296 115.982 2.314 1
1 430 . 6 1 1 A 46 46 GLN H H 46 8.209 8.769 -0.560 1
1 431 . 6 1 1 A 46 46 GLN HA H 46 4.344 4.030 0.314 1
1 436 . 6 1 1 A 46 46 GLN CA C 46 56.832 59.008 -2.176 1
1 437 . 6 1 1 A 46 46 GLN CB C 46 29.314 28.518 0.796 1
1 438 . 6 1 1 A 46 46 GLN N N 46 119.469 124.260 -4.791 1
1 439 . 6 1 1 A 47 47 GLN H H 47 8.221 7.650 0.571 1
1 440 . 6 1 1 A 47 47 GLN CA C 47 56.832 58.496 -1.664 1
1 441 . 6 1 1 A 47 47 GLN CB C 47 29.314 28.369 0.945 1
1 442 . 6 1 1 A 47 47 GLN N N 47 119.452 119.879 -0.427 1
1 443 . 6 1 1 A 48 48 GLN H H 48 8.058 8.032 0.026 1
1 444 . 6 1 1 A 48 48 GLN HA H 48 4.394 4.037 0.357 1
1 449 . 6 1 1 A 48 48 GLN CA C 48 56.600 59.264 -2.664 1
1 450 . 6 1 1 A 48 48 GLN CB C 48 29.578 28.190 1.388 1
1 451 . 6 1 1 A 48 48 GLN N N 48 119.642 119.908 -0.266 1
1 452 . 6 1 1 A 49 49 ARG H H 49 8.255 7.557 0.698 1
1 453 . 6 1 1 A 49 49 ARG HA H 49 4.475 4.142 0.333 1
1 460 . 6 1 1 A 49 49 ARG CA C 49 56.569 58.911 -2.342 1
1 461 . 6 1 1 A 49 49 ARG CB C 49 30.919 29.706 1.213 1
1 462 . 6 1 1 A 49 49 ARG N N 49 121.599 119.266 2.333 1
1 463 . 6 1 1 A 50 50 THR H H 50 8.113 7.278 0.835 1
1 464 . 6 1 1 A 50 50 THR HA H 50 4.438 4.068 0.370 1
1 469 . 6 1 1 A 50 50 THR CA C 50 62.130 65.067 -2.937 1
1 470 . 6 1 1 A 50 50 THR CB C 50 70.380 69.327 1.053 1
1 471 . 6 1 1 A 50 50 THR N N 50 113.660 112.866 0.794 1
1 472 . 6 1 1 A 51 51 GLY H H 51 8.296 7.417 0.879 1
1 473 . 6 1 1 A 51 51 GLY HA2 H 51 4.060 4.037 0.023 1
1 474 . 6 1 1 A 51 51 GLY HA3 H 51 4.060 4.040 0.020 1
1 475 . 6 1 1 A 51 51 GLY CA C 51 45.374 45.670 -0.296 1
1 476 . 6 1 1 A 51 51 GLY N N 51 110.876 107.684 3.192 1
1 477 . 6 1 1 A 52 52 GLU H H 52 8.153 8.055 0.098 1
1 478 . 6 1 1 A 52 52 GLU HA H 52 4.729 4.758 -0.029 1
1 483 . 6 1 1 A 52 52 GLU CA C 52 54.072 53.655 0.417 1
1 484 . 6 1 1 A 52 52 GLU CB C 52 29.347 30.028 -0.681 1
1 485 . 6 1 1 A 52 52 GLU N N 52 120.834 119.526 1.308 1
1 486 . 6 1 1 A 53 53 PRO HA H 53 4.495 4.284 0.211 1
1 493 . 6 1 1 A 53 53 PRO CA C 53 63.749 65.948 -2.199 1
1 494 . 6 1 1 A 53 53 PRO CB C 53 32.309 31.867 0.442 1
1 495 . 6 1 1 A 54 54 ASP H H 54 8.402 8.083 0.319 1
1 496 . 6 1 1 A 54 54 ASP HA H 54 4.677 4.322 0.355 1
1 499 . 6 1 1 A 54 54 ASP CA C 54 54.210 55.379 -1.169 1
1 500 . 6 1 1 A 54 54 ASP CB C 54 40.375 40.228 0.147 1
1 501 . 6 1 1 A 54 54 ASP N N 54 119.287 117.235 2.052 1
1 502 . 6 1 1 A 55 55 GLU H H 55 8.249 8.030 0.219 1
1 503 . 6 1 1 A 55 55 GLU HA H 55 4.650 4.027 0.623 1
1 508 . 6 1 1 A 55 55 GLU CA C 55 56.397 59.185 -2.788 1
1 509 . 6 1 1 A 55 55 GLU CB C 55 29.461 29.800 -0.339 1
1 510 . 6 1 1 A 55 55 GLU N N 55 120.671 119.520 1.151 1
1 511 . 6 1 1 A 56 56 GLU H H 56 8.257 7.902 0.355 1
1 512 . 6 1 1 A 56 56 GLU HA H 56 4.396 4.648 -0.252 1
1 517 . 6 1 1 A 56 56 GLU CA C 56 56.414 54.837 1.577 1
1 518 . 6 1 1 A 56 56 GLU CB C 56 29.461 30.843 -1.382 1
1 519 . 6 1 1 A 56 56 GLU N N 56 119.852 118.622 1.230 1
1 520 . 6 1 1 A 57 57 GLU H H 57 8.311 8.567 -0.256 1
1 521 . 6 1 1 A 57 57 GLU HA H 57 4.453 4.273 0.180 1
1 526 . 6 1 1 A 57 57 GLU CA C 57 56.350 57.136 -0.786 1
1 527 . 6 1 1 A 57 57 GLU CB C 57 29.959 30.183 -0.224 1
1 528 . 6 1 1 A 57 57 GLU N N 57 121.046 121.250 -0.204 1
1 529 . 6 1 1 A 58 58 GLY H H 58 8.407 8.035 0.372 1
1 530 . 6 1 1 A 58 58 GLY HA2 H 58 4.190 4.116 0.074 1
1 531 . 6 1 1 A 58 58 GLY HA3 H 58 4.190 4.197 -0.007 1
1 532 . 6 1 1 A 58 58 GLY CA C 58 45.841 44.313 1.528 1
1 533 . 6 1 1 A 58 58 GLY N N 58 109.873 110.713 -0.840 1
1 534 . 6 1 1 A 59 59 THR H H 59 8.141 8.237 -0.096 1
1 535 . 6 1 1 A 59 59 THR HA H 59 4.348 3.287 1.061 1
1 540 . 6 1 1 A 59 59 THR CA C 59 63.622 62.093 1.529 1
1 541 . 6 1 1 A 59 59 THR CB C 59 70.393 69.651 0.742 1
1 542 . 6 1 1 A 59 59 THR N N 59 114.486 115.878 -1.392 1
1 543 . 6 1 1 A 60 60 PHE H H 60 8.651 8.931 -0.280 1
1 544 . 6 1 1 A 60 60 PHE HA H 60 4.439 3.991 0.448 1
1 549 . 6 1 1 A 60 60 PHE CA C 60 61.359 61.761 -0.402 1
1 550 . 6 1 1 A 60 60 PHE CB C 60 38.960 39.045 -0.085 1
1 551 . 6 1 1 A 60 60 PHE N N 60 123.173 123.811 -0.638 1
1 552 . 6 1 1 A 61 61 ARG H H 61 8.247 8.174 0.073 1
1 553 . 6 1 1 A 61 61 ARG HA H 61 3.932 3.888 0.044 1
1 560 . 6 1 1 A 61 61 ARG CA C 61 59.472 59.644 -0.172 1
1 561 . 6 1 1 A 61 61 ARG CB C 61 30.162 29.696 0.466 1
1 562 . 6 1 1 A 61 61 ARG N N 61 118.197 118.645 -0.448 1
1 563 . 6 1 1 A 62 62 SER H H 62 8.098 8.242 -0.144 1
1 564 . 6 1 1 A 62 62 SER HA H 62 4.313 4.187 0.126 1
1 567 . 6 1 1 A 62 62 SER CA C 62 61.112 61.437 -0.325 1
1 568 . 6 1 1 A 62 62 SER CB C 62 63.426 62.231 1.195 1
1 569 . 6 1 1 A 62 62 SER N N 62 113.309 114.856 -1.547 1
1 570 . 6 1 1 A 63 63 SER H H 63 8.050 7.502 0.548 1
1 571 . 6 1 1 A 63 63 SER HA H 63 4.361 4.021 0.340 1
1 574 . 6 1 1 A 63 63 SER CA C 63 61.816 61.868 -0.052 1
1 575 . 6 1 1 A 63 63 SER CB C 63 64.359 62.607 1.752 1
1 576 . 6 1 1 A 63 63 SER N N 63 118.744 115.881 2.863 1
1 577 . 6 1 1 A 64 64 ILE H H 64 7.813 7.589 0.224 1
1 578 . 6 1 1 A 64 64 ILE HA H 64 3.936 3.547 0.389 1
1 588 . 6 1 1 A 64 64 ILE CA C 64 63.557 65.131 -1.574 1
1 589 . 6 1 1 A 64 64 ILE CB C 64 37.482 37.088 0.394 1
1 590 . 6 1 1 A 64 64 ILE N N 64 120.616 121.415 -0.799 1
1 591 . 6 1 1 A 65 65 ARG H H 65 7.863 7.819 0.044 1
1 592 . 6 1 1 A 65 65 ARG HA H 65 4.207 3.909 0.298 1
1 600 . 6 1 1 A 65 65 ARG CA C 65 58.617 59.723 -1.106 1
1 601 . 6 1 1 A 65 65 ARG CB C 65 30.088 29.800 0.288 1
1 602 . 6 1 1 A 65 65 ARG N N 65 120.278 120.370 -0.092 1
1 603 . 6 1 1 A 66 66 ARG H H 66 7.934 7.706 0.228 1
1 604 . 6 1 1 A 66 66 ARG HA H 66 4.251 4.071 0.180 1
1 611 . 6 1 1 A 66 66 ARG CA C 66 58.512 59.002 -0.490 1
1 612 . 6 1 1 A 66 66 ARG CB C 66 30.618 29.849 0.769 1
1 613 . 6 1 1 A 66 66 ARG N N 66 119.070 119.643 -0.573 1
1 614 . 6 1 1 A 67 67 LEU H H 67 8.014 7.852 0.162 1
1 615 . 6 1 1 A 67 67 LEU HA H 67 4.259 4.038 0.221 1
1 625 . 6 1 1 A 67 67 LEU CA C 67 57.012 57.473 -0.461 1
1 626 . 6 1 1 A 67 67 LEU CB C 67 42.398 41.582 0.816 1
1 627 . 6 1 1 A 67 67 LEU N N 67 119.999 122.148 -2.149 1
1 628 . 6 1 1 A 68 68 SER H H 68 8.091 8.268 -0.177 1
1 629 . 6 1 1 A 68 68 SER HA H 68 4.352 4.186 0.166 1
1 632 . 6 1 1 A 68 68 SER CA C 68 60.421 61.205 -0.784 1
1 633 . 6 1 1 A 68 68 SER CB C 68 63.997 63.006 0.991 1
1 634 . 6 1 1 A 68 68 SER N N 68 113.037 115.022 -1.985 1
1 635 . 6 1 1 A 69 69 THR H H 69 7.765 7.675 0.090 1
1 640 . 6 1 1 A 69 69 THR CA C 69 63.075 63.371 -0.296 1
1 641 . 6 1 1 A 69 69 THR CB C 69 69.994 69.666 0.328 1
1 642 . 6 1 1 A 69 69 THR N N 69 113.132 112.930 0.202 1
1 643 . 6 1 1 A 70 70 ARG H H 70 7.915 8.686 -0.771 1
1 644 . 6 1 1 A 70 70 ARG HA H 70 4.402 4.073 0.329 1
1 651 . 6 1 1 A 70 70 ARG CA C 70 57.068 59.159 -2.091 1
1 652 . 6 1 1 A 70 70 ARG CB C 70 30.778 30.267 0.511 1
1 653 . 6 1 1 A 70 70 ARG N N 70 121.113 121.801 -0.688 1
1 654 . 6 1 1 A 71 71 ARG H H 71 7.891 7.940 -0.049 1
1 655 . 6 1 1 A 71 71 ARG HA H 71 4.421 4.728 -0.307 1
1 662 . 6 1 1 A 71 71 ARG CA C 71 56.407 54.081 2.326 1
1 663 . 6 1 1 A 71 71 ARG CB C 71 31.156 33.808 -2.652 1
1 664 . 6 1 1 A 71 71 ARG N N 71 118.899 117.122 1.777 1
1 8 . 7 1 1 A 2 2 SER H H 2 8.707 7.386 1.321 1
1 9 . 7 1 1 A 2 2 SER HA H 2 4.638 4.402 0.236 1
1 12 . 7 1 1 A 2 2 SER CA C 2 56.699 56.977 -0.278 1
1 13 . 7 1 1 A 2 2 SER CB C 2 63.978 63.118 0.860 1
1 14 . 7 1 1 A 2 2 SER N N 2 118.975 118.080 0.895 1
1 15 . 7 1 1 A 3 3 PRO HA H 3 4.533 4.354 0.179 1
1 22 . 7 1 1 A 3 3 PRO CA C 3 64.301 64.540 -0.239 1
1 23 . 7 1 1 A 3 3 PRO CB C 3 32.998 32.000 0.998 1
1 24 . 7 1 1 A 4 4 LYS H H 4 8.117 8.411 -0.294 1
1 25 . 7 1 1 A 4 4 LYS HA H 4 4.314 4.105 0.209 1
1 32 . 7 1 1 A 4 4 LYS CA C 4 56.918 57.974 -1.056 1
1 33 . 7 1 1 A 4 4 LYS CB C 4 33.010 32.336 0.674 1
1 34 . 7 1 1 A 4 4 LYS N N 4 118.277 116.829 1.448 1
1 35 . 7 1 1 A 5 5 GLU HA H 5 4.302 4.223 0.079 1
1 40 . 7 1 1 A 5 5 GLU CA C 5 56.505 56.228 0.277 1
1 41 . 7 1 1 A 5 5 GLU CB C 5 38.736 29.677 9.059 1
1 42 . 7 1 1 A 6 6 HIS H H 6 8.075 8.218 -0.143 1
1 43 . 7 1 1 A 6 6 HIS HA H 6 4.352 5.032 -0.680 1
1 47 . 7 1 1 A 6 6 HIS CA C 6 55.000 54.718 0.282 1
1 48 . 7 1 1 A 6 6 HIS CB C 6 29.504 32.400 -2.896 1
1 49 . 7 1 1 A 6 6 HIS N N 6 117.435 119.241 -1.806 1
1 50 . 7 1 1 A 7 7 ASP H H 7 8.249 9.188 -0.939 1
1 51 . 7 1 1 A 7 7 ASP HA H 7 4.796 4.533 0.263 1
1 54 . 7 1 1 A 7 7 ASP CA C 7 51.877 58.742 -6.865 1
1 55 . 7 1 1 A 7 7 ASP CB C 7 39.384 39.349 0.035 1
1 56 . 7 1 1 A 7 7 ASP N N 7 120.163 118.807 1.356 1
1 57 . 7 1 1 A 8 8 PRO HA H 8 4.458 4.571 -0.113 1
1 64 . 7 1 1 A 8 8 PRO CA C 8 63.863 63.830 0.033 1
1 65 . 7 1 1 A 8 8 PRO CB C 8 32.512 31.293 1.219 1
1 66 . 7 1 1 A 9 9 PHE H H 9 7.959 8.902 -0.943 1
1 67 . 7 1 1 A 9 9 PHE HA H 9 4.783 4.216 0.567 1
1 72 . 7 1 1 A 9 9 PHE CA C 9 58.261 61.645 -3.384 1
1 73 . 7 1 1 A 9 9 PHE CB C 9 39.190 39.480 -0.290 1
1 74 . 7 1 1 A 9 9 PHE N N 9 118.640 120.091 -1.451 1
1 75 . 7 1 1 A 10 10 THR H H 10 7.897 8.143 -0.246 1
1 76 . 7 1 1 A 10 10 THR HA H 10 4.440 3.818 0.622 1
1 81 . 7 1 1 A 10 10 THR CA C 10 62.056 65.475 -3.419 1
1 82 . 7 1 1 A 10 10 THR CB C 10 70.112 69.159 0.953 1
1 83 . 7 1 1 A 10 10 THR N N 10 112.714 112.545 0.169 1
1 84 . 7 1 1 A 11 11 TYR H H 11 7.615 7.949 -0.334 1
1 85 . 7 1 1 A 11 11 TYR HA H 11 4.471 5.245 -0.774 1
1 90 . 7 1 1 A 11 11 TYR CA C 11 58.365 56.992 1.373 1
1 91 . 7 1 1 A 11 11 TYR CB C 11 70.116 41.138 28.978 1
1 92 . 7 1 1 A 11 11 TYR N N 11 122.022 117.453 4.569 1
1 93 . 7 1 1 A 12 12 ASP H H 12 7.954 9.010 -1.056 1
1 94 . 7 1 1 A 12 12 ASP HA H 12 4.800 4.861 -0.061 1
1 97 . 7 1 1 A 12 12 ASP CA C 12 53.013 55.623 -2.610 1
1 98 . 7 1 1 A 12 12 ASP CB C 12 39.384 43.812 -4.428 1
1 99 . 7 1 1 A 12 12 ASP N N 12 121.560 125.203 -3.643 1
1 100 . 7 1 1 A 13 13 TYR H H 13 7.949 8.548 -0.599 1
1 101 . 7 1 1 A 13 13 TYR HA H 13 4.435 4.731 -0.296 1
1 106 . 7 1 1 A 13 13 TYR CA C 13 59.555 58.145 1.410 1
1 107 . 7 1 1 A 13 13 TYR CB C 13 39.589 37.684 1.905 1
1 108 . 7 1 1 A 13 13 TYR N N 13 121.914 118.015 3.899 1
1 109 . 7 1 1 A 14 14 GLN H H 14 8.173 8.064 0.109 1
1 110 . 7 1 1 A 14 14 GLN HA H 14 4.222 4.025 0.197 1
1 115 . 7 1 1 A 14 14 GLN CA C 14 57.621 59.198 -1.577 1
1 116 . 7 1 1 A 14 14 GLN CB C 14 28.821 28.362 0.459 1
1 117 . 7 1 1 A 14 14 GLN N N 14 119.118 121.848 -2.730 1
1 118 . 7 1 1 A 15 15 SER H H 15 7.888 8.351 -0.463 1
1 119 . 7 1 1 A 15 15 SER HA H 15 4.485 4.301 0.184 1
1 122 . 7 1 1 A 15 15 SER CA C 15 59.326 61.326 -2.000 1
1 123 . 7 1 1 A 15 15 SER CB C 15 64.123 62.812 1.311 1
1 124 . 7 1 1 A 15 15 SER N N 15 114.275 114.924 -0.649 1
1 125 . 7 1 1 A 16 16 LEU H H 16 7.791 7.796 -0.005 1
1 126 . 7 1 1 A 16 16 LEU HA H 16 4.430 4.267 0.163 1
1 136 . 7 1 1 A 16 16 LEU CA C 16 55.849 55.434 0.415 1
1 137 . 7 1 1 A 16 16 LEU CB C 16 43.036 41.730 1.306 1
1 138 . 7 1 1 A 16 16 LEU N N 16 122.606 121.860 0.746 1
1 139 . 7 1 1 A 17 17 GLN H H 17 8.281 7.928 0.353 1
1 140 . 7 1 1 A 17 17 GLN HA H 17 4.426 4.152 0.274 1
1 145 . 7 1 1 A 17 17 GLN CA C 17 56.500 58.349 -1.849 1
1 146 . 7 1 1 A 17 17 GLN CB C 17 29.338 28.983 0.355 1
1 147 . 7 1 1 A 17 17 GLN N N 17 120.232 118.904 1.328 1
1 148 . 7 1 1 A 18 18 ILE H H 18 7.807 7.777 0.030 1
1 149 . 7 1 1 A 18 18 ILE HA H 18 4.238 4.221 0.017 1
1 159 . 7 1 1 A 18 18 ILE CA C 18 61.932 61.809 0.123 1
1 160 . 7 1 1 A 18 18 ILE CB C 18 38.997 38.392 0.605 1
1 161 . 7 1 1 A 18 18 ILE N N 18 118.727 118.876 -0.149 1
1 162 . 7 1 1 A 19 19 GLY H H 19 8.106 8.288 -0.182 1
1 163 . 7 1 1 A 19 19 GLY HA2 H 19 4.054 3.747 0.307 1
1 164 . 7 1 1 A 19 19 GLY HA3 H 19 4.054 3.754 0.300 1
1 165 . 7 1 1 A 19 19 GLY CA C 19 46.338 47.220 -0.882 1
1 166 . 7 1 1 A 19 19 GLY N N 19 109.552 110.307 -0.755 1
1 167 . 7 1 1 A 20 20 GLY H H 20 8.305 8.529 -0.224 1
1 168 . 7 1 1 A 20 20 GLY HA2 H 20 3.877 3.841 0.036 1
1 169 . 7 1 1 A 20 20 GLY HA3 H 20 3.877 3.843 0.034 1
1 170 . 7 1 1 A 20 20 GLY CA C 20 47.746 47.036 0.710 1
1 171 . 7 1 1 A 20 20 GLY N N 20 107.332 108.303 -0.971 1
1 172 . 7 1 1 A 21 21 LEU H H 21 8.046 8.035 0.011 1
1 173 . 7 1 1 A 21 21 LEU HA H 21 4.172 3.981 0.191 1
1 183 . 7 1 1 A 21 21 LEU CA C 21 58.140 57.701 0.439 1
1 184 . 7 1 1 A 21 21 LEU CB C 21 41.812 42.008 -0.196 1
1 185 . 7 1 1 A 21 21 LEU N N 21 119.906 122.966 -3.060 1
1 186 . 7 1 1 A 22 22 VAL H H 22 7.716 8.354 -0.638 1
1 187 . 7 1 1 A 22 22 VAL HA H 22 3.691 3.432 0.259 1
1 195 . 7 1 1 A 22 22 VAL CA C 22 66.872 66.897 -0.025 1
1 196 . 7 1 1 A 22 22 VAL CB C 22 67.290 31.768 35.522 1
1 197 . 7 1 1 A 22 22 VAL N N 22 117.489 117.514 -0.025 1
1 198 . 7 1 1 A 23 23 ILE H H 23 7.707 8.216 -0.509 1
1 199 . 7 1 1 A 23 23 ILE HA H 23 3.679 3.586 0.093 1
1 208 . 7 1 1 A 23 23 ILE CA C 23 65.219 65.915 -0.696 1
1 209 . 7 1 1 A 23 23 ILE CB C 23 39.538 38.173 1.365 1
1 210 . 7 1 1 A 23 23 ILE N N 23 117.900 119.655 -1.755 1
1 211 . 7 1 1 A 24 24 ALA H H 24 8.248 8.705 -0.457 1
1 215 . 7 1 1 A 24 24 ALA CA C 24 55.723 55.344 0.379 1
1 216 . 7 1 1 A 24 24 ALA CB C 24 18.223 18.396 -0.173 1
1 217 . 7 1 1 A 24 24 ALA N N 24 120.166 121.701 -1.535 1
1 218 . 7 1 1 A 25 25 GLY H H 25 8.482 8.091 0.391 1
1 219 . 7 1 1 A 25 25 GLY HA2 H 25 3.781 3.787 -0.006 1
1 220 . 7 1 1 A 25 25 GLY HA3 H 25 3.692 3.796 -0.104 1
1 221 . 7 1 1 A 25 25 GLY CA C 25 47.860 47.344 0.516 1
1 222 . 7 1 1 A 25 25 GLY N N 25 103.943 105.307 -1.364 1
1 223 . 7 1 1 A 26 26 ILE H H 26 8.401 7.831 0.570 1
1 224 . 7 1 1 A 26 26 ILE HA H 26 3.715 3.834 -0.119 1
1 229 . 7 1 1 A 26 26 ILE CA C 26 65.719 64.700 1.019 1
1 230 . 7 1 1 A 26 26 ILE CB C 26 38.043 37.670 0.373 1
1 231 . 7 1 1 A 26 26 ILE N N 26 120.944 122.666 -1.722 1
1 232 . 7 1 1 A 27 27 LEU H H 27 8.303 8.097 0.206 1
1 233 . 7 1 1 A 27 27 LEU HA H 27 4.011 3.969 0.042 1
1 243 . 7 1 1 A 27 27 LEU CA C 27 58.586 58.239 0.347 1
1 244 . 7 1 1 A 27 27 LEU CB C 27 41.728 41.798 -0.070 1
1 245 . 7 1 1 A 27 27 LEU N N 27 118.806 119.381 -0.575 1
1 246 . 7 1 1 A 28 28 PHE H H 28 8.568 7.931 0.637 1
1 247 . 7 1 1 A 28 28 PHE HA H 28 4.238 4.221 0.017 1
1 252 . 7 1 1 A 28 28 PHE CA C 28 61.596 61.255 0.341 1
1 253 . 7 1 1 A 28 28 PHE CB C 28 39.690 38.642 1.048 1
1 254 . 7 1 1 A 28 28 PHE N N 28 118.499 116.922 1.577 1
1 255 . 7 1 1 A 29 29 ILE H H 29 8.247 8.328 -0.081 1
1 256 . 7 1 1 A 29 29 ILE HA H 29 3.607 3.729 -0.122 1
1 263 . 7 1 1 A 29 29 ILE CA C 29 65.048 64.817 0.231 1
1 264 . 7 1 1 A 29 29 ILE CB C 29 37.293 37.745 -0.452 1
1 265 . 7 1 1 A 29 29 ILE N N 29 117.892 120.355 -2.463 1
1 266 . 7 1 1 A 30 30 LEU H H 30 8.624 8.747 -0.123 1
1 267 . 7 1 1 A 30 30 LEU HA H 30 4.012 4.047 -0.035 1
1 277 . 7 1 1 A 30 30 LEU CA C 30 58.624 58.113 0.511 1
1 278 . 7 1 1 A 30 30 LEU CB C 30 42.011 41.724 0.287 1
1 279 . 7 1 1 A 30 30 LEU N N 30 119.146 120.560 -1.414 1
1 280 . 7 1 1 A 31 31 GLY H H 31 8.754 8.434 0.320 1
1 281 . 7 1 1 A 31 31 GLY HA2 H 31 3.643 3.669 -0.026 1
1 282 . 7 1 1 A 31 31 GLY HA3 H 31 3.643 3.719 -0.076 1
1 283 . 7 1 1 A 31 31 GLY CA C 31 48.068 47.387 0.681 1
1 284 . 7 1 1 A 31 31 GLY N N 31 106.000 106.827 -0.827 1
1 285 . 7 1 1 A 32 32 ILE H H 32 8.303 8.599 -0.296 1
1 286 . 7 1 1 A 32 32 ILE HA H 32 3.622 3.786 -0.164 1
1 296 . 7 1 1 A 32 32 ILE CA C 32 65.126 64.638 0.488 1
1 297 . 7 1 1 A 32 32 ILE CB C 32 39.126 37.768 1.358 1
1 298 . 7 1 1 A 32 32 ILE N N 32 120.840 122.543 -1.703 1
1 299 . 7 1 1 A 33 33 LEU H H 33 8.388 8.111 0.277 1
1 300 . 7 1 1 A 33 33 LEU HA H 33 4.042 4.045 -0.003 1
1 310 . 7 1 1 A 33 33 LEU CA C 33 58.672 58.073 0.599 1
1 311 . 7 1 1 A 33 33 LEU CB C 33 40.359 41.628 -1.269 1
1 312 . 7 1 1 A 33 33 LEU N N 33 119.523 119.379 0.144 1
1 313 . 7 1 1 A 34 34 ILE H H 34 8.703 8.737 -0.034 1
1 314 . 7 1 1 A 34 34 ILE HA H 34 3.685 3.541 0.144 1
1 319 . 7 1 1 A 34 34 ILE CA C 34 66.120 65.429 0.691 1
1 320 . 7 1 1 A 34 34 ILE CB C 34 37.627 37.735 -0.108 1
1 321 . 7 1 1 A 34 34 ILE N N 34 120.906 119.720 1.186 1
1 322 . 7 1 1 A 35 35 VAL H H 35 8.359 8.143 0.216 1
1 323 . 7 1 1 A 35 35 VAL HA H 35 3.690 3.580 0.110 1
1 331 . 7 1 1 A 35 35 VAL CA C 35 67.546 66.737 0.809 1
1 332 . 7 1 1 A 35 35 VAL CB C 35 31.619 31.780 -0.161 1
1 333 . 7 1 1 A 35 35 VAL N N 35 120.794 119.235 1.559 1
1 334 . 7 1 1 A 36 36 LEU H H 36 9.002 8.092 0.910 1
1 335 . 7 1 1 A 36 36 LEU HA H 36 4.095 4.037 0.058 1
1 345 . 7 1 1 A 36 36 LEU CA C 36 58.589 57.843 0.746 1
1 346 . 7 1 1 A 36 36 LEU CB C 36 42.017 40.859 1.158 1
1 347 . 7 1 1 A 36 36 LEU N N 36 119.433 117.823 1.610 1
1 348 . 7 1 1 A 37 37 SER H H 37 8.585 8.228 0.357 1
1 349 . 7 1 1 A 37 37 SER HA H 37 4.632 4.113 0.519 1
1 352 . 7 1 1 A 37 37 SER CA C 37 62.896 62.021 0.875 1
1 353 . 7 1 1 A 37 37 SER CB C 37 63.973 62.748 1.225 1
1 354 . 7 1 1 A 37 37 SER N N 37 115.400 114.460 0.940 1
1 355 . 7 1 1 A 38 38 ARG H H 38 8.180 7.845 0.335 1
1 356 . 7 1 1 A 38 38 ARG HA H 38 4.218 4.095 0.123 1
1 363 . 7 1 1 A 38 38 ARG CA C 38 59.259 59.433 -0.174 1
1 364 . 7 1 1 A 38 38 ARG CB C 38 30.751 29.955 0.796 1
1 365 . 7 1 1 A 38 38 ARG N N 38 121.516 122.340 -0.824 1
1 366 . 7 1 1 A 39 39 ARG H H 39 8.362 7.672 0.690 1
1 367 . 7 1 1 A 39 39 ARG HA H 39 4.373 4.074 0.299 1
1 374 . 7 1 1 A 39 39 ARG CA C 39 58.095 59.355 -1.260 1
1 375 . 7 1 1 A 39 39 ARG CB C 39 30.581 29.874 0.707 1
1 376 . 7 1 1 A 39 39 ARG N N 39 117.803 118.795 -0.992 1
1 377 . 7 1 1 A 40 40 CYS H H 40 8.423 8.333 0.090 1
1 378 . 7 1 1 A 40 40 CYS HA H 40 4.447 4.247 0.200 1
1 381 . 7 1 1 A 40 40 CYS CA C 40 61.514 62.118 -0.604 1
1 382 . 7 1 1 A 40 40 CYS CB C 40 28.091 27.401 0.690 1
1 383 . 7 1 1 A 40 40 CYS N N 40 116.351 118.638 -2.287 1
1 384 . 7 1 1 A 41 41 ARG H H 41 8.095 8.328 -0.233 1
1 385 . 7 1 1 A 41 41 ARG HA H 41 4.204 4.039 0.165 1
1 392 . 7 1 1 A 41 41 ARG CA C 41 58.876 59.499 -0.623 1
1 393 . 7 1 1 A 41 41 ARG CB C 41 30.227 30.126 0.101 1
1 394 . 7 1 1 A 41 41 ARG N N 41 119.841 120.655 -0.814 1
1 395 . 7 1 1 A 42 42 CYS H H 42 8.061 8.344 -0.283 1
1 396 . 7 1 1 A 42 42 CYS HA H 42 4.435 4.202 0.233 1
1 399 . 7 1 1 A 42 42 CYS CA C 42 60.508 64.036 -3.528 1
1 400 . 7 1 1 A 42 42 CYS CB C 42 27.409 27.563 -0.154 1
1 401 . 7 1 1 A 42 42 CYS N N 42 116.220 118.032 -1.812 1
1 402 . 7 1 1 A 43 43 LYS H H 43 7.936 8.209 -0.273 1
1 403 . 7 1 1 A 43 43 LYS HA H 43 4.244 4.147 0.097 1
1 408 . 7 1 1 A 43 43 LYS CA C 43 57.480 58.163 -0.683 1
1 409 . 7 1 1 A 43 43 LYS CB C 43 32.888 32.100 0.788 1
1 410 . 7 1 1 A 43 43 LYS N N 43 120.337 120.138 0.199 1
1 411 . 7 1 1 A 44 44 PHE H H 44 7.966 8.581 -0.615 1
1 412 . 7 1 1 A 44 44 PHE HA H 44 4.664 4.032 0.632 1
1 417 . 7 1 1 A 44 44 PHE CA C 44 58.606 61.726 -3.120 1
1 418 . 7 1 1 A 44 44 PHE CB C 44 39.452 39.333 0.119 1
1 419 . 7 1 1 A 44 44 PHE N N 44 118.202 121.161 -2.959 1
1 420 . 7 1 1 A 45 45 ASN H H 45 8.147 7.619 0.528 1
1 421 . 7 1 1 A 45 45 ASN HA H 45 4.771 4.499 0.272 1
1 426 . 7 1 1 A 45 45 ASN CA C 45 53.951 52.672 1.279 1
1 427 . 7 1 1 A 45 45 ASN CB C 45 39.301 38.906 0.395 1
1 428 . 7 1 1 A 45 45 ASN N N 45 118.296 113.851 4.445 1
1 430 . 7 1 1 A 46 46 GLN H H 46 8.209 8.673 -0.464 1
1 431 . 7 1 1 A 46 46 GLN HA H 46 4.344 3.973 0.371 1
1 436 . 7 1 1 A 46 46 GLN CA C 46 56.832 58.699 -1.867 1
1 437 . 7 1 1 A 46 46 GLN CB C 46 29.314 28.144 1.170 1
1 438 . 7 1 1 A 46 46 GLN N N 46 119.469 122.902 -3.433 1
1 439 . 7 1 1 A 47 47 GLN H H 47 8.221 8.186 0.035 1
1 440 . 7 1 1 A 47 47 GLN CA C 47 56.832 59.324 -2.492 1
1 441 . 7 1 1 A 47 47 GLN CB C 47 29.314 28.224 1.090 1
1 442 . 7 1 1 A 47 47 GLN N N 47 119.452 120.022 -0.570 1
1 443 . 7 1 1 A 48 48 GLN H H 48 8.058 8.193 -0.135 1
1 444 . 7 1 1 A 48 48 GLN HA H 48 4.394 4.154 0.240 1
1 449 . 7 1 1 A 48 48 GLN CA C 48 56.600 58.320 -1.720 1
1 450 . 7 1 1 A 48 48 GLN CB C 48 29.578 29.241 0.337 1
1 451 . 7 1 1 A 48 48 GLN N N 48 119.642 118.214 1.428 1
1 452 . 7 1 1 A 49 49 ARG H H 49 8.255 7.616 0.639 1
1 453 . 7 1 1 A 49 49 ARG HA H 49 4.475 4.412 0.063 1
1 460 . 7 1 1 A 49 49 ARG CA C 49 56.569 55.941 0.628 1
1 461 . 7 1 1 A 49 49 ARG CB C 49 30.919 30.337 0.582 1
1 462 . 7 1 1 A 49 49 ARG N N 49 121.599 114.404 7.195 1
1 463 . 7 1 1 A 50 50 THR H H 50 8.113 8.356 -0.243 1
1 464 . 7 1 1 A 50 50 THR HA H 50 4.438 4.905 -0.467 1
1 469 . 7 1 1 A 50 50 THR CA C 50 62.130 59.955 2.175 1
1 470 . 7 1 1 A 50 50 THR CB C 50 70.380 71.657 -1.277 1
1 471 . 7 1 1 A 50 50 THR N N 50 113.660 113.408 0.252 1
1 472 . 7 1 1 A 51 51 GLY H H 51 8.296 8.263 0.033 1
1 473 . 7 1 1 A 51 51 GLY HA2 H 51 4.060 4.051 0.009 1
1 474 . 7 1 1 A 51 51 GLY HA3 H 51 4.060 4.098 -0.038 1
1 475 . 7 1 1 A 51 51 GLY CA C 51 45.374 45.856 -0.482 1
1 476 . 7 1 1 A 51 51 GLY N N 51 110.876 107.747 3.129 1
1 477 . 7 1 1 A 52 52 GLU H H 52 8.153 8.615 -0.462 1
1 478 . 7 1 1 A 52 52 GLU HA H 52 4.729 4.734 -0.005 1
1 483 . 7 1 1 A 52 52 GLU CA C 52 54.072 53.711 0.361 1
1 484 . 7 1 1 A 52 52 GLU CB C 52 29.347 30.390 -1.043 1
1 485 . 7 1 1 A 52 52 GLU N N 52 120.834 120.715 0.119 1
1 486 . 7 1 1 A 53 53 PRO HA H 53 4.495 4.399 0.096 1
1 493 . 7 1 1 A 53 53 PRO CA C 53 63.749 63.081 0.668 1
1 494 . 7 1 1 A 53 53 PRO CB C 53 32.309 32.561 -0.252 1
1 495 . 7 1 1 A 54 54 ASP H H 54 8.402 8.613 -0.211 1
1 496 . 7 1 1 A 54 54 ASP HA H 54 4.677 5.039 -0.362 1
1 499 . 7 1 1 A 54 54 ASP CA C 54 54.210 52.791 1.419 1
1 500 . 7 1 1 A 54 54 ASP CB C 54 40.375 44.813 -4.438 1
1 501 . 7 1 1 A 54 54 ASP N N 54 119.287 119.665 -0.378 1
1 502 . 7 1 1 A 55 55 GLU H H 55 8.249 8.821 -0.572 1
1 503 . 7 1 1 A 55 55 GLU HA H 55 4.650 4.359 0.291 1
1 508 . 7 1 1 A 55 55 GLU CA C 55 56.397 58.458 -2.061 1
1 509 . 7 1 1 A 55 55 GLU CB C 55 29.461 29.735 -0.274 1
1 510 . 7 1 1 A 55 55 GLU N N 55 120.671 121.184 -0.513 1
1 511 . 7 1 1 A 56 56 GLU H H 56 8.257 8.045 0.212 1
1 512 . 7 1 1 A 56 56 GLU HA H 56 4.396 4.696 -0.300 1
1 517 . 7 1 1 A 56 56 GLU CA C 56 56.414 54.648 1.766 1
1 518 . 7 1 1 A 56 56 GLU CB C 56 29.461 31.321 -1.860 1
1 519 . 7 1 1 A 56 56 GLU N N 56 119.852 117.004 2.848 1
1 520 . 7 1 1 A 57 57 GLU H H 57 8.311 8.769 -0.458 1
1 521 . 7 1 1 A 57 57 GLU HA H 57 4.453 4.733 -0.280 1
1 526 . 7 1 1 A 57 57 GLU CA C 57 56.350 56.657 -0.307 1
1 527 . 7 1 1 A 57 57 GLU CB C 57 29.959 31.051 -1.092 1
1 528 . 7 1 1 A 57 57 GLU N N 57 121.046 121.486 -0.440 1
1 529 . 7 1 1 A 58 58 GLY H H 58 8.407 8.536 -0.129 1
1 530 . 7 1 1 A 58 58 GLY HA2 H 58 4.190 4.092 0.098 1
1 531 . 7 1 1 A 58 58 GLY HA3 H 58 4.190 4.106 0.084 1
1 532 . 7 1 1 A 58 58 GLY CA C 58 45.841 44.328 1.513 1
1 533 . 7 1 1 A 58 58 GLY N N 58 109.873 109.311 0.562 1
1 534 . 7 1 1 A 59 59 THR H H 59 8.141 8.407 -0.266 1
1 535 . 7 1 1 A 59 59 THR HA H 59 4.348 4.015 0.333 1
1 540 . 7 1 1 A 59 59 THR CA C 59 63.622 61.700 1.922 1
1 541 . 7 1 1 A 59 59 THR CB C 59 70.393 69.233 1.160 1
1 542 . 7 1 1 A 59 59 THR N N 59 114.486 115.234 -0.748 1
1 543 . 7 1 1 A 60 60 PHE H H 60 8.651 9.139 -0.488 1
1 544 . 7 1 1 A 60 60 PHE HA H 60 4.439 4.030 0.409 1
1 549 . 7 1 1 A 60 60 PHE CA C 60 61.359 62.062 -0.703 1
1 550 . 7 1 1 A 60 60 PHE CB C 60 38.960 39.085 -0.125 1
1 551 . 7 1 1 A 60 60 PHE N N 60 123.173 124.141 -0.968 1
1 552 . 7 1 1 A 61 61 ARG H H 61 8.247 8.250 -0.003 1
1 553 . 7 1 1 A 61 61 ARG HA H 61 3.932 3.963 -0.031 1
1 560 . 7 1 1 A 61 61 ARG CA C 61 59.472 59.767 -0.295 1
1 561 . 7 1 1 A 61 61 ARG CB C 61 30.162 29.893 0.269 1
1 562 . 7 1 1 A 61 61 ARG N N 61 118.197 118.513 -0.316 1
1 563 . 7 1 1 A 62 62 SER H H 62 8.098 7.740 0.358 1
1 564 . 7 1 1 A 62 62 SER HA H 62 4.313 4.132 0.181 1
1 567 . 7 1 1 A 62 62 SER CA C 62 61.112 61.255 -0.143 1
1 568 . 7 1 1 A 62 62 SER CB C 62 63.426 63.021 0.405 1
1 569 . 7 1 1 A 62 62 SER N N 62 113.309 115.866 -2.557 1
1 570 . 7 1 1 A 63 63 SER H H 63 8.050 7.557 0.493 1
1 571 . 7 1 1 A 63 63 SER HA H 63 4.361 4.104 0.257 1
1 574 . 7 1 1 A 63 63 SER CA C 63 61.816 61.894 -0.078 1
1 575 . 7 1 1 A 63 63 SER CB C 63 64.359 62.636 1.723 1
1 576 . 7 1 1 A 63 63 SER N N 63 118.744 116.694 2.050 1
1 577 . 7 1 1 A 64 64 ILE H H 64 7.813 7.398 0.415 1
1 578 . 7 1 1 A 64 64 ILE HA H 64 3.936 3.696 0.240 1
1 588 . 7 1 1 A 64 64 ILE CA C 64 63.557 64.483 -0.926 1
1 589 . 7 1 1 A 64 64 ILE CB C 64 37.482 37.193 0.289 1
1 590 . 7 1 1 A 64 64 ILE N N 64 120.616 118.503 2.113 1
1 591 . 7 1 1 A 65 65 ARG H H 65 7.863 7.761 0.102 1
1 592 . 7 1 1 A 65 65 ARG HA H 65 4.207 3.866 0.341 1
1 600 . 7 1 1 A 65 65 ARG CA C 65 58.617 59.293 -0.676 1
1 601 . 7 1 1 A 65 65 ARG CB C 65 30.088 29.749 0.339 1
1 602 . 7 1 1 A 65 65 ARG N N 65 120.278 121.554 -1.276 1
1 603 . 7 1 1 A 66 66 ARG H H 66 7.934 7.697 0.237 1
1 604 . 7 1 1 A 66 66 ARG HA H 66 4.251 4.060 0.191 1
1 611 . 7 1 1 A 66 66 ARG CA C 66 58.512 59.022 -0.510 1
1 612 . 7 1 1 A 66 66 ARG CB C 66 30.618 29.835 0.783 1
1 613 . 7 1 1 A 66 66 ARG N N 66 119.070 118.523 0.547 1
1 614 . 7 1 1 A 67 67 LEU H H 67 8.014 8.312 -0.298 1
1 615 . 7 1 1 A 67 67 LEU HA H 67 4.259 4.048 0.211 1
1 625 . 7 1 1 A 67 67 LEU CA C 67 57.012 57.486 -0.474 1
1 626 . 7 1 1 A 67 67 LEU CB C 67 42.398 40.878 1.520 1
1 627 . 7 1 1 A 67 67 LEU N N 67 119.999 119.541 0.458 1
1 628 . 7 1 1 A 68 68 SER H H 68 8.091 8.386 -0.295 1
1 629 . 7 1 1 A 68 68 SER HA H 68 4.352 4.207 0.145 1
1 632 . 7 1 1 A 68 68 SER CA C 68 60.421 61.197 -0.776 1
1 633 . 7 1 1 A 68 68 SER CB C 68 63.997 63.078 0.919 1
1 634 . 7 1 1 A 68 68 SER N N 68 113.037 114.900 -1.863 1
1 635 . 7 1 1 A 69 69 THR H H 69 7.765 7.686 0.079 1
1 640 . 7 1 1 A 69 69 THR CA C 69 63.075 63.114 -0.039 1
1 641 . 7 1 1 A 69 69 THR CB C 69 69.994 69.701 0.293 1
1 642 . 7 1 1 A 69 69 THR N N 69 113.132 112.698 0.434 1
1 643 . 7 1 1 A 70 70 ARG H H 70 7.915 8.520 -0.605 1
1 644 . 7 1 1 A 70 70 ARG HA H 70 4.402 4.114 0.288 1
1 651 . 7 1 1 A 70 70 ARG CA C 70 57.068 58.271 -1.203 1
1 652 . 7 1 1 A 70 70 ARG CB C 70 30.778 30.186 0.592 1
1 653 . 7 1 1 A 70 70 ARG N N 70 121.113 121.595 -0.482 1
1 654 . 7 1 1 A 71 71 ARG H H 71 7.891 7.505 0.386 1
1 655 . 7 1 1 A 71 71 ARG HA H 71 4.421 4.847 -0.426 1
1 662 . 7 1 1 A 71 71 ARG CA C 71 56.407 54.771 1.636 1
1 663 . 7 1 1 A 71 71 ARG CB C 71 31.156 33.853 -2.697 1
1 664 . 7 1 1 A 71 71 ARG N N 71 118.899 119.188 -0.289 1
1 8 . 8 1 1 A 2 2 SER H H 2 8.707 8.564 0.143 1
1 9 . 8 1 1 A 2 2 SER HA H 2 4.638 4.872 -0.234 1
1 12 . 8 1 1 A 2 2 SER CA C 2 56.699 55.592 1.107 1
1 13 . 8 1 1 A 2 2 SER CB C 2 63.978 65.560 -1.582 1
1 14 . 8 1 1 A 2 2 SER N N 2 118.975 115.317 3.658 1
1 15 . 8 1 1 A 3 3 PRO HA H 3 4.533 4.406 0.127 1
1 22 . 8 1 1 A 3 3 PRO CA C 3 64.301 64.328 -0.027 1
1 23 . 8 1 1 A 3 3 PRO CB C 3 32.998 31.777 1.221 1
1 24 . 8 1 1 A 4 4 LYS H H 4 8.117 8.661 -0.544 1
1 25 . 8 1 1 A 4 4 LYS HA H 4 4.314 4.043 0.271 1
1 32 . 8 1 1 A 4 4 LYS CA C 4 56.918 57.662 -0.744 1
1 33 . 8 1 1 A 4 4 LYS CB C 4 33.010 32.551 0.459 1
1 34 . 8 1 1 A 4 4 LYS N N 4 118.277 116.747 1.530 1
1 35 . 8 1 1 A 5 5 GLU HA H 5 4.302 4.648 -0.346 1
1 40 . 8 1 1 A 5 5 GLU CA C 5 56.505 55.835 0.670 1
1 41 . 8 1 1 A 5 5 GLU CB C 5 38.736 31.136 7.600 1
1 42 . 8 1 1 A 6 6 HIS H H 6 8.075 8.956 -0.881 1
1 43 . 8 1 1 A 6 6 HIS HA H 6 4.352 4.879 -0.527 1
1 47 . 8 1 1 A 6 6 HIS CA C 6 55.000 55.401 -0.401 1
1 48 . 8 1 1 A 6 6 HIS CB C 6 29.504 31.803 -2.299 1
1 49 . 8 1 1 A 6 6 HIS N N 6 117.435 124.343 -6.908 1
1 50 . 8 1 1 A 7 7 ASP H H 7 8.249 9.322 -1.073 1
1 51 . 8 1 1 A 7 7 ASP HA H 7 4.796 4.504 0.292 1
1 54 . 8 1 1 A 7 7 ASP CA C 7 51.877 59.407 -7.530 1
1 55 . 8 1 1 A 7 7 ASP CB C 7 39.384 38.747 0.637 1
1 56 . 8 1 1 A 7 7 ASP N N 7 120.163 123.103 -2.940 1
1 57 . 8 1 1 A 8 8 PRO HA H 8 4.458 4.478 -0.020 1
1 64 . 8 1 1 A 8 8 PRO CA C 8 63.863 65.584 -1.721 1
1 65 . 8 1 1 A 8 8 PRO CB C 8 32.512 31.238 1.274 1
1 66 . 8 1 1 A 9 9 PHE H H 9 7.959 7.919 0.040 1
1 67 . 8 1 1 A 9 9 PHE HA H 9 4.783 4.137 0.646 1
1 72 . 8 1 1 A 9 9 PHE CA C 9 58.261 61.771 -3.510 1
1 73 . 8 1 1 A 9 9 PHE CB C 9 39.190 39.588 -0.398 1
1 74 . 8 1 1 A 9 9 PHE N N 9 118.640 119.144 -0.504 1
1 75 . 8 1 1 A 10 10 THR H H 10 7.897 8.294 -0.397 1
1 76 . 8 1 1 A 10 10 THR HA H 10 4.440 4.060 0.380 1
1 81 . 8 1 1 A 10 10 THR CA C 10 62.056 66.462 -4.406 1
1 82 . 8 1 1 A 10 10 THR CB C 10 70.112 68.849 1.263 1
1 83 . 8 1 1 A 10 10 THR N N 10 112.714 113.872 -1.158 1
1 84 . 8 1 1 A 11 11 TYR H H 11 7.615 8.034 -0.419 1
1 85 . 8 1 1 A 11 11 TYR HA H 11 4.471 4.971 -0.500 1
1 90 . 8 1 1 A 11 11 TYR CA C 11 58.365 56.562 1.803 1
1 91 . 8 1 1 A 11 11 TYR CB C 11 70.116 41.437 28.679 1
1 92 . 8 1 1 A 11 11 TYR N N 11 122.022 121.645 0.377 1
1 93 . 8 1 1 A 12 12 ASP H H 12 7.954 8.629 -0.675 1
1 94 . 8 1 1 A 12 12 ASP HA H 12 4.800 4.887 -0.087 1
1 97 . 8 1 1 A 12 12 ASP CA C 12 53.013 53.541 -0.528 1
1 98 . 8 1 1 A 12 12 ASP CB C 12 39.384 42.002 -2.618 1
1 99 . 8 1 1 A 12 12 ASP N N 12 121.560 126.731 -5.171 1
1 100 . 8 1 1 A 13 13 TYR H H 13 7.949 7.343 0.606 1
1 101 . 8 1 1 A 13 13 TYR HA H 13 4.435 4.518 -0.083 1
1 106 . 8 1 1 A 13 13 TYR CA C 13 59.555 58.233 1.322 1
1 107 . 8 1 1 A 13 13 TYR CB C 13 39.589 37.437 2.152 1
1 108 . 8 1 1 A 13 13 TYR N N 13 121.914 118.977 2.937 1
1 109 . 8 1 1 A 14 14 GLN H H 14 8.173 7.954 0.219 1
1 110 . 8 1 1 A 14 14 GLN HA H 14 4.222 4.084 0.138 1
1 115 . 8 1 1 A 14 14 GLN CA C 14 57.621 59.163 -1.542 1
1 116 . 8 1 1 A 14 14 GLN CB C 14 28.821 28.376 0.445 1
1 117 . 8 1 1 A 14 14 GLN N N 14 119.118 121.521 -2.403 1
1 118 . 8 1 1 A 15 15 SER H H 15 7.888 8.310 -0.422 1
1 119 . 8 1 1 A 15 15 SER HA H 15 4.485 4.328 0.157 1
1 122 . 8 1 1 A 15 15 SER CA C 15 59.326 61.267 -1.941 1
1 123 . 8 1 1 A 15 15 SER CB C 15 64.123 62.956 1.167 1
1 124 . 8 1 1 A 15 15 SER N N 15 114.275 114.604 -0.329 1
1 125 . 8 1 1 A 16 16 LEU H H 16 7.791 8.127 -0.336 1
1 126 . 8 1 1 A 16 16 LEU HA H 16 4.430 4.265 0.165 1
1 136 . 8 1 1 A 16 16 LEU CA C 16 55.849 56.284 -0.435 1
1 137 . 8 1 1 A 16 16 LEU CB C 16 43.036 42.190 0.846 1
1 138 . 8 1 1 A 16 16 LEU N N 16 122.606 123.921 -1.315 1
1 139 . 8 1 1 A 17 17 GLN H H 17 8.281 7.887 0.394 1
1 140 . 8 1 1 A 17 17 GLN HA H 17 4.426 4.169 0.257 1
1 145 . 8 1 1 A 17 17 GLN CA C 17 56.500 58.513 -2.013 1
1 146 . 8 1 1 A 17 17 GLN CB C 17 29.338 28.765 0.573 1
1 147 . 8 1 1 A 17 17 GLN N N 17 120.232 118.651 1.581 1
1 148 . 8 1 1 A 18 18 ILE H H 18 7.807 7.871 -0.064 1
1 149 . 8 1 1 A 18 18 ILE HA H 18 4.238 4.245 -0.007 1
1 159 . 8 1 1 A 18 18 ILE CA C 18 61.932 61.482 0.450 1
1 160 . 8 1 1 A 18 18 ILE CB C 18 38.997 38.230 0.767 1
1 161 . 8 1 1 A 18 18 ILE N N 18 118.727 118.693 0.034 1
1 162 . 8 1 1 A 19 19 GLY H H 19 8.106 8.229 -0.123 1
1 163 . 8 1 1 A 19 19 GLY HA2 H 19 4.054 3.683 0.371 1
1 164 . 8 1 1 A 19 19 GLY HA3 H 19 4.054 3.686 0.368 1
1 165 . 8 1 1 A 19 19 GLY CA C 19 46.338 47.333 -0.995 1
1 166 . 8 1 1 A 19 19 GLY N N 19 109.552 110.228 -0.676 1
1 167 . 8 1 1 A 20 20 GLY H H 20 8.305 8.554 -0.249 1
1 168 . 8 1 1 A 20 20 GLY HA2 H 20 3.877 3.864 0.013 1
1 169 . 8 1 1 A 20 20 GLY HA3 H 20 3.877 3.865 0.012 1
1 170 . 8 1 1 A 20 20 GLY CA C 20 47.746 46.986 0.760 1
1 171 . 8 1 1 A 20 20 GLY N N 20 107.332 108.477 -1.145 1
1 172 . 8 1 1 A 21 21 LEU H H 21 8.046 8.127 -0.081 1
1 173 . 8 1 1 A 21 21 LEU HA H 21 4.172 4.033 0.139 1
1 183 . 8 1 1 A 21 21 LEU CA C 21 58.140 57.735 0.405 1
1 184 . 8 1 1 A 21 21 LEU CB C 21 41.812 41.983 -0.171 1
1 185 . 8 1 1 A 21 21 LEU N N 21 119.906 123.063 -3.157 1
1 186 . 8 1 1 A 22 22 VAL H H 22 7.716 8.256 -0.540 1
1 187 . 8 1 1 A 22 22 VAL HA H 22 3.691 3.464 0.227 1
1 195 . 8 1 1 A 22 22 VAL CA C 22 66.872 66.895 -0.023 1
1 196 . 8 1 1 A 22 22 VAL CB C 22 67.290 31.798 35.492 1
1 197 . 8 1 1 A 22 22 VAL N N 22 117.489 117.456 0.033 1
1 198 . 8 1 1 A 23 23 ILE H H 23 7.707 8.261 -0.554 1
1 199 . 8 1 1 A 23 23 ILE HA H 23 3.679 3.605 0.074 1
1 208 . 8 1 1 A 23 23 ILE CA C 23 65.219 65.966 -0.747 1
1 209 . 8 1 1 A 23 23 ILE CB C 23 39.538 38.106 1.432 1
1 210 . 8 1 1 A 23 23 ILE N N 23 117.900 119.541 -1.641 1
1 211 . 8 1 1 A 24 24 ALA H H 24 8.248 8.959 -0.711 1
1 215 . 8 1 1 A 24 24 ALA CA C 24 55.723 55.459 0.264 1
1 216 . 8 1 1 A 24 24 ALA CB C 24 18.223 18.310 -0.087 1
1 217 . 8 1 1 A 24 24 ALA N N 24 120.166 122.234 -2.068 1
1 218 . 8 1 1 A 25 25 GLY H H 25 8.482 8.172 0.310 1
1 219 . 8 1 1 A 25 25 GLY HA2 H 25 3.781 3.853 -0.072 1
1 220 . 8 1 1 A 25 25 GLY HA3 H 25 3.692 3.893 -0.201 1
1 221 . 8 1 1 A 25 25 GLY CA C 25 47.860 47.428 0.432 1
1 222 . 8 1 1 A 25 25 GLY N N 25 103.943 106.864 -2.921 1
1 223 . 8 1 1 A 26 26 ILE H H 26 8.401 7.829 0.572 1
1 224 . 8 1 1 A 26 26 ILE HA H 26 3.715 3.839 -0.124 1
1 229 . 8 1 1 A 26 26 ILE CA C 26 65.719 64.696 1.023 1
1 230 . 8 1 1 A 26 26 ILE CB C 26 38.043 37.529 0.514 1
1 231 . 8 1 1 A 26 26 ILE N N 26 120.944 122.609 -1.665 1
1 232 . 8 1 1 A 27 27 LEU H H 27 8.303 8.134 0.169 1
1 233 . 8 1 1 A 27 27 LEU HA H 27 4.011 3.958 0.053 1
1 243 . 8 1 1 A 27 27 LEU CA C 27 58.586 58.226 0.360 1
1 244 . 8 1 1 A 27 27 LEU CB C 27 41.728 41.786 -0.058 1
1 245 . 8 1 1 A 27 27 LEU N N 27 118.806 121.160 -2.354 1
1 246 . 8 1 1 A 28 28 PHE H H 28 8.568 7.823 0.745 1
1 247 . 8 1 1 A 28 28 PHE HA H 28 4.238 4.250 -0.012 1
1 252 . 8 1 1 A 28 28 PHE CA C 28 61.596 61.411 0.185 1
1 253 . 8 1 1 A 28 28 PHE CB C 28 39.690 38.627 1.063 1
1 254 . 8 1 1 A 28 28 PHE N N 28 118.499 117.212 1.287 1
1 255 . 8 1 1 A 29 29 ILE H H 29 8.247 8.450 -0.203 1
1 256 . 8 1 1 A 29 29 ILE HA H 29 3.607 3.716 -0.109 1
1 263 . 8 1 1 A 29 29 ILE CA C 29 65.048 65.039 0.009 1
1 264 . 8 1 1 A 29 29 ILE CB C 29 37.293 37.785 -0.492 1
1 265 . 8 1 1 A 29 29 ILE N N 29 117.892 120.376 -2.484 1
1 266 . 8 1 1 A 30 30 LEU H H 30 8.624 8.672 -0.048 1
1 267 . 8 1 1 A 30 30 LEU HA H 30 4.012 3.975 0.037 1
1 277 . 8 1 1 A 30 30 LEU CA C 30 58.624 57.714 0.910 1
1 278 . 8 1 1 A 30 30 LEU CB C 30 42.011 41.669 0.342 1
1 279 . 8 1 1 A 30 30 LEU N N 30 119.146 121.463 -2.317 1
1 280 . 8 1 1 A 31 31 GLY H H 31 8.754 8.449 0.305 1
1 281 . 8 1 1 A 31 31 GLY HA2 H 31 3.643 3.730 -0.087 1
1 282 . 8 1 1 A 31 31 GLY HA3 H 31 3.643 3.744 -0.101 1
1 283 . 8 1 1 A 31 31 GLY CA C 31 48.068 47.404 0.664 1
1 284 . 8 1 1 A 31 31 GLY N N 31 106.000 106.770 -0.770 1
1 285 . 8 1 1 A 32 32 ILE H H 32 8.303 8.796 -0.493 1
1 286 . 8 1 1 A 32 32 ILE HA H 32 3.622 3.834 -0.212 1
1 296 . 8 1 1 A 32 32 ILE CA C 32 65.126 64.675 0.451 1
1 297 . 8 1 1 A 32 32 ILE CB C 32 39.126 37.684 1.442 1
1 298 . 8 1 1 A 32 32 ILE N N 32 120.840 122.487 -1.647 1
1 299 . 8 1 1 A 33 33 LEU H H 33 8.388 8.098 0.290 1
1 300 . 8 1 1 A 33 33 LEU HA H 33 4.042 4.022 0.020 1
1 310 . 8 1 1 A 33 33 LEU CA C 33 58.672 58.143 0.529 1
1 311 . 8 1 1 A 33 33 LEU CB C 33 40.359 41.592 -1.233 1
1 312 . 8 1 1 A 33 33 LEU N N 33 119.523 119.396 0.127 1
1 313 . 8 1 1 A 34 34 ILE H H 34 8.703 8.610 0.093 1
1 314 . 8 1 1 A 34 34 ILE HA H 34 3.685 3.546 0.139 1
1 319 . 8 1 1 A 34 34 ILE CA C 34 66.120 65.444 0.676 1
1 320 . 8 1 1 A 34 34 ILE CB C 34 37.627 37.726 -0.099 1
1 321 . 8 1 1 A 34 34 ILE N N 34 120.906 119.740 1.166 1
1 322 . 8 1 1 A 35 35 VAL H H 35 8.359 8.188 0.171 1
1 323 . 8 1 1 A 35 35 VAL HA H 35 3.690 3.621 0.069 1
1 331 . 8 1 1 A 35 35 VAL CA C 35 67.546 66.766 0.780 1
1 332 . 8 1 1 A 35 35 VAL CB C 35 31.619 31.810 -0.191 1
1 333 . 8 1 1 A 35 35 VAL N N 35 120.794 119.197 1.597 1
1 334 . 8 1 1 A 36 36 LEU H H 36 9.002 8.172 0.830 1
1 335 . 8 1 1 A 36 36 LEU HA H 36 4.095 4.059 0.036 1
1 345 . 8 1 1 A 36 36 LEU CA C 36 58.589 57.702 0.887 1
1 346 . 8 1 1 A 36 36 LEU CB C 36 42.017 40.765 1.252 1
1 347 . 8 1 1 A 36 36 LEU N N 36 119.433 117.927 1.506 1
1 348 . 8 1 1 A 37 37 SER H H 37 8.585 8.163 0.422 1
1 349 . 8 1 1 A 37 37 SER HA H 37 4.632 4.112 0.520 1
1 352 . 8 1 1 A 37 37 SER CA C 37 62.896 62.021 0.875 1
1 353 . 8 1 1 A 37 37 SER CB C 37 63.973 62.840 1.133 1
1 354 . 8 1 1 A 37 37 SER N N 37 115.400 114.430 0.970 1
1 355 . 8 1 1 A 38 38 ARG H H 38 8.180 7.851 0.329 1
1 356 . 8 1 1 A 38 38 ARG HA H 38 4.218 4.107 0.111 1
1 363 . 8 1 1 A 38 38 ARG CA C 38 59.259 59.223 0.036 1
1 364 . 8 1 1 A 38 38 ARG CB C 38 30.751 29.984 0.767 1
1 365 . 8 1 1 A 38 38 ARG N N 38 121.516 122.366 -0.850 1
1 366 . 8 1 1 A 39 39 ARG H H 39 8.362 7.861 0.501 1
1 367 . 8 1 1 A 39 39 ARG HA H 39 4.373 4.076 0.297 1
1 374 . 8 1 1 A 39 39 ARG CA C 39 58.095 58.949 -0.854 1
1 375 . 8 1 1 A 39 39 ARG CB C 39 30.581 30.015 0.566 1
1 376 . 8 1 1 A 39 39 ARG N N 39 117.803 119.427 -1.624 1
1 377 . 8 1 1 A 40 40 CYS H H 40 8.423 8.190 0.233 1
1 378 . 8 1 1 A 40 40 CYS HA H 40 4.447 4.147 0.300 1
1 381 . 8 1 1 A 40 40 CYS CA C 40 61.514 63.866 -2.352 1
1 382 . 8 1 1 A 40 40 CYS CB C 40 28.091 26.692 1.399 1
1 383 . 8 1 1 A 40 40 CYS N N 40 116.351 118.412 -2.061 1
1 384 . 8 1 1 A 41 41 ARG H H 41 8.095 7.759 0.336 1
1 385 . 8 1 1 A 41 41 ARG HA H 41 4.204 4.163 0.041 1
1 392 . 8 1 1 A 41 41 ARG CA C 41 58.876 59.825 -0.949 1
1 393 . 8 1 1 A 41 41 ARG CB C 41 30.227 30.164 0.063 1
1 394 . 8 1 1 A 41 41 ARG N N 41 119.841 119.309 0.532 1
1 395 . 8 1 1 A 42 42 CYS H H 42 8.061 7.761 0.300 1
1 396 . 8 1 1 A 42 42 CYS HA H 42 4.435 4.407 0.028 1
1 399 . 8 1 1 A 42 42 CYS CA C 42 60.508 62.238 -1.730 1
1 400 . 8 1 1 A 42 42 CYS CB C 42 27.409 27.231 0.178 1
1 401 . 8 1 1 A 42 42 CYS N N 42 116.220 118.148 -1.928 1
1 402 . 8 1 1 A 43 43 LYS H H 43 7.936 8.254 -0.318 1
1 403 . 8 1 1 A 43 43 LYS HA H 43 4.244 4.185 0.059 1
1 408 . 8 1 1 A 43 43 LYS CA C 43 57.480 57.986 -0.506 1
1 409 . 8 1 1 A 43 43 LYS CB C 43 32.888 32.273 0.615 1
1 410 . 8 1 1 A 43 43 LYS N N 43 120.337 119.832 0.505 1
1 411 . 8 1 1 A 44 44 PHE H H 44 7.966 8.422 -0.456 1
1 412 . 8 1 1 A 44 44 PHE HA H 44 4.664 4.060 0.604 1
1 417 . 8 1 1 A 44 44 PHE CA C 44 58.606 61.758 -3.152 1
1 418 . 8 1 1 A 44 44 PHE CB C 44 39.452 39.078 0.374 1
1 419 . 8 1 1 A 44 44 PHE N N 44 118.202 121.410 -3.208 1
1 420 . 8 1 1 A 45 45 ASN H H 45 8.147 7.875 0.272 1
1 421 . 8 1 1 A 45 45 ASN HA H 45 4.771 4.580 0.191 1
1 426 . 8 1 1 A 45 45 ASN CA C 45 53.951 53.124 0.827 1
1 427 . 8 1 1 A 45 45 ASN CB C 45 39.301 38.731 0.570 1
1 428 . 8 1 1 A 45 45 ASN N N 45 118.296 115.243 3.053 1
1 430 . 8 1 1 A 46 46 GLN H H 46 8.209 8.486 -0.277 1
1 431 . 8 1 1 A 46 46 GLN HA H 46 4.344 3.975 0.369 1
1 436 . 8 1 1 A 46 46 GLN CA C 46 56.832 58.541 -1.709 1
1 437 . 8 1 1 A 46 46 GLN CB C 46 29.314 27.980 1.334 1
1 438 . 8 1 1 A 46 46 GLN N N 46 119.469 124.618 -5.149 1
1 439 . 8 1 1 A 47 47 GLN H H 47 8.221 8.182 0.039 1
1 440 . 8 1 1 A 47 47 GLN CA C 47 56.832 58.820 -1.988 1
1 441 . 8 1 1 A 47 47 GLN CB C 47 29.314 27.937 1.377 1
1 442 . 8 1 1 A 47 47 GLN N N 47 119.452 118.573 0.879 1
1 443 . 8 1 1 A 48 48 GLN H H 48 8.058 7.645 0.413 1
1 444 . 8 1 1 A 48 48 GLN HA H 48 4.394 4.106 0.288 1
1 449 . 8 1 1 A 48 48 GLN CA C 48 56.600 58.710 -2.110 1
1 450 . 8 1 1 A 48 48 GLN CB C 48 29.578 28.994 0.584 1
1 451 . 8 1 1 A 48 48 GLN N N 48 119.642 119.303 0.339 1
1 452 . 8 1 1 A 49 49 ARG H H 49 8.255 7.140 1.115 1
1 453 . 8 1 1 A 49 49 ARG HA H 49 4.475 4.566 -0.091 1
1 460 . 8 1 1 A 49 49 ARG CA C 49 56.569 54.868 1.701 1
1 461 . 8 1 1 A 49 49 ARG CB C 49 30.919 31.677 -0.758 1
1 462 . 8 1 1 A 49 49 ARG N N 49 121.599 118.111 3.488 1
1 463 . 8 1 1 A 50 50 THR H H 50 8.113 8.389 -0.276 1
1 464 . 8 1 1 A 50 50 THR HA H 50 4.438 4.466 -0.028 1
1 469 . 8 1 1 A 50 50 THR CA C 50 62.130 60.794 1.336 1
1 470 . 8 1 1 A 50 50 THR CB C 50 70.380 69.687 0.693 1
1 471 . 8 1 1 A 50 50 THR N N 50 113.660 114.673 -1.013 1
1 472 . 8 1 1 A 51 51 GLY H H 51 8.296 8.642 -0.346 1
1 473 . 8 1 1 A 51 51 GLY HA2 H 51 4.060 3.989 0.071 1
1 474 . 8 1 1 A 51 51 GLY HA3 H 51 4.060 4.000 0.060 1
1 475 . 8 1 1 A 51 51 GLY CA C 51 45.374 46.589 -1.215 1
1 476 . 8 1 1 A 51 51 GLY N N 51 110.876 109.091 1.785 1
1 477 . 8 1 1 A 52 52 GLU H H 52 8.153 8.715 -0.562 1
1 478 . 8 1 1 A 52 52 GLU HA H 52 4.729 4.801 -0.072 1
1 483 . 8 1 1 A 52 52 GLU CA C 52 54.072 53.490 0.582 1
1 484 . 8 1 1 A 52 52 GLU CB C 52 29.347 30.139 -0.792 1
1 485 . 8 1 1 A 52 52 GLU N N 52 120.834 122.927 -2.093 1
1 486 . 8 1 1 A 53 53 PRO HA H 53 4.495 4.403 0.092 1
1 493 . 8 1 1 A 53 53 PRO CA C 53 63.749 63.225 0.524 1
1 494 . 8 1 1 A 53 53 PRO CB C 53 32.309 31.992 0.317 1
1 495 . 8 1 1 A 54 54 ASP H H 54 8.402 8.358 0.044 1
1 496 . 8 1 1 A 54 54 ASP HA H 54 4.677 4.971 -0.294 1
1 499 . 8 1 1 A 54 54 ASP CA C 54 54.210 52.823 1.387 1
1 500 . 8 1 1 A 54 54 ASP CB C 54 40.375 43.146 -2.771 1
1 501 . 8 1 1 A 54 54 ASP N N 54 119.287 119.215 0.072 1
1 502 . 8 1 1 A 55 55 GLU H H 55 8.249 8.930 -0.681 1
1 503 . 8 1 1 A 55 55 GLU HA H 55 4.650 4.516 0.134 1
1 508 . 8 1 1 A 55 55 GLU CA C 55 56.397 56.144 0.253 1
1 509 . 8 1 1 A 55 55 GLU CB C 55 29.461 29.514 -0.053 1
1 510 . 8 1 1 A 55 55 GLU N N 55 120.671 119.841 0.830 1
1 511 . 8 1 1 A 56 56 GLU H H 56 8.257 8.314 -0.057 1
1 512 . 8 1 1 A 56 56 GLU HA H 56 4.396 3.952 0.444 1
1 517 . 8 1 1 A 56 56 GLU CA C 56 56.414 57.945 -1.531 1
1 518 . 8 1 1 A 56 56 GLU CB C 56 29.461 29.278 0.183 1
1 519 . 8 1 1 A 56 56 GLU N N 56 119.852 118.034 1.818 1
1 520 . 8 1 1 A 57 57 GLU H H 57 8.311 7.847 0.464 1
1 521 . 8 1 1 A 57 57 GLU HA H 57 4.453 4.801 -0.348 1
1 526 . 8 1 1 A 57 57 GLU CA C 57 56.350 54.941 1.409 1
1 527 . 8 1 1 A 57 57 GLU CB C 57 29.959 32.471 -2.512 1
1 528 . 8 1 1 A 57 57 GLU N N 57 121.046 120.264 0.782 1
1 529 . 8 1 1 A 58 58 GLY H H 58 8.407 8.400 0.007 1
1 530 . 8 1 1 A 58 58 GLY HA2 H 58 4.190 3.979 0.211 1
1 531 . 8 1 1 A 58 58 GLY HA3 H 58 4.190 4.045 0.145 1
1 532 . 8 1 1 A 58 58 GLY CA C 58 45.841 45.184 0.657 1
1 533 . 8 1 1 A 58 58 GLY N N 58 109.873 109.043 0.830 1
1 534 . 8 1 1 A 59 59 THR H H 59 8.141 7.515 0.626 1
1 535 . 8 1 1 A 59 59 THR HA H 59 4.348 3.807 0.541 1
1 540 . 8 1 1 A 59 59 THR CA C 59 63.622 65.185 -1.563 1
1 541 . 8 1 1 A 59 59 THR CB C 59 70.393 67.732 2.661 1
1 542 . 8 1 1 A 59 59 THR N N 59 114.486 120.241 -5.755 1
1 543 . 8 1 1 A 60 60 PHE H H 60 8.651 8.002 0.649 1
1 544 . 8 1 1 A 60 60 PHE HA H 60 4.439 3.994 0.445 1
1 549 . 8 1 1 A 60 60 PHE CA C 60 61.359 61.458 -0.099 1
1 550 . 8 1 1 A 60 60 PHE CB C 60 38.960 39.148 -0.188 1
1 551 . 8 1 1 A 60 60 PHE N N 60 123.173 121.706 1.467 1
1 552 . 8 1 1 A 61 61 ARG H H 61 8.247 8.401 -0.154 1
1 553 . 8 1 1 A 61 61 ARG HA H 61 3.932 3.934 -0.002 1
1 560 . 8 1 1 A 61 61 ARG CA C 61 59.472 60.166 -0.694 1
1 561 . 8 1 1 A 61 61 ARG CB C 61 30.162 29.863 0.299 1
1 562 . 8 1 1 A 61 61 ARG N N 61 118.197 118.928 -0.731 1
1 563 . 8 1 1 A 62 62 SER H H 62 8.098 7.741 0.357 1
1 564 . 8 1 1 A 62 62 SER HA H 62 4.313 4.178 0.135 1
1 567 . 8 1 1 A 62 62 SER CA C 62 61.112 61.436 -0.324 1
1 568 . 8 1 1 A 62 62 SER CB C 62 63.426 62.284 1.142 1
1 569 . 8 1 1 A 62 62 SER N N 62 113.309 115.362 -2.053 1
1 570 . 8 1 1 A 63 63 SER H H 63 8.050 7.595 0.455 1
1 571 . 8 1 1 A 63 63 SER HA H 63 4.361 4.086 0.275 1
1 574 . 8 1 1 A 63 63 SER CA C 63 61.816 61.931 -0.115 1
1 575 . 8 1 1 A 63 63 SER CB C 63 64.359 62.642 1.717 1
1 576 . 8 1 1 A 63 63 SER N N 63 118.744 115.839 2.905 1
1 577 . 8 1 1 A 64 64 ILE H H 64 7.813 7.535 0.278 1
1 578 . 8 1 1 A 64 64 ILE HA H 64 3.936 3.535 0.401 1
1 588 . 8 1 1 A 64 64 ILE CA C 64 63.557 65.123 -1.566 1
1 589 . 8 1 1 A 64 64 ILE CB C 64 37.482 37.096 0.386 1
1 590 . 8 1 1 A 64 64 ILE N N 64 120.616 121.427 -0.811 1
1 591 . 8 1 1 A 65 65 ARG H H 65 7.863 8.038 -0.175 1
1 592 . 8 1 1 A 65 65 ARG HA H 65 4.207 4.005 0.202 1
1 600 . 8 1 1 A 65 65 ARG CA C 65 58.617 58.617 0.000 1
1 601 . 8 1 1 A 65 65 ARG CB C 65 30.088 29.584 0.504 1
1 602 . 8 1 1 A 65 65 ARG N N 65 120.278 120.818 -0.540 1
1 603 . 8 1 1 A 66 66 ARG H H 66 7.934 7.642 0.292 1
1 604 . 8 1 1 A 66 66 ARG HA H 66 4.251 4.054 0.197 1
1 611 . 8 1 1 A 66 66 ARG CA C 66 58.512 58.652 -0.140 1
1 612 . 8 1 1 A 66 66 ARG CB C 66 30.618 30.180 0.438 1
1 613 . 8 1 1 A 66 66 ARG N N 66 119.070 119.579 -0.509 1
1 614 . 8 1 1 A 67 67 LEU H H 67 8.014 8.515 -0.501 1
1 615 . 8 1 1 A 67 67 LEU HA H 67 4.259 4.080 0.179 1
1 625 . 8 1 1 A 67 67 LEU CA C 67 57.012 57.531 -0.519 1
1 626 . 8 1 1 A 67 67 LEU CB C 67 42.398 41.034 1.364 1
1 627 . 8 1 1 A 67 67 LEU N N 67 119.999 119.817 0.182 1
1 628 . 8 1 1 A 68 68 SER H H 68 8.091 8.333 -0.242 1
1 629 . 8 1 1 A 68 68 SER HA H 68 4.352 4.178 0.174 1
1 632 . 8 1 1 A 68 68 SER CA C 68 60.421 61.469 -1.048 1
1 633 . 8 1 1 A 68 68 SER CB C 68 63.997 62.035 1.962 1
1 634 . 8 1 1 A 68 68 SER N N 68 113.037 113.522 -0.485 1
1 635 . 8 1 1 A 69 69 THR H H 69 7.765 7.704 0.061 1
1 640 . 8 1 1 A 69 69 THR CA C 69 63.075 64.631 -1.556 1
1 641 . 8 1 1 A 69 69 THR CB C 69 69.994 70.138 -0.144 1
1 642 . 8 1 1 A 69 69 THR N N 69 113.132 116.008 -2.876 1
1 643 . 8 1 1 A 70 70 ARG H H 70 7.915 8.682 -0.767 1
1 644 . 8 1 1 A 70 70 ARG HA H 70 4.402 4.151 0.251 1
1 651 . 8 1 1 A 70 70 ARG CA C 70 57.068 59.157 -2.089 1
1 652 . 8 1 1 A 70 70 ARG CB C 70 30.778 29.727 1.051 1
1 653 . 8 1 1 A 70 70 ARG N N 70 121.113 120.583 0.530 1
1 654 . 8 1 1 A 71 71 ARG H H 71 7.891 8.490 -0.599 1
1 655 . 8 1 1 A 71 71 ARG HA H 71 4.421 4.122 0.299 1
1 662 . 8 1 1 A 71 71 ARG CA C 71 56.407 58.767 -2.360 1
1 663 . 8 1 1 A 71 71 ARG CB C 71 31.156 30.663 0.493 1
1 664 . 8 1 1 A 71 71 ARG N N 71 118.899 119.674 -0.775 1
1 8 . 9 1 1 A 2 2 SER H H 2 8.707 8.663 0.044 1
1 9 . 9 1 1 A 2 2 SER HA H 2 4.638 4.048 0.590 1
1 12 . 9 1 1 A 2 2 SER CA C 2 56.699 58.719 -2.020 1
1 13 . 9 1 1 A 2 2 SER CB C 2 63.978 61.655 2.323 1
1 14 . 9 1 1 A 2 2 SER N N 2 118.975 112.663 6.312 1
1 15 . 9 1 1 A 3 3 PRO HA H 3 4.533 4.384 0.149 1
1 22 . 9 1 1 A 3 3 PRO CA C 3 64.301 64.265 0.036 1
1 23 . 9 1 1 A 3 3 PRO CB C 3 32.998 31.865 1.133 1
1 24 . 9 1 1 A 4 4 LYS H H 4 8.117 8.493 -0.376 1
1 25 . 9 1 1 A 4 4 LYS HA H 4 4.314 4.047 0.267 1
1 32 . 9 1 1 A 4 4 LYS CA C 4 56.918 57.840 -0.922 1
1 33 . 9 1 1 A 4 4 LYS CB C 4 33.010 32.233 0.777 1
1 34 . 9 1 1 A 4 4 LYS N N 4 118.277 116.898 1.379 1
1 35 . 9 1 1 A 5 5 GLU HA H 5 4.302 4.010 0.292 1
1 40 . 9 1 1 A 5 5 GLU CA C 5 56.505 54.383 2.122 1
1 41 . 9 1 1 A 5 5 GLU CB C 5 38.736 30.473 8.263 1
1 42 . 9 1 1 A 6 6 HIS H H 6 8.075 8.208 -0.133 1
1 43 . 9 1 1 A 6 6 HIS HA H 6 4.352 4.838 -0.486 1
1 47 . 9 1 1 A 6 6 HIS CA C 6 55.000 56.062 -1.062 1
1 48 . 9 1 1 A 6 6 HIS CB C 6 29.504 32.050 -2.546 1
1 49 . 9 1 1 A 6 6 HIS N N 6 117.435 119.061 -1.626 1
1 50 . 9 1 1 A 7 7 ASP H H 7 8.249 9.316 -1.067 1
1 51 . 9 1 1 A 7 7 ASP HA H 7 4.796 4.439 0.357 1
1 54 . 9 1 1 A 7 7 ASP CA C 7 51.877 59.422 -7.545 1
1 55 . 9 1 1 A 7 7 ASP CB C 7 39.384 38.742 0.642 1
1 56 . 9 1 1 A 7 7 ASP N N 7 120.163 123.176 -3.013 1
1 57 . 9 1 1 A 8 8 PRO HA H 8 4.458 4.613 -0.155 1
1 64 . 9 1 1 A 8 8 PRO CA C 8 63.863 65.246 -1.383 1
1 65 . 9 1 1 A 8 8 PRO CB C 8 32.512 31.784 0.728 1
1 66 . 9 1 1 A 9 9 PHE H H 9 7.959 7.838 0.121 1
1 67 . 9 1 1 A 9 9 PHE HA H 9 4.783 4.170 0.613 1
1 72 . 9 1 1 A 9 9 PHE CA C 9 58.261 61.807 -3.546 1
1 73 . 9 1 1 A 9 9 PHE CB C 9 39.190 39.572 -0.382 1
1 74 . 9 1 1 A 9 9 PHE N N 9 118.640 119.490 -0.850 1
1 75 . 9 1 1 A 10 10 THR H H 10 7.897 8.159 -0.262 1
1 76 . 9 1 1 A 10 10 THR HA H 10 4.440 3.932 0.508 1
1 81 . 9 1 1 A 10 10 THR CA C 10 62.056 66.205 -4.149 1
1 82 . 9 1 1 A 10 10 THR CB C 10 70.112 68.474 1.638 1
1 83 . 9 1 1 A 10 10 THR N N 10 112.714 113.656 -0.942 1
1 84 . 9 1 1 A 11 11 TYR H H 11 7.615 8.060 -0.445 1
1 85 . 9 1 1 A 11 11 TYR HA H 11 4.471 5.224 -0.753 1
1 90 . 9 1 1 A 11 11 TYR CA C 11 58.365 57.002 1.363 1
1 91 . 9 1 1 A 11 11 TYR CB C 11 70.116 41.194 28.922 1
1 92 . 9 1 1 A 11 11 TYR N N 11 122.022 117.112 4.910 1
1 93 . 9 1 1 A 12 12 ASP H H 12 7.954 9.159 -1.205 1
1 94 . 9 1 1 A 12 12 ASP HA H 12 4.800 4.945 -0.145 1
1 97 . 9 1 1 A 12 12 ASP CA C 12 53.013 54.161 -1.148 1
1 98 . 9 1 1 A 12 12 ASP CB C 12 39.384 41.738 -2.354 1
1 99 . 9 1 1 A 12 12 ASP N N 12 121.560 124.166 -2.606 1
1 100 . 9 1 1 A 13 13 TYR H H 13 7.949 8.148 -0.199 1
1 101 . 9 1 1 A 13 13 TYR HA H 13 4.435 4.668 -0.233 1
1 106 . 9 1 1 A 13 13 TYR CA C 13 59.555 58.632 0.923 1
1 107 . 9 1 1 A 13 13 TYR CB C 13 39.589 37.837 1.752 1
1 108 . 9 1 1 A 13 13 TYR N N 13 121.914 117.737 4.177 1
1 109 . 9 1 1 A 14 14 GLN H H 14 8.173 8.044 0.129 1
1 110 . 9 1 1 A 14 14 GLN HA H 14 4.222 4.013 0.209 1
1 115 . 9 1 1 A 14 14 GLN CA C 14 57.621 59.139 -1.518 1
1 116 . 9 1 1 A 14 14 GLN CB C 14 28.821 28.379 0.442 1
1 117 . 9 1 1 A 14 14 GLN N N 14 119.118 121.575 -2.457 1
1 118 . 9 1 1 A 15 15 SER H H 15 7.888 7.974 -0.086 1
1 119 . 9 1 1 A 15 15 SER HA H 15 4.485 4.318 0.167 1
1 122 . 9 1 1 A 15 15 SER CA C 15 59.326 61.087 -1.761 1
1 123 . 9 1 1 A 15 15 SER CB C 15 64.123 63.037 1.086 1
1 124 . 9 1 1 A 15 15 SER N N 15 114.275 114.704 -0.429 1
1 125 . 9 1 1 A 16 16 LEU H H 16 7.791 8.269 -0.478 1
1 126 . 9 1 1 A 16 16 LEU HA H 16 4.430 4.181 0.249 1
1 136 . 9 1 1 A 16 16 LEU CA C 16 55.849 56.853 -1.004 1
1 137 . 9 1 1 A 16 16 LEU CB C 16 43.036 42.347 0.689 1
1 138 . 9 1 1 A 16 16 LEU N N 16 122.606 122.931 -0.325 1
1 139 . 9 1 1 A 17 17 GLN H H 17 8.281 7.795 0.486 1
1 140 . 9 1 1 A 17 17 GLN HA H 17 4.426 4.125 0.301 1
1 145 . 9 1 1 A 17 17 GLN CA C 17 56.500 58.346 -1.846 1
1 146 . 9 1 1 A 17 17 GLN CB C 17 29.338 28.791 0.547 1
1 147 . 9 1 1 A 17 17 GLN N N 17 120.232 117.625 2.607 1
1 148 . 9 1 1 A 18 18 ILE H H 18 7.807 7.770 0.037 1
1 149 . 9 1 1 A 18 18 ILE HA H 18 4.238 4.135 0.103 1
1 159 . 9 1 1 A 18 18 ILE CA C 18 61.932 63.176 -1.244 1
1 160 . 9 1 1 A 18 18 ILE CB C 18 38.997 38.458 0.539 1
1 161 . 9 1 1 A 18 18 ILE N N 18 118.727 118.833 -0.106 1
1 162 . 9 1 1 A 19 19 GLY H H 19 8.106 7.979 0.127 1
1 163 . 9 1 1 A 19 19 GLY HA2 H 19 4.054 3.752 0.302 1
1 164 . 9 1 1 A 19 19 GLY HA3 H 19 4.054 3.757 0.297 1
1 165 . 9 1 1 A 19 19 GLY CA C 19 46.338 47.361 -1.023 1
1 166 . 9 1 1 A 19 19 GLY N N 19 109.552 109.443 0.109 1
1 167 . 9 1 1 A 20 20 GLY H H 20 8.305 8.544 -0.239 1
1 168 . 9 1 1 A 20 20 GLY HA2 H 20 3.877 3.856 0.021 1
1 169 . 9 1 1 A 20 20 GLY HA3 H 20 3.877 3.858 0.019 1
1 170 . 9 1 1 A 20 20 GLY CA C 20 47.746 46.991 0.755 1
1 171 . 9 1 1 A 20 20 GLY N N 20 107.332 108.003 -0.671 1
1 172 . 9 1 1 A 21 21 LEU H H 21 8.046 8.062 -0.016 1
1 173 . 9 1 1 A 21 21 LEU HA H 21 4.172 4.013 0.159 1
1 183 . 9 1 1 A 21 21 LEU CA C 21 58.140 57.690 0.450 1
1 184 . 9 1 1 A 21 21 LEU CB C 21 41.812 41.813 -0.001 1
1 185 . 9 1 1 A 21 21 LEU N N 21 119.906 123.049 -3.143 1
1 186 . 9 1 1 A 22 22 VAL H H 22 7.716 8.403 -0.687 1
1 187 . 9 1 1 A 22 22 VAL HA H 22 3.691 3.483 0.208 1
1 195 . 9 1 1 A 22 22 VAL CA C 22 66.872 67.124 -0.252 1
1 196 . 9 1 1 A 22 22 VAL CB C 22 67.290 31.620 35.670 1
1 197 . 9 1 1 A 22 22 VAL N N 22 117.489 117.482 0.007 1
1 198 . 9 1 1 A 23 23 ILE H H 23 7.707 7.958 -0.251 1
1 199 . 9 1 1 A 23 23 ILE HA H 23 3.679 3.835 -0.156 1
1 208 . 9 1 1 A 23 23 ILE CA C 23 65.219 64.218 1.001 1
1 209 . 9 1 1 A 23 23 ILE CB C 23 39.538 37.359 2.179 1
1 210 . 9 1 1 A 23 23 ILE N N 23 117.900 119.811 -1.911 1
1 211 . 9 1 1 A 24 24 ALA H H 24 8.248 8.272 -0.024 1
1 215 . 9 1 1 A 24 24 ALA CA C 24 55.723 55.415 0.308 1
1 216 . 9 1 1 A 24 24 ALA CB C 24 18.223 18.513 -0.290 1
1 217 . 9 1 1 A 24 24 ALA N N 24 120.166 123.854 -3.688 1
1 218 . 9 1 1 A 25 25 GLY H H 25 8.482 8.123 0.359 1
1 219 . 9 1 1 A 25 25 GLY HA2 H 25 3.781 3.807 -0.026 1
1 220 . 9 1 1 A 25 25 GLY HA3 H 25 3.692 3.810 -0.118 1
1 221 . 9 1 1 A 25 25 GLY CA C 25 47.860 47.473 0.387 1
1 222 . 9 1 1 A 25 25 GLY N N 25 103.943 105.341 -1.398 1
1 223 . 9 1 1 A 26 26 ILE H H 26 8.401 7.979 0.422 1
1 224 . 9 1 1 A 26 26 ILE HA H 26 3.715 3.845 -0.130 1
1 229 . 9 1 1 A 26 26 ILE CA C 26 65.719 64.712 1.007 1
1 230 . 9 1 1 A 26 26 ILE CB C 26 38.043 37.545 0.498 1
1 231 . 9 1 1 A 26 26 ILE N N 26 120.944 122.779 -1.835 1
1 232 . 9 1 1 A 27 27 LEU H H 27 8.303 8.102 0.201 1
1 233 . 9 1 1 A 27 27 LEU HA H 27 4.011 4.017 -0.006 1
1 243 . 9 1 1 A 27 27 LEU CA C 27 58.586 58.425 0.161 1
1 244 . 9 1 1 A 27 27 LEU CB C 27 41.728 41.909 -0.181 1
1 245 . 9 1 1 A 27 27 LEU N N 27 118.806 121.212 -2.406 1
1 246 . 9 1 1 A 28 28 PHE H H 28 8.568 7.955 0.613 1
1 247 . 9 1 1 A 28 28 PHE HA H 28 4.238 4.267 -0.029 1
1 252 . 9 1 1 A 28 28 PHE CA C 28 61.596 61.433 0.163 1
1 253 . 9 1 1 A 28 28 PHE CB C 28 39.690 38.554 1.136 1
1 254 . 9 1 1 A 28 28 PHE N N 28 118.499 116.925 1.574 1
1 255 . 9 1 1 A 29 29 ILE H H 29 8.247 8.421 -0.174 1
1 256 . 9 1 1 A 29 29 ILE HA H 29 3.607 3.706 -0.099 1
1 263 . 9 1 1 A 29 29 ILE CA C 29 65.048 64.920 0.128 1
1 264 . 9 1 1 A 29 29 ILE CB C 29 37.293 37.692 -0.399 1
1 265 . 9 1 1 A 29 29 ILE N N 29 117.892 120.415 -2.523 1
1 266 . 9 1 1 A 30 30 LEU H H 30 8.624 8.788 -0.164 1
1 267 . 9 1 1 A 30 30 LEU HA H 30 4.012 3.982 0.030 1
1 277 . 9 1 1 A 30 30 LEU CA C 30 58.624 57.753 0.871 1
1 278 . 9 1 1 A 30 30 LEU CB C 30 42.011 41.687 0.324 1
1 279 . 9 1 1 A 30 30 LEU N N 30 119.146 121.567 -2.421 1
1 280 . 9 1 1 A 31 31 GLY H H 31 8.754 8.390 0.364 1
1 281 . 9 1 1 A 31 31 GLY HA2 H 31 3.643 3.681 -0.038 1
1 282 . 9 1 1 A 31 31 GLY HA3 H 31 3.643 3.720 -0.077 1
1 283 . 9 1 1 A 31 31 GLY CA C 31 48.068 47.394 0.674 1
1 284 . 9 1 1 A 31 31 GLY N N 31 106.000 106.757 -0.757 1
1 285 . 9 1 1 A 32 32 ILE H H 32 8.303 8.652 -0.349 1
1 286 . 9 1 1 A 32 32 ILE HA H 32 3.622 3.808 -0.186 1
1 296 . 9 1 1 A 32 32 ILE CA C 32 65.126 64.648 0.478 1
1 297 . 9 1 1 A 32 32 ILE CB C 32 39.126 37.812 1.314 1
1 298 . 9 1 1 A 32 32 ILE N N 32 120.840 122.447 -1.607 1
1 299 . 9 1 1 A 33 33 LEU H H 33 8.388 8.103 0.285 1
1 300 . 9 1 1 A 33 33 LEU HA H 33 4.042 4.041 0.001 1
1 310 . 9 1 1 A 33 33 LEU CA C 33 58.672 58.113 0.559 1
1 311 . 9 1 1 A 33 33 LEU CB C 33 40.359 41.498 -1.139 1
1 312 . 9 1 1 A 33 33 LEU N N 33 119.523 119.344 0.179 1
1 313 . 9 1 1 A 34 34 ILE H H 34 8.703 8.665 0.038 1
1 314 . 9 1 1 A 34 34 ILE HA H 34 3.685 3.555 0.130 1
1 319 . 9 1 1 A 34 34 ILE CA C 34 66.120 65.445 0.675 1
1 320 . 9 1 1 A 34 34 ILE CB C 34 37.627 37.735 -0.108 1
1 321 . 9 1 1 A 34 34 ILE N N 34 120.906 119.976 0.930 1
1 322 . 9 1 1 A 35 35 VAL H H 35 8.359 8.165 0.194 1
1 323 . 9 1 1 A 35 35 VAL HA H 35 3.690 3.612 0.078 1
1 331 . 9 1 1 A 35 35 VAL CA C 35 67.546 66.771 0.775 1
1 332 . 9 1 1 A 35 35 VAL CB C 35 31.619 31.782 -0.163 1
1 333 . 9 1 1 A 35 35 VAL N N 35 120.794 119.183 1.611 1
1 334 . 9 1 1 A 36 36 LEU H H 36 9.002 8.210 0.792 1
1 335 . 9 1 1 A 36 36 LEU HA H 36 4.095 4.051 0.044 1
1 345 . 9 1 1 A 36 36 LEU CA C 36 58.589 57.848 0.741 1
1 346 . 9 1 1 A 36 36 LEU CB C 36 42.017 40.861 1.156 1
1 347 . 9 1 1 A 36 36 LEU N N 36 119.433 117.864 1.569 1
1 348 . 9 1 1 A 37 37 SER H H 37 8.585 8.267 0.318 1
1 349 . 9 1 1 A 37 37 SER HA H 37 4.632 4.132 0.500 1
1 352 . 9 1 1 A 37 37 SER CA C 37 62.896 62.052 0.844 1
1 353 . 9 1 1 A 37 37 SER CB C 37 63.973 62.822 1.151 1
1 354 . 9 1 1 A 37 37 SER N N 37 115.400 114.456 0.944 1
1 355 . 9 1 1 A 38 38 ARG H H 38 8.180 7.896 0.284 1
1 356 . 9 1 1 A 38 38 ARG HA H 38 4.218 4.153 0.065 1
1 363 . 9 1 1 A 38 38 ARG CA C 38 59.259 59.211 0.048 1
1 364 . 9 1 1 A 38 38 ARG CB C 38 30.751 29.959 0.792 1
1 365 . 9 1 1 A 38 38 ARG N N 38 121.516 122.281 -0.765 1
1 366 . 9 1 1 A 39 39 ARG H H 39 8.362 7.785 0.577 1
1 367 . 9 1 1 A 39 39 ARG HA H 39 4.373 4.091 0.282 1
1 374 . 9 1 1 A 39 39 ARG CA C 39 58.095 59.200 -1.105 1
1 375 . 9 1 1 A 39 39 ARG CB C 39 30.581 29.830 0.751 1
1 376 . 9 1 1 A 39 39 ARG N N 39 117.803 118.705 -0.902 1
1 377 . 9 1 1 A 40 40 CYS H H 40 8.423 8.414 0.009 1
1 378 . 9 1 1 A 40 40 CYS HA H 40 4.447 4.077 0.370 1
1 381 . 9 1 1 A 40 40 CYS CA C 40 61.514 62.378 -0.864 1
1 382 . 9 1 1 A 40 40 CYS CB C 40 28.091 27.532 0.559 1
1 383 . 9 1 1 A 40 40 CYS N N 40 116.351 118.885 -2.534 1
1 384 . 9 1 1 A 41 41 ARG H H 41 8.095 8.388 -0.293 1
1 385 . 9 1 1 A 41 41 ARG HA H 41 4.204 4.164 0.040 1
1 392 . 9 1 1 A 41 41 ARG CA C 41 58.876 59.661 -0.785 1
1 393 . 9 1 1 A 41 41 ARG CB C 41 30.227 30.150 0.077 1
1 394 . 9 1 1 A 41 41 ARG N N 41 119.841 121.012 -1.171 1
1 395 . 9 1 1 A 42 42 CYS H H 42 8.061 7.923 0.138 1
1 396 . 9 1 1 A 42 42 CYS HA H 42 4.435 4.240 0.195 1
1 399 . 9 1 1 A 42 42 CYS CA C 42 60.508 63.908 -3.400 1
1 400 . 9 1 1 A 42 42 CYS CB C 42 27.409 26.860 0.549 1
1 401 . 9 1 1 A 42 42 CYS N N 42 116.220 117.973 -1.753 1
1 402 . 9 1 1 A 43 43 LYS H H 43 7.936 8.030 -0.094 1
1 403 . 9 1 1 A 43 43 LYS HA H 43 4.244 4.110 0.134 1
1 408 . 9 1 1 A 43 43 LYS CA C 43 57.480 58.108 -0.628 1
1 409 . 9 1 1 A 43 43 LYS CB C 43 32.888 32.087 0.801 1
1 410 . 9 1 1 A 43 43 LYS N N 43 120.337 120.051 0.286 1
1 411 . 9 1 1 A 44 44 PHE H H 44 7.966 8.644 -0.678 1
1 412 . 9 1 1 A 44 44 PHE HA H 44 4.664 4.316 0.348 1
1 417 . 9 1 1 A 44 44 PHE CA C 44 58.606 59.380 -0.774 1
1 418 . 9 1 1 A 44 44 PHE CB C 44 39.452 39.239 0.213 1
1 419 . 9 1 1 A 44 44 PHE N N 44 118.202 117.215 0.987 1
1 420 . 9 1 1 A 45 45 ASN H H 45 8.147 7.444 0.703 1
1 421 . 9 1 1 A 45 45 ASN HA H 45 4.771 5.016 -0.245 1
1 426 . 9 1 1 A 45 45 ASN CA C 45 53.951 52.835 1.116 1
1 427 . 9 1 1 A 45 45 ASN CB C 45 39.301 38.537 0.764 1
1 428 . 9 1 1 A 45 45 ASN N N 45 118.296 116.801 1.495 1
1 430 . 9 1 1 A 46 46 GLN H H 46 8.209 8.749 -0.540 1
1 431 . 9 1 1 A 46 46 GLN HA H 46 4.344 4.069 0.275 1
1 436 . 9 1 1 A 46 46 GLN CA C 46 56.832 58.808 -1.976 1
1 437 . 9 1 1 A 46 46 GLN CB C 46 29.314 28.147 1.167 1
1 438 . 9 1 1 A 46 46 GLN N N 46 119.469 124.698 -5.229 1
1 439 . 9 1 1 A 47 47 GLN H H 47 8.221 8.055 0.166 1
1 440 . 9 1 1 A 47 47 GLN CA C 47 56.832 59.067 -2.235 1
1 441 . 9 1 1 A 47 47 GLN CB C 47 29.314 28.198 1.116 1
1 442 . 9 1 1 A 47 47 GLN N N 47 119.452 119.099 0.353 1
1 443 . 9 1 1 A 48 48 GLN H H 48 8.058 7.773 0.285 1
1 444 . 9 1 1 A 48 48 GLN HA H 48 4.394 4.143 0.251 1
1 449 . 9 1 1 A 48 48 GLN CA C 48 56.600 58.450 -1.850 1
1 450 . 9 1 1 A 48 48 GLN CB C 48 29.578 29.453 0.125 1
1 451 . 9 1 1 A 48 48 GLN N N 48 119.642 118.884 0.758 1
1 452 . 9 1 1 A 49 49 ARG H H 49 8.255 7.204 1.051 1
1 453 . 9 1 1 A 49 49 ARG HA H 49 4.475 4.835 -0.360 1
1 460 . 9 1 1 A 49 49 ARG CA C 49 56.569 55.401 1.168 1
1 461 . 9 1 1 A 49 49 ARG CB C 49 30.919 33.659 -2.740 1
1 462 . 9 1 1 A 49 49 ARG N N 49 121.599 118.548 3.051 1
1 463 . 9 1 1 A 50 50 THR H H 50 8.113 8.611 -0.498 1
1 464 . 9 1 1 A 50 50 THR HA H 50 4.438 4.766 -0.328 1
1 469 . 9 1 1 A 50 50 THR CA C 50 62.130 60.724 1.406 1
1 470 . 9 1 1 A 50 50 THR CB C 50 70.380 69.933 0.447 1
1 471 . 9 1 1 A 50 50 THR N N 50 113.660 121.174 -7.514 1
1 472 . 9 1 1 A 51 51 GLY H H 51 8.296 8.557 -0.261 1
1 473 . 9 1 1 A 51 51 GLY HA2 H 51 4.060 4.264 -0.204 1
1 474 . 9 1 1 A 51 51 GLY HA3 H 51 4.060 4.266 -0.206 1
1 475 . 9 1 1 A 51 51 GLY CA C 51 45.374 45.999 -0.625 1
1 476 . 9 1 1 A 51 51 GLY N N 51 110.876 112.684 -1.808 1
1 477 . 9 1 1 A 52 52 GLU H H 52 8.153 8.541 -0.388 1
1 478 . 9 1 1 A 52 52 GLU HA H 52 4.729 4.577 0.152 1
1 483 . 9 1 1 A 52 52 GLU CA C 52 54.072 54.839 -0.767 1
1 484 . 9 1 1 A 52 52 GLU CB C 52 29.347 28.809 0.538 1
1 485 . 9 1 1 A 52 52 GLU N N 52 120.834 120.549 0.285 1
1 486 . 9 1 1 A 53 53 PRO HA H 53 4.495 4.418 0.077 1
1 493 . 9 1 1 A 53 53 PRO CA C 53 63.749 63.297 0.452 1
1 494 . 9 1 1 A 53 53 PRO CB C 53 32.309 32.212 0.097 1
1 495 . 9 1 1 A 54 54 ASP H H 54 8.402 8.563 -0.161 1
1 496 . 9 1 1 A 54 54 ASP HA H 54 4.677 5.042 -0.365 1
1 499 . 9 1 1 A 54 54 ASP CA C 54 54.210 52.633 1.577 1
1 500 . 9 1 1 A 54 54 ASP CB C 54 40.375 45.205 -4.830 1
1 501 . 9 1 1 A 54 54 ASP N N 54 119.287 120.607 -1.320 1
1 502 . 9 1 1 A 55 55 GLU H H 55 8.249 8.392 -0.143 1
1 503 . 9 1 1 A 55 55 GLU HA H 55 4.650 4.341 0.309 1
1 508 . 9 1 1 A 55 55 GLU CA C 55 56.397 56.547 -0.150 1
1 509 . 9 1 1 A 55 55 GLU CB C 55 29.461 30.597 -1.136 1
1 510 . 9 1 1 A 55 55 GLU N N 55 120.671 120.469 0.202 1
1 511 . 9 1 1 A 56 56 GLU H H 56 8.257 8.541 -0.284 1
1 512 . 9 1 1 A 56 56 GLU HA H 56 4.396 4.204 0.192 1
1 517 . 9 1 1 A 56 56 GLU CA C 56 56.414 57.593 -1.179 1
1 518 . 9 1 1 A 56 56 GLU CB C 56 29.461 29.940 -0.479 1
1 519 . 9 1 1 A 56 56 GLU N N 56 119.852 121.637 -1.785 1
1 520 . 9 1 1 A 57 57 GLU H H 57 8.311 8.568 -0.257 1
1 521 . 9 1 1 A 57 57 GLU HA H 57 4.453 4.497 -0.044 1
1 526 . 9 1 1 A 57 57 GLU CA C 57 56.350 58.067 -1.717 1
1 527 . 9 1 1 A 57 57 GLU CB C 57 29.959 30.194 -0.235 1
1 528 . 9 1 1 A 57 57 GLU N N 57 121.046 122.179 -1.133 1
1 529 . 9 1 1 A 58 58 GLY H H 58 8.407 8.586 -0.179 1
1 530 . 9 1 1 A 58 58 GLY HA2 H 58 4.190 2.868 1.322 1
1 531 . 9 1 1 A 58 58 GLY HA3 H 58 4.190 3.962 0.228 1
1 532 . 9 1 1 A 58 58 GLY CA C 58 45.841 43.730 2.111 1
1 533 . 9 1 1 A 58 58 GLY N N 58 109.873 109.974 -0.101 1
1 534 . 9 1 1 A 59 59 THR H H 59 8.141 8.404 -0.263 1
1 535 . 9 1 1 A 59 59 THR HA H 59 4.348 4.712 -0.364 1
1 540 . 9 1 1 A 59 59 THR CA C 59 63.622 59.641 3.981 1
1 541 . 9 1 1 A 59 59 THR CB C 59 70.393 68.512 1.881 1
1 542 . 9 1 1 A 59 59 THR N N 59 114.486 113.547 0.939 1
1 543 . 9 1 1 A 60 60 PHE H H 60 8.651 7.871 0.780 1
1 544 . 9 1 1 A 60 60 PHE HA H 60 4.439 4.100 0.339 1
1 549 . 9 1 1 A 60 60 PHE CA C 60 61.359 61.439 -0.080 1
1 550 . 9 1 1 A 60 60 PHE CB C 60 38.960 39.265 -0.305 1
1 551 . 9 1 1 A 60 60 PHE N N 60 123.173 121.671 1.502 1
1 552 . 9 1 1 A 61 61 ARG H H 61 8.247 8.245 0.002 1
1 553 . 9 1 1 A 61 61 ARG HA H 61 3.932 3.900 0.032 1
1 560 . 9 1 1 A 61 61 ARG CA C 61 59.472 59.829 -0.357 1
1 561 . 9 1 1 A 61 61 ARG CB C 61 30.162 30.097 0.065 1
1 562 . 9 1 1 A 61 61 ARG N N 61 118.197 118.602 -0.405 1
1 563 . 9 1 1 A 62 62 SER H H 62 8.098 8.072 0.026 1
1 564 . 9 1 1 A 62 62 SER HA H 62 4.313 4.117 0.196 1
1 567 . 9 1 1 A 62 62 SER CA C 62 61.112 61.903 -0.791 1
1 568 . 9 1 1 A 62 62 SER CB C 62 63.426 62.831 0.595 1
1 569 . 9 1 1 A 62 62 SER N N 62 113.309 116.926 -3.617 1
1 570 . 9 1 1 A 63 63 SER H H 63 8.050 7.521 0.529 1
1 571 . 9 1 1 A 63 63 SER HA H 63 4.361 4.088 0.273 1
1 574 . 9 1 1 A 63 63 SER CA C 63 61.816 61.239 0.577 1
1 575 . 9 1 1 A 63 63 SER CB C 63 64.359 62.840 1.519 1
1 576 . 9 1 1 A 63 63 SER N N 63 118.744 116.129 2.615 1
1 577 . 9 1 1 A 64 64 ILE H H 64 7.813 7.815 -0.002 1
1 578 . 9 1 1 A 64 64 ILE HA H 64 3.936 3.728 0.208 1
1 588 . 9 1 1 A 64 64 ILE CA C 64 63.557 63.704 -0.147 1
1 589 . 9 1 1 A 64 64 ILE CB C 64 37.482 37.210 0.272 1
1 590 . 9 1 1 A 64 64 ILE N N 64 120.616 121.961 -1.345 1
1 591 . 9 1 1 A 65 65 ARG H H 65 7.863 8.085 -0.222 1
1 592 . 9 1 1 A 65 65 ARG HA H 65 4.207 3.849 0.358 1
1 600 . 9 1 1 A 65 65 ARG CA C 65 58.617 60.112 -1.495 1
1 601 . 9 1 1 A 65 65 ARG CB C 65 30.088 29.915 0.173 1
1 602 . 9 1 1 A 65 65 ARG N N 65 120.278 122.622 -2.344 1
1 603 . 9 1 1 A 66 66 ARG H H 66 7.934 7.611 0.323 1
1 604 . 9 1 1 A 66 66 ARG HA H 66 4.251 4.061 0.190 1
1 611 . 9 1 1 A 66 66 ARG CA C 66 58.512 58.631 -0.119 1
1 612 . 9 1 1 A 66 66 ARG CB C 66 30.618 30.156 0.462 1
1 613 . 9 1 1 A 66 66 ARG N N 66 119.070 120.242 -1.172 1
1 614 . 9 1 1 A 67 67 LEU H H 67 8.014 8.018 -0.004 1
1 615 . 9 1 1 A 67 67 LEU HA H 67 4.259 4.050 0.209 1
1 625 . 9 1 1 A 67 67 LEU CA C 67 57.012 57.396 -0.384 1
1 626 . 9 1 1 A 67 67 LEU CB C 67 42.398 41.337 1.061 1
1 627 . 9 1 1 A 67 67 LEU N N 67 119.999 121.456 -1.457 1
1 628 . 9 1 1 A 68 68 SER H H 68 8.091 8.522 -0.431 1
1 629 . 9 1 1 A 68 68 SER HA H 68 4.352 4.195 0.157 1
1 632 . 9 1 1 A 68 68 SER CA C 68 60.421 62.606 -2.185 1
1 633 . 9 1 1 A 68 68 SER CB C 68 63.997 63.271 0.726 1
1 634 . 9 1 1 A 68 68 SER N N 68 113.037 116.351 -3.314 1
1 635 . 9 1 1 A 69 69 THR H H 69 7.765 7.875 -0.110 1
1 640 . 9 1 1 A 69 69 THR CA C 69 63.075 64.234 -1.159 1
1 641 . 9 1 1 A 69 69 THR CB C 69 69.994 69.658 0.336 1
1 642 . 9 1 1 A 69 69 THR N N 69 113.132 112.719 0.413 1
1 643 . 9 1 1 A 70 70 ARG H H 70 7.915 8.855 -0.940 1
1 644 . 9 1 1 A 70 70 ARG HA H 70 4.402 4.008 0.394 1
1 651 . 9 1 1 A 70 70 ARG CA C 70 57.068 56.866 0.202 1
1 652 . 9 1 1 A 70 70 ARG CB C 70 30.778 28.068 2.710 1
1 653 . 9 1 1 A 70 70 ARG N N 70 121.113 120.110 1.003 1
1 654 . 9 1 1 A 71 71 ARG H H 71 7.891 8.014 -0.123 1
1 655 . 9 1 1 A 71 71 ARG HA H 71 4.421 4.339 0.082 1
1 662 . 9 1 1 A 71 71 ARG CA C 71 56.407 55.692 0.715 1
1 663 . 9 1 1 A 71 71 ARG CB C 71 31.156 31.026 0.130 1
1 664 . 9 1 1 A 71 71 ARG N N 71 118.899 119.369 -0.470 1
1 8 . 10 1 1 A 2 2 SER H H 2 8.707 8.433 0.274 1
1 9 . 10 1 1 A 2 2 SER HA H 2 4.638 5.155 -0.517 1
1 12 . 10 1 1 A 2 2 SER CA C 2 56.699 55.164 1.535 1
1 13 . 10 1 1 A 2 2 SER CB C 2 63.978 65.358 -1.380 1
1 14 . 10 1 1 A 2 2 SER N N 2 118.975 118.368 0.607 1
1 15 . 10 1 1 A 3 3 PRO HA H 3 4.533 4.390 0.143 1
1 22 . 10 1 1 A 3 3 PRO CA C 3 64.301 64.274 0.027 1
1 23 . 10 1 1 A 3 3 PRO CB C 3 32.998 31.643 1.355 1
1 24 . 10 1 1 A 4 4 LYS H H 4 8.117 8.459 -0.342 1
1 25 . 10 1 1 A 4 4 LYS HA H 4 4.314 4.076 0.238 1
1 32 . 10 1 1 A 4 4 LYS CA C 4 56.918 57.817 -0.899 1
1 33 . 10 1 1 A 4 4 LYS CB C 4 33.010 32.334 0.676 1
1 34 . 10 1 1 A 4 4 LYS N N 4 118.277 116.908 1.369 1
1 35 . 10 1 1 A 5 5 GLU HA H 5 4.302 4.723 -0.421 1
1 40 . 10 1 1 A 5 5 GLU CA C 5 56.505 54.870 1.635 1
1 41 . 10 1 1 A 5 5 GLU CB C 5 38.736 31.513 7.223 1
1 42 . 10 1 1 A 6 6 HIS H H 6 8.075 8.786 -0.711 1
1 43 . 10 1 1 A 6 6 HIS HA H 6 4.352 4.990 -0.638 1
1 47 . 10 1 1 A 6 6 HIS CA C 6 55.000 54.382 0.618 1
1 48 . 10 1 1 A 6 6 HIS CB C 6 29.504 32.648 -3.144 1
1 49 . 10 1 1 A 6 6 HIS N N 6 117.435 120.390 -2.955 1
1 50 . 10 1 1 A 7 7 ASP H H 7 8.249 9.290 -1.041 1
1 51 . 10 1 1 A 7 7 ASP HA H 7 4.796 4.342 0.454 1
1 54 . 10 1 1 A 7 7 ASP CA C 7 51.877 54.781 -2.904 1
1 55 . 10 1 1 A 7 7 ASP CB C 7 39.384 39.374 0.010 1
1 56 . 10 1 1 A 7 7 ASP N N 7 120.163 123.470 -3.307 1
1 57 . 10 1 1 A 8 8 PRO HA H 8 4.458 4.243 0.215 1
1 64 . 10 1 1 A 8 8 PRO CA C 8 63.863 64.861 -0.998 1
1 65 . 10 1 1 A 8 8 PRO CB C 8 32.512 31.816 0.696 1
1 66 . 10 1 1 A 9 9 PHE H H 9 7.959 8.326 -0.367 1
1 67 . 10 1 1 A 9 9 PHE HA H 9 4.783 4.195 0.588 1
1 72 . 10 1 1 A 9 9 PHE CA C 9 58.261 60.843 -2.582 1
1 73 . 10 1 1 A 9 9 PHE CB C 9 39.190 38.726 0.464 1
1 74 . 10 1 1 A 9 9 PHE N N 9 118.640 117.307 1.333 1
1 75 . 10 1 1 A 10 10 THR H H 10 7.897 7.751 0.146 1
1 76 . 10 1 1 A 10 10 THR HA H 10 4.440 4.729 -0.289 1
1 81 . 10 1 1 A 10 10 THR CA C 10 62.056 59.341 2.715 1
1 82 . 10 1 1 A 10 10 THR CB C 10 70.112 71.466 -1.354 1
1 83 . 10 1 1 A 10 10 THR N N 10 112.714 110.521 2.193 1
1 84 . 10 1 1 A 11 11 TYR H H 11 7.615 8.751 -1.136 1
1 85 . 10 1 1 A 11 11 TYR HA H 11 4.471 5.039 -0.568 1
1 90 . 10 1 1 A 11 11 TYR CA C 11 58.365 56.192 2.173 1
1 91 . 10 1 1 A 11 11 TYR CB C 11 70.116 41.563 28.553 1
1 92 . 10 1 1 A 11 11 TYR N N 11 122.022 119.558 2.464 1
1 93 . 10 1 1 A 12 12 ASP H H 12 7.954 9.421 -1.467 1
1 94 . 10 1 1 A 12 12 ASP HA H 12 4.800 4.281 0.519 1
1 97 . 10 1 1 A 12 12 ASP CA C 12 53.013 57.745 -4.732 1
1 98 . 10 1 1 A 12 12 ASP CB C 12 39.384 40.373 -0.989 1
1 99 . 10 1 1 A 12 12 ASP N N 12 121.560 124.111 -2.551 1
1 100 . 10 1 1 A 13 13 TYR H H 13 7.949 8.122 -0.173 1
1 101 . 10 1 1 A 13 13 TYR HA H 13 4.435 4.701 -0.266 1
1 106 . 10 1 1 A 13 13 TYR CA C 13 59.555 58.408 1.147 1
1 107 . 10 1 1 A 13 13 TYR CB C 13 39.589 37.819 1.770 1
1 108 . 10 1 1 A 13 13 TYR N N 13 121.914 116.453 5.461 1
1 109 . 10 1 1 A 14 14 GLN H H 14 8.173 7.878 0.295 1
1 110 . 10 1 1 A 14 14 GLN HA H 14 4.222 4.106 0.116 1
1 115 . 10 1 1 A 14 14 GLN CA C 14 57.621 58.979 -1.358 1
1 116 . 10 1 1 A 14 14 GLN CB C 14 28.821 28.531 0.290 1
1 117 . 10 1 1 A 14 14 GLN N N 14 119.118 122.583 -3.465 1
1 118 . 10 1 1 A 15 15 SER H H 15 7.888 8.376 -0.488 1
1 119 . 10 1 1 A 15 15 SER HA H 15 4.485 4.339 0.146 1
1 122 . 10 1 1 A 15 15 SER CA C 15 59.326 61.311 -1.985 1
1 123 . 10 1 1 A 15 15 SER CB C 15 64.123 62.852 1.271 1
1 124 . 10 1 1 A 15 15 SER N N 15 114.275 114.802 -0.527 1
1 125 . 10 1 1 A 16 16 LEU H H 16 7.791 8.181 -0.390 1
1 126 . 10 1 1 A 16 16 LEU HA H 16 4.430 4.294 0.136 1
1 136 . 10 1 1 A 16 16 LEU CA C 16 55.849 56.475 -0.626 1
1 137 . 10 1 1 A 16 16 LEU CB C 16 43.036 42.529 0.507 1
1 138 . 10 1 1 A 16 16 LEU N N 16 122.606 123.947 -1.341 1
1 139 . 10 1 1 A 17 17 GLN H H 17 8.281 8.014 0.267 1
1 140 . 10 1 1 A 17 17 GLN HA H 17 4.426 4.127 0.299 1
1 145 . 10 1 1 A 17 17 GLN CA C 17 56.500 58.212 -1.712 1
1 146 . 10 1 1 A 17 17 GLN CB C 17 29.338 28.916 0.422 1
1 147 . 10 1 1 A 17 17 GLN N N 17 120.232 118.932 1.300 1
1 148 . 10 1 1 A 18 18 ILE H H 18 7.807 7.789 0.018 1
1 149 . 10 1 1 A 18 18 ILE HA H 18 4.238 4.155 0.083 1
1 159 . 10 1 1 A 18 18 ILE CA C 18 61.932 63.218 -1.286 1
1 160 . 10 1 1 A 18 18 ILE CB C 18 38.997 38.325 0.672 1
1 161 . 10 1 1 A 18 18 ILE N N 18 118.727 118.831 -0.104 1
1 162 . 10 1 1 A 19 19 GLY H H 19 8.106 8.091 0.015 1
1 163 . 10 1 1 A 19 19 GLY HA2 H 19 4.054 3.721 0.333 1
1 164 . 10 1 1 A 19 19 GLY HA3 H 19 4.054 3.731 0.323 1
1 165 . 10 1 1 A 19 19 GLY CA C 19 46.338 47.359 -1.021 1
1 166 . 10 1 1 A 19 19 GLY N N 19 109.552 109.321 0.231 1
1 167 . 10 1 1 A 20 20 GLY H H 20 8.305 8.542 -0.237 1
1 168 . 10 1 1 A 20 20 GLY HA2 H 20 3.877 3.850 0.027 1
1 169 . 10 1 1 A 20 20 GLY HA3 H 20 3.877 3.865 0.012 1
1 170 . 10 1 1 A 20 20 GLY CA C 20 47.746 47.011 0.735 1
1 171 . 10 1 1 A 20 20 GLY N N 20 107.332 108.303 -0.971 1
1 172 . 10 1 1 A 21 21 LEU H H 21 8.046 8.042 0.004 1
1 173 . 10 1 1 A 21 21 LEU HA H 21 4.172 4.052 0.120 1
1 183 . 10 1 1 A 21 21 LEU CA C 21 58.140 57.681 0.459 1
1 184 . 10 1 1 A 21 21 LEU CB C 21 41.812 41.693 0.119 1
1 185 . 10 1 1 A 21 21 LEU N N 21 119.906 122.925 -3.019 1
1 186 . 10 1 1 A 22 22 VAL H H 22 7.716 8.329 -0.613 1
1 187 . 10 1 1 A 22 22 VAL HA H 22 3.691 3.443 0.248 1
1 195 . 10 1 1 A 22 22 VAL CA C 22 66.872 66.922 -0.050 1
1 196 . 10 1 1 A 22 22 VAL CB C 22 67.290 31.687 35.603 1
1 197 . 10 1 1 A 22 22 VAL N N 22 117.489 117.571 -0.082 1
1 198 . 10 1 1 A 23 23 ILE H H 23 7.707 7.770 -0.063 1
1 199 . 10 1 1 A 23 23 ILE HA H 23 3.679 3.759 -0.080 1
1 208 . 10 1 1 A 23 23 ILE CA C 23 65.219 64.249 0.970 1
1 209 . 10 1 1 A 23 23 ILE CB C 23 39.538 37.595 1.943 1
1 210 . 10 1 1 A 23 23 ILE N N 23 117.900 117.274 0.626 1
1 211 . 10 1 1 A 24 24 ALA H H 24 8.248 8.187 0.061 1
1 215 . 10 1 1 A 24 24 ALA CA C 24 55.723 54.925 0.798 1
1 216 . 10 1 1 A 24 24 ALA CB C 24 18.223 18.253 -0.030 1
1 217 . 10 1 1 A 24 24 ALA N N 24 120.166 124.269 -4.103 1
1 218 . 10 1 1 A 25 25 GLY H H 25 8.482 7.870 0.612 1
1 219 . 10 1 1 A 25 25 GLY HA2 H 25 3.781 3.681 0.100 1
1 220 . 10 1 1 A 25 25 GLY HA3 H 25 3.692 3.739 -0.047 1
1 221 . 10 1 1 A 25 25 GLY CA C 25 47.860 47.096 0.764 1
1 222 . 10 1 1 A 25 25 GLY N N 25 103.943 106.530 -2.587 1
1 223 . 10 1 1 A 26 26 ILE H H 26 8.401 7.576 0.825 1
1 224 . 10 1 1 A 26 26 ILE HA H 26 3.715 3.725 -0.010 1
1 229 . 10 1 1 A 26 26 ILE CA C 26 65.719 64.526 1.193 1
1 230 . 10 1 1 A 26 26 ILE CB C 26 38.043 37.398 0.645 1
1 231 . 10 1 1 A 26 26 ILE N N 26 120.944 122.303 -1.359 1
1 232 . 10 1 1 A 27 27 LEU H H 27 8.303 7.719 0.584 1
1 233 . 10 1 1 A 27 27 LEU HA H 27 4.011 3.929 0.082 1
1 243 . 10 1 1 A 27 27 LEU CA C 27 58.586 58.117 0.469 1
1 244 . 10 1 1 A 27 27 LEU CB C 27 41.728 41.683 0.045 1
1 245 . 10 1 1 A 27 27 LEU N N 27 118.806 121.056 -2.250 1
1 246 . 10 1 1 A 28 28 PHE H H 28 8.568 6.928 1.640 1
1 247 . 10 1 1 A 28 28 PHE HA H 28 4.238 4.210 0.028 1
1 252 . 10 1 1 A 28 28 PHE CA C 28 61.596 61.286 0.310 1
1 253 . 10 1 1 A 28 28 PHE CB C 28 39.690 38.683 1.007 1
1 254 . 10 1 1 A 28 28 PHE N N 28 118.499 117.344 1.155 1
1 255 . 10 1 1 A 29 29 ILE H H 29 8.247 8.338 -0.091 1
1 256 . 10 1 1 A 29 29 ILE HA H 29 3.607 3.659 -0.052 1
1 263 . 10 1 1 A 29 29 ILE CA C 29 65.048 65.363 -0.315 1
1 264 . 10 1 1 A 29 29 ILE CB C 29 37.293 37.729 -0.436 1
1 265 . 10 1 1 A 29 29 ILE N N 29 117.892 120.375 -2.483 1
1 266 . 10 1 1 A 30 30 LEU H H 30 8.624 8.451 0.173 1
1 267 . 10 1 1 A 30 30 LEU HA H 30 4.012 4.046 -0.034 1
1 277 . 10 1 1 A 30 30 LEU CA C 30 58.624 57.943 0.681 1
1 278 . 10 1 1 A 30 30 LEU CB C 30 42.011 41.678 0.333 1
1 279 . 10 1 1 A 30 30 LEU N N 30 119.146 121.290 -2.144 1
1 280 . 10 1 1 A 31 31 GLY H H 31 8.754 8.405 0.349 1
1 281 . 10 1 1 A 31 31 GLY HA2 H 31 3.643 3.833 -0.190 1
1 282 . 10 1 1 A 31 31 GLY HA3 H 31 3.643 3.870 -0.227 1
1 283 . 10 1 1 A 31 31 GLY CA C 31 48.068 47.495 0.573 1
1 284 . 10 1 1 A 31 31 GLY N N 31 106.000 107.614 -1.614 1
1 285 . 10 1 1 A 32 32 ILE H H 32 8.303 8.751 -0.448 1
1 286 . 10 1 1 A 32 32 ILE HA H 32 3.622 3.828 -0.206 1
1 296 . 10 1 1 A 32 32 ILE CA C 32 65.126 64.686 0.440 1
1 297 . 10 1 1 A 32 32 ILE CB C 32 39.126 37.730 1.396 1
1 298 . 10 1 1 A 32 32 ILE N N 32 120.840 122.484 -1.644 1
1 299 . 10 1 1 A 33 33 LEU H H 33 8.388 7.999 0.389 1
1 300 . 10 1 1 A 33 33 LEU HA H 33 4.042 4.063 -0.021 1
1 310 . 10 1 1 A 33 33 LEU CA C 33 58.672 58.084 0.588 1
1 311 . 10 1 1 A 33 33 LEU CB C 33 40.359 41.636 -1.277 1
1 312 . 10 1 1 A 33 33 LEU N N 33 119.523 119.418 0.105 1
1 313 . 10 1 1 A 34 34 ILE H H 34 8.703 8.647 0.056 1
1 314 . 10 1 1 A 34 34 ILE HA H 34 3.685 3.571 0.114 1
1 319 . 10 1 1 A 34 34 ILE CA C 34 66.120 65.450 0.670 1
1 320 . 10 1 1 A 34 34 ILE CB C 34 37.627 37.769 -0.142 1
1 321 . 10 1 1 A 34 34 ILE N N 34 120.906 119.748 1.158 1
1 322 . 10 1 1 A 35 35 VAL H H 35 8.359 8.381 -0.022 1
1 323 . 10 1 1 A 35 35 VAL HA H 35 3.690 3.641 0.049 1
1 331 . 10 1 1 A 35 35 VAL CA C 35 67.546 66.769 0.777 1
1 332 . 10 1 1 A 35 35 VAL CB C 35 31.619 31.814 -0.195 1
1 333 . 10 1 1 A 35 35 VAL N N 35 120.794 119.247 1.547 1
1 334 . 10 1 1 A 36 36 LEU H H 36 9.002 8.138 0.864 1
1 335 . 10 1 1 A 36 36 LEU HA H 36 4.095 4.042 0.053 1
1 345 . 10 1 1 A 36 36 LEU CA C 36 58.589 57.687 0.902 1
1 346 . 10 1 1 A 36 36 LEU CB C 36 42.017 40.753 1.264 1
1 347 . 10 1 1 A 36 36 LEU N N 36 119.433 117.954 1.479 1
1 348 . 10 1 1 A 37 37 SER H H 37 8.585 8.164 0.421 1
1 349 . 10 1 1 A 37 37 SER HA H 37 4.632 4.100 0.532 1
1 352 . 10 1 1 A 37 37 SER CA C 37 62.896 62.091 0.805 1
1 353 . 10 1 1 A 37 37 SER CB C 37 63.973 62.748 1.225 1
1 354 . 10 1 1 A 37 37 SER N N 37 115.400 114.611 0.789 1
1 355 . 10 1 1 A 38 38 ARG H H 38 8.180 7.740 0.440 1
1 356 . 10 1 1 A 38 38 ARG HA H 38 4.218 4.127 0.091 1
1 363 . 10 1 1 A 38 38 ARG CA C 38 59.259 59.210 0.049 1
1 364 . 10 1 1 A 38 38 ARG CB C 38 30.751 29.967 0.784 1
1 365 . 10 1 1 A 38 38 ARG N N 38 121.516 122.361 -0.845 1
1 366 . 10 1 1 A 39 39 ARG H H 39 8.362 7.859 0.503 1
1 367 . 10 1 1 A 39 39 ARG HA H 39 4.373 4.033 0.340 1
1 374 . 10 1 1 A 39 39 ARG CA C 39 58.095 59.283 -1.188 1
1 375 . 10 1 1 A 39 39 ARG CB C 39 30.581 29.839 0.742 1
1 376 . 10 1 1 A 39 39 ARG N N 39 117.803 118.942 -1.139 1
1 377 . 10 1 1 A 40 40 CYS H H 40 8.423 7.909 0.514 1
1 378 . 10 1 1 A 40 40 CYS HA H 40 4.447 4.111 0.336 1
1 381 . 10 1 1 A 40 40 CYS CA C 40 61.514 62.592 -1.078 1
1 382 . 10 1 1 A 40 40 CYS CB C 40 28.091 26.290 1.801 1
1 383 . 10 1 1 A 40 40 CYS N N 40 116.351 119.210 -2.859 1
1 384 . 10 1 1 A 41 41 ARG H H 41 8.095 7.823 0.272 1
1 385 . 10 1 1 A 41 41 ARG HA H 41 4.204 4.044 0.160 1
1 392 . 10 1 1 A 41 41 ARG CA C 41 58.876 59.582 -0.706 1
1 393 . 10 1 1 A 41 41 ARG CB C 41 30.227 30.028 0.199 1
1 394 . 10 1 1 A 41 41 ARG N N 41 119.841 120.311 -0.470 1
1 395 . 10 1 1 A 42 42 CYS H H 42 8.061 7.996 0.065 1
1 396 . 10 1 1 A 42 42 CYS HA H 42 4.435 4.292 0.143 1
1 399 . 10 1 1 A 42 42 CYS CA C 42 60.508 63.829 -3.321 1
1 400 . 10 1 1 A 42 42 CYS CB C 42 27.409 26.919 0.490 1
1 401 . 10 1 1 A 42 42 CYS N N 42 116.220 117.912 -1.692 1
1 402 . 10 1 1 A 43 43 LYS H H 43 7.936 8.455 -0.519 1
1 403 . 10 1 1 A 43 43 LYS HA H 43 4.244 4.189 0.055 1
1 408 . 10 1 1 A 43 43 LYS CA C 43 57.480 57.996 -0.516 1
1 409 . 10 1 1 A 43 43 LYS CB C 43 32.888 32.235 0.653 1
1 410 . 10 1 1 A 43 43 LYS N N 43 120.337 120.080 0.257 1
1 411 . 10 1 1 A 44 44 PHE H H 44 7.966 8.679 -0.713 1
1 412 . 10 1 1 A 44 44 PHE HA H 44 4.664 4.164 0.500 1
1 417 . 10 1 1 A 44 44 PHE CA C 44 58.606 60.917 -2.311 1
1 418 . 10 1 1 A 44 44 PHE CB C 44 39.452 39.943 -0.491 1
1 419 . 10 1 1 A 44 44 PHE N N 44 118.202 121.510 -3.308 1
1 420 . 10 1 1 A 45 45 ASN H H 45 8.147 7.480 0.667 1
1 421 . 10 1 1 A 45 45 ASN HA H 45 4.771 4.781 -0.010 1
1 426 . 10 1 1 A 45 45 ASN CA C 45 53.951 53.257 0.694 1
1 427 . 10 1 1 A 45 45 ASN CB C 45 39.301 38.374 0.927 1
1 428 . 10 1 1 A 45 45 ASN N N 45 118.296 113.849 4.447 1
1 430 . 10 1 1 A 46 46 GLN H H 46 8.209 8.002 0.207 1
1 431 . 10 1 1 A 46 46 GLN HA H 46 4.344 3.977 0.367 1
1 436 . 10 1 1 A 46 46 GLN CA C 46 56.832 59.195 -2.363 1
1 437 . 10 1 1 A 46 46 GLN CB C 46 29.314 28.628 0.686 1
1 438 . 10 1 1 A 46 46 GLN N N 46 119.469 120.068 -0.599 1
1 439 . 10 1 1 A 47 47 GLN H H 47 8.221 8.238 -0.017 1
1 440 . 10 1 1 A 47 47 GLN CA C 47 56.832 58.889 -2.057 1
1 441 . 10 1 1 A 47 47 GLN CB C 47 29.314 28.332 0.982 1
1 442 . 10 1 1 A 47 47 GLN N N 47 119.452 118.216 1.236 1
1 443 . 10 1 1 A 48 48 GLN H H 48 8.058 7.546 0.512 1
1 444 . 10 1 1 A 48 48 GLN HA H 48 4.394 4.337 0.057 1
1 449 . 10 1 1 A 48 48 GLN CA C 48 56.600 55.831 0.769 1
1 450 . 10 1 1 A 48 48 GLN CB C 48 29.578 29.186 0.392 1
1 451 . 10 1 1 A 48 48 GLN N N 48 119.642 116.378 3.264 1
1 452 . 10 1 1 A 49 49 ARG H H 49 8.255 7.891 0.364 1
1 453 . 10 1 1 A 49 49 ARG HA H 49 4.475 4.339 0.136 1
1 460 . 10 1 1 A 49 49 ARG CA C 49 56.569 56.859 -0.290 1
1 461 . 10 1 1 A 49 49 ARG CB C 49 30.919 30.534 0.385 1
1 462 . 10 1 1 A 49 49 ARG N N 49 121.599 119.770 1.829 1
1 463 . 10 1 1 A 50 50 THR H H 50 8.113 8.850 -0.737 1
1 464 . 10 1 1 A 50 50 THR HA H 50 4.438 4.278 0.160 1
1 469 . 10 1 1 A 50 50 THR CA C 50 62.130 63.532 -1.402 1
1 470 . 10 1 1 A 50 50 THR CB C 50 70.380 69.642 0.738 1
1 471 . 10 1 1 A 50 50 THR N N 50 113.660 117.904 -4.244 1
1 472 . 10 1 1 A 51 51 GLY H H 51 8.296 8.801 -0.505 1
1 473 . 10 1 1 A 51 51 GLY HA2 H 51 4.060 4.029 0.031 1
1 474 . 10 1 1 A 51 51 GLY HA3 H 51 4.060 4.033 0.027 1
1 475 . 10 1 1 A 51 51 GLY CA C 51 45.374 45.219 0.155 1
1 476 . 10 1 1 A 51 51 GLY N N 51 110.876 114.480 -3.604 1
1 477 . 10 1 1 A 52 52 GLU H H 52 8.153 7.962 0.191 1
1 478 . 10 1 1 A 52 52 GLU HA H 52 4.729 4.805 -0.076 1
1 483 . 10 1 1 A 52 52 GLU CA C 52 54.072 53.741 0.331 1
1 484 . 10 1 1 A 52 52 GLU CB C 52 29.347 30.615 -1.268 1
1 485 . 10 1 1 A 52 52 GLU N N 52 120.834 120.006 0.828 1
1 486 . 10 1 1 A 53 53 PRO HA H 53 4.495 4.535 -0.040 1
1 493 . 10 1 1 A 53 53 PRO CA C 53 63.749 62.497 1.252 1
1 494 . 10 1 1 A 53 53 PRO CB C 53 32.309 32.896 -0.587 1
1 495 . 10 1 1 A 54 54 ASP H H 54 8.402 8.616 -0.214 1
1 496 . 10 1 1 A 54 54 ASP HA H 54 4.677 4.612 0.065 1
1 499 . 10 1 1 A 54 54 ASP CA C 54 54.210 54.481 -0.271 1
1 500 . 10 1 1 A 54 54 ASP CB C 54 40.375 41.060 -0.685 1
1 501 . 10 1 1 A 54 54 ASP N N 54 119.287 120.327 -1.040 1
1 502 . 10 1 1 A 55 55 GLU H H 55 8.249 8.945 -0.696 1
1 503 . 10 1 1 A 55 55 GLU HA H 55 4.650 5.103 -0.453 1
1 508 . 10 1 1 A 55 55 GLU CA C 55 56.397 54.207 2.190 1
1 509 . 10 1 1 A 55 55 GLU CB C 55 29.461 33.178 -3.717 1
1 510 . 10 1 1 A 55 55 GLU N N 55 120.671 120.273 0.398 1
1 511 . 10 1 1 A 56 56 GLU H H 56 8.257 8.610 -0.353 1
1 512 . 10 1 1 A 56 56 GLU HA H 56 4.396 4.784 -0.388 1
1 517 . 10 1 1 A 56 56 GLU CA C 56 56.414 55.241 1.173 1
1 518 . 10 1 1 A 56 56 GLU CB C 56 29.461 32.329 -2.868 1
1 519 . 10 1 1 A 56 56 GLU N N 56 119.852 120.025 -0.173 1
1 520 . 10 1 1 A 57 57 GLU H H 57 8.311 8.726 -0.415 1
1 521 . 10 1 1 A 57 57 GLU HA H 57 4.453 3.997 0.456 1
1 526 . 10 1 1 A 57 57 GLU CA C 57 56.350 57.953 -1.603 1
1 527 . 10 1 1 A 57 57 GLU CB C 57 29.959 30.453 -0.494 1
1 528 . 10 1 1 A 57 57 GLU N N 57 121.046 122.164 -1.118 1
1 529 . 10 1 1 A 58 58 GLY H H 58 8.407 8.263 0.144 1
1 530 . 10 1 1 A 58 58 GLY HA2 H 58 4.190 3.054 1.136 1
1 531 . 10 1 1 A 58 58 GLY HA3 H 58 4.190 3.774 0.416 1
1 532 . 10 1 1 A 58 58 GLY CA C 58 45.841 45.068 0.773 1
1 533 . 10 1 1 A 58 58 GLY N N 58 109.873 113.242 -3.369 1
1 534 . 10 1 1 A 59 59 THR H H 59 8.141 7.392 0.749 1
1 535 . 10 1 1 A 59 59 THR HA H 59 4.348 4.522 -0.174 1
1 540 . 10 1 1 A 59 59 THR CA C 59 63.622 61.589 2.033 1
1 541 . 10 1 1 A 59 59 THR CB C 59 70.393 68.999 1.394 1
1 542 . 10 1 1 A 59 59 THR N N 59 114.486 111.773 2.713 1
1 543 . 10 1 1 A 60 60 PHE H H 60 8.651 7.802 0.849 1
1 544 . 10 1 1 A 60 60 PHE HA H 60 4.439 4.028 0.411 1
1 549 . 10 1 1 A 60 60 PHE CA C 60 61.359 61.365 -0.006 1
1 550 . 10 1 1 A 60 60 PHE CB C 60 38.960 39.193 -0.233 1
1 551 . 10 1 1 A 60 60 PHE N N 60 123.173 121.733 1.440 1
1 552 . 10 1 1 A 61 61 ARG H H 61 8.247 8.240 0.007 1
1 553 . 10 1 1 A 61 61 ARG HA H 61 3.932 3.870 0.062 1
1 560 . 10 1 1 A 61 61 ARG CA C 61 59.472 60.105 -0.633 1
1 561 . 10 1 1 A 61 61 ARG CB C 61 30.162 29.746 0.416 1
1 562 . 10 1 1 A 61 61 ARG N N 61 118.197 118.794 -0.597 1
1 563 . 10 1 1 A 62 62 SER H H 62 8.098 7.991 0.107 1
1 564 . 10 1 1 A 62 62 SER HA H 62 4.313 4.107 0.206 1
1 567 . 10 1 1 A 62 62 SER CA C 62 61.112 61.888 -0.776 1
1 568 . 10 1 1 A 62 62 SER CB C 62 63.426 62.793 0.633 1
1 569 . 10 1 1 A 62 62 SER N N 62 113.309 117.236 -3.927 1
1 570 . 10 1 1 A 63 63 SER H H 63 8.050 8.043 0.007 1
1 571 . 10 1 1 A 63 63 SER HA H 63 4.361 4.118 0.243 1
1 574 . 10 1 1 A 63 63 SER CA C 63 61.816 61.451 0.365 1
1 575 . 10 1 1 A 63 63 SER CB C 63 64.359 62.434 1.925 1
1 576 . 10 1 1 A 63 63 SER N N 63 118.744 115.373 3.371 1
1 577 . 10 1 1 A 64 64 ILE H H 64 7.813 7.542 0.271 1
1 578 . 10 1 1 A 64 64 ILE HA H 64 3.936 3.525 0.411 1
1 588 . 10 1 1 A 64 64 ILE CA C 64 63.557 65.117 -1.560 1
1 589 . 10 1 1 A 64 64 ILE CB C 64 37.482 37.120 0.362 1
1 590 . 10 1 1 A 64 64 ILE N N 64 120.616 122.998 -2.382 1
1 591 . 10 1 1 A 65 65 ARG H H 65 7.863 7.710 0.153 1
1 592 . 10 1 1 A 65 65 ARG HA H 65 4.207 3.858 0.349 1
1 600 . 10 1 1 A 65 65 ARG CA C 65 58.617 59.169 -0.552 1
1 601 . 10 1 1 A 65 65 ARG CB C 65 30.088 29.800 0.288 1
1 602 . 10 1 1 A 65 65 ARG N N 65 120.278 121.552 -1.274 1
1 603 . 10 1 1 A 66 66 ARG H H 66 7.934 7.685 0.249 1
1 604 . 10 1 1 A 66 66 ARG HA H 66 4.251 4.069 0.182 1
1 611 . 10 1 1 A 66 66 ARG CA C 66 58.512 59.024 -0.512 1
1 612 . 10 1 1 A 66 66 ARG CB C 66 30.618 29.898 0.720 1
1 613 . 10 1 1 A 66 66 ARG N N 66 119.070 118.507 0.563 1
1 614 . 10 1 1 A 67 67 LEU H H 67 8.014 8.321 -0.307 1
1 615 . 10 1 1 A 67 67 LEU HA H 67 4.259 4.050 0.209 1
1 625 . 10 1 1 A 67 67 LEU CA C 67 57.012 57.475 -0.463 1
1 626 . 10 1 1 A 67 67 LEU CB C 67 42.398 40.900 1.498 1
1 627 . 10 1 1 A 67 67 LEU N N 67 119.999 119.493 0.506 1
1 628 . 10 1 1 A 68 68 SER H H 68 8.091 8.335 -0.244 1
1 629 . 10 1 1 A 68 68 SER HA H 68 4.352 4.181 0.171 1
1 632 . 10 1 1 A 68 68 SER CA C 68 60.421 61.440 -1.019 1
1 633 . 10 1 1 A 68 68 SER CB C 68 63.997 62.036 1.961 1
1 634 . 10 1 1 A 68 68 SER N N 68 113.037 113.575 -0.538 1
1 635 . 10 1 1 A 69 69 THR H H 69 7.765 7.734 0.031 1
1 640 . 10 1 1 A 69 69 THR CA C 69 63.075 64.383 -1.308 1
1 641 . 10 1 1 A 69 69 THR CB C 69 69.994 69.939 0.055 1
1 642 . 10 1 1 A 69 69 THR N N 69 113.132 116.048 -2.916 1
1 643 . 10 1 1 A 70 70 ARG H H 70 7.915 8.589 -0.674 1
1 644 . 10 1 1 A 70 70 ARG HA H 70 4.402 4.180 0.222 1
1 651 . 10 1 1 A 70 70 ARG CA C 70 57.068 58.089 -1.021 1
1 652 . 10 1 1 A 70 70 ARG CB C 70 30.778 30.406 0.372 1
1 653 . 10 1 1 A 70 70 ARG N N 70 121.113 121.038 0.075 1
1 654 . 10 1 1 A 71 71 ARG H H 71 7.891 7.653 0.238 1
1 655 . 10 1 1 A 71 71 ARG HA H 71 4.421 4.423 -0.002 1
1 662 . 10 1 1 A 71 71 ARG CA C 71 56.407 55.862 0.545 1
1 663 . 10 1 1 A 71 71 ARG CB C 71 31.156 32.557 -1.401 1
1 664 . 10 1 1 A 71 71 ARG N N 71 118.899 118.984 -0.085 1
1 8 . 11 1 1 A 2 2 SER H H 2 8.707 8.079 0.628 1
1 9 . 11 1 1 A 2 2 SER HA H 2 4.638 4.125 0.513 1
1 12 . 11 1 1 A 2 2 SER CA C 2 56.699 58.939 -2.240 1
1 13 . 11 1 1 A 2 2 SER CB C 2 63.978 61.367 2.611 1
1 14 . 11 1 1 A 2 2 SER N N 2 118.975 114.775 4.200 1
1 15 . 11 1 1 A 3 3 PRO HA H 3 4.533 4.382 0.151 1
1 22 . 11 1 1 A 3 3 PRO CA C 3 64.301 64.348 -0.047 1
1 23 . 11 1 1 A 3 3 PRO CB C 3 32.998 31.948 1.050 1
1 24 . 11 1 1 A 4 4 LYS H H 4 8.117 8.569 -0.452 1
1 25 . 11 1 1 A 4 4 LYS HA H 4 4.314 4.035 0.279 1
1 32 . 11 1 1 A 4 4 LYS CA C 4 56.918 57.698 -0.780 1
1 33 . 11 1 1 A 4 4 LYS CB C 4 33.010 32.300 0.710 1
1 34 . 11 1 1 A 4 4 LYS N N 4 118.277 116.992 1.285 1
1 35 . 11 1 1 A 5 5 GLU HA H 5 4.302 4.651 -0.349 1
1 40 . 11 1 1 A 5 5 GLU CA C 5 56.505 54.600 1.905 1
1 41 . 11 1 1 A 5 5 GLU CB C 5 38.736 31.425 7.311 1
1 42 . 11 1 1 A 6 6 HIS H H 6 8.075 8.706 -0.631 1
1 43 . 11 1 1 A 6 6 HIS HA H 6 4.352 5.349 -0.997 1
1 47 . 11 1 1 A 6 6 HIS CA C 6 55.000 55.003 -0.003 1
1 48 . 11 1 1 A 6 6 HIS CB C 6 29.504 34.044 -4.540 1
1 49 . 11 1 1 A 6 6 HIS N N 6 117.435 117.878 -0.443 1
1 50 . 11 1 1 A 7 7 ASP H H 7 8.249 8.904 -0.655 1
1 51 . 11 1 1 A 7 7 ASP HA H 7 4.796 5.079 -0.283 1
1 54 . 11 1 1 A 7 7 ASP CA C 7 51.877 51.160 0.717 1
1 55 . 11 1 1 A 7 7 ASP CB C 7 39.384 42.095 -2.711 1
1 56 . 11 1 1 A 7 7 ASP N N 7 120.163 121.950 -1.787 1
1 57 . 11 1 1 A 8 8 PRO HA H 8 4.458 4.395 0.063 1
1 64 . 11 1 1 A 8 8 PRO CA C 8 63.863 64.457 -0.594 1
1 65 . 11 1 1 A 8 8 PRO CB C 8 32.512 31.855 0.657 1
1 66 . 11 1 1 A 9 9 PHE H H 9 7.959 7.812 0.147 1
1 67 . 11 1 1 A 9 9 PHE HA H 9 4.783 4.452 0.331 1
1 72 . 11 1 1 A 9 9 PHE CA C 9 58.261 61.127 -2.866 1
1 73 . 11 1 1 A 9 9 PHE CB C 9 39.190 38.368 0.822 1
1 74 . 11 1 1 A 9 9 PHE N N 9 118.640 117.056 1.584 1
1 75 . 11 1 1 A 10 10 THR H H 10 7.897 7.570 0.327 1
1 76 . 11 1 1 A 10 10 THR HA H 10 4.440 3.858 0.582 1
1 81 . 11 1 1 A 10 10 THR CA C 10 62.056 66.294 -4.238 1
1 82 . 11 1 1 A 10 10 THR CB C 10 70.112 68.436 1.676 1
1 83 . 11 1 1 A 10 10 THR N N 10 112.714 114.064 -1.350 1
1 84 . 11 1 1 A 11 11 TYR H H 11 7.615 7.791 -0.176 1
1 85 . 11 1 1 A 11 11 TYR HA H 11 4.471 5.429 -0.958 1
1 90 . 11 1 1 A 11 11 TYR CA C 11 58.365 56.338 2.027 1
1 91 . 11 1 1 A 11 11 TYR CB C 11 70.116 42.930 27.186 1
1 92 . 11 1 1 A 11 11 TYR N N 11 122.022 116.999 5.023 1
1 93 . 11 1 1 A 12 12 ASP H H 12 7.954 9.508 -1.554 1
1 94 . 11 1 1 A 12 12 ASP HA H 12 4.800 4.961 -0.161 1
1 97 . 11 1 1 A 12 12 ASP CA C 12 53.013 54.428 -1.415 1
1 98 . 11 1 1 A 12 12 ASP CB C 12 39.384 42.643 -3.259 1
1 99 . 11 1 1 A 12 12 ASP N N 12 121.560 124.711 -3.151 1
1 100 . 11 1 1 A 13 13 TYR H H 13 7.949 8.335 -0.386 1
1 101 . 11 1 1 A 13 13 TYR HA H 13 4.435 4.705 -0.270 1
1 106 . 11 1 1 A 13 13 TYR CA C 13 59.555 58.495 1.060 1
1 107 . 11 1 1 A 13 13 TYR CB C 13 39.589 37.850 1.739 1
1 108 . 11 1 1 A 13 13 TYR N N 13 121.914 117.827 4.087 1
1 109 . 11 1 1 A 14 14 GLN H H 14 8.173 8.058 0.115 1
1 110 . 11 1 1 A 14 14 GLN HA H 14 4.222 4.002 0.220 1
1 115 . 11 1 1 A 14 14 GLN CA C 14 57.621 59.164 -1.543 1
1 116 . 11 1 1 A 14 14 GLN CB C 14 28.821 28.357 0.464 1
1 117 . 11 1 1 A 14 14 GLN N N 14 119.118 121.853 -2.735 1
1 118 . 11 1 1 A 15 15 SER H H 15 7.888 8.334 -0.446 1
1 119 . 11 1 1 A 15 15 SER HA H 15 4.485 4.298 0.187 1
1 122 . 11 1 1 A 15 15 SER CA C 15 59.326 61.346 -2.020 1
1 123 . 11 1 1 A 15 15 SER CB C 15 64.123 62.761 1.362 1
1 124 . 11 1 1 A 15 15 SER N N 15 114.275 114.943 -0.668 1
1 125 . 11 1 1 A 16 16 LEU H H 16 7.791 8.048 -0.257 1
1 126 . 11 1 1 A 16 16 LEU HA H 16 4.430 4.252 0.178 1
1 136 . 11 1 1 A 16 16 LEU CA C 16 55.849 55.491 0.358 1
1 137 . 11 1 1 A 16 16 LEU CB C 16 43.036 42.131 0.905 1
1 138 . 11 1 1 A 16 16 LEU N N 16 122.606 123.632 -1.026 1
1 139 . 11 1 1 A 17 17 GLN H H 17 8.281 7.812 0.469 1
1 140 . 11 1 1 A 17 17 GLN HA H 17 4.426 4.142 0.284 1
1 145 . 11 1 1 A 17 17 GLN CA C 17 56.500 58.406 -1.906 1
1 146 . 11 1 1 A 17 17 GLN CB C 17 29.338 28.922 0.416 1
1 147 . 11 1 1 A 17 17 GLN N N 17 120.232 118.517 1.715 1
1 148 . 11 1 1 A 18 18 ILE H H 18 7.807 7.727 0.080 1
1 149 . 11 1 1 A 18 18 ILE HA H 18 4.238 4.167 0.071 1
1 159 . 11 1 1 A 18 18 ILE CA C 18 61.932 63.239 -1.307 1
1 160 . 11 1 1 A 18 18 ILE CB C 18 38.997 38.381 0.616 1
1 161 . 11 1 1 A 18 18 ILE N N 18 118.727 118.815 -0.088 1
1 162 . 11 1 1 A 19 19 GLY H H 19 8.106 8.134 -0.028 1
1 163 . 11 1 1 A 19 19 GLY HA2 H 19 4.054 3.737 0.317 1
1 164 . 11 1 1 A 19 19 GLY HA3 H 19 4.054 3.744 0.310 1
1 165 . 11 1 1 A 19 19 GLY CA C 19 46.338 47.374 -1.036 1
1 166 . 11 1 1 A 19 19 GLY N N 19 109.552 109.501 0.051 1
1 167 . 11 1 1 A 20 20 GLY H H 20 8.305 8.558 -0.253 1
1 168 . 11 1 1 A 20 20 GLY HA2 H 20 3.877 3.875 0.002 1
1 169 . 11 1 1 A 20 20 GLY HA3 H 20 3.877 3.877 0.000 1
1 170 . 11 1 1 A 20 20 GLY CA C 20 47.746 47.026 0.720 1
1 171 . 11 1 1 A 20 20 GLY N N 20 107.332 108.367 -1.035 1
1 172 . 11 1 1 A 21 21 LEU H H 21 8.046 8.087 -0.041 1
1 173 . 11 1 1 A 21 21 LEU HA H 21 4.172 4.064 0.108 1
1 183 . 11 1 1 A 21 21 LEU CA C 21 58.140 57.716 0.424 1
1 184 . 11 1 1 A 21 21 LEU CB C 21 41.812 41.841 -0.029 1
1 185 . 11 1 1 A 21 21 LEU N N 21 119.906 122.916 -3.010 1
1 186 . 11 1 1 A 22 22 VAL H H 22 7.716 8.463 -0.747 1
1 187 . 11 1 1 A 22 22 VAL HA H 22 3.691 3.516 0.175 1
1 195 . 11 1 1 A 22 22 VAL CA C 22 66.872 67.064 -0.192 1
1 196 . 11 1 1 A 22 22 VAL CB C 22 67.290 31.723 35.567 1
1 197 . 11 1 1 A 22 22 VAL N N 22 117.489 117.298 0.191 1
1 198 . 11 1 1 A 23 23 ILE H H 23 7.707 7.782 -0.075 1
1 199 . 11 1 1 A 23 23 ILE HA H 23 3.679 3.834 -0.155 1
1 208 . 11 1 1 A 23 23 ILE CA C 23 65.219 64.322 0.897 1
1 209 . 11 1 1 A 23 23 ILE CB C 23 39.538 37.741 1.797 1
1 210 . 11 1 1 A 23 23 ILE N N 23 117.900 117.704 0.196 1
1 211 . 11 1 1 A 24 24 ALA H H 24 8.248 8.292 -0.044 1
1 215 . 11 1 1 A 24 24 ALA CA C 24 55.723 55.417 0.306 1
1 216 . 11 1 1 A 24 24 ALA CB C 24 18.223 18.811 -0.588 1
1 217 . 11 1 1 A 24 24 ALA N N 24 120.166 124.581 -4.415 1
1 218 . 11 1 1 A 25 25 GLY H H 25 8.482 8.109 0.373 1
1 219 . 11 1 1 A 25 25 GLY HA2 H 25 3.781 3.849 -0.068 1
1 220 . 11 1 1 A 25 25 GLY HA3 H 25 3.692 3.897 -0.205 1
1 221 . 11 1 1 A 25 25 GLY CA C 25 47.860 47.424 0.436 1
1 222 . 11 1 1 A 25 25 GLY N N 25 103.943 105.432 -1.489 1
1 223 . 11 1 1 A 26 26 ILE H H 26 8.401 7.874 0.527 1
1 224 . 11 1 1 A 26 26 ILE HA H 26 3.715 3.834 -0.119 1
1 229 . 11 1 1 A 26 26 ILE CA C 26 65.719 64.689 1.030 1
1 230 . 11 1 1 A 26 26 ILE CB C 26 38.043 37.408 0.635 1
1 231 . 11 1 1 A 26 26 ILE N N 26 120.944 122.734 -1.790 1
1 232 . 11 1 1 A 27 27 LEU H H 27 8.303 8.080 0.223 1
1 233 . 11 1 1 A 27 27 LEU HA H 27 4.011 3.950 0.061 1
1 243 . 11 1 1 A 27 27 LEU CA C 27 58.586 58.337 0.249 1
1 244 . 11 1 1 A 27 27 LEU CB C 27 41.728 41.762 -0.034 1
1 245 . 11 1 1 A 27 27 LEU N N 27 118.806 121.301 -2.495 1
1 246 . 11 1 1 A 28 28 PHE H H 28 8.568 7.699 0.869 1
1 247 . 11 1 1 A 28 28 PHE HA H 28 4.238 4.268 -0.030 1
1 252 . 11 1 1 A 28 28 PHE CA C 28 61.596 61.396 0.200 1
1 253 . 11 1 1 A 28 28 PHE CB C 28 39.690 38.537 1.153 1
1 254 . 11 1 1 A 28 28 PHE N N 28 118.499 116.892 1.607 1
1 255 . 11 1 1 A 29 29 ILE H H 29 8.247 8.415 -0.168 1
1 256 . 11 1 1 A 29 29 ILE HA H 29 3.607 3.747 -0.140 1
1 263 . 11 1 1 A 29 29 ILE CA C 29 65.048 64.673 0.375 1
1 264 . 11 1 1 A 29 29 ILE CB C 29 37.293 37.966 -0.673 1
1 265 . 11 1 1 A 29 29 ILE N N 29 117.892 120.318 -2.426 1
1 266 . 11 1 1 A 30 30 LEU H H 30 8.624 8.698 -0.074 1
1 267 . 11 1 1 A 30 30 LEU HA H 30 4.012 3.975 0.037 1
1 277 . 11 1 1 A 30 30 LEU CA C 30 58.624 57.695 0.929 1
1 278 . 11 1 1 A 30 30 LEU CB C 30 42.011 41.661 0.350 1
1 279 . 11 1 1 A 30 30 LEU N N 30 119.146 121.514 -2.368 1
1 280 . 11 1 1 A 31 31 GLY H H 31 8.754 8.387 0.367 1
1 281 . 11 1 1 A 31 31 GLY HA2 H 31 3.643 3.768 -0.125 1
1 282 . 11 1 1 A 31 31 GLY HA3 H 31 3.643 3.768 -0.125 1
1 283 . 11 1 1 A 31 31 GLY CA C 31 48.068 47.417 0.651 1
1 284 . 11 1 1 A 31 31 GLY N N 31 106.000 106.837 -0.837 1
1 285 . 11 1 1 A 32 32 ILE H H 32 8.303 8.776 -0.473 1
1 286 . 11 1 1 A 32 32 ILE HA H 32 3.622 3.840 -0.218 1
1 296 . 11 1 1 A 32 32 ILE CA C 32 65.126 64.697 0.429 1
1 297 . 11 1 1 A 32 32 ILE CB C 32 39.126 37.736 1.390 1
1 298 . 11 1 1 A 32 32 ILE N N 32 120.840 122.506 -1.666 1
1 299 . 11 1 1 A 33 33 LEU H H 33 8.388 8.032 0.356 1
1 300 . 11 1 1 A 33 33 LEU HA H 33 4.042 4.047 -0.005 1
1 310 . 11 1 1 A 33 33 LEU CA C 33 58.672 58.093 0.579 1
1 311 . 11 1 1 A 33 33 LEU CB C 33 40.359 41.577 -1.218 1
1 312 . 11 1 1 A 33 33 LEU N N 33 119.523 119.323 0.200 1
1 313 . 11 1 1 A 34 34 ILE H H 34 8.703 8.622 0.081 1
1 314 . 11 1 1 A 34 34 ILE HA H 34 3.685 3.548 0.137 1
1 319 . 11 1 1 A 34 34 ILE CA C 34 66.120 65.447 0.673 1
1 320 . 11 1 1 A 34 34 ILE CB C 34 37.627 37.733 -0.106 1
1 321 . 11 1 1 A 34 34 ILE N N 34 120.906 119.755 1.151 1
1 322 . 11 1 1 A 35 35 VAL H H 35 8.359 8.353 0.006 1
1 323 . 11 1 1 A 35 35 VAL HA H 35 3.690 3.626 0.064 1
1 331 . 11 1 1 A 35 35 VAL CA C 35 67.546 66.771 0.775 1
1 332 . 11 1 1 A 35 35 VAL CB C 35 31.619 31.815 -0.196 1
1 333 . 11 1 1 A 35 35 VAL N N 35 120.794 119.208 1.586 1
1 334 . 11 1 1 A 36 36 LEU H H 36 9.002 8.168 0.834 1
1 335 . 11 1 1 A 36 36 LEU HA H 36 4.095 4.054 0.041 1
1 345 . 11 1 1 A 36 36 LEU CA C 36 58.589 57.817 0.772 1
1 346 . 11 1 1 A 36 36 LEU CB C 36 42.017 40.821 1.196 1
1 347 . 11 1 1 A 36 36 LEU N N 36 119.433 117.784 1.649 1
1 348 . 11 1 1 A 37 37 SER H H 37 8.585 8.199 0.386 1
1 349 . 11 1 1 A 37 37 SER HA H 37 4.632 4.097 0.535 1
1 352 . 11 1 1 A 37 37 SER CA C 37 62.896 62.061 0.835 1
1 353 . 11 1 1 A 37 37 SER CB C 37 63.973 62.743 1.230 1
1 354 . 11 1 1 A 37 37 SER N N 37 115.400 114.502 0.898 1
1 355 . 11 1 1 A 38 38 ARG H H 38 8.180 7.792 0.388 1
1 356 . 11 1 1 A 38 38 ARG HA H 38 4.218 4.138 0.080 1
1 363 . 11 1 1 A 38 38 ARG CA C 38 59.259 59.355 -0.096 1
1 364 . 11 1 1 A 38 38 ARG CB C 38 30.751 29.890 0.861 1
1 365 . 11 1 1 A 38 38 ARG N N 38 121.516 121.552 -0.036 1
1 366 . 11 1 1 A 39 39 ARG H H 39 8.362 7.885 0.477 1
1 367 . 11 1 1 A 39 39 ARG HA H 39 4.373 4.052 0.321 1
1 374 . 11 1 1 A 39 39 ARG CA C 39 58.095 58.990 -0.895 1
1 375 . 11 1 1 A 39 39 ARG CB C 39 30.581 30.126 0.455 1
1 376 . 11 1 1 A 39 39 ARG N N 39 117.803 119.168 -1.365 1
1 377 . 11 1 1 A 40 40 CYS H H 40 8.423 7.792 0.631 1
1 378 . 11 1 1 A 40 40 CYS HA H 40 4.447 4.093 0.354 1
1 381 . 11 1 1 A 40 40 CYS CA C 40 61.514 62.592 -1.078 1
1 382 . 11 1 1 A 40 40 CYS CB C 40 28.091 26.385 1.706 1
1 383 . 11 1 1 A 40 40 CYS N N 40 116.351 119.201 -2.850 1
1 384 . 11 1 1 A 41 41 ARG H H 41 8.095 8.319 -0.224 1
1 385 . 11 1 1 A 41 41 ARG HA H 41 4.204 4.048 0.156 1
1 392 . 11 1 1 A 41 41 ARG CA C 41 58.876 59.324 -0.448 1
1 393 . 11 1 1 A 41 41 ARG CB C 41 30.227 30.045 0.182 1
1 394 . 11 1 1 A 41 41 ARG N N 41 119.841 120.471 -0.630 1
1 395 . 11 1 1 A 42 42 CYS H H 42 8.061 7.873 0.188 1
1 396 . 11 1 1 A 42 42 CYS HA H 42 4.435 4.285 0.150 1
1 399 . 11 1 1 A 42 42 CYS CA C 42 60.508 63.531 -3.023 1
1 400 . 11 1 1 A 42 42 CYS CB C 42 27.409 27.964 -0.555 1
1 401 . 11 1 1 A 42 42 CYS N N 42 116.220 117.842 -1.622 1
1 402 . 11 1 1 A 43 43 LYS H H 43 7.936 8.461 -0.525 1
1 403 . 11 1 1 A 43 43 LYS HA H 43 4.244 4.099 0.145 1
1 408 . 11 1 1 A 43 43 LYS CA C 43 57.480 58.913 -1.433 1
1 409 . 11 1 1 A 43 43 LYS CB C 43 32.888 32.105 0.783 1
1 410 . 11 1 1 A 43 43 LYS N N 43 120.337 119.880 0.457 1
1 411 . 11 1 1 A 44 44 PHE H H 44 7.966 8.487 -0.521 1
1 412 . 11 1 1 A 44 44 PHE HA H 44 4.664 4.036 0.628 1
1 417 . 11 1 1 A 44 44 PHE CA C 44 58.606 61.366 -2.760 1
1 418 . 11 1 1 A 44 44 PHE CB C 44 39.452 39.195 0.257 1
1 419 . 11 1 1 A 44 44 PHE N N 44 118.202 120.751 -2.549 1
1 420 . 11 1 1 A 45 45 ASN H H 45 8.147 7.580 0.567 1
1 421 . 11 1 1 A 45 45 ASN HA H 45 4.771 4.493 0.278 1
1 426 . 11 1 1 A 45 45 ASN CA C 45 53.951 53.045 0.906 1
1 427 . 11 1 1 A 45 45 ASN CB C 45 39.301 39.242 0.059 1
1 428 . 11 1 1 A 45 45 ASN N N 45 118.296 117.070 1.226 1
1 430 . 11 1 1 A 46 46 GLN H H 46 8.209 8.454 -0.245 1
1 431 . 11 1 1 A 46 46 GLN HA H 46 4.344 4.176 0.168 1
1 436 . 11 1 1 A 46 46 GLN CA C 46 56.832 59.195 -2.363 1
1 437 . 11 1 1 A 46 46 GLN CB C 46 29.314 28.315 0.999 1
1 438 . 11 1 1 A 46 46 GLN N N 46 119.469 125.953 -6.484 1
1 439 . 11 1 1 A 47 47 GLN H H 47 8.221 8.001 0.220 1
1 440 . 11 1 1 A 47 47 GLN CA C 47 56.832 59.187 -2.355 1
1 441 . 11 1 1 A 47 47 GLN CB C 47 29.314 28.139 1.175 1
1 442 . 11 1 1 A 47 47 GLN N N 47 119.452 119.537 -0.085 1
1 443 . 11 1 1 A 48 48 GLN H H 48 8.058 7.766 0.292 1
1 444 . 11 1 1 A 48 48 GLN HA H 48 4.394 4.234 0.160 1
1 449 . 11 1 1 A 48 48 GLN CA C 48 56.600 58.026 -1.426 1
1 450 . 11 1 1 A 48 48 GLN CB C 48 29.578 29.373 0.205 1
1 451 . 11 1 1 A 48 48 GLN N N 48 119.642 118.330 1.312 1
1 452 . 11 1 1 A 49 49 ARG H H 49 8.255 7.622 0.633 1
1 453 . 11 1 1 A 49 49 ARG HA H 49 4.475 4.747 -0.272 1
1 460 . 11 1 1 A 49 49 ARG CA C 49 56.569 55.657 0.912 1
1 461 . 11 1 1 A 49 49 ARG CB C 49 30.919 33.099 -2.180 1
1 462 . 11 1 1 A 49 49 ARG N N 49 121.599 119.175 2.424 1
1 463 . 11 1 1 A 50 50 THR H H 50 8.113 8.917 -0.804 1
1 464 . 11 1 1 A 50 50 THR HA H 50 4.438 5.007 -0.569 1
1 469 . 11 1 1 A 50 50 THR CA C 50 62.130 60.260 1.870 1
1 470 . 11 1 1 A 50 50 THR CB C 50 70.380 70.949 -0.569 1
1 471 . 11 1 1 A 50 50 THR N N 50 113.660 122.506 -8.846 1
1 472 . 11 1 1 A 51 51 GLY H H 51 8.296 8.287 0.009 1
1 473 . 11 1 1 A 51 51 GLY HA2 H 51 4.060 3.963 0.097 1
1 474 . 11 1 1 A 51 51 GLY HA3 H 51 4.060 3.966 0.094 1
1 475 . 11 1 1 A 51 51 GLY CA C 51 45.374 45.375 -0.001 1
1 476 . 11 1 1 A 51 51 GLY N N 51 110.876 114.624 -3.748 1
1 477 . 11 1 1 A 52 52 GLU H H 52 8.153 7.888 0.265 1
1 478 . 11 1 1 A 52 52 GLU HA H 52 4.729 4.556 0.173 1
1 483 . 11 1 1 A 52 52 GLU CA C 52 54.072 54.744 -0.672 1
1 484 . 11 1 1 A 52 52 GLU CB C 52 29.347 28.910 0.437 1
1 485 . 11 1 1 A 52 52 GLU N N 52 120.834 121.362 -0.528 1
1 486 . 11 1 1 A 53 53 PRO HA H 53 4.495 4.494 0.001 1
1 493 . 11 1 1 A 53 53 PRO CA C 53 63.749 62.757 0.992 1
1 494 . 11 1 1 A 53 53 PRO CB C 53 32.309 32.788 -0.479 1
1 495 . 11 1 1 A 54 54 ASP H H 54 8.402 8.779 -0.377 1
1 496 . 11 1 1 A 54 54 ASP HA H 54 4.677 4.263 0.414 1
1 499 . 11 1 1 A 54 54 ASP CA C 54 54.210 56.387 -2.177 1
1 500 . 11 1 1 A 54 54 ASP CB C 54 40.375 41.090 -0.715 1
1 501 . 11 1 1 A 54 54 ASP N N 54 119.287 120.988 -1.701 1
1 502 . 11 1 1 A 55 55 GLU H H 55 8.249 7.978 0.271 1
1 503 . 11 1 1 A 55 55 GLU HA H 55 4.650 4.137 0.513 1
1 508 . 11 1 1 A 55 55 GLU CA C 55 56.397 57.874 -1.477 1
1 509 . 11 1 1 A 55 55 GLU CB C 55 29.461 28.985 0.476 1
1 510 . 11 1 1 A 55 55 GLU N N 55 120.671 117.762 2.909 1
1 511 . 11 1 1 A 56 56 GLU H H 56 8.257 8.747 -0.490 1
1 512 . 11 1 1 A 56 56 GLU HA H 56 4.396 4.134 0.262 1
1 517 . 11 1 1 A 56 56 GLU CA C 56 56.414 59.277 -2.863 1
1 518 . 11 1 1 A 56 56 GLU CB C 56 29.461 29.808 -0.347 1
1 519 . 11 1 1 A 56 56 GLU N N 56 119.852 126.204 -6.352 1
1 520 . 11 1 1 A 57 57 GLU H H 57 8.311 8.377 -0.066 1
1 521 . 11 1 1 A 57 57 GLU HA H 57 4.453 4.739 -0.286 1
1 526 . 11 1 1 A 57 57 GLU CA C 57 56.350 55.272 1.078 1
1 527 . 11 1 1 A 57 57 GLU CB C 57 29.959 32.208 -2.249 1
1 528 . 11 1 1 A 57 57 GLU N N 57 121.046 114.567 6.479 1
1 529 . 11 1 1 A 58 58 GLY H H 58 8.407 8.176 0.231 1
1 530 . 11 1 1 A 58 58 GLY HA2 H 58 4.190 3.486 0.704 1
1 531 . 11 1 1 A 58 58 GLY HA3 H 58 4.190 4.049 0.141 1
1 532 . 11 1 1 A 58 58 GLY CA C 58 45.841 45.914 -0.073 1
1 533 . 11 1 1 A 58 58 GLY N N 58 109.873 107.261 2.612 1
1 534 . 11 1 1 A 59 59 THR H H 59 8.141 7.164 0.977 1
1 535 . 11 1 1 A 59 59 THR HA H 59 4.348 4.214 0.134 1
1 540 . 11 1 1 A 59 59 THR CA C 59 63.622 64.068 -0.446 1
1 541 . 11 1 1 A 59 59 THR CB C 59 70.393 68.407 1.986 1
1 542 . 11 1 1 A 59 59 THR N N 59 114.486 115.487 -1.001 1
1 543 . 11 1 1 A 60 60 PHE H H 60 8.651 7.937 0.714 1
1 544 . 11 1 1 A 60 60 PHE HA H 60 4.439 3.973 0.466 1
1 549 . 11 1 1 A 60 60 PHE CA C 60 61.359 61.493 -0.134 1
1 550 . 11 1 1 A 60 60 PHE CB C 60 38.960 39.153 -0.193 1
1 551 . 11 1 1 A 60 60 PHE N N 60 123.173 122.744 0.429 1
1 552 . 11 1 1 A 61 61 ARG H H 61 8.247 7.794 0.453 1
1 553 . 11 1 1 A 61 61 ARG HA H 61 3.932 3.967 -0.035 1
1 560 . 11 1 1 A 61 61 ARG CA C 61 59.472 60.181 -0.709 1
1 561 . 11 1 1 A 61 61 ARG CB C 61 30.162 29.842 0.320 1
1 562 . 11 1 1 A 61 61 ARG N N 61 118.197 118.902 -0.705 1
1 563 . 11 1 1 A 62 62 SER H H 62 8.098 8.016 0.082 1
1 564 . 11 1 1 A 62 62 SER HA H 62 4.313 4.109 0.204 1
1 567 . 11 1 1 A 62 62 SER CA C 62 61.112 61.897 -0.785 1
1 568 . 11 1 1 A 62 62 SER CB C 62 63.426 62.793 0.633 1
1 569 . 11 1 1 A 62 62 SER N N 62 113.309 117.385 -4.076 1
1 570 . 11 1 1 A 63 63 SER H H 63 8.050 8.195 -0.145 1
1 571 . 11 1 1 A 63 63 SER HA H 63 4.361 4.117 0.244 1
1 574 . 11 1 1 A 63 63 SER CA C 63 61.816 61.451 0.365 1
1 575 . 11 1 1 A 63 63 SER CB C 63 64.359 62.272 2.087 1
1 576 . 11 1 1 A 63 63 SER N N 63 118.744 115.530 3.214 1
1 577 . 11 1 1 A 64 64 ILE H H 64 7.813 7.250 0.563 1
1 578 . 11 1 1 A 64 64 ILE HA H 64 3.936 3.540 0.396 1
1 588 . 11 1 1 A 64 64 ILE CA C 64 63.557 65.105 -1.548 1
1 589 . 11 1 1 A 64 64 ILE CB C 64 37.482 37.251 0.231 1
1 590 . 11 1 1 A 64 64 ILE N N 64 120.616 122.856 -2.240 1
1 591 . 11 1 1 A 65 65 ARG H H 65 7.863 7.849 0.014 1
1 592 . 11 1 1 A 65 65 ARG HA H 65 4.207 3.892 0.315 1
1 600 . 11 1 1 A 65 65 ARG CA C 65 58.617 59.722 -1.105 1
1 601 . 11 1 1 A 65 65 ARG CB C 65 30.088 29.750 0.338 1
1 602 . 11 1 1 A 65 65 ARG N N 65 120.278 120.358 -0.080 1
1 603 . 11 1 1 A 66 66 ARG H H 66 7.934 8.052 -0.118 1
1 604 . 11 1 1 A 66 66 ARG HA H 66 4.251 4.068 0.183 1
1 611 . 11 1 1 A 66 66 ARG CA C 66 58.512 58.648 -0.136 1
1 612 . 11 1 1 A 66 66 ARG CB C 66 30.618 30.012 0.606 1
1 613 . 11 1 1 A 66 66 ARG N N 66 119.070 117.952 1.118 1
1 614 . 11 1 1 A 67 67 LEU H H 67 8.014 8.367 -0.353 1
1 615 . 11 1 1 A 67 67 LEU HA H 67 4.259 4.053 0.206 1
1 625 . 11 1 1 A 67 67 LEU CA C 67 57.012 57.483 -0.471 1
1 626 . 11 1 1 A 67 67 LEU CB C 67 42.398 41.031 1.367 1
1 627 . 11 1 1 A 67 67 LEU N N 67 119.999 122.053 -2.054 1
1 628 . 11 1 1 A 68 68 SER H H 68 8.091 8.576 -0.485 1
1 629 . 11 1 1 A 68 68 SER HA H 68 4.352 4.194 0.158 1
1 632 . 11 1 1 A 68 68 SER CA C 68 60.421 62.472 -2.051 1
1 633 . 11 1 1 A 68 68 SER CB C 68 63.997 63.331 0.666 1
1 634 . 11 1 1 A 68 68 SER N N 68 113.037 116.750 -3.713 1
1 635 . 11 1 1 A 69 69 THR H H 69 7.765 7.797 -0.032 1
1 640 . 11 1 1 A 69 69 THR CA C 69 63.075 64.229 -1.154 1
1 641 . 11 1 1 A 69 69 THR CB C 69 69.994 70.071 -0.077 1
1 642 . 11 1 1 A 69 69 THR N N 69 113.132 115.133 -2.001 1
1 643 . 11 1 1 A 70 70 ARG H H 70 7.915 8.619 -0.704 1
1 644 . 11 1 1 A 70 70 ARG HA H 70 4.402 4.327 0.075 1
1 651 . 11 1 1 A 70 70 ARG CA C 70 57.068 55.169 1.899 1
1 652 . 11 1 1 A 70 70 ARG CB C 70 30.778 28.802 1.976 1
1 653 . 11 1 1 A 70 70 ARG N N 70 121.113 121.136 -0.023 1
1 654 . 11 1 1 A 71 71 ARG H H 71 7.891 8.457 -0.566 1
1 655 . 11 1 1 A 71 71 ARG HA H 71 4.421 4.646 -0.225 1
1 662 . 11 1 1 A 71 71 ARG CA C 71 56.407 57.612 -1.205 1
1 663 . 11 1 1 A 71 71 ARG CB C 71 31.156 33.299 -2.143 1
1 664 . 11 1 1 A 71 71 ARG N N 71 118.899 122.132 -3.233 1
1 8 . 12 1 1 A 2 2 SER H H 2 8.707 8.675 0.032 1
1 9 . 12 1 1 A 2 2 SER HA H 2 4.638 4.079 0.559 1
1 12 . 12 1 1 A 2 2 SER CA C 2 56.699 58.759 -2.060 1
1 13 . 12 1 1 A 2 2 SER CB C 2 63.978 61.681 2.297 1
1 14 . 12 1 1 A 2 2 SER N N 2 118.975 112.698 6.277 1
1 15 . 12 1 1 A 3 3 PRO HA H 3 4.533 4.443 0.090 1
1 22 . 12 1 1 A 3 3 PRO CA C 3 64.301 64.168 0.133 1
1 23 . 12 1 1 A 3 3 PRO CB C 3 32.998 31.726 1.272 1
1 24 . 12 1 1 A 4 4 LYS H H 4 8.117 8.384 -0.267 1
1 25 . 12 1 1 A 4 4 LYS HA H 4 4.314 4.062 0.252 1
1 32 . 12 1 1 A 4 4 LYS CA C 4 56.918 57.965 -1.047 1
1 33 . 12 1 1 A 4 4 LYS CB C 4 33.010 32.304 0.706 1
1 34 . 12 1 1 A 4 4 LYS N N 4 118.277 116.842 1.435 1
1 35 . 12 1 1 A 5 5 GLU HA H 5 4.302 4.363 -0.061 1
1 40 . 12 1 1 A 5 5 GLU CA C 5 56.505 56.614 -0.109 1
1 41 . 12 1 1 A 5 5 GLU CB C 5 38.736 30.241 8.495 1
1 42 . 12 1 1 A 6 6 HIS H H 6 8.075 8.783 -0.708 1
1 43 . 12 1 1 A 6 6 HIS HA H 6 4.352 4.836 -0.484 1
1 47 . 12 1 1 A 6 6 HIS CA C 6 55.000 56.003 -1.003 1
1 48 . 12 1 1 A 6 6 HIS CB C 6 29.504 30.727 -1.223 1
1 49 . 12 1 1 A 6 6 HIS N N 6 117.435 120.422 -2.987 1
1 50 . 12 1 1 A 7 7 ASP H H 7 8.249 9.071 -0.822 1
1 51 . 12 1 1 A 7 7 ASP HA H 7 4.796 4.839 -0.043 1
1 54 . 12 1 1 A 7 7 ASP CA C 7 51.877 52.588 -0.711 1
1 55 . 12 1 1 A 7 7 ASP CB C 7 39.384 40.425 -1.041 1
1 56 . 12 1 1 A 7 7 ASP N N 7 120.163 121.971 -1.808 1
1 57 . 12 1 1 A 8 8 PRO HA H 8 4.458 4.508 -0.050 1
1 64 . 12 1 1 A 8 8 PRO CA C 8 63.863 64.611 -0.748 1
1 65 . 12 1 1 A 8 8 PRO CB C 8 32.512 31.845 0.667 1
1 66 . 12 1 1 A 9 9 PHE H H 9 7.959 7.936 0.023 1
1 67 . 12 1 1 A 9 9 PHE HA H 9 4.783 4.153 0.630 1
1 72 . 12 1 1 A 9 9 PHE CA C 9 58.261 61.804 -3.543 1
1 73 . 12 1 1 A 9 9 PHE CB C 9 39.190 39.593 -0.403 1
1 74 . 12 1 1 A 9 9 PHE N N 9 118.640 119.383 -0.743 1
1 75 . 12 1 1 A 10 10 THR H H 10 7.897 7.847 0.050 1
1 76 . 12 1 1 A 10 10 THR HA H 10 4.440 4.140 0.300 1
1 81 . 12 1 1 A 10 10 THR CA C 10 62.056 66.570 -4.514 1
1 82 . 12 1 1 A 10 10 THR CB C 10 70.112 68.840 1.272 1
1 83 . 12 1 1 A 10 10 THR N N 10 112.714 114.050 -1.336 1
1 84 . 12 1 1 A 11 11 TYR H H 11 7.615 8.223 -0.608 1
1 85 . 12 1 1 A 11 11 TYR HA H 11 4.471 5.141 -0.670 1
1 90 . 12 1 1 A 11 11 TYR CA C 11 58.365 56.791 1.574 1
1 91 . 12 1 1 A 11 11 TYR CB C 11 70.116 40.925 29.191 1
1 92 . 12 1 1 A 11 11 TYR N N 11 122.022 117.110 4.912 1
1 93 . 12 1 1 A 12 12 ASP H H 12 7.954 8.644 -0.690 1
1 94 . 12 1 1 A 12 12 ASP HA H 12 4.800 4.733 0.067 1
1 97 . 12 1 1 A 12 12 ASP CA C 12 53.013 53.250 -0.237 1
1 98 . 12 1 1 A 12 12 ASP CB C 12 39.384 40.386 -1.002 1
1 99 . 12 1 1 A 12 12 ASP N N 12 121.560 121.550 0.010 1
1 100 . 12 1 1 A 13 13 TYR H H 13 7.949 7.995 -0.046 1
1 101 . 12 1 1 A 13 13 TYR HA H 13 4.435 4.721 -0.286 1
1 106 . 12 1 1 A 13 13 TYR CA C 13 59.555 58.363 1.192 1
1 107 . 12 1 1 A 13 13 TYR CB C 13 39.589 37.933 1.656 1
1 108 . 12 1 1 A 13 13 TYR N N 13 121.914 119.165 2.749 1
1 109 . 12 1 1 A 14 14 GLN H H 14 8.173 8.041 0.132 1
1 110 . 12 1 1 A 14 14 GLN HA H 14 4.222 4.260 -0.038 1
1 115 . 12 1 1 A 14 14 GLN CA C 14 57.621 59.164 -1.543 1
1 116 . 12 1 1 A 14 14 GLN CB C 14 28.821 28.318 0.503 1
1 117 . 12 1 1 A 14 14 GLN N N 14 119.118 121.840 -2.722 1
1 118 . 12 1 1 A 15 15 SER H H 15 7.888 8.363 -0.475 1
1 119 . 12 1 1 A 15 15 SER HA H 15 4.485 4.337 0.148 1
1 122 . 12 1 1 A 15 15 SER CA C 15 59.326 61.281 -1.955 1
1 123 . 12 1 1 A 15 15 SER CB C 15 64.123 62.917 1.206 1
1 124 . 12 1 1 A 15 15 SER N N 15 114.275 114.604 -0.329 1
1 125 . 12 1 1 A 16 16 LEU H H 16 7.791 8.233 -0.442 1
1 126 . 12 1 1 A 16 16 LEU HA H 16 4.430 4.185 0.245 1
1 136 . 12 1 1 A 16 16 LEU CA C 16 55.849 56.664 -0.815 1
1 137 . 12 1 1 A 16 16 LEU CB C 16 43.036 42.320 0.716 1
1 138 . 12 1 1 A 16 16 LEU N N 16 122.606 123.939 -1.333 1
1 139 . 12 1 1 A 17 17 GLN H H 17 8.281 7.882 0.399 1
1 140 . 12 1 1 A 17 17 GLN HA H 17 4.426 4.153 0.273 1
1 145 . 12 1 1 A 17 17 GLN CA C 17 56.500 58.412 -1.912 1
1 146 . 12 1 1 A 17 17 GLN CB C 17 29.338 28.930 0.408 1
1 147 . 12 1 1 A 17 17 GLN N N 17 120.232 117.660 2.572 1
1 148 . 12 1 1 A 18 18 ILE H H 18 7.807 7.923 -0.116 1
1 149 . 12 1 1 A 18 18 ILE HA H 18 4.238 4.096 0.142 1
1 159 . 12 1 1 A 18 18 ILE CA C 18 61.932 64.168 -2.236 1
1 160 . 12 1 1 A 18 18 ILE CB C 18 38.997 38.195 0.802 1
1 161 . 12 1 1 A 18 18 ILE N N 18 118.727 119.023 -0.296 1
1 162 . 12 1 1 A 19 19 GLY H H 19 8.106 7.992 0.114 1
1 163 . 12 1 1 A 19 19 GLY HA2 H 19 4.054 3.781 0.273 1
1 164 . 12 1 1 A 19 19 GLY HA3 H 19 4.054 3.787 0.267 1
1 165 . 12 1 1 A 19 19 GLY CA C 19 46.338 47.364 -1.026 1
1 166 . 12 1 1 A 19 19 GLY N N 19 109.552 109.077 0.475 1
1 167 . 12 1 1 A 20 20 GLY H H 20 8.305 8.678 -0.373 1
1 168 . 12 1 1 A 20 20 GLY HA2 H 20 3.877 3.856 0.021 1
1 169 . 12 1 1 A 20 20 GLY HA3 H 20 3.877 3.858 0.019 1
1 170 . 12 1 1 A 20 20 GLY CA C 20 47.746 47.056 0.690 1
1 171 . 12 1 1 A 20 20 GLY N N 20 107.332 108.459 -1.127 1
1 172 . 12 1 1 A 21 21 LEU H H 21 8.046 7.978 0.068 1
1 173 . 12 1 1 A 21 21 LEU HA H 21 4.172 4.029 0.143 1
1 183 . 12 1 1 A 21 21 LEU CA C 21 58.140 57.753 0.387 1
1 184 . 12 1 1 A 21 21 LEU CB C 21 41.812 41.793 0.019 1
1 185 . 12 1 1 A 21 21 LEU N N 21 119.906 122.935 -3.029 1
1 186 . 12 1 1 A 22 22 VAL H H 22 7.716 8.412 -0.696 1
1 187 . 12 1 1 A 22 22 VAL HA H 22 3.691 3.493 0.198 1
1 195 . 12 1 1 A 22 22 VAL CA C 22 66.872 67.130 -0.258 1
1 196 . 12 1 1 A 22 22 VAL CB C 22 67.290 31.647 35.643 1
1 197 . 12 1 1 A 22 22 VAL N N 22 117.489 117.442 0.047 1
1 198 . 12 1 1 A 23 23 ILE H H 23 7.707 7.765 -0.058 1
1 199 . 12 1 1 A 23 23 ILE HA H 23 3.679 3.833 -0.154 1
1 208 . 12 1 1 A 23 23 ILE CA C 23 65.219 64.452 0.767 1
1 209 . 12 1 1 A 23 23 ILE CB C 23 39.538 37.760 1.778 1
1 210 . 12 1 1 A 23 23 ILE N N 23 117.900 117.701 0.199 1
1 211 . 12 1 1 A 24 24 ALA H H 24 8.248 8.173 0.075 1
1 215 . 12 1 1 A 24 24 ALA CA C 24 55.723 55.336 0.387 1
1 216 . 12 1 1 A 24 24 ALA CB C 24 18.223 18.532 -0.309 1
1 217 . 12 1 1 A 24 24 ALA N N 24 120.166 124.569 -4.403 1
1 218 . 12 1 1 A 25 25 GLY H H 25 8.482 8.044 0.438 1
1 219 . 12 1 1 A 25 25 GLY HA2 H 25 3.781 3.813 -0.032 1
1 220 . 12 1 1 A 25 25 GLY HA3 H 25 3.692 3.835 -0.143 1
1 221 . 12 1 1 A 25 25 GLY CA C 25 47.860 47.424 0.436 1
1 222 . 12 1 1 A 25 25 GLY N N 25 103.943 105.285 -1.342 1
1 223 . 12 1 1 A 26 26 ILE H H 26 8.401 7.855 0.546 1
1 224 . 12 1 1 A 26 26 ILE HA H 26 3.715 3.831 -0.116 1
1 229 . 12 1 1 A 26 26 ILE CA C 26 65.719 64.699 1.020 1
1 230 . 12 1 1 A 26 26 ILE CB C 26 38.043 37.724 0.319 1
1 231 . 12 1 1 A 26 26 ILE N N 26 120.944 122.710 -1.766 1
1 232 . 12 1 1 A 27 27 LEU H H 27 8.303 7.985 0.318 1
1 233 . 12 1 1 A 27 27 LEU HA H 27 4.011 4.016 -0.005 1
1 243 . 12 1 1 A 27 27 LEU CA C 27 58.586 58.370 0.216 1
1 244 . 12 1 1 A 27 27 LEU CB C 27 41.728 41.853 -0.125 1
1 245 . 12 1 1 A 27 27 LEU N N 27 118.806 121.245 -2.439 1
1 246 . 12 1 1 A 28 28 PHE H H 28 8.568 8.314 0.254 1
1 247 . 12 1 1 A 28 28 PHE HA H 28 4.238 4.141 0.097 1
1 252 . 12 1 1 A 28 28 PHE CA C 28 61.596 60.891 0.705 1
1 253 . 12 1 1 A 28 28 PHE CB C 28 39.690 39.239 0.451 1
1 254 . 12 1 1 A 28 28 PHE N N 28 118.499 119.014 -0.515 1
1 255 . 12 1 1 A 29 29 ILE H H 29 8.247 8.515 -0.268 1
1 256 . 12 1 1 A 29 29 ILE HA H 29 3.607 3.712 -0.105 1
1 263 . 12 1 1 A 29 29 ILE CA C 29 65.048 65.127 -0.079 1
1 264 . 12 1 1 A 29 29 ILE CB C 29 37.293 37.940 -0.647 1
1 265 . 12 1 1 A 29 29 ILE N N 29 117.892 120.744 -2.852 1
1 266 . 12 1 1 A 30 30 LEU H H 30 8.624 8.585 0.039 1
1 267 . 12 1 1 A 30 30 LEU HA H 30 4.012 4.002 0.010 1
1 277 . 12 1 1 A 30 30 LEU CA C 30 58.624 57.976 0.648 1
1 278 . 12 1 1 A 30 30 LEU CB C 30 42.011 41.671 0.340 1
1 279 . 12 1 1 A 30 30 LEU N N 30 119.146 120.625 -1.479 1
1 280 . 12 1 1 A 31 31 GLY H H 31 8.754 8.339 0.415 1
1 281 . 12 1 1 A 31 31 GLY HA2 H 31 3.643 3.460 0.183 1
1 282 . 12 1 1 A 31 31 GLY HA3 H 31 3.643 3.628 0.015 1
1 283 . 12 1 1 A 31 31 GLY CA C 31 48.068 47.254 0.814 1
1 284 . 12 1 1 A 31 31 GLY N N 31 106.000 106.505 -0.505 1
1 285 . 12 1 1 A 32 32 ILE H H 32 8.303 8.007 0.296 1
1 286 . 12 1 1 A 32 32 ILE HA H 32 3.622 3.628 -0.006 1
1 296 . 12 1 1 A 32 32 ILE CA C 32 65.126 64.430 0.696 1
1 297 . 12 1 1 A 32 32 ILE CB C 32 39.126 37.776 1.350 1
1 298 . 12 1 1 A 32 32 ILE N N 32 120.840 122.221 -1.381 1
1 299 . 12 1 1 A 33 33 LEU H H 33 8.388 7.969 0.419 1
1 300 . 12 1 1 A 33 33 LEU HA H 33 4.042 3.969 0.073 1
1 310 . 12 1 1 A 33 33 LEU CA C 33 58.672 57.953 0.719 1
1 311 . 12 1 1 A 33 33 LEU CB C 33 40.359 41.556 -1.197 1
1 312 . 12 1 1 A 33 33 LEU N N 33 119.523 119.248 0.275 1
1 313 . 12 1 1 A 34 34 ILE H H 34 8.703 8.724 -0.021 1
1 314 . 12 1 1 A 34 34 ILE HA H 34 3.685 3.508 0.177 1
1 319 . 12 1 1 A 34 34 ILE CA C 34 66.120 65.378 0.742 1
1 320 . 12 1 1 A 34 34 ILE CB C 34 37.627 37.704 -0.077 1
1 321 . 12 1 1 A 34 34 ILE N N 34 120.906 119.419 1.487 1
1 322 . 12 1 1 A 35 35 VAL H H 35 8.359 7.998 0.361 1
1 323 . 12 1 1 A 35 35 VAL HA H 35 3.690 3.575 0.115 1
1 331 . 12 1 1 A 35 35 VAL CA C 35 67.546 66.695 0.851 1
1 332 . 12 1 1 A 35 35 VAL CB C 35 31.619 31.738 -0.119 1
1 333 . 12 1 1 A 35 35 VAL N N 35 120.794 119.178 1.616 1
1 334 . 12 1 1 A 36 36 LEU H H 36 9.002 8.100 0.902 1
1 335 . 12 1 1 A 36 36 LEU HA H 36 4.095 4.014 0.081 1
1 345 . 12 1 1 A 36 36 LEU CA C 36 58.589 57.769 0.820 1
1 346 . 12 1 1 A 36 36 LEU CB C 36 42.017 40.839 1.178 1
1 347 . 12 1 1 A 36 36 LEU N N 36 119.433 117.919 1.514 1
1 348 . 12 1 1 A 37 37 SER H H 37 8.585 8.157 0.428 1
1 349 . 12 1 1 A 37 37 SER HA H 37 4.632 4.061 0.571 1
1 352 . 12 1 1 A 37 37 SER CA C 37 62.896 62.005 0.891 1
1 353 . 12 1 1 A 37 37 SER CB C 37 63.973 62.730 1.243 1
1 354 . 12 1 1 A 37 37 SER N N 37 115.400 114.359 1.041 1
1 355 . 12 1 1 A 38 38 ARG H H 38 8.180 8.147 0.033 1
1 356 . 12 1 1 A 38 38 ARG HA H 38 4.218 4.026 0.192 1
1 363 . 12 1 1 A 38 38 ARG CA C 38 59.259 59.011 0.248 1
1 364 . 12 1 1 A 38 38 ARG CB C 38 30.751 30.056 0.695 1
1 365 . 12 1 1 A 38 38 ARG N N 38 121.516 120.455 1.061 1
1 366 . 12 1 1 A 39 39 ARG H H 39 8.362 7.595 0.767 1
1 367 . 12 1 1 A 39 39 ARG HA H 39 4.373 4.082 0.291 1
1 374 . 12 1 1 A 39 39 ARG CA C 39 58.095 58.878 -0.783 1
1 375 . 12 1 1 A 39 39 ARG CB C 39 30.581 29.991 0.590 1
1 376 . 12 1 1 A 39 39 ARG N N 39 117.803 119.360 -1.557 1
1 377 . 12 1 1 A 40 40 CYS H H 40 8.423 8.148 0.275 1
1 378 . 12 1 1 A 40 40 CYS HA H 40 4.447 4.134 0.313 1
1 381 . 12 1 1 A 40 40 CYS CA C 40 61.514 63.116 -1.602 1
1 382 . 12 1 1 A 40 40 CYS CB C 40 28.091 26.376 1.715 1
1 383 . 12 1 1 A 40 40 CYS N N 40 116.351 118.340 -1.989 1
1 384 . 12 1 1 A 41 41 ARG H H 41 8.095 7.604 0.491 1
1 385 . 12 1 1 A 41 41 ARG HA H 41 4.204 3.834 0.370 1
1 392 . 12 1 1 A 41 41 ARG CA C 41 58.876 59.036 -0.160 1
1 393 . 12 1 1 A 41 41 ARG CB C 41 30.227 29.905 0.322 1
1 394 . 12 1 1 A 41 41 ARG N N 41 119.841 120.481 -0.640 1
1 395 . 12 1 1 A 42 42 CYS H H 42 8.061 7.721 0.340 1
1 396 . 12 1 1 A 42 42 CYS HA H 42 4.435 4.198 0.237 1
1 399 . 12 1 1 A 42 42 CYS CA C 42 60.508 63.995 -3.487 1
1 400 . 12 1 1 A 42 42 CYS CB C 42 27.409 27.667 -0.258 1
1 401 . 12 1 1 A 42 42 CYS N N 42 116.220 118.043 -1.823 1
1 402 . 12 1 1 A 43 43 LYS H H 43 7.936 7.934 0.002 1
1 403 . 12 1 1 A 43 43 LYS HA H 43 4.244 4.244 0.000 1
1 408 . 12 1 1 A 43 43 LYS CA C 43 57.480 58.007 -0.527 1
1 409 . 12 1 1 A 43 43 LYS CB C 43 32.888 32.374 0.514 1
1 410 . 12 1 1 A 43 43 LYS N N 43 120.337 120.186 0.151 1
1 411 . 12 1 1 A 44 44 PHE H H 44 7.966 8.754 -0.788 1
1 412 . 12 1 1 A 44 44 PHE HA H 44 4.664 4.359 0.305 1
1 417 . 12 1 1 A 44 44 PHE CA C 44 58.606 59.422 -0.816 1
1 418 . 12 1 1 A 44 44 PHE CB C 44 39.452 38.910 0.542 1
1 419 . 12 1 1 A 44 44 PHE N N 44 118.202 118.511 -0.309 1
1 420 . 12 1 1 A 45 45 ASN H H 45 8.147 8.091 0.056 1
1 421 . 12 1 1 A 45 45 ASN HA H 45 4.771 4.878 -0.107 1
1 426 . 12 1 1 A 45 45 ASN CA C 45 53.951 52.614 1.337 1
1 427 . 12 1 1 A 45 45 ASN CB C 45 39.301 40.033 -0.732 1
1 428 . 12 1 1 A 45 45 ASN N N 45 118.296 114.143 4.153 1
1 430 . 12 1 1 A 46 46 GLN H H 46 8.209 7.657 0.552 1
1 431 . 12 1 1 A 46 46 GLN HA H 46 4.344 3.908 0.436 1
1 436 . 12 1 1 A 46 46 GLN CA C 46 56.832 59.263 -2.431 1
1 437 . 12 1 1 A 46 46 GLN CB C 46 29.314 28.632 0.682 1
1 438 . 12 1 1 A 46 46 GLN N N 46 119.469 121.111 -1.642 1
1 439 . 12 1 1 A 47 47 GLN H H 47 8.221 7.953 0.268 1
1 440 . 12 1 1 A 47 47 GLN CA C 47 56.832 58.540 -1.708 1
1 441 . 12 1 1 A 47 47 GLN CB C 47 29.314 28.322 0.992 1
1 442 . 12 1 1 A 47 47 GLN N N 47 119.452 118.661 0.791 1
1 443 . 12 1 1 A 48 48 GLN H H 48 8.058 7.706 0.352 1
1 444 . 12 1 1 A 48 48 GLN HA H 48 4.394 4.154 0.240 1
1 449 . 12 1 1 A 48 48 GLN CA C 48 56.600 58.428 -1.828 1
1 450 . 12 1 1 A 48 48 GLN CB C 48 29.578 29.051 0.527 1
1 451 . 12 1 1 A 48 48 GLN N N 48 119.642 118.370 1.272 1
1 452 . 12 1 1 A 49 49 ARG H H 49 8.255 7.289 0.966 1
1 453 . 12 1 1 A 49 49 ARG HA H 49 4.475 4.682 -0.207 1
1 460 . 12 1 1 A 49 49 ARG CA C 49 56.569 55.058 1.511 1
1 461 . 12 1 1 A 49 49 ARG CB C 49 30.919 32.911 -1.992 1
1 462 . 12 1 1 A 49 49 ARG N N 49 121.599 115.205 6.394 1
1 463 . 12 1 1 A 50 50 THR H H 50 8.113 8.798 -0.685 1
1 464 . 12 1 1 A 50 50 THR HA H 50 4.438 4.931 -0.493 1
1 469 . 12 1 1 A 50 50 THR CA C 50 62.130 60.368 1.762 1
1 470 . 12 1 1 A 50 50 THR CB C 50 70.380 71.026 -0.646 1
1 471 . 12 1 1 A 50 50 THR N N 50 113.660 115.759 -2.099 1
1 472 . 12 1 1 A 51 51 GLY H H 51 8.296 8.495 -0.199 1
1 473 . 12 1 1 A 51 51 GLY HA2 H 51 4.060 4.002 0.058 1
1 474 . 12 1 1 A 51 51 GLY HA3 H 51 4.060 4.003 0.057 1
1 475 . 12 1 1 A 51 51 GLY CA C 51 45.374 45.773 -0.399 1
1 476 . 12 1 1 A 51 51 GLY N N 51 110.876 114.134 -3.258 1
1 477 . 12 1 1 A 52 52 GLU H H 52 8.153 8.425 -0.272 1
1 478 . 12 1 1 A 52 52 GLU HA H 52 4.729 4.931 -0.202 1
1 483 . 12 1 1 A 52 52 GLU CA C 52 54.072 53.709 0.363 1
1 484 . 12 1 1 A 52 52 GLU CB C 52 29.347 31.208 -1.861 1
1 485 . 12 1 1 A 52 52 GLU N N 52 120.834 120.400 0.434 1
1 486 . 12 1 1 A 53 53 PRO HA H 53 4.495 4.330 0.165 1
1 493 . 12 1 1 A 53 53 PRO CA C 53 63.749 63.150 0.599 1
1 494 . 12 1 1 A 53 53 PRO CB C 53 32.309 32.648 -0.339 1
1 495 . 12 1 1 A 54 54 ASP H H 54 8.402 8.833 -0.431 1
1 496 . 12 1 1 A 54 54 ASP HA H 54 4.677 4.396 0.281 1
1 499 . 12 1 1 A 54 54 ASP CA C 54 54.210 56.213 -2.003 1
1 500 . 12 1 1 A 54 54 ASP CB C 54 40.375 39.477 0.898 1
1 501 . 12 1 1 A 54 54 ASP N N 54 119.287 116.854 2.433 1
1 502 . 12 1 1 A 55 55 GLU H H 55 8.249 8.524 -0.275 1
1 503 . 12 1 1 A 55 55 GLU HA H 55 4.650 4.294 0.356 1
1 508 . 12 1 1 A 55 55 GLU CA C 55 56.397 57.495 -1.098 1
1 509 . 12 1 1 A 55 55 GLU CB C 55 29.461 30.451 -0.990 1
1 510 . 12 1 1 A 55 55 GLU N N 55 120.671 120.563 0.108 1
1 511 . 12 1 1 A 56 56 GLU H H 56 8.257 8.701 -0.444 1
1 512 . 12 1 1 A 56 56 GLU HA H 56 4.396 4.988 -0.592 1
1 517 . 12 1 1 A 56 56 GLU CA C 56 56.414 55.123 1.291 1
1 518 . 12 1 1 A 56 56 GLU CB C 56 29.461 32.633 -3.172 1
1 519 . 12 1 1 A 56 56 GLU N N 56 119.852 123.230 -3.378 1
1 520 . 12 1 1 A 57 57 GLU H H 57 8.311 8.867 -0.556 1
1 521 . 12 1 1 A 57 57 GLU HA H 57 4.453 4.686 -0.233 1
1 526 . 12 1 1 A 57 57 GLU CA C 57 56.350 55.351 0.999 1
1 527 . 12 1 1 A 57 57 GLU CB C 57 29.959 29.507 0.452 1
1 528 . 12 1 1 A 57 57 GLU N N 57 121.046 124.640 -3.594 1
1 529 . 12 1 1 A 58 58 GLY H H 58 8.407 8.347 0.060 1
1 530 . 12 1 1 A 58 58 GLY HA2 H 58 4.190 4.048 0.142 1
1 531 . 12 1 1 A 58 58 GLY HA3 H 58 4.190 4.051 0.139 1
1 532 . 12 1 1 A 58 58 GLY CA C 58 45.841 44.414 1.427 1
1 533 . 12 1 1 A 58 58 GLY N N 58 109.873 109.397 0.476 1
1 534 . 12 1 1 A 59 59 THR H H 59 8.141 8.427 -0.286 1
1 535 . 12 1 1 A 59 59 THR HA H 59 4.348 4.569 -0.221 1
1 540 . 12 1 1 A 59 59 THR CA C 59 63.622 61.705 1.917 1
1 541 . 12 1 1 A 59 59 THR CB C 59 70.393 70.971 -0.578 1
1 542 . 12 1 1 A 59 59 THR N N 59 114.486 113.023 1.463 1
1 543 . 12 1 1 A 60 60 PHE H H 60 8.651 9.103 -0.452 1
1 544 . 12 1 1 A 60 60 PHE HA H 60 4.439 4.178 0.261 1
1 549 . 12 1 1 A 60 60 PHE CA C 60 61.359 61.571 -0.212 1
1 550 . 12 1 1 A 60 60 PHE CB C 60 38.960 38.844 0.116 1
1 551 . 12 1 1 A 60 60 PHE N N 60 123.173 122.541 0.632 1
1 552 . 12 1 1 A 61 61 ARG H H 61 8.247 8.238 0.009 1
1 553 . 12 1 1 A 61 61 ARG HA H 61 3.932 3.974 -0.042 1
1 560 . 12 1 1 A 61 61 ARG CA C 61 59.472 59.879 -0.407 1
1 561 . 12 1 1 A 61 61 ARG CB C 61 30.162 30.083 0.079 1
1 562 . 12 1 1 A 61 61 ARG N N 61 118.197 117.851 0.346 1
1 563 . 12 1 1 A 62 62 SER H H 62 8.098 7.453 0.645 1
1 564 . 12 1 1 A 62 62 SER HA H 62 4.313 4.184 0.129 1
1 567 . 12 1 1 A 62 62 SER CA C 62 61.112 61.416 -0.304 1
1 568 . 12 1 1 A 62 62 SER CB C 62 63.426 63.022 0.404 1
1 569 . 12 1 1 A 62 62 SER N N 62 113.309 116.175 -2.866 1
1 570 . 12 1 1 A 63 63 SER H H 63 8.050 7.675 0.375 1
1 571 . 12 1 1 A 63 63 SER HA H 63 4.361 4.183 0.178 1
1 574 . 12 1 1 A 63 63 SER CA C 63 61.816 61.374 0.442 1
1 575 . 12 1 1 A 63 63 SER CB C 63 64.359 63.006 1.353 1
1 576 . 12 1 1 A 63 63 SER N N 63 118.744 115.442 3.302 1
1 577 . 12 1 1 A 64 64 ILE H H 64 7.813 7.807 0.006 1
1 578 . 12 1 1 A 64 64 ILE HA H 64 3.936 3.664 0.272 1
1 588 . 12 1 1 A 64 64 ILE CA C 64 63.557 65.240 -1.683 1
1 589 . 12 1 1 A 64 64 ILE CB C 64 37.482 37.340 0.142 1
1 590 . 12 1 1 A 64 64 ILE N N 64 120.616 122.056 -1.440 1
1 591 . 12 1 1 A 65 65 ARG H H 65 7.863 7.838 0.025 1
1 592 . 12 1 1 A 65 65 ARG HA H 65 4.207 3.884 0.323 1
1 600 . 12 1 1 A 65 65 ARG CA C 65 58.617 59.151 -0.534 1
1 601 . 12 1 1 A 65 65 ARG CB C 65 30.088 29.773 0.315 1
1 602 . 12 1 1 A 65 65 ARG N N 65 120.278 121.656 -1.378 1
1 603 . 12 1 1 A 66 66 ARG H H 66 7.934 7.687 0.247 1
1 604 . 12 1 1 A 66 66 ARG HA H 66 4.251 4.086 0.165 1
1 611 . 12 1 1 A 66 66 ARG CA C 66 58.512 58.706 -0.194 1
1 612 . 12 1 1 A 66 66 ARG CB C 66 30.618 30.152 0.466 1
1 613 . 12 1 1 A 66 66 ARG N N 66 119.070 120.244 -1.174 1
1 614 . 12 1 1 A 67 67 LEU H H 67 8.014 8.427 -0.413 1
1 615 . 12 1 1 A 67 67 LEU HA H 67 4.259 4.096 0.163 1
1 625 . 12 1 1 A 67 67 LEU CA C 67 57.012 57.539 -0.527 1
1 626 . 12 1 1 A 67 67 LEU CB C 67 42.398 41.106 1.292 1
1 627 . 12 1 1 A 67 67 LEU N N 67 119.999 120.572 -0.573 1
1 628 . 12 1 1 A 68 68 SER H H 68 8.091 8.346 -0.255 1
1 629 . 12 1 1 A 68 68 SER HA H 68 4.352 4.160 0.192 1
1 632 . 12 1 1 A 68 68 SER CA C 68 60.421 62.605 -2.184 1
1 633 . 12 1 1 A 68 68 SER CB C 68 63.997 63.292 0.705 1
1 634 . 12 1 1 A 68 68 SER N N 68 113.037 116.560 -3.523 1
1 635 . 12 1 1 A 69 69 THR H H 69 7.765 7.913 -0.148 1
1 640 . 12 1 1 A 69 69 THR CA C 69 63.075 62.744 0.331 1
1 641 . 12 1 1 A 69 69 THR CB C 69 69.994 70.805 -0.811 1
1 642 . 12 1 1 A 69 69 THR N N 69 113.132 110.026 3.106 1
1 643 . 12 1 1 A 70 70 ARG H H 70 7.915 8.881 -0.966 1
1 644 . 12 1 1 A 70 70 ARG HA H 70 4.402 4.397 0.005 1
1 651 . 12 1 1 A 70 70 ARG CA C 70 57.068 58.451 -1.383 1
1 652 . 12 1 1 A 70 70 ARG CB C 70 30.778 30.012 0.766 1
1 653 . 12 1 1 A 70 70 ARG N N 70 121.113 121.417 -0.304 1
1 654 . 12 1 1 A 71 71 ARG H H 71 7.891 8.105 -0.214 1
1 655 . 12 1 1 A 71 71 ARG HA H 71 4.421 4.732 -0.311 1
1 662 . 12 1 1 A 71 71 ARG CA C 71 56.407 54.422 1.985 1
1 663 . 12 1 1 A 71 71 ARG CB C 71 31.156 33.943 -2.787 1
1 664 . 12 1 1 A 71 71 ARG N N 71 118.899 118.679 0.220 1
1 8 . 13 1 1 A 2 2 SER H H 2 8.707 8.027 0.680 1
1 9 . 13 1 1 A 2 2 SER HA H 2 4.638 4.950 -0.312 1
1 12 . 13 1 1 A 2 2 SER CA C 2 56.699 55.550 1.149 1
1 13 . 13 1 1 A 2 2 SER CB C 2 63.978 63.501 0.477 1
1 14 . 13 1 1 A 2 2 SER N N 2 118.975 113.270 5.705 1
1 15 . 13 1 1 A 3 3 PRO HA H 3 4.533 4.390 0.143 1
1 22 . 13 1 1 A 3 3 PRO CA C 3 64.301 64.143 0.158 1
1 23 . 13 1 1 A 3 3 PRO CB C 3 32.998 31.785 1.213 1
1 24 . 13 1 1 A 4 4 LYS H H 4 8.117 8.294 -0.177 1
1 25 . 13 1 1 A 4 4 LYS HA H 4 4.314 4.038 0.276 1
1 32 . 13 1 1 A 4 4 LYS CA C 4 56.918 57.895 -0.977 1
1 33 . 13 1 1 A 4 4 LYS CB C 4 33.010 32.291 0.719 1
1 34 . 13 1 1 A 4 4 LYS N N 4 118.277 116.776 1.501 1
1 35 . 13 1 1 A 5 5 GLU HA H 5 4.302 3.811 0.491 1
1 40 . 13 1 1 A 5 5 GLU CA C 5 56.505 56.434 0.071 1
1 41 . 13 1 1 A 5 5 GLU CB C 5 38.736 30.014 8.722 1
1 42 . 13 1 1 A 6 6 HIS H H 6 8.075 8.179 -0.104 1
1 43 . 13 1 1 A 6 6 HIS HA H 6 4.352 4.800 -0.448 1
1 47 . 13 1 1 A 6 6 HIS CA C 6 55.000 56.304 -1.304 1
1 48 . 13 1 1 A 6 6 HIS CB C 6 29.504 31.104 -1.600 1
1 49 . 13 1 1 A 6 6 HIS N N 6 117.435 121.061 -3.626 1
1 50 . 13 1 1 A 7 7 ASP H H 7 8.249 9.317 -1.068 1
1 51 . 13 1 1 A 7 7 ASP HA H 7 4.796 4.339 0.457 1
1 54 . 13 1 1 A 7 7 ASP CA C 7 51.877 59.218 -7.341 1
1 55 . 13 1 1 A 7 7 ASP CB C 7 39.384 39.531 -0.147 1
1 56 . 13 1 1 A 7 7 ASP N N 7 120.163 123.025 -2.862 1
1 57 . 13 1 1 A 8 8 PRO HA H 8 4.458 4.580 -0.122 1
1 64 . 13 1 1 A 8 8 PRO CA C 8 63.863 65.106 -1.243 1
1 65 . 13 1 1 A 8 8 PRO CB C 8 32.512 31.810 0.702 1
1 66 . 13 1 1 A 9 9 PHE H H 9 7.959 7.750 0.209 1
1 67 . 13 1 1 A 9 9 PHE HA H 9 4.783 4.239 0.544 1
1 72 . 13 1 1 A 9 9 PHE CA C 9 58.261 61.774 -3.513 1
1 73 . 13 1 1 A 9 9 PHE CB C 9 39.190 39.582 -0.392 1
1 74 . 13 1 1 A 9 9 PHE N N 9 118.640 119.412 -0.772 1
1 75 . 13 1 1 A 10 10 THR H H 10 7.897 8.124 -0.227 1
1 76 . 13 1 1 A 10 10 THR HA H 10 4.440 3.984 0.456 1
1 81 . 13 1 1 A 10 10 THR CA C 10 62.056 66.210 -4.154 1
1 82 . 13 1 1 A 10 10 THR CB C 10 70.112 68.491 1.621 1
1 83 . 13 1 1 A 10 10 THR N N 10 112.714 114.101 -1.387 1
1 84 . 13 1 1 A 11 11 TYR H H 11 7.615 7.965 -0.350 1
1 85 . 13 1 1 A 11 11 TYR HA H 11 4.471 5.182 -0.711 1
1 90 . 13 1 1 A 11 11 TYR CA C 11 58.365 56.579 1.786 1
1 91 . 13 1 1 A 11 11 TYR CB C 11 70.116 41.200 28.916 1
1 92 . 13 1 1 A 11 11 TYR N N 11 122.022 117.150 4.872 1
1 93 . 13 1 1 A 12 12 ASP H H 12 7.954 8.951 -0.997 1
1 94 . 13 1 1 A 12 12 ASP HA H 12 4.800 4.800 0.000 1
1 97 . 13 1 1 A 12 12 ASP CA C 12 53.013 54.078 -1.065 1
1 98 . 13 1 1 A 12 12 ASP CB C 12 39.384 41.380 -1.996 1
1 99 . 13 1 1 A 12 12 ASP N N 12 121.560 123.561 -2.001 1
1 100 . 13 1 1 A 13 13 TYR H H 13 7.949 8.079 -0.130 1
1 101 . 13 1 1 A 13 13 TYR HA H 13 4.435 4.677 -0.242 1
1 106 . 13 1 1 A 13 13 TYR CA C 13 59.555 58.349 1.206 1
1 107 . 13 1 1 A 13 13 TYR CB C 13 39.589 37.899 1.690 1
1 108 . 13 1 1 A 13 13 TYR N N 13 121.914 117.543 4.371 1
1 109 . 13 1 1 A 14 14 GLN H H 14 8.173 8.033 0.140 1
1 110 . 13 1 1 A 14 14 GLN HA H 14 4.222 4.023 0.199 1
1 115 . 13 1 1 A 14 14 GLN CA C 14 57.621 59.139 -1.518 1
1 116 . 13 1 1 A 14 14 GLN CB C 14 28.821 28.381 0.440 1
1 117 . 13 1 1 A 14 14 GLN N N 14 119.118 121.570 -2.452 1
1 118 . 13 1 1 A 15 15 SER H H 15 7.888 8.339 -0.451 1
1 119 . 13 1 1 A 15 15 SER HA H 15 4.485 4.317 0.168 1
1 122 . 13 1 1 A 15 15 SER CA C 15 59.326 61.299 -1.973 1
1 123 . 13 1 1 A 15 15 SER CB C 15 64.123 62.839 1.284 1
1 124 . 13 1 1 A 15 15 SER N N 15 114.275 114.631 -0.356 1
1 125 . 13 1 1 A 16 16 LEU H H 16 7.791 8.199 -0.408 1
1 126 . 13 1 1 A 16 16 LEU HA H 16 4.430 4.180 0.250 1
1 136 . 13 1 1 A 16 16 LEU CA C 16 55.849 56.924 -1.075 1
1 137 . 13 1 1 A 16 16 LEU CB C 16 43.036 42.138 0.898 1
1 138 . 13 1 1 A 16 16 LEU N N 16 122.606 123.982 -1.376 1
1 139 . 13 1 1 A 17 17 GLN H H 17 8.281 8.153 0.128 1
1 140 . 13 1 1 A 17 17 GLN HA H 17 4.426 4.071 0.355 1
1 145 . 13 1 1 A 17 17 GLN CA C 17 56.500 58.424 -1.924 1
1 146 . 13 1 1 A 17 17 GLN CB C 17 29.338 28.554 0.784 1
1 147 . 13 1 1 A 17 17 GLN N N 17 120.232 117.873 2.359 1
1 148 . 13 1 1 A 18 18 ILE H H 18 7.807 7.797 0.010 1
1 149 . 13 1 1 A 18 18 ILE HA H 18 4.238 4.172 0.066 1
1 159 . 13 1 1 A 18 18 ILE CA C 18 61.932 62.011 -0.079 1
1 160 . 13 1 1 A 18 18 ILE CB C 18 38.997 38.499 0.498 1
1 161 . 13 1 1 A 18 18 ILE N N 18 118.727 118.836 -0.109 1
1 162 . 13 1 1 A 19 19 GLY H H 19 8.106 8.261 -0.155 1
1 163 . 13 1 1 A 19 19 GLY HA2 H 19 4.054 3.687 0.367 1
1 164 . 13 1 1 A 19 19 GLY HA3 H 19 4.054 3.692 0.362 1
1 165 . 13 1 1 A 19 19 GLY CA C 19 46.338 47.337 -0.999 1
1 166 . 13 1 1 A 19 19 GLY N N 19 109.552 110.096 -0.544 1
1 167 . 13 1 1 A 20 20 GLY H H 20 8.305 8.550 -0.245 1
1 168 . 13 1 1 A 20 20 GLY HA2 H 20 3.877 3.841 0.036 1
1 169 . 13 1 1 A 20 20 GLY HA3 H 20 3.877 3.842 0.035 1
1 170 . 13 1 1 A 20 20 GLY CA C 20 47.746 46.979 0.767 1
1 171 . 13 1 1 A 20 20 GLY N N 20 107.332 108.083 -0.751 1
1 172 . 13 1 1 A 21 21 LEU H H 21 8.046 8.077 -0.031 1
1 173 . 13 1 1 A 21 21 LEU HA H 21 4.172 4.023 0.149 1
1 183 . 13 1 1 A 21 21 LEU CA C 21 58.140 57.701 0.439 1
1 184 . 13 1 1 A 21 21 LEU CB C 21 41.812 41.834 -0.022 1
1 185 . 13 1 1 A 21 21 LEU N N 21 119.906 123.074 -3.168 1
1 186 . 13 1 1 A 22 22 VAL H H 22 7.716 8.263 -0.547 1
1 187 . 13 1 1 A 22 22 VAL HA H 22 3.691 3.545 0.146 1
1 195 . 13 1 1 A 22 22 VAL CA C 22 66.872 67.203 -0.331 1
1 196 . 13 1 1 A 22 22 VAL CB C 22 67.290 31.591 35.699 1
1 197 . 13 1 1 A 22 22 VAL N N 22 117.489 117.299 0.190 1
1 198 . 13 1 1 A 23 23 ILE H H 23 7.707 7.831 -0.124 1
1 199 . 13 1 1 A 23 23 ILE HA H 23 3.679 3.835 -0.156 1
1 208 . 13 1 1 A 23 23 ILE CA C 23 65.219 64.286 0.933 1
1 209 . 13 1 1 A 23 23 ILE CB C 23 39.538 37.776 1.762 1
1 210 . 13 1 1 A 23 23 ILE N N 23 117.900 117.677 0.223 1
1 211 . 13 1 1 A 24 24 ALA H H 24 8.248 8.181 0.067 1
1 215 . 13 1 1 A 24 24 ALA CA C 24 55.723 55.334 0.389 1
1 216 . 13 1 1 A 24 24 ALA CB C 24 18.223 18.523 -0.300 1
1 217 . 13 1 1 A 24 24 ALA N N 24 120.166 124.570 -4.404 1
1 218 . 13 1 1 A 25 25 GLY H H 25 8.482 8.039 0.443 1
1 219 . 13 1 1 A 25 25 GLY HA2 H 25 3.781 3.817 -0.036 1
1 220 . 13 1 1 A 25 25 GLY HA3 H 25 3.692 3.840 -0.148 1
1 221 . 13 1 1 A 25 25 GLY CA C 25 47.860 47.394 0.466 1
1 222 . 13 1 1 A 25 25 GLY N N 25 103.943 105.269 -1.326 1
1 223 . 13 1 1 A 26 26 ILE H H 26 8.401 7.832 0.569 1
1 224 . 13 1 1 A 26 26 ILE HA H 26 3.715 3.831 -0.116 1
1 229 . 13 1 1 A 26 26 ILE CA C 26 65.719 64.697 1.022 1
1 230 . 13 1 1 A 26 26 ILE CB C 26 38.043 37.644 0.399 1
1 231 . 13 1 1 A 26 26 ILE N N 26 120.944 122.652 -1.708 1
1 232 . 13 1 1 A 27 27 LEU H H 27 8.303 8.016 0.287 1
1 233 . 13 1 1 A 27 27 LEU HA H 27 4.011 4.018 -0.007 1
1 243 . 13 1 1 A 27 27 LEU CA C 27 58.586 58.410 0.176 1
1 244 . 13 1 1 A 27 27 LEU CB C 27 41.728 41.854 -0.126 1
1 245 . 13 1 1 A 27 27 LEU N N 27 118.806 121.238 -2.432 1
1 246 . 13 1 1 A 28 28 PHE H H 28 8.568 8.336 0.232 1
1 247 . 13 1 1 A 28 28 PHE HA H 28 4.238 4.142 0.096 1
1 252 . 13 1 1 A 28 28 PHE CA C 28 61.596 60.896 0.700 1
1 253 . 13 1 1 A 28 28 PHE CB C 28 39.690 39.156 0.534 1
1 254 . 13 1 1 A 28 28 PHE N N 28 118.499 118.991 -0.492 1
1 255 . 13 1 1 A 29 29 ILE H H 29 8.247 8.457 -0.210 1
1 256 . 13 1 1 A 29 29 ILE HA H 29 3.607 3.693 -0.086 1
1 263 . 13 1 1 A 29 29 ILE CA C 29 65.048 65.205 -0.157 1
1 264 . 13 1 1 A 29 29 ILE CB C 29 37.293 37.801 -0.508 1
1 265 . 13 1 1 A 29 29 ILE N N 29 117.892 120.738 -2.846 1
1 266 . 13 1 1 A 30 30 LEU H H 30 8.624 8.592 0.032 1
1 267 . 13 1 1 A 30 30 LEU HA H 30 4.012 4.006 0.006 1
1 277 . 13 1 1 A 30 30 LEU CA C 30 58.624 57.942 0.682 1
1 278 . 13 1 1 A 30 30 LEU CB C 30 42.011 41.609 0.402 1
1 279 . 13 1 1 A 30 30 LEU N N 30 119.146 120.487 -1.341 1
1 280 . 13 1 1 A 31 31 GLY H H 31 8.754 8.288 0.466 1
1 281 . 13 1 1 A 31 31 GLY HA2 H 31 3.643 3.458 0.185 1
1 282 . 13 1 1 A 31 31 GLY HA3 H 31 3.643 3.632 0.011 1
1 283 . 13 1 1 A 31 31 GLY CA C 31 48.068 47.260 0.808 1
1 284 . 13 1 1 A 31 31 GLY N N 31 106.000 106.432 -0.432 1
1 285 . 13 1 1 A 32 32 ILE H H 32 8.303 8.026 0.277 1
1 286 . 13 1 1 A 32 32 ILE HA H 32 3.622 3.638 -0.016 1
1 296 . 13 1 1 A 32 32 ILE CA C 32 65.126 64.423 0.703 1
1 297 . 13 1 1 A 32 32 ILE CB C 32 39.126 37.993 1.133 1
1 298 . 13 1 1 A 32 32 ILE N N 32 120.840 122.232 -1.392 1
1 299 . 13 1 1 A 33 33 LEU H H 33 8.388 8.051 0.337 1
1 300 . 13 1 1 A 33 33 LEU HA H 33 4.042 3.992 0.050 1
1 310 . 13 1 1 A 33 33 LEU CA C 33 58.672 58.052 0.620 1
1 311 . 13 1 1 A 33 33 LEU CB C 33 40.359 41.597 -1.238 1
1 312 . 13 1 1 A 33 33 LEU N N 33 119.523 119.322 0.201 1
1 313 . 13 1 1 A 34 34 ILE H H 34 8.703 8.697 0.006 1
1 314 . 13 1 1 A 34 34 ILE HA H 34 3.685 3.532 0.153 1
1 319 . 13 1 1 A 34 34 ILE CA C 34 66.120 65.400 0.720 1
1 320 . 13 1 1 A 34 34 ILE CB C 34 37.627 37.719 -0.092 1
1 321 . 13 1 1 A 34 34 ILE N N 34 120.906 119.871 1.035 1
1 322 . 13 1 1 A 35 35 VAL H H 35 8.359 7.922 0.437 1
1 323 . 13 1 1 A 35 35 VAL HA H 35 3.690 3.559 0.131 1
1 331 . 13 1 1 A 35 35 VAL CA C 35 67.546 66.704 0.842 1
1 332 . 13 1 1 A 35 35 VAL CB C 35 31.619 31.746 -0.127 1
1 333 . 13 1 1 A 35 35 VAL N N 35 120.794 119.170 1.624 1
1 334 . 13 1 1 A 36 36 LEU H H 36 9.002 8.146 0.856 1
1 335 . 13 1 1 A 36 36 LEU HA H 36 4.095 3.990 0.105 1
1 345 . 13 1 1 A 36 36 LEU CA C 36 58.589 57.578 1.011 1
1 346 . 13 1 1 A 36 36 LEU CB C 36 42.017 41.158 0.859 1
1 347 . 13 1 1 A 36 36 LEU N N 36 119.433 120.738 -1.305 1
1 348 . 13 1 1 A 37 37 SER H H 37 8.585 8.186 0.399 1
1 349 . 13 1 1 A 37 37 SER HA H 37 4.632 4.118 0.514 1
1 352 . 13 1 1 A 37 37 SER CA C 37 62.896 61.368 1.528 1
1 353 . 13 1 1 A 37 37 SER CB C 37 63.973 63.059 0.914 1
1 354 . 13 1 1 A 37 37 SER N N 37 115.400 115.039 0.361 1
1 355 . 13 1 1 A 38 38 ARG H H 38 8.180 7.856 0.324 1
1 356 . 13 1 1 A 38 38 ARG HA H 38 4.218 4.115 0.103 1
1 363 . 13 1 1 A 38 38 ARG CA C 38 59.259 59.201 0.058 1
1 364 . 13 1 1 A 38 38 ARG CB C 38 30.751 29.962 0.789 1
1 365 . 13 1 1 A 38 38 ARG N N 38 121.516 121.642 -0.126 1
1 366 . 13 1 1 A 39 39 ARG H H 39 8.362 7.995 0.367 1
1 367 . 13 1 1 A 39 39 ARG HA H 39 4.373 4.020 0.353 1
1 374 . 13 1 1 A 39 39 ARG CA C 39 58.095 59.258 -1.163 1
1 375 . 13 1 1 A 39 39 ARG CB C 39 30.581 29.785 0.796 1
1 376 . 13 1 1 A 39 39 ARG N N 39 117.803 118.599 -0.796 1
1 377 . 13 1 1 A 40 40 CYS H H 40 8.423 8.285 0.138 1
1 378 . 13 1 1 A 40 40 CYS HA H 40 4.447 4.238 0.209 1
1 381 . 13 1 1 A 40 40 CYS CA C 40 61.514 62.177 -0.663 1
1 382 . 13 1 1 A 40 40 CYS CB C 40 28.091 27.443 0.648 1
1 383 . 13 1 1 A 40 40 CYS N N 40 116.351 118.657 -2.306 1
1 384 . 13 1 1 A 41 41 ARG H H 41 8.095 8.374 -0.279 1
1 385 . 13 1 1 A 41 41 ARG HA H 41 4.204 4.131 0.073 1
1 392 . 13 1 1 A 41 41 ARG CA C 41 58.876 59.604 -0.728 1
1 393 . 13 1 1 A 41 41 ARG CB C 41 30.227 30.019 0.208 1
1 394 . 13 1 1 A 41 41 ARG N N 41 119.841 121.290 -1.449 1
1 395 . 13 1 1 A 42 42 CYS H H 42 8.061 7.979 0.082 1
1 396 . 13 1 1 A 42 42 CYS HA H 42 4.435 4.302 0.133 1
1 399 . 13 1 1 A 42 42 CYS CA C 42 60.508 63.343 -2.835 1
1 400 . 13 1 1 A 42 42 CYS CB C 42 27.409 27.232 0.177 1
1 401 . 13 1 1 A 42 42 CYS N N 42 116.220 117.510 -1.290 1
1 402 . 13 1 1 A 43 43 LYS H H 43 7.936 8.318 -0.382 1
1 403 . 13 1 1 A 43 43 LYS HA H 43 4.244 4.085 0.159 1
1 408 . 13 1 1 A 43 43 LYS CA C 43 57.480 58.594 -1.114 1
1 409 . 13 1 1 A 43 43 LYS CB C 43 32.888 32.554 0.334 1
1 410 . 13 1 1 A 43 43 LYS N N 43 120.337 120.689 -0.352 1
1 411 . 13 1 1 A 44 44 PHE H H 44 7.966 8.525 -0.559 1
1 412 . 13 1 1 A 44 44 PHE HA H 44 4.664 4.071 0.593 1
1 417 . 13 1 1 A 44 44 PHE CA C 44 58.606 61.428 -2.822 1
1 418 . 13 1 1 A 44 44 PHE CB C 44 39.452 39.092 0.360 1
1 419 . 13 1 1 A 44 44 PHE N N 44 118.202 121.538 -3.336 1
1 420 . 13 1 1 A 45 45 ASN H H 45 8.147 7.446 0.701 1
1 421 . 13 1 1 A 45 45 ASN HA H 45 4.771 4.037 0.734 1
1 426 . 13 1 1 A 45 45 ASN CA C 45 53.951 52.754 1.197 1
1 427 . 13 1 1 A 45 45 ASN CB C 45 39.301 38.988 0.313 1
1 428 . 13 1 1 A 45 45 ASN N N 45 118.296 117.014 1.282 1
1 430 . 13 1 1 A 46 46 GLN H H 46 8.209 8.363 -0.154 1
1 431 . 13 1 1 A 46 46 GLN HA H 46 4.344 4.156 0.188 1
1 436 . 13 1 1 A 46 46 GLN CA C 46 56.832 59.049 -2.217 1
1 437 . 13 1 1 A 46 46 GLN CB C 46 29.314 28.305 1.009 1
1 438 . 13 1 1 A 46 46 GLN N N 46 119.469 125.846 -6.377 1
1 439 . 13 1 1 A 47 47 GLN H H 47 8.221 7.915 0.306 1
1 440 . 13 1 1 A 47 47 GLN CA C 47 56.832 59.121 -2.289 1
1 441 . 13 1 1 A 47 47 GLN CB C 47 29.314 28.439 0.875 1
1 442 . 13 1 1 A 47 47 GLN N N 47 119.452 120.100 -0.648 1
1 443 . 13 1 1 A 48 48 GLN H H 48 8.058 7.722 0.336 1
1 444 . 13 1 1 A 48 48 GLN HA H 48 4.394 4.192 0.202 1
1 449 . 13 1 1 A 48 48 GLN CA C 48 56.600 58.012 -1.412 1
1 450 . 13 1 1 A 48 48 GLN CB C 48 29.578 29.236 0.342 1
1 451 . 13 1 1 A 48 48 GLN N N 48 119.642 117.834 1.808 1
1 452 . 13 1 1 A 49 49 ARG H H 49 8.255 7.586 0.669 1
1 453 . 13 1 1 A 49 49 ARG HA H 49 4.475 4.671 -0.196 1
1 460 . 13 1 1 A 49 49 ARG CA C 49 56.569 55.607 0.962 1
1 461 . 13 1 1 A 49 49 ARG CB C 49 30.919 33.751 -2.832 1
1 462 . 13 1 1 A 49 49 ARG N N 49 121.599 118.729 2.870 1
1 463 . 13 1 1 A 50 50 THR H H 50 8.113 8.650 -0.537 1
1 464 . 13 1 1 A 50 50 THR HA H 50 4.438 5.035 -0.597 1
1 469 . 13 1 1 A 50 50 THR CA C 50 62.130 60.054 2.076 1
1 470 . 13 1 1 A 50 50 THR CB C 50 70.380 70.481 -0.101 1
1 471 . 13 1 1 A 50 50 THR N N 50 113.660 121.758 -8.098 1
1 472 . 13 1 1 A 51 51 GLY H H 51 8.296 8.462 -0.166 1
1 473 . 13 1 1 A 51 51 GLY HA2 H 51 4.060 4.158 -0.098 1
1 474 . 13 1 1 A 51 51 GLY HA3 H 51 4.060 4.159 -0.099 1
1 475 . 13 1 1 A 51 51 GLY CA C 51 45.374 45.687 -0.313 1
1 476 . 13 1 1 A 51 51 GLY N N 51 110.876 112.874 -1.998 1
1 477 . 13 1 1 A 52 52 GLU H H 52 8.153 8.327 -0.174 1
1 478 . 13 1 1 A 52 52 GLU HA H 52 4.729 4.926 -0.197 1
1 483 . 13 1 1 A 52 52 GLU CA C 52 54.072 53.004 1.068 1
1 484 . 13 1 1 A 52 52 GLU CB C 52 29.347 30.440 -1.093 1
1 485 . 13 1 1 A 52 52 GLU N N 52 120.834 122.793 -1.959 1
1 486 . 13 1 1 A 53 53 PRO HA H 53 4.495 4.490 0.005 1
1 493 . 13 1 1 A 53 53 PRO CA C 53 63.749 63.224 0.525 1
1 494 . 13 1 1 A 53 53 PRO CB C 53 32.309 32.326 -0.017 1
1 495 . 13 1 1 A 54 54 ASP H H 54 8.402 8.372 0.030 1
1 496 . 13 1 1 A 54 54 ASP HA H 54 4.677 5.182 -0.505 1
1 499 . 13 1 1 A 54 54 ASP CA C 54 54.210 53.014 1.196 1
1 500 . 13 1 1 A 54 54 ASP CB C 54 40.375 41.718 -1.343 1
1 501 . 13 1 1 A 54 54 ASP N N 54 119.287 117.469 1.818 1
1 502 . 13 1 1 A 55 55 GLU H H 55 8.249 8.804 -0.555 1
1 503 . 13 1 1 A 55 55 GLU HA H 55 4.650 4.619 0.031 1
1 508 . 13 1 1 A 55 55 GLU CA C 55 56.397 55.231 1.166 1
1 509 . 13 1 1 A 55 55 GLU CB C 55 29.461 31.297 -1.836 1
1 510 . 13 1 1 A 55 55 GLU N N 55 120.671 119.301 1.370 1
1 511 . 13 1 1 A 56 56 GLU H H 56 8.257 9.009 -0.752 1
1 512 . 13 1 1 A 56 56 GLU HA H 56 4.396 3.905 0.491 1
1 517 . 13 1 1 A 56 56 GLU CA C 56 56.414 57.114 -0.700 1
1 518 . 13 1 1 A 56 56 GLU CB C 56 29.461 28.114 1.347 1
1 519 . 13 1 1 A 56 56 GLU N N 56 119.852 121.808 -1.956 1
1 520 . 13 1 1 A 57 57 GLU H H 57 8.311 8.025 0.286 1
1 521 . 13 1 1 A 57 57 GLU HA H 57 4.453 4.248 0.205 1
1 526 . 13 1 1 A 57 57 GLU CA C 57 56.350 56.634 -0.284 1
1 527 . 13 1 1 A 57 57 GLU CB C 57 29.959 29.877 0.082 1
1 528 . 13 1 1 A 57 57 GLU N N 57 121.046 119.858 1.188 1
1 529 . 13 1 1 A 58 58 GLY H H 58 8.407 8.297 0.110 1
1 530 . 13 1 1 A 58 58 GLY HA2 H 58 4.190 3.792 0.398 1
1 531 . 13 1 1 A 58 58 GLY HA3 H 58 4.190 3.843 0.347 1
1 532 . 13 1 1 A 58 58 GLY CA C 58 45.841 46.349 -0.508 1
1 533 . 13 1 1 A 58 58 GLY N N 58 109.873 112.186 -2.313 1
1 534 . 13 1 1 A 59 59 THR H H 59 8.141 7.080 1.061 1
1 535 . 13 1 1 A 59 59 THR HA H 59 4.348 4.085 0.263 1
1 540 . 13 1 1 A 59 59 THR CA C 59 63.622 63.685 -0.063 1
1 541 . 13 1 1 A 59 59 THR CB C 59 70.393 68.015 2.378 1
1 542 . 13 1 1 A 59 59 THR N N 59 114.486 113.009 1.477 1
1 543 . 13 1 1 A 60 60 PHE H H 60 8.651 7.586 1.065 1
1 544 . 13 1 1 A 60 60 PHE HA H 60 4.439 4.008 0.431 1
1 549 . 13 1 1 A 60 60 PHE CA C 60 61.359 61.355 0.004 1
1 550 . 13 1 1 A 60 60 PHE CB C 60 38.960 39.076 -0.116 1
1 551 . 13 1 1 A 60 60 PHE N N 60 123.173 122.772 0.401 1
1 552 . 13 1 1 A 61 61 ARG H H 61 8.247 7.895 0.352 1
1 553 . 13 1 1 A 61 61 ARG HA H 61 3.932 4.066 -0.134 1
1 560 . 13 1 1 A 61 61 ARG CA C 61 59.472 60.249 -0.777 1
1 561 . 13 1 1 A 61 61 ARG CB C 61 30.162 29.889 0.273 1
1 562 . 13 1 1 A 61 61 ARG N N 61 118.197 119.297 -1.100 1
1 563 . 13 1 1 A 62 62 SER H H 62 8.098 8.267 -0.169 1
1 564 . 13 1 1 A 62 62 SER HA H 62 4.313 4.228 0.085 1
1 567 . 13 1 1 A 62 62 SER CA C 62 61.112 61.463 -0.351 1
1 568 . 13 1 1 A 62 62 SER CB C 62 63.426 62.291 1.135 1
1 569 . 13 1 1 A 62 62 SER N N 62 113.309 115.288 -1.979 1
1 570 . 13 1 1 A 63 63 SER H H 63 8.050 7.624 0.426 1
1 571 . 13 1 1 A 63 63 SER HA H 63 4.361 4.010 0.351 1
1 574 . 13 1 1 A 63 63 SER CA C 63 61.816 62.041 -0.225 1
1 575 . 13 1 1 A 63 63 SER CB C 63 64.359 62.457 1.902 1
1 576 . 13 1 1 A 63 63 SER N N 63 118.744 115.925 2.819 1
1 577 . 13 1 1 A 64 64 ILE H H 64 7.813 7.355 0.458 1
1 578 . 13 1 1 A 64 64 ILE HA H 64 3.936 3.701 0.235 1
1 588 . 13 1 1 A 64 64 ILE CA C 64 63.557 64.492 -0.935 1
1 589 . 13 1 1 A 64 64 ILE CB C 64 37.482 37.321 0.161 1
1 590 . 13 1 1 A 64 64 ILE N N 64 120.616 118.486 2.130 1
1 591 . 13 1 1 A 65 65 ARG H H 65 7.863 8.032 -0.169 1
1 592 . 13 1 1 A 65 65 ARG HA H 65 4.207 3.869 0.338 1
1 600 . 13 1 1 A 65 65 ARG CA C 65 58.617 59.153 -0.536 1
1 601 . 13 1 1 A 65 65 ARG CB C 65 30.088 29.761 0.327 1
1 602 . 13 1 1 A 65 65 ARG N N 65 120.278 121.586 -1.308 1
1 603 . 13 1 1 A 66 66 ARG H H 66 7.934 7.717 0.217 1
1 604 . 13 1 1 A 66 66 ARG HA H 66 4.251 4.056 0.195 1
1 611 . 13 1 1 A 66 66 ARG CA C 66 58.512 59.032 -0.520 1
1 612 . 13 1 1 A 66 66 ARG CB C 66 30.618 29.831 0.787 1
1 613 . 13 1 1 A 66 66 ARG N N 66 119.070 118.560 0.510 1
1 614 . 13 1 1 A 67 67 LEU H H 67 8.014 8.128 -0.114 1
1 615 . 13 1 1 A 67 67 LEU HA H 67 4.259 4.059 0.200 1
1 625 . 13 1 1 A 67 67 LEU CA C 67 57.012 57.401 -0.389 1
1 626 . 13 1 1 A 67 67 LEU CB C 67 42.398 41.440 0.958 1
1 627 . 13 1 1 A 67 67 LEU N N 67 119.999 122.130 -2.131 1
1 628 . 13 1 1 A 68 68 SER H H 68 8.091 8.468 -0.377 1
1 629 . 13 1 1 A 68 68 SER HA H 68 4.352 4.208 0.144 1
1 632 . 13 1 1 A 68 68 SER CA C 68 60.421 61.165 -0.744 1
1 633 . 13 1 1 A 68 68 SER CB C 68 63.997 63.108 0.889 1
1 634 . 13 1 1 A 68 68 SER N N 68 113.037 115.041 -2.004 1
1 635 . 13 1 1 A 69 69 THR H H 69 7.765 7.905 -0.140 1
1 640 . 13 1 1 A 69 69 THR CA C 69 63.075 62.749 0.326 1
1 641 . 13 1 1 A 69 69 THR CB C 69 69.994 70.825 -0.831 1
1 642 . 13 1 1 A 69 69 THR N N 69 113.132 111.797 1.335 1
1 643 . 13 1 1 A 70 70 ARG H H 70 7.915 8.725 -0.810 1
1 644 . 13 1 1 A 70 70 ARG HA H 70 4.402 4.169 0.233 1
1 651 . 13 1 1 A 70 70 ARG CA C 70 57.068 58.994 -1.926 1
1 652 . 13 1 1 A 70 70 ARG CB C 70 30.778 29.744 1.034 1
1 653 . 13 1 1 A 70 70 ARG N N 70 121.113 121.290 -0.177 1
1 654 . 13 1 1 A 71 71 ARG H H 71 7.891 8.280 -0.389 1
1 655 . 13 1 1 A 71 71 ARG HA H 71 4.421 4.271 0.150 1
1 662 . 13 1 1 A 71 71 ARG CA C 71 56.407 56.429 -0.022 1
1 663 . 13 1 1 A 71 71 ARG CB C 71 31.156 30.735 0.421 1
1 664 . 13 1 1 A 71 71 ARG N N 71 118.899 120.649 -1.750 1
1 8 . 14 1 1 A 2 2 SER H H 2 8.707 7.434 1.273 1
1 9 . 14 1 1 A 2 2 SER HA H 2 4.638 4.984 -0.346 1
1 12 . 14 1 1 A 2 2 SER CA C 2 56.699 55.185 1.514 1
1 13 . 14 1 1 A 2 2 SER CB C 2 63.978 65.453 -1.475 1
1 14 . 14 1 1 A 2 2 SER N N 2 118.975 111.094 7.881 1
1 15 . 14 1 1 A 3 3 PRO HA H 3 4.533 4.435 0.098 1
1 22 . 14 1 1 A 3 3 PRO CA C 3 64.301 64.510 -0.209 1
1 23 . 14 1 1 A 3 3 PRO CB C 3 32.998 31.875 1.123 1
1 24 . 14 1 1 A 4 4 LYS H H 4 8.117 8.473 -0.356 1
1 25 . 14 1 1 A 4 4 LYS HA H 4 4.314 4.047 0.267 1
1 32 . 14 1 1 A 4 4 LYS CA C 4 56.918 57.850 -0.932 1
1 33 . 14 1 1 A 4 4 LYS CB C 4 33.010 32.300 0.710 1
1 34 . 14 1 1 A 4 4 LYS N N 4 118.277 116.823 1.454 1
1 35 . 14 1 1 A 5 5 GLU HA H 5 4.302 4.372 -0.070 1
1 40 . 14 1 1 A 5 5 GLU CA C 5 56.505 54.983 1.522 1
1 41 . 14 1 1 A 5 5 GLU CB C 5 38.736 30.928 7.808 1
1 42 . 14 1 1 A 6 6 HIS H H 6 8.075 8.708 -0.633 1
1 43 . 14 1 1 A 6 6 HIS HA H 6 4.352 4.991 -0.639 1
1 47 . 14 1 1 A 6 6 HIS CA C 6 55.000 54.801 0.199 1
1 48 . 14 1 1 A 6 6 HIS CB C 6 29.504 32.175 -2.671 1
1 49 . 14 1 1 A 6 6 HIS N N 6 117.435 119.728 -2.293 1
1 50 . 14 1 1 A 7 7 ASP H H 7 8.249 8.988 -0.739 1
1 51 . 14 1 1 A 7 7 ASP HA H 7 4.796 4.790 0.006 1
1 54 . 14 1 1 A 7 7 ASP CA C 7 51.877 52.714 -0.837 1
1 55 . 14 1 1 A 7 7 ASP CB C 7 39.384 40.491 -1.107 1
1 56 . 14 1 1 A 7 7 ASP N N 7 120.163 121.392 -1.229 1
1 57 . 14 1 1 A 8 8 PRO HA H 8 4.458 4.459 -0.001 1
1 64 . 14 1 1 A 8 8 PRO CA C 8 63.863 64.814 -0.951 1
1 65 . 14 1 1 A 8 8 PRO CB C 8 32.512 32.088 0.424 1
1 66 . 14 1 1 A 9 9 PHE H H 9 7.959 7.904 0.055 1
1 67 . 14 1 1 A 9 9 PHE HA H 9 4.783 4.075 0.708 1
1 72 . 14 1 1 A 9 9 PHE CA C 9 58.261 61.787 -3.526 1
1 73 . 14 1 1 A 9 9 PHE CB C 9 39.190 39.734 -0.544 1
1 74 . 14 1 1 A 9 9 PHE N N 9 118.640 119.005 -0.365 1
1 75 . 14 1 1 A 10 10 THR H H 10 7.897 8.028 -0.131 1
1 76 . 14 1 1 A 10 10 THR HA H 10 4.440 4.176 0.264 1
1 81 . 14 1 1 A 10 10 THR CA C 10 62.056 64.145 -2.089 1
1 82 . 14 1 1 A 10 10 THR CB C 10 70.112 69.336 0.776 1
1 83 . 14 1 1 A 10 10 THR N N 10 112.714 110.724 1.990 1
1 84 . 14 1 1 A 11 11 TYR H H 11 7.615 8.046 -0.431 1
1 85 . 14 1 1 A 11 11 TYR HA H 11 4.471 5.102 -0.631 1
1 90 . 14 1 1 A 11 11 TYR CA C 11 58.365 56.957 1.408 1
1 91 . 14 1 1 A 11 11 TYR CB C 11 70.116 40.933 29.183 1
1 92 . 14 1 1 A 11 11 TYR N N 11 122.022 122.153 -0.131 1
1 93 . 14 1 1 A 12 12 ASP H H 12 7.954 8.447 -0.493 1
1 94 . 14 1 1 A 12 12 ASP HA H 12 4.800 4.818 -0.018 1
1 97 . 14 1 1 A 12 12 ASP CA C 12 53.013 53.309 -0.296 1
1 98 . 14 1 1 A 12 12 ASP CB C 12 39.384 43.261 -3.877 1
1 99 . 14 1 1 A 12 12 ASP N N 12 121.560 124.318 -2.758 1
1 100 . 14 1 1 A 13 13 TYR H H 13 7.949 7.648 0.301 1
1 101 . 14 1 1 A 13 13 TYR HA H 13 4.435 4.694 -0.259 1
1 106 . 14 1 1 A 13 13 TYR CA C 13 59.555 58.405 1.150 1
1 107 . 14 1 1 A 13 13 TYR CB C 13 39.589 37.610 1.979 1
1 108 . 14 1 1 A 13 13 TYR N N 13 121.914 119.068 2.846 1
1 109 . 14 1 1 A 14 14 GLN H H 14 8.173 8.018 0.155 1
1 110 . 14 1 1 A 14 14 GLN HA H 14 4.222 4.021 0.201 1
1 115 . 14 1 1 A 14 14 GLN CA C 14 57.621 59.186 -1.565 1
1 116 . 14 1 1 A 14 14 GLN CB C 14 28.821 28.275 0.546 1
1 117 . 14 1 1 A 14 14 GLN N N 14 119.118 121.821 -2.703 1
1 118 . 14 1 1 A 15 15 SER H H 15 7.888 8.363 -0.475 1
1 119 . 14 1 1 A 15 15 SER HA H 15 4.485 4.340 0.145 1
1 122 . 14 1 1 A 15 15 SER CA C 15 59.326 61.309 -1.983 1
1 123 . 14 1 1 A 15 15 SER CB C 15 64.123 62.982 1.141 1
1 124 . 14 1 1 A 15 15 SER N N 15 114.275 114.831 -0.556 1
1 125 . 14 1 1 A 16 16 LEU H H 16 7.791 8.282 -0.491 1
1 126 . 14 1 1 A 16 16 LEU HA H 16 4.430 4.206 0.224 1
1 136 . 14 1 1 A 16 16 LEU CA C 16 55.849 56.844 -0.995 1
1 137 . 14 1 1 A 16 16 LEU CB C 16 43.036 42.375 0.661 1
1 138 . 14 1 1 A 16 16 LEU N N 16 122.606 124.027 -1.421 1
1 139 . 14 1 1 A 17 17 GLN H H 17 8.281 7.726 0.555 1
1 140 . 14 1 1 A 17 17 GLN HA H 17 4.426 4.054 0.372 1
1 145 . 14 1 1 A 17 17 GLN CA C 17 56.500 59.144 -2.644 1
1 146 . 14 1 1 A 17 17 GLN CB C 17 29.338 28.632 0.706 1
1 147 . 14 1 1 A 17 17 GLN N N 17 120.232 118.773 1.459 1
1 148 . 14 1 1 A 18 18 ILE H H 18 7.807 8.014 -0.207 1
1 149 . 14 1 1 A 18 18 ILE HA H 18 4.238 4.091 0.147 1
1 159 . 14 1 1 A 18 18 ILE CA C 18 61.932 63.981 -2.049 1
1 160 . 14 1 1 A 18 18 ILE CB C 18 38.997 38.285 0.712 1
1 161 . 14 1 1 A 18 18 ILE N N 18 118.727 119.206 -0.479 1
1 162 . 14 1 1 A 19 19 GLY H H 19 8.106 8.032 0.074 1
1 163 . 14 1 1 A 19 19 GLY HA2 H 19 4.054 3.722 0.332 1
1 164 . 14 1 1 A 19 19 GLY HA3 H 19 4.054 3.725 0.329 1
1 165 . 14 1 1 A 19 19 GLY CA C 19 46.338 47.353 -1.015 1
1 166 . 14 1 1 A 19 19 GLY N N 19 109.552 109.301 0.251 1
1 167 . 14 1 1 A 20 20 GLY H H 20 8.305 8.520 -0.215 1
1 168 . 14 1 1 A 20 20 GLY HA2 H 20 3.877 3.831 0.046 1
1 169 . 14 1 1 A 20 20 GLY HA3 H 20 3.877 3.839 0.038 1
1 170 . 14 1 1 A 20 20 GLY CA C 20 47.746 46.965 0.781 1
1 171 . 14 1 1 A 20 20 GLY N N 20 107.332 108.445 -1.113 1
1 172 . 14 1 1 A 21 21 LEU H H 21 8.046 8.014 0.032 1
1 173 . 14 1 1 A 21 21 LEU HA H 21 4.172 3.998 0.174 1
1 183 . 14 1 1 A 21 21 LEU CA C 21 58.140 57.643 0.497 1
1 184 . 14 1 1 A 21 21 LEU CB C 21 41.812 41.818 -0.006 1
1 185 . 14 1 1 A 21 21 LEU N N 21 119.906 122.888 -2.982 1
1 186 . 14 1 1 A 22 22 VAL H H 22 7.716 8.447 -0.731 1
1 187 . 14 1 1 A 22 22 VAL HA H 22 3.691 3.450 0.241 1
1 195 . 14 1 1 A 22 22 VAL CA C 22 66.872 66.930 -0.058 1
1 196 . 14 1 1 A 22 22 VAL CB C 22 67.290 31.754 35.536 1
1 197 . 14 1 1 A 22 22 VAL N N 22 117.489 117.576 -0.087 1
1 198 . 14 1 1 A 23 23 ILE H H 23 7.707 7.756 -0.049 1
1 199 . 14 1 1 A 23 23 ILE HA H 23 3.679 3.845 -0.166 1
1 208 . 14 1 1 A 23 23 ILE CA C 23 65.219 64.266 0.953 1
1 209 . 14 1 1 A 23 23 ILE CB C 23 39.538 37.769 1.769 1
1 210 . 14 1 1 A 23 23 ILE N N 23 117.900 117.367 0.533 1
1 211 . 14 1 1 A 24 24 ALA H H 24 8.248 8.147 0.101 1
1 215 . 14 1 1 A 24 24 ALA CA C 24 55.723 55.080 0.643 1
1 216 . 14 1 1 A 24 24 ALA CB C 24 18.223 18.540 -0.317 1
1 217 . 14 1 1 A 24 24 ALA N N 24 120.166 124.509 -4.343 1
1 218 . 14 1 1 A 25 25 GLY H H 25 8.482 8.060 0.422 1
1 219 . 14 1 1 A 25 25 GLY HA2 H 25 3.781 3.764 0.017 1
1 220 . 14 1 1 A 25 25 GLY HA3 H 25 3.692 3.783 -0.091 1
1 221 . 14 1 1 A 25 25 GLY CA C 25 47.860 47.365 0.495 1
1 222 . 14 1 1 A 25 25 GLY N N 25 103.943 106.166 -2.223 1
1 223 . 14 1 1 A 26 26 ILE H H 26 8.401 7.867 0.534 1
1 224 . 14 1 1 A 26 26 ILE HA H 26 3.715 3.839 -0.124 1
1 229 . 14 1 1 A 26 26 ILE CA C 26 65.719 64.706 1.013 1
1 230 . 14 1 1 A 26 26 ILE CB C 26 38.043 37.709 0.334 1
1 231 . 14 1 1 A 26 26 ILE N N 26 120.944 122.613 -1.669 1
1 232 . 14 1 1 A 27 27 LEU H H 27 8.303 8.141 0.162 1
1 233 . 14 1 1 A 27 27 LEU HA H 27 4.011 4.040 -0.029 1
1 243 . 14 1 1 A 27 27 LEU CA C 27 58.586 58.368 0.218 1
1 244 . 14 1 1 A 27 27 LEU CB C 27 41.728 41.949 -0.221 1
1 245 . 14 1 1 A 27 27 LEU N N 27 118.806 121.247 -2.441 1
1 246 . 14 1 1 A 28 28 PHE H H 28 8.568 8.030 0.538 1
1 247 . 14 1 1 A 28 28 PHE HA H 28 4.238 4.256 -0.018 1
1 252 . 14 1 1 A 28 28 PHE CA C 28 61.596 61.007 0.589 1
1 253 . 14 1 1 A 28 28 PHE CB C 28 39.690 38.629 1.061 1
1 254 . 14 1 1 A 28 28 PHE N N 28 118.499 117.520 0.979 1
1 255 . 14 1 1 A 29 29 ILE H H 29 8.247 8.826 -0.579 1
1 256 . 14 1 1 A 29 29 ILE HA H 29 3.607 3.666 -0.059 1
1 263 . 14 1 1 A 29 29 ILE CA C 29 65.048 65.511 -0.463 1
1 264 . 14 1 1 A 29 29 ILE CB C 29 37.293 37.724 -0.431 1
1 265 . 14 1 1 A 29 29 ILE N N 29 117.892 120.322 -2.430 1
1 266 . 14 1 1 A 30 30 LEU H H 30 8.624 8.628 -0.004 1
1 267 . 14 1 1 A 30 30 LEU HA H 30 4.012 4.050 -0.038 1
1 277 . 14 1 1 A 30 30 LEU CA C 30 58.624 58.106 0.518 1
1 278 . 14 1 1 A 30 30 LEU CB C 30 42.011 41.725 0.286 1
1 279 . 14 1 1 A 30 30 LEU N N 30 119.146 121.000 -1.854 1
1 280 . 14 1 1 A 31 31 GLY H H 31 8.754 8.417 0.337 1
1 281 . 14 1 1 A 31 31 GLY HA2 H 31 3.643 3.676 -0.033 1
1 282 . 14 1 1 A 31 31 GLY HA3 H 31 3.643 3.718 -0.075 1
1 283 . 14 1 1 A 31 31 GLY CA C 31 48.068 47.387 0.681 1
1 284 . 14 1 1 A 31 31 GLY N N 31 106.000 106.788 -0.788 1
1 285 . 14 1 1 A 32 32 ILE H H 32 8.303 8.554 -0.251 1
1 286 . 14 1 1 A 32 32 ILE HA H 32 3.622 3.797 -0.175 1
1 296 . 14 1 1 A 32 32 ILE CA C 32 65.126 64.638 0.488 1
1 297 . 14 1 1 A 32 32 ILE CB C 32 39.126 37.781 1.345 1
1 298 . 14 1 1 A 32 32 ILE N N 32 120.840 122.441 -1.601 1
1 299 . 14 1 1 A 33 33 LEU H H 33 8.388 8.060 0.328 1
1 300 . 14 1 1 A 33 33 LEU HA H 33 4.042 4.027 0.015 1
1 310 . 14 1 1 A 33 33 LEU CA C 33 58.672 58.079 0.593 1
1 311 . 14 1 1 A 33 33 LEU CB C 33 40.359 41.652 -1.293 1
1 312 . 14 1 1 A 33 33 LEU N N 33 119.523 119.346 0.177 1
1 313 . 14 1 1 A 34 34 ILE H H 34 8.703 8.722 -0.019 1
1 314 . 14 1 1 A 34 34 ILE HA H 34 3.685 3.534 0.151 1
1 319 . 14 1 1 A 34 34 ILE CA C 34 66.120 65.390 0.730 1
1 320 . 14 1 1 A 34 34 ILE CB C 34 37.627 37.704 -0.077 1
1 321 . 14 1 1 A 34 34 ILE N N 34 120.906 119.678 1.228 1
1 322 . 14 1 1 A 35 35 VAL H H 35 8.359 8.190 0.169 1
1 323 . 14 1 1 A 35 35 VAL HA H 35 3.690 3.586 0.104 1
1 331 . 14 1 1 A 35 35 VAL CA C 35 67.546 66.748 0.798 1
1 332 . 14 1 1 A 35 35 VAL CB C 35 31.619 31.790 -0.171 1
1 333 . 14 1 1 A 35 35 VAL N N 35 120.794 119.201 1.593 1
1 334 . 14 1 1 A 36 36 LEU H H 36 9.002 8.201 0.801 1
1 335 . 14 1 1 A 36 36 LEU HA H 36 4.095 4.044 0.051 1
1 345 . 14 1 1 A 36 36 LEU CA C 36 58.589 57.886 0.703 1
1 346 . 14 1 1 A 36 36 LEU CB C 36 42.017 40.797 1.220 1
1 347 . 14 1 1 A 36 36 LEU N N 36 119.433 117.749 1.684 1
1 348 . 14 1 1 A 37 37 SER H H 37 8.585 8.298 0.287 1
1 349 . 14 1 1 A 37 37 SER HA H 37 4.632 4.120 0.512 1
1 352 . 14 1 1 A 37 37 SER CA C 37 62.896 62.077 0.819 1
1 353 . 14 1 1 A 37 37 SER CB C 37 63.973 62.754 1.219 1
1 354 . 14 1 1 A 37 37 SER N N 37 115.400 114.272 1.128 1
1 355 . 14 1 1 A 38 38 ARG H H 38 8.180 7.917 0.263 1
1 356 . 14 1 1 A 38 38 ARG HA H 38 4.218 4.147 0.071 1
1 363 . 14 1 1 A 38 38 ARG CA C 38 59.259 59.471 -0.212 1
1 364 . 14 1 1 A 38 38 ARG CB C 38 30.751 30.014 0.737 1
1 365 . 14 1 1 A 38 38 ARG N N 38 121.516 122.379 -0.863 1
1 366 . 14 1 1 A 39 39 ARG H H 39 8.362 7.840 0.522 1
1 367 . 14 1 1 A 39 39 ARG HA H 39 4.373 4.044 0.329 1
1 374 . 14 1 1 A 39 39 ARG CA C 39 58.095 59.027 -0.932 1
1 375 . 14 1 1 A 39 39 ARG CB C 39 30.581 29.926 0.655 1
1 376 . 14 1 1 A 39 39 ARG N N 39 117.803 118.909 -1.106 1
1 377 . 14 1 1 A 40 40 CYS H H 40 8.423 7.967 0.456 1
1 378 . 14 1 1 A 40 40 CYS HA H 40 4.447 4.132 0.315 1
1 381 . 14 1 1 A 40 40 CYS CA C 40 61.514 62.584 -1.070 1
1 382 . 14 1 1 A 40 40 CYS CB C 40 28.091 26.671 1.420 1
1 383 . 14 1 1 A 40 40 CYS N N 40 116.351 119.338 -2.987 1
1 384 . 14 1 1 A 41 41 ARG H H 41 8.095 7.819 0.276 1
1 385 . 14 1 1 A 41 41 ARG HA H 41 4.204 4.233 -0.029 1
1 392 . 14 1 1 A 41 41 ARG CA C 41 58.876 59.969 -1.093 1
1 393 . 14 1 1 A 41 41 ARG CB C 41 30.227 30.304 -0.077 1
1 394 . 14 1 1 A 41 41 ARG N N 41 119.841 119.942 -0.101 1
1 395 . 14 1 1 A 42 42 CYS H H 42 8.061 7.879 0.182 1
1 396 . 14 1 1 A 42 42 CYS HA H 42 4.435 4.234 0.201 1
1 399 . 14 1 1 A 42 42 CYS CA C 42 60.508 63.881 -3.373 1
1 400 . 14 1 1 A 42 42 CYS CB C 42 27.409 27.422 -0.013 1
1 401 . 14 1 1 A 42 42 CYS N N 42 116.220 119.147 -2.927 1
1 402 . 14 1 1 A 43 43 LYS H H 43 7.936 8.074 -0.138 1
1 403 . 14 1 1 A 43 43 LYS HA H 43 4.244 4.091 0.153 1
1 408 . 14 1 1 A 43 43 LYS CA C 43 57.480 58.340 -0.860 1
1 409 . 14 1 1 A 43 43 LYS CB C 43 32.888 32.147 0.741 1
1 410 . 14 1 1 A 43 43 LYS N N 43 120.337 120.047 0.290 1
1 411 . 14 1 1 A 44 44 PHE H H 44 7.966 8.565 -0.599 1
1 412 . 14 1 1 A 44 44 PHE HA H 44 4.664 4.348 0.316 1
1 417 . 14 1 1 A 44 44 PHE CA C 44 58.606 59.519 -0.913 1
1 418 . 14 1 1 A 44 44 PHE CB C 44 39.452 39.167 0.285 1
1 419 . 14 1 1 A 44 44 PHE N N 44 118.202 117.177 1.025 1
1 420 . 14 1 1 A 45 45 ASN H H 45 8.147 7.557 0.590 1
1 421 . 14 1 1 A 45 45 ASN HA H 45 4.771 5.088 -0.317 1
1 426 . 14 1 1 A 45 45 ASN CA C 45 53.951 52.224 1.727 1
1 427 . 14 1 1 A 45 45 ASN CB C 45 39.301 39.793 -0.492 1
1 428 . 14 1 1 A 45 45 ASN N N 45 118.296 115.579 2.717 1
1 430 . 14 1 1 A 46 46 GLN H H 46 8.209 8.871 -0.662 1
1 431 . 14 1 1 A 46 46 GLN HA H 46 4.344 4.039 0.305 1
1 436 . 14 1 1 A 46 46 GLN CA C 46 56.832 59.393 -2.561 1
1 437 . 14 1 1 A 46 46 GLN CB C 46 29.314 28.449 0.865 1
1 438 . 14 1 1 A 46 46 GLN N N 46 119.469 124.523 -5.054 1
1 439 . 14 1 1 A 47 47 GLN H H 47 8.221 8.170 0.051 1
1 440 . 14 1 1 A 47 47 GLN CA C 47 56.832 58.372 -1.540 1
1 441 . 14 1 1 A 47 47 GLN CB C 47 29.314 28.620 0.694 1
1 442 . 14 1 1 A 47 47 GLN N N 47 119.452 120.018 -0.566 1
1 443 . 14 1 1 A 48 48 GLN H H 48 8.058 7.866 0.192 1
1 444 . 14 1 1 A 48 48 GLN HA H 48 4.394 4.096 0.298 1
1 449 . 14 1 1 A 48 48 GLN CA C 48 56.600 58.620 -2.020 1
1 450 . 14 1 1 A 48 48 GLN CB C 48 29.578 28.585 0.993 1
1 451 . 14 1 1 A 48 48 GLN N N 48 119.642 119.054 0.588 1
1 452 . 14 1 1 A 49 49 ARG H H 49 8.255 7.671 0.584 1
1 453 . 14 1 1 A 49 49 ARG HA H 49 4.475 4.494 -0.019 1
1 460 . 14 1 1 A 49 49 ARG CA C 49 56.569 54.759 1.810 1
1 461 . 14 1 1 A 49 49 ARG CB C 49 30.919 29.936 0.983 1
1 462 . 14 1 1 A 49 49 ARG N N 49 121.599 119.339 2.260 1
1 463 . 14 1 1 A 50 50 THR H H 50 8.113 8.790 -0.677 1
1 464 . 14 1 1 A 50 50 THR HA H 50 4.438 4.560 -0.122 1
1 469 . 14 1 1 A 50 50 THR CA C 50 62.130 61.073 1.057 1
1 470 . 14 1 1 A 50 50 THR CB C 50 70.380 70.406 -0.026 1
1 471 . 14 1 1 A 50 50 THR N N 50 113.660 116.265 -2.605 1
1 472 . 14 1 1 A 51 51 GLY H H 51 8.296 7.943 0.353 1
1 473 . 14 1 1 A 51 51 GLY HA2 H 51 4.060 3.909 0.151 1
1 474 . 14 1 1 A 51 51 GLY HA3 H 51 4.060 3.909 0.151 1
1 475 . 14 1 1 A 51 51 GLY CA C 51 45.374 45.609 -0.235 1
1 476 . 14 1 1 A 51 51 GLY N N 51 110.876 109.841 1.035 1
1 477 . 14 1 1 A 52 52 GLU H H 52 8.153 7.970 0.183 1
1 478 . 14 1 1 A 52 52 GLU HA H 52 4.729 4.656 0.073 1
1 483 . 14 1 1 A 52 52 GLU CA C 52 54.072 52.741 1.331 1
1 484 . 14 1 1 A 52 52 GLU CB C 52 29.347 30.736 -1.389 1
1 485 . 14 1 1 A 52 52 GLU N N 52 120.834 120.672 0.162 1
1 486 . 14 1 1 A 53 53 PRO HA H 53 4.495 4.425 0.070 1
1 493 . 14 1 1 A 53 53 PRO CA C 53 63.749 64.770 -1.021 1
1 494 . 14 1 1 A 53 53 PRO CB C 53 32.309 31.935 0.374 1
1 495 . 14 1 1 A 54 54 ASP H H 54 8.402 7.821 0.581 1
1 496 . 14 1 1 A 54 54 ASP HA H 54 4.677 4.612 0.065 1
1 499 . 14 1 1 A 54 54 ASP CA C 54 54.210 53.950 0.260 1
1 500 . 14 1 1 A 54 54 ASP CB C 54 40.375 41.782 -1.407 1
1 501 . 14 1 1 A 54 54 ASP N N 54 119.287 117.859 1.428 1
1 502 . 14 1 1 A 55 55 GLU H H 55 8.249 8.373 -0.124 1
1 503 . 14 1 1 A 55 55 GLU HA H 55 4.650 4.625 0.025 1
1 508 . 14 1 1 A 55 55 GLU CA C 55 56.397 55.927 0.470 1
1 509 . 14 1 1 A 55 55 GLU CB C 55 29.461 30.344 -0.883 1
1 510 . 14 1 1 A 55 55 GLU N N 55 120.671 123.782 -3.111 1
1 511 . 14 1 1 A 56 56 GLU H H 56 8.257 8.456 -0.199 1
1 512 . 14 1 1 A 56 56 GLU HA H 56 4.396 4.725 -0.329 1
1 517 . 14 1 1 A 56 56 GLU CA C 56 56.414 54.855 1.559 1
1 518 . 14 1 1 A 56 56 GLU CB C 56 29.461 32.383 -2.922 1
1 519 . 14 1 1 A 56 56 GLU N N 56 119.852 123.993 -4.141 1
1 520 . 14 1 1 A 57 57 GLU H H 57 8.311 9.136 -0.825 1
1 521 . 14 1 1 A 57 57 GLU HA H 57 4.453 3.955 0.498 1
1 526 . 14 1 1 A 57 57 GLU CA C 57 56.350 58.601 -2.251 1
1 527 . 14 1 1 A 57 57 GLU CB C 57 29.959 28.344 1.615 1
1 528 . 14 1 1 A 57 57 GLU N N 57 121.046 117.676 3.370 1
1 529 . 14 1 1 A 58 58 GLY H H 58 8.407 8.010 0.397 1
1 530 . 14 1 1 A 58 58 GLY HA2 H 58 4.190 4.011 0.179 1
1 531 . 14 1 1 A 58 58 GLY HA3 H 58 4.190 4.033 0.157 1
1 532 . 14 1 1 A 58 58 GLY CA C 58 45.841 45.153 0.688 1
1 533 . 14 1 1 A 58 58 GLY N N 58 109.873 106.873 3.000 1
1 534 . 14 1 1 A 59 59 THR H H 59 8.141 8.000 0.141 1
1 535 . 14 1 1 A 59 59 THR HA H 59 4.348 4.171 0.177 1
1 540 . 14 1 1 A 59 59 THR CA C 59 63.622 60.465 3.157 1
1 541 . 14 1 1 A 59 59 THR CB C 59 70.393 71.711 -1.318 1
1 542 . 14 1 1 A 59 59 THR N N 59 114.486 114.323 0.163 1
1 543 . 14 1 1 A 60 60 PHE H H 60 8.651 8.319 0.332 1
1 544 . 14 1 1 A 60 60 PHE HA H 60 4.439 4.036 0.403 1
1 549 . 14 1 1 A 60 60 PHE CA C 60 61.359 60.768 0.591 1
1 550 . 14 1 1 A 60 60 PHE CB C 60 38.960 38.077 0.883 1
1 551 . 14 1 1 A 60 60 PHE N N 60 123.173 121.509 1.664 1
1 552 . 14 1 1 A 61 61 ARG H H 61 8.247 8.140 0.107 1
1 553 . 14 1 1 A 61 61 ARG HA H 61 3.932 3.973 -0.041 1
1 560 . 14 1 1 A 61 61 ARG CA C 61 59.472 60.319 -0.847 1
1 561 . 14 1 1 A 61 61 ARG CB C 61 30.162 29.874 0.288 1
1 562 . 14 1 1 A 61 61 ARG N N 61 118.197 120.161 -1.964 1
1 563 . 14 1 1 A 62 62 SER H H 62 8.098 8.186 -0.088 1
1 564 . 14 1 1 A 62 62 SER HA H 62 4.313 4.137 0.176 1
1 567 . 14 1 1 A 62 62 SER CA C 62 61.112 61.879 -0.767 1
1 568 . 14 1 1 A 62 62 SER CB C 62 63.426 62.789 0.637 1
1 569 . 14 1 1 A 62 62 SER N N 62 113.309 117.634 -4.325 1
1 570 . 14 1 1 A 63 63 SER H H 63 8.050 8.033 0.017 1
1 571 . 14 1 1 A 63 63 SER HA H 63 4.361 4.179 0.182 1
1 574 . 14 1 1 A 63 63 SER CA C 63 61.816 61.567 0.249 1
1 575 . 14 1 1 A 63 63 SER CB C 63 64.359 62.801 1.558 1
1 576 . 14 1 1 A 63 63 SER N N 63 118.744 115.655 3.089 1
1 577 . 14 1 1 A 64 64 ILE H H 64 7.813 7.701 0.112 1
1 578 . 14 1 1 A 64 64 ILE HA H 64 3.936 3.678 0.258 1
1 588 . 14 1 1 A 64 64 ILE CA C 64 63.557 65.222 -1.665 1
1 589 . 14 1 1 A 64 64 ILE CB C 64 37.482 37.280 0.202 1
1 590 . 14 1 1 A 64 64 ILE N N 64 120.616 123.056 -2.440 1
1 591 . 14 1 1 A 65 65 ARG H H 65 7.863 8.106 -0.243 1
1 592 . 14 1 1 A 65 65 ARG HA H 65 4.207 4.044 0.163 1
1 600 . 14 1 1 A 65 65 ARG CA C 65 58.617 58.653 -0.036 1
1 601 . 14 1 1 A 65 65 ARG CB C 65 30.088 29.596 0.492 1
1 602 . 14 1 1 A 65 65 ARG N N 65 120.278 120.868 -0.590 1
1 603 . 14 1 1 A 66 66 ARG H H 66 7.934 7.879 0.055 1
1 604 . 14 1 1 A 66 66 ARG HA H 66 4.251 4.106 0.145 1
1 611 . 14 1 1 A 66 66 ARG CA C 66 58.512 59.050 -0.538 1
1 612 . 14 1 1 A 66 66 ARG CB C 66 30.618 29.886 0.732 1
1 613 . 14 1 1 A 66 66 ARG N N 66 119.070 118.778 0.292 1
1 614 . 14 1 1 A 67 67 LEU H H 67 8.014 8.431 -0.417 1
1 615 . 14 1 1 A 67 67 LEU HA H 67 4.259 4.084 0.175 1
1 625 . 14 1 1 A 67 67 LEU CA C 67 57.012 57.538 -0.526 1
1 626 . 14 1 1 A 67 67 LEU CB C 67 42.398 40.996 1.402 1
1 627 . 14 1 1 A 67 67 LEU N N 67 119.999 119.533 0.466 1
1 628 . 14 1 1 A 68 68 SER H H 68 8.091 8.306 -0.215 1
1 629 . 14 1 1 A 68 68 SER HA H 68 4.352 4.197 0.155 1
1 632 . 14 1 1 A 68 68 SER CA C 68 60.421 61.235 -0.814 1
1 633 . 14 1 1 A 68 68 SER CB C 68 63.997 63.038 0.959 1
1 634 . 14 1 1 A 68 68 SER N N 68 113.037 114.703 -1.666 1
1 635 . 14 1 1 A 69 69 THR H H 69 7.765 7.816 -0.051 1
1 640 . 14 1 1 A 69 69 THR CA C 69 63.075 64.314 -1.239 1
1 641 . 14 1 1 A 69 69 THR CB C 69 69.994 70.358 -0.364 1
1 642 . 14 1 1 A 69 69 THR N N 69 113.132 114.885 -1.753 1
1 643 . 14 1 1 A 70 70 ARG H H 70 7.915 8.762 -0.847 1
1 644 . 14 1 1 A 70 70 ARG HA H 70 4.402 4.531 -0.129 1
1 651 . 14 1 1 A 70 70 ARG CA C 70 57.068 58.117 -1.049 1
1 652 . 14 1 1 A 70 70 ARG CB C 70 30.778 29.652 1.126 1
1 653 . 14 1 1 A 70 70 ARG N N 70 121.113 121.138 -0.025 1
1 654 . 14 1 1 A 71 71 ARG H H 71 7.891 8.401 -0.510 1
1 655 . 14 1 1 A 71 71 ARG HA H 71 4.421 4.958 -0.537 1
1 662 . 14 1 1 A 71 71 ARG CA C 71 56.407 54.052 2.355 1
1 663 . 14 1 1 A 71 71 ARG CB C 71 31.156 33.729 -2.573 1
1 664 . 14 1 1 A 71 71 ARG N N 71 118.899 122.482 -3.583 1
1 8 . 15 1 1 A 2 2 SER H H 2 8.707 7.879 0.828 1
1 9 . 15 1 1 A 2 2 SER HA H 2 4.638 4.715 -0.077 1
1 12 . 15 1 1 A 2 2 SER CA C 2 56.699 59.077 -2.378 1
1 13 . 15 1 1 A 2 2 SER CB C 2 63.978 65.054 -1.076 1
1 14 . 15 1 1 A 2 2 SER N N 2 118.975 114.063 4.912 1
1 15 . 15 1 1 A 3 3 PRO HA H 3 4.533 4.373 0.160 1
1 22 . 15 1 1 A 3 3 PRO CA C 3 64.301 64.412 -0.111 1
1 23 . 15 1 1 A 3 3 PRO CB C 3 32.998 31.501 1.497 1
1 24 . 15 1 1 A 4 4 LYS H H 4 8.117 8.411 -0.294 1
1 25 . 15 1 1 A 4 4 LYS HA H 4 4.314 4.160 0.154 1
1 32 . 15 1 1 A 4 4 LYS CA C 4 56.918 58.064 -1.146 1
1 33 . 15 1 1 A 4 4 LYS CB C 4 33.010 32.337 0.673 1
1 34 . 15 1 1 A 4 4 LYS N N 4 118.277 116.926 1.351 1
1 35 . 15 1 1 A 5 5 GLU HA H 5 4.302 4.440 -0.138 1
1 40 . 15 1 1 A 5 5 GLU CA C 5 56.505 56.577 -0.072 1
1 41 . 15 1 1 A 5 5 GLU CB C 5 38.736 30.097 8.639 1
1 42 . 15 1 1 A 6 6 HIS H H 6 8.075 8.863 -0.788 1
1 43 . 15 1 1 A 6 6 HIS HA H 6 4.352 4.497 -0.145 1
1 47 . 15 1 1 A 6 6 HIS CA C 6 55.000 56.624 -1.624 1
1 48 . 15 1 1 A 6 6 HIS CB C 6 29.504 30.364 -0.860 1
1 49 . 15 1 1 A 6 6 HIS N N 6 117.435 120.221 -2.786 1
1 50 . 15 1 1 A 7 7 ASP H H 7 8.249 7.451 0.798 1
1 51 . 15 1 1 A 7 7 ASP HA H 7 4.796 5.039 -0.243 1
1 54 . 15 1 1 A 7 7 ASP CA C 7 51.877 51.473 0.404 1
1 55 . 15 1 1 A 7 7 ASP CB C 7 39.384 41.232 -1.848 1
1 56 . 15 1 1 A 7 7 ASP N N 7 120.163 119.368 0.795 1
1 57 . 15 1 1 A 8 8 PRO HA H 8 4.458 4.191 0.267 1
1 64 . 15 1 1 A 8 8 PRO CA C 8 63.863 64.099 -0.236 1
1 65 . 15 1 1 A 8 8 PRO CB C 8 32.512 31.786 0.726 1
1 66 . 15 1 1 A 9 9 PHE H H 9 7.959 8.303 -0.344 1
1 67 . 15 1 1 A 9 9 PHE HA H 9 4.783 4.200 0.583 1
1 72 . 15 1 1 A 9 9 PHE CA C 9 58.261 60.746 -2.485 1
1 73 . 15 1 1 A 9 9 PHE CB C 9 39.190 38.671 0.519 1
1 74 . 15 1 1 A 9 9 PHE N N 9 118.640 118.454 0.186 1
1 75 . 15 1 1 A 10 10 THR H H 10 7.897 7.641 0.256 1
1 76 . 15 1 1 A 10 10 THR HA H 10 4.440 4.707 -0.267 1
1 81 . 15 1 1 A 10 10 THR CA C 10 62.056 59.452 2.604 1
1 82 . 15 1 1 A 10 10 THR CB C 10 70.112 71.923 -1.811 1
1 83 . 15 1 1 A 10 10 THR N N 10 112.714 110.553 2.161 1
1 84 . 15 1 1 A 11 11 TYR H H 11 7.615 8.875 -1.260 1
1 85 . 15 1 1 A 11 11 TYR HA H 11 4.471 5.034 -0.563 1
1 90 . 15 1 1 A 11 11 TYR CA C 11 58.365 56.224 2.141 1
1 91 . 15 1 1 A 11 11 TYR CB C 11 70.116 41.564 28.552 1
1 92 . 15 1 1 A 11 11 TYR N N 11 122.022 124.397 -2.375 1
1 93 . 15 1 1 A 12 12 ASP H H 12 7.954 9.380 -1.426 1
1 94 . 15 1 1 A 12 12 ASP HA H 12 4.800 4.309 0.491 1
1 97 . 15 1 1 A 12 12 ASP CA C 12 53.013 57.188 -4.175 1
1 98 . 15 1 1 A 12 12 ASP CB C 12 39.384 40.477 -1.093 1
1 99 . 15 1 1 A 12 12 ASP N N 12 121.560 124.160 -2.600 1
1 100 . 15 1 1 A 13 13 TYR H H 13 7.949 8.141 -0.192 1
1 101 . 15 1 1 A 13 13 TYR HA H 13 4.435 4.695 -0.260 1
1 106 . 15 1 1 A 13 13 TYR CA C 13 59.555 58.484 1.071 1
1 107 . 15 1 1 A 13 13 TYR CB C 13 39.589 37.786 1.803 1
1 108 . 15 1 1 A 13 13 TYR N N 13 121.914 117.255 4.659 1
1 109 . 15 1 1 A 14 14 GLN H H 14 8.173 8.079 0.094 1
1 110 . 15 1 1 A 14 14 GLN HA H 14 4.222 4.034 0.188 1
1 115 . 15 1 1 A 14 14 GLN CA C 14 57.621 59.190 -1.569 1
1 116 . 15 1 1 A 14 14 GLN CB C 14 28.821 28.380 0.441 1
1 117 . 15 1 1 A 14 14 GLN N N 14 119.118 121.871 -2.753 1
1 118 . 15 1 1 A 15 15 SER H H 15 7.888 8.359 -0.471 1
1 119 . 15 1 1 A 15 15 SER HA H 15 4.485 4.316 0.169 1
1 122 . 15 1 1 A 15 15 SER CA C 15 59.326 61.381 -2.055 1
1 123 . 15 1 1 A 15 15 SER CB C 15 64.123 62.782 1.341 1
1 124 . 15 1 1 A 15 15 SER N N 15 114.275 114.877 -0.602 1
1 125 . 15 1 1 A 16 16 LEU H H 16 7.791 8.172 -0.381 1
1 126 . 15 1 1 A 16 16 LEU HA H 16 4.430 4.271 0.159 1
1 136 . 15 1 1 A 16 16 LEU CA C 16 55.849 56.249 -0.400 1
1 137 . 15 1 1 A 16 16 LEU CB C 16 43.036 42.115 0.921 1
1 138 . 15 1 1 A 16 16 LEU N N 16 122.606 124.589 -1.983 1
1 139 . 15 1 1 A 17 17 GLN H H 17 8.281 7.973 0.308 1
1 140 . 15 1 1 A 17 17 GLN HA H 17 4.426 4.101 0.325 1
1 145 . 15 1 1 A 17 17 GLN CA C 17 56.500 58.547 -2.047 1
1 146 . 15 1 1 A 17 17 GLN CB C 17 29.338 28.559 0.779 1
1 147 . 15 1 1 A 17 17 GLN N N 17 120.232 118.731 1.501 1
1 148 . 15 1 1 A 18 18 ILE H H 18 7.807 7.790 0.017 1
1 149 . 15 1 1 A 18 18 ILE HA H 18 4.238 4.186 0.052 1
1 159 . 15 1 1 A 18 18 ILE CA C 18 61.932 62.531 -0.599 1
1 160 . 15 1 1 A 18 18 ILE CB C 18 38.997 38.552 0.445 1
1 161 . 15 1 1 A 18 18 ILE N N 18 118.727 118.778 -0.051 1
1 162 . 15 1 1 A 19 19 GLY H H 19 8.106 7.933 0.173 1
1 163 . 15 1 1 A 19 19 GLY HA2 H 19 4.054 3.745 0.309 1
1 164 . 15 1 1 A 19 19 GLY HA3 H 19 4.054 3.750 0.304 1
1 165 . 15 1 1 A 19 19 GLY CA C 19 46.338 47.384 -1.046 1
1 166 . 15 1 1 A 19 19 GLY N N 19 109.552 110.042 -0.490 1
1 167 . 15 1 1 A 20 20 GLY H H 20 8.305 8.551 -0.246 1
1 168 . 15 1 1 A 20 20 GLY HA2 H 20 3.877 3.907 -0.030 1
1 169 . 15 1 1 A 20 20 GLY HA3 H 20 3.877 3.908 -0.031 1
1 170 . 15 1 1 A 20 20 GLY CA C 20 47.746 47.011 0.735 1
1 171 . 15 1 1 A 20 20 GLY N N 20 107.332 108.232 -0.900 1
1 172 . 15 1 1 A 21 21 LEU H H 21 8.046 7.981 0.065 1
1 173 . 15 1 1 A 21 21 LEU HA H 21 4.172 4.053 0.119 1
1 183 . 15 1 1 A 21 21 LEU CA C 21 58.140 57.702 0.438 1
1 184 . 15 1 1 A 21 21 LEU CB C 21 41.812 41.872 -0.060 1
1 185 . 15 1 1 A 21 21 LEU N N 21 119.906 122.914 -3.008 1
1 186 . 15 1 1 A 22 22 VAL H H 22 7.716 8.322 -0.606 1
1 187 . 15 1 1 A 22 22 VAL HA H 22 3.691 3.508 0.183 1
1 195 . 15 1 1 A 22 22 VAL CA C 22 66.872 67.094 -0.222 1
1 196 . 15 1 1 A 22 22 VAL CB C 22 67.290 31.671 35.619 1
1 197 . 15 1 1 A 22 22 VAL N N 22 117.489 117.441 0.048 1
1 198 . 15 1 1 A 23 23 ILE H H 23 7.707 7.820 -0.113 1
1 199 . 15 1 1 A 23 23 ILE HA H 23 3.679 3.857 -0.178 1
1 208 . 15 1 1 A 23 23 ILE CA C 23 65.219 64.266 0.953 1
1 209 . 15 1 1 A 23 23 ILE CB C 23 39.538 37.835 1.703 1
1 210 . 15 1 1 A 23 23 ILE N N 23 117.900 117.333 0.567 1
1 211 . 15 1 1 A 24 24 ALA H H 24 8.248 8.404 -0.156 1
1 215 . 15 1 1 A 24 24 ALA CA C 24 55.723 55.424 0.299 1
1 216 . 15 1 1 A 24 24 ALA CB C 24 18.223 18.338 -0.115 1
1 217 . 15 1 1 A 24 24 ALA N N 24 120.166 124.766 -4.600 1
1 218 . 15 1 1 A 25 25 GLY H H 25 8.482 8.280 0.202 1
1 219 . 15 1 1 A 25 25 GLY HA2 H 25 3.781 3.852 -0.071 1
1 220 . 15 1 1 A 25 25 GLY HA3 H 25 3.692 3.901 -0.209 1
1 221 . 15 1 1 A 25 25 GLY CA C 25 47.860 47.494 0.366 1
1 222 . 15 1 1 A 25 25 GLY N N 25 103.943 107.090 -3.147 1
1 223 . 15 1 1 A 26 26 ILE H H 26 8.401 7.890 0.511 1
1 224 . 15 1 1 A 26 26 ILE HA H 26 3.715 3.846 -0.131 1
1 229 . 15 1 1 A 26 26 ILE CA C 26 65.719 64.675 1.044 1
1 230 . 15 1 1 A 26 26 ILE CB C 26 38.043 37.558 0.485 1
1 231 . 15 1 1 A 26 26 ILE N N 26 120.944 122.636 -1.692 1
1 232 . 15 1 1 A 27 27 LEU H H 27 8.303 8.119 0.184 1
1 233 . 15 1 1 A 27 27 LEU HA H 27 4.011 3.945 0.066 1
1 243 . 15 1 1 A 27 27 LEU CA C 27 58.586 58.264 0.322 1
1 244 . 15 1 1 A 27 27 LEU CB C 27 41.728 41.716 0.012 1
1 245 . 15 1 1 A 27 27 LEU N N 27 118.806 121.312 -2.506 1
1 246 . 15 1 1 A 28 28 PHE H H 28 8.568 7.763 0.805 1
1 247 . 15 1 1 A 28 28 PHE HA H 28 4.238 4.248 -0.010 1
1 252 . 15 1 1 A 28 28 PHE CA C 28 61.596 61.385 0.211 1
1 253 . 15 1 1 A 28 28 PHE CB C 28 39.690 38.617 1.073 1
1 254 . 15 1 1 A 28 28 PHE N N 28 118.499 117.183 1.316 1
1 255 . 15 1 1 A 29 29 ILE H H 29 8.247 8.490 -0.243 1
1 256 . 15 1 1 A 29 29 ILE HA H 29 3.607 3.738 -0.131 1
1 263 . 15 1 1 A 29 29 ILE CA C 29 65.048 64.691 0.357 1
1 264 . 15 1 1 A 29 29 ILE CB C 29 37.293 37.787 -0.494 1
1 265 . 15 1 1 A 29 29 ILE N N 29 117.892 120.335 -2.443 1
1 266 . 15 1 1 A 30 30 LEU H H 30 8.624 8.647 -0.023 1
1 267 . 15 1 1 A 30 30 LEU HA H 30 4.012 3.968 0.044 1
1 277 . 15 1 1 A 30 30 LEU CA C 30 58.624 57.688 0.936 1
1 278 . 15 1 1 A 30 30 LEU CB C 30 42.011 41.656 0.355 1
1 279 . 15 1 1 A 30 30 LEU N N 30 119.146 121.516 -2.370 1
1 280 . 15 1 1 A 31 31 GLY H H 31 8.754 8.411 0.343 1
1 281 . 15 1 1 A 31 31 GLY HA2 H 31 3.643 3.736 -0.093 1
1 282 . 15 1 1 A 31 31 GLY HA3 H 31 3.643 3.740 -0.097 1
1 283 . 15 1 1 A 31 31 GLY CA C 31 48.068 47.418 0.650 1
1 284 . 15 1 1 A 31 31 GLY N N 31 106.000 106.795 -0.795 1
1 285 . 15 1 1 A 32 32 ILE H H 32 8.303 8.714 -0.411 1
1 286 . 15 1 1 A 32 32 ILE HA H 32 3.622 3.830 -0.208 1
1 296 . 15 1 1 A 32 32 ILE CA C 32 65.126 64.652 0.474 1
1 297 . 15 1 1 A 32 32 ILE CB C 32 39.126 37.932 1.194 1
1 298 . 15 1 1 A 32 32 ILE N N 32 120.840 122.476 -1.636 1
1 299 . 15 1 1 A 33 33 LEU H H 33 8.388 7.967 0.421 1
1 300 . 15 1 1 A 33 33 LEU HA H 33 4.042 3.989 0.053 1
1 310 . 15 1 1 A 33 33 LEU CA C 33 58.672 58.185 0.487 1
1 311 . 15 1 1 A 33 33 LEU CB C 33 40.359 41.466 -1.107 1
1 312 . 15 1 1 A 33 33 LEU N N 33 119.523 119.215 0.308 1
1 313 . 15 1 1 A 34 34 ILE H H 34 8.703 8.549 0.154 1
1 314 . 15 1 1 A 34 34 ILE HA H 34 3.685 3.570 0.115 1
1 319 . 15 1 1 A 34 34 ILE CA C 34 66.120 65.383 0.737 1
1 320 . 15 1 1 A 34 34 ILE CB C 34 37.627 37.634 -0.007 1
1 321 . 15 1 1 A 34 34 ILE N N 34 120.906 119.670 1.236 1
1 322 . 15 1 1 A 35 35 VAL H H 35 8.359 8.104 0.255 1
1 323 . 15 1 1 A 35 35 VAL HA H 35 3.690 3.634 0.056 1
1 331 . 15 1 1 A 35 35 VAL CA C 35 67.546 66.756 0.790 1
1 332 . 15 1 1 A 35 35 VAL CB C 35 31.619 31.818 -0.199 1
1 333 . 15 1 1 A 35 35 VAL N N 35 120.794 119.400 1.394 1
1 334 . 15 1 1 A 36 36 LEU H H 36 9.002 8.140 0.862 1
1 335 . 15 1 1 A 36 36 LEU HA H 36 4.095 4.045 0.050 1
1 345 . 15 1 1 A 36 36 LEU CA C 36 58.589 57.819 0.770 1
1 346 . 15 1 1 A 36 36 LEU CB C 36 42.017 40.915 1.102 1
1 347 . 15 1 1 A 36 36 LEU N N 36 119.433 117.960 1.473 1
1 348 . 15 1 1 A 37 37 SER H H 37 8.585 8.088 0.497 1
1 349 . 15 1 1 A 37 37 SER HA H 37 4.632 4.095 0.537 1
1 352 . 15 1 1 A 37 37 SER CA C 37 62.896 62.085 0.811 1
1 353 . 15 1 1 A 37 37 SER CB C 37 63.973 62.738 1.235 1
1 354 . 15 1 1 A 37 37 SER N N 37 115.400 114.454 0.946 1
1 355 . 15 1 1 A 38 38 ARG H H 38 8.180 7.881 0.299 1
1 356 . 15 1 1 A 38 38 ARG HA H 38 4.218 4.129 0.089 1
1 363 . 15 1 1 A 38 38 ARG CA C 38 59.259 59.302 -0.043 1
1 364 . 15 1 1 A 38 38 ARG CB C 38 30.751 29.953 0.798 1
1 365 . 15 1 1 A 38 38 ARG N N 38 121.516 122.341 -0.825 1
1 366 . 15 1 1 A 39 39 ARG H H 39 8.362 7.657 0.705 1
1 367 . 15 1 1 A 39 39 ARG HA H 39 4.373 4.080 0.293 1
1 374 . 15 1 1 A 39 39 ARG CA C 39 58.095 59.272 -1.177 1
1 375 . 15 1 1 A 39 39 ARG CB C 39 30.581 29.891 0.690 1
1 376 . 15 1 1 A 39 39 ARG N N 39 117.803 118.682 -0.879 1
1 377 . 15 1 1 A 40 40 CYS H H 40 8.423 8.289 0.134 1
1 378 . 15 1 1 A 40 40 CYS HA H 40 4.447 4.256 0.191 1
1 381 . 15 1 1 A 40 40 CYS CA C 40 61.514 62.153 -0.639 1
1 382 . 15 1 1 A 40 40 CYS CB C 40 28.091 27.423 0.668 1
1 383 . 15 1 1 A 40 40 CYS N N 40 116.351 118.643 -2.292 1
1 384 . 15 1 1 A 41 41 ARG H H 41 8.095 8.379 -0.284 1
1 385 . 15 1 1 A 41 41 ARG HA H 41 4.204 4.104 0.100 1
1 392 . 15 1 1 A 41 41 ARG CA C 41 58.876 59.480 -0.604 1
1 393 . 15 1 1 A 41 41 ARG CB C 41 30.227 29.987 0.240 1
1 394 . 15 1 1 A 41 41 ARG N N 41 119.841 121.270 -1.429 1
1 395 . 15 1 1 A 42 42 CYS H H 42 8.061 7.908 0.153 1
1 396 . 15 1 1 A 42 42 CYS HA H 42 4.435 4.295 0.140 1
1 399 . 15 1 1 A 42 42 CYS CA C 42 60.508 63.648 -3.140 1
1 400 . 15 1 1 A 42 42 CYS CB C 42 27.409 27.034 0.375 1
1 401 . 15 1 1 A 42 42 CYS N N 42 116.220 117.912 -1.692 1
1 402 . 15 1 1 A 43 43 LYS H H 43 7.936 8.481 -0.545 1
1 403 . 15 1 1 A 43 43 LYS HA H 43 4.244 4.152 0.092 1
1 408 . 15 1 1 A 43 43 LYS CA C 43 57.480 58.345 -0.865 1
1 409 . 15 1 1 A 43 43 LYS CB C 43 32.888 32.286 0.602 1
1 410 . 15 1 1 A 43 43 LYS N N 43 120.337 120.564 -0.227 1
1 411 . 15 1 1 A 44 44 PHE H H 44 7.966 8.588 -0.622 1
1 412 . 15 1 1 A 44 44 PHE HA H 44 4.664 4.066 0.598 1
1 417 . 15 1 1 A 44 44 PHE CA C 44 58.606 61.642 -3.036 1
1 418 . 15 1 1 A 44 44 PHE CB C 44 39.452 39.243 0.209 1
1 419 . 15 1 1 A 44 44 PHE N N 44 118.202 121.370 -3.168 1
1 420 . 15 1 1 A 45 45 ASN H H 45 8.147 7.631 0.516 1
1 421 . 15 1 1 A 45 45 ASN HA H 45 4.771 4.338 0.433 1
1 426 . 15 1 1 A 45 45 ASN CA C 45 53.951 52.388 1.563 1
1 427 . 15 1 1 A 45 45 ASN CB C 45 39.301 38.738 0.563 1
1 428 . 15 1 1 A 45 45 ASN N N 45 118.296 116.494 1.802 1
1 430 . 15 1 1 A 46 46 GLN H H 46 8.209 8.431 -0.222 1
1 431 . 15 1 1 A 46 46 GLN HA H 46 4.344 4.039 0.305 1
1 436 . 15 1 1 A 46 46 GLN CA C 46 56.832 58.300 -1.468 1
1 437 . 15 1 1 A 46 46 GLN CB C 46 29.314 27.891 1.423 1
1 438 . 15 1 1 A 46 46 GLN N N 46 119.469 125.518 -6.049 1
1 439 . 15 1 1 A 47 47 GLN H H 47 8.221 8.002 0.219 1
1 440 . 15 1 1 A 47 47 GLN CA C 47 56.832 59.146 -2.314 1
1 441 . 15 1 1 A 47 47 GLN CB C 47 29.314 28.329 0.985 1
1 442 . 15 1 1 A 47 47 GLN N N 47 119.452 119.754 -0.302 1
1 443 . 15 1 1 A 48 48 GLN H H 48 8.058 7.677 0.381 1
1 444 . 15 1 1 A 48 48 GLN HA H 48 4.394 4.175 0.219 1
1 449 . 15 1 1 A 48 48 GLN CA C 48 56.600 58.113 -1.513 1
1 450 . 15 1 1 A 48 48 GLN CB C 48 29.578 29.008 0.570 1
1 451 . 15 1 1 A 48 48 GLN N N 48 119.642 118.654 0.988 1
1 452 . 15 1 1 A 49 49 ARG H H 49 8.255 7.607 0.648 1
1 453 . 15 1 1 A 49 49 ARG HA H 49 4.475 4.539 -0.064 1
1 460 . 15 1 1 A 49 49 ARG CA C 49 56.569 54.864 1.705 1
1 461 . 15 1 1 A 49 49 ARG CB C 49 30.919 30.168 0.751 1
1 462 . 15 1 1 A 49 49 ARG N N 49 121.599 113.770 7.829 1
1 463 . 15 1 1 A 50 50 THR H H 50 8.113 8.462 -0.349 1
1 464 . 15 1 1 A 50 50 THR HA H 50 4.438 4.288 0.150 1
1 469 . 15 1 1 A 50 50 THR CA C 50 62.130 63.752 -1.622 1
1 470 . 15 1 1 A 50 50 THR CB C 50 70.380 67.713 2.667 1
1 471 . 15 1 1 A 50 50 THR N N 50 113.660 110.001 3.659 1
1 472 . 15 1 1 A 51 51 GLY H H 51 8.296 8.928 -0.632 1
1 473 . 15 1 1 A 51 51 GLY HA2 H 51 4.060 4.283 -0.223 1
1 474 . 15 1 1 A 51 51 GLY HA3 H 51 4.060 4.311 -0.251 1
1 475 . 15 1 1 A 51 51 GLY CA C 51 45.374 44.505 0.869 1
1 476 . 15 1 1 A 51 51 GLY N N 51 110.876 111.679 -0.803 1
1 477 . 15 1 1 A 52 52 GLU H H 52 8.153 8.971 -0.818 1
1 478 . 15 1 1 A 52 52 GLU HA H 52 4.729 4.850 -0.121 1
1 483 . 15 1 1 A 52 52 GLU CA C 52 54.072 53.291 0.781 1
1 484 . 15 1 1 A 52 52 GLU CB C 52 29.347 30.861 -1.514 1
1 485 . 15 1 1 A 52 52 GLU N N 52 120.834 124.561 -3.727 1
1 486 . 15 1 1 A 53 53 PRO HA H 53 4.495 4.259 0.236 1
1 493 . 15 1 1 A 53 53 PRO CA C 53 63.749 63.384 0.365 1
1 494 . 15 1 1 A 53 53 PRO CB C 53 32.309 32.531 -0.222 1
1 495 . 15 1 1 A 54 54 ASP H H 54 8.402 8.785 -0.383 1
1 496 . 15 1 1 A 54 54 ASP HA H 54 4.677 4.179 0.498 1
1 499 . 15 1 1 A 54 54 ASP CA C 54 54.210 54.776 -0.566 1
1 500 . 15 1 1 A 54 54 ASP CB C 54 40.375 39.320 1.055 1
1 501 . 15 1 1 A 54 54 ASP N N 54 119.287 116.619 2.668 1
1 502 . 15 1 1 A 55 55 GLU H H 55 8.249 8.106 0.143 1
1 503 . 15 1 1 A 55 55 GLU HA H 55 4.650 4.778 -0.128 1
1 508 . 15 1 1 A 55 55 GLU CA C 55 56.397 55.171 1.226 1
1 509 . 15 1 1 A 55 55 GLU CB C 55 29.461 29.750 -0.289 1
1 510 . 15 1 1 A 55 55 GLU N N 55 120.671 116.767 3.904 1
1 511 . 15 1 1 A 56 56 GLU H H 56 8.257 8.621 -0.364 1
1 512 . 15 1 1 A 56 56 GLU HA H 56 4.396 4.297 0.099 1
1 517 . 15 1 1 A 56 56 GLU CA C 56 56.414 58.762 -2.348 1
1 518 . 15 1 1 A 56 56 GLU CB C 56 29.461 30.625 -1.164 1
1 519 . 15 1 1 A 56 56 GLU N N 56 119.852 124.810 -4.958 1
1 520 . 15 1 1 A 57 57 GLU H H 57 8.311 7.776 0.535 1
1 521 . 15 1 1 A 57 57 GLU HA H 57 4.453 4.911 -0.458 1
1 526 . 15 1 1 A 57 57 GLU CA C 57 56.350 54.811 1.539 1
1 527 . 15 1 1 A 57 57 GLU CB C 57 29.959 32.632 -2.673 1
1 528 . 15 1 1 A 57 57 GLU N N 57 121.046 117.958 3.088 1
1 529 . 15 1 1 A 58 58 GLY H H 58 8.407 8.332 0.075 1
1 530 . 15 1 1 A 58 58 GLY HA2 H 58 4.190 3.644 0.546 1
1 531 . 15 1 1 A 58 58 GLY HA3 H 58 4.190 4.160 0.030 1
1 532 . 15 1 1 A 58 58 GLY CA C 58 45.841 46.057 -0.216 1
1 533 . 15 1 1 A 58 58 GLY N N 58 109.873 109.329 0.544 1
1 534 . 15 1 1 A 59 59 THR H H 59 8.141 7.033 1.108 1
1 535 . 15 1 1 A 59 59 THR HA H 59 4.348 3.948 0.400 1
1 540 . 15 1 1 A 59 59 THR CA C 59 63.622 63.568 0.054 1
1 541 . 15 1 1 A 59 59 THR CB C 59 70.393 67.802 2.591 1
1 542 . 15 1 1 A 59 59 THR N N 59 114.486 118.346 -3.860 1
1 543 . 15 1 1 A 60 60 PHE H H 60 8.651 7.404 1.247 1
1 544 . 15 1 1 A 60 60 PHE HA H 60 4.439 4.111 0.328 1
1 549 . 15 1 1 A 60 60 PHE CA C 60 61.359 61.211 0.148 1
1 550 . 15 1 1 A 60 60 PHE CB C 60 38.960 38.325 0.635 1
1 551 . 15 1 1 A 60 60 PHE N N 60 123.173 120.555 2.618 1
1 552 . 15 1 1 A 61 61 ARG H H 61 8.247 7.746 0.501 1
1 553 . 15 1 1 A 61 61 ARG HA H 61 3.932 4.049 -0.117 1
1 560 . 15 1 1 A 61 61 ARG CA C 61 59.472 60.194 -0.722 1
1 561 . 15 1 1 A 61 61 ARG CB C 61 30.162 29.893 0.269 1
1 562 . 15 1 1 A 61 61 ARG N N 61 118.197 120.012 -1.815 1
1 563 . 15 1 1 A 62 62 SER H H 62 8.098 8.011 0.087 1
1 564 . 15 1 1 A 62 62 SER HA H 62 4.313 4.152 0.161 1
1 567 . 15 1 1 A 62 62 SER CA C 62 61.112 61.936 -0.824 1
1 568 . 15 1 1 A 62 62 SER CB C 62 63.426 62.878 0.548 1
1 569 . 15 1 1 A 62 62 SER N N 62 113.309 117.603 -4.294 1
1 570 . 15 1 1 A 63 63 SER H H 63 8.050 8.199 -0.149 1
1 571 . 15 1 1 A 63 63 SER HA H 63 4.361 4.202 0.159 1
1 574 . 15 1 1 A 63 63 SER CA C 63 61.816 61.599 0.217 1
1 575 . 15 1 1 A 63 63 SER CB C 63 64.359 62.534 1.825 1
1 576 . 15 1 1 A 63 63 SER N N 63 118.744 115.682 3.062 1
1 577 . 15 1 1 A 64 64 ILE H H 64 7.813 7.492 0.321 1
1 578 . 15 1 1 A 64 64 ILE HA H 64 3.936 3.671 0.265 1
1 588 . 15 1 1 A 64 64 ILE CA C 64 63.557 65.247 -1.690 1
1 589 . 15 1 1 A 64 64 ILE CB C 64 37.482 37.211 0.271 1
1 590 . 15 1 1 A 64 64 ILE N N 64 120.616 123.081 -2.465 1
1 591 . 15 1 1 A 65 65 ARG H H 65 7.863 7.843 0.020 1
1 592 . 15 1 1 A 65 65 ARG HA H 65 4.207 3.887 0.320 1
1 600 . 15 1 1 A 65 65 ARG CA C 65 58.617 59.219 -0.602 1
1 601 . 15 1 1 A 65 65 ARG CB C 65 30.088 29.833 0.255 1
1 602 . 15 1 1 A 65 65 ARG N N 65 120.278 121.658 -1.380 1
1 603 . 15 1 1 A 66 66 ARG H H 66 7.934 7.675 0.259 1
1 604 . 15 1 1 A 66 66 ARG HA H 66 4.251 4.085 0.166 1
1 611 . 15 1 1 A 66 66 ARG CA C 66 58.512 58.692 -0.180 1
1 612 . 15 1 1 A 66 66 ARG CB C 66 30.618 30.120 0.498 1
1 613 . 15 1 1 A 66 66 ARG N N 66 119.070 120.184 -1.114 1
1 614 . 15 1 1 A 67 67 LEU H H 67 8.014 8.048 -0.034 1
1 615 . 15 1 1 A 67 67 LEU HA H 67 4.259 4.063 0.196 1
1 625 . 15 1 1 A 67 67 LEU CA C 67 57.012 57.452 -0.440 1
1 626 . 15 1 1 A 67 67 LEU CB C 67 42.398 41.631 0.767 1
1 627 . 15 1 1 A 67 67 LEU N N 67 119.999 121.442 -1.443 1
1 628 . 15 1 1 A 68 68 SER H H 68 8.091 8.321 -0.230 1
1 629 . 15 1 1 A 68 68 SER HA H 68 4.352 4.256 0.096 1
1 632 . 15 1 1 A 68 68 SER CA C 68 60.421 61.213 -0.792 1
1 633 . 15 1 1 A 68 68 SER CB C 68 63.997 62.923 1.074 1
1 634 . 15 1 1 A 68 68 SER N N 68 113.037 114.754 -1.717 1
1 635 . 15 1 1 A 69 69 THR H H 69 7.765 7.719 0.046 1
1 640 . 15 1 1 A 69 69 THR CA C 69 63.075 63.244 -0.169 1
1 641 . 15 1 1 A 69 69 THR CB C 69 69.994 69.535 0.459 1
1 642 . 15 1 1 A 69 69 THR N N 69 113.132 112.791 0.341 1
1 643 . 15 1 1 A 70 70 ARG H H 70 7.915 9.185 -1.270 1
1 644 . 15 1 1 A 70 70 ARG HA H 70 4.402 3.964 0.438 1
1 651 . 15 1 1 A 70 70 ARG CA C 70 57.068 59.427 -2.359 1
1 652 . 15 1 1 A 70 70 ARG CB C 70 30.778 30.219 0.559 1
1 653 . 15 1 1 A 70 70 ARG N N 70 121.113 121.653 -0.540 1
1 654 . 15 1 1 A 71 71 ARG H H 71 7.891 7.630 0.261 1
1 655 . 15 1 1 A 71 71 ARG HA H 71 4.421 4.693 -0.272 1
1 662 . 15 1 1 A 71 71 ARG CA C 71 56.407 54.271 2.136 1
1 663 . 15 1 1 A 71 71 ARG CB C 71 31.156 33.282 -2.126 1
1 664 . 15 1 1 A 71 71 ARG N N 71 118.899 114.541 4.358 1
1 8 . 16 1 1 A 2 2 SER H H 2 8.707 8.323 0.384 1
1 9 . 16 1 1 A 2 2 SER HA H 2 4.638 4.140 0.498 1
1 12 . 16 1 1 A 2 2 SER CA C 2 56.699 62.779 -6.080 1
1 13 . 16 1 1 A 2 2 SER CB C 2 63.978 61.546 2.432 1
1 14 . 16 1 1 A 2 2 SER N N 2 118.975 114.558 4.417 1
1 15 . 16 1 1 A 3 3 PRO HA H 3 4.533 4.315 0.218 1
1 22 . 16 1 1 A 3 3 PRO CA C 3 64.301 64.464 -0.163 1
1 23 . 16 1 1 A 3 3 PRO CB C 3 32.998 31.422 1.576 1
1 24 . 16 1 1 A 4 4 LYS H H 4 8.117 8.322 -0.205 1
1 25 . 16 1 1 A 4 4 LYS HA H 4 4.314 4.104 0.210 1
1 32 . 16 1 1 A 4 4 LYS CA C 4 56.918 57.720 -0.802 1
1 33 . 16 1 1 A 4 4 LYS CB C 4 33.010 32.414 0.596 1
1 34 . 16 1 1 A 4 4 LYS N N 4 118.277 117.010 1.267 1
1 35 . 16 1 1 A 5 5 GLU HA H 5 4.302 4.808 -0.506 1
1 40 . 16 1 1 A 5 5 GLU CA C 5 56.505 54.830 1.675 1
1 41 . 16 1 1 A 5 5 GLU CB C 5 38.736 31.706 7.030 1
1 42 . 16 1 1 A 6 6 HIS H H 6 8.075 8.989 -0.914 1
1 43 . 16 1 1 A 6 6 HIS HA H 6 4.352 5.189 -0.837 1
1 47 . 16 1 1 A 6 6 HIS CA C 6 55.000 54.838 0.162 1
1 48 . 16 1 1 A 6 6 HIS CB C 6 29.504 33.761 -4.257 1
1 49 . 16 1 1 A 6 6 HIS N N 6 117.435 119.002 -1.567 1
1 50 . 16 1 1 A 7 7 ASP H H 7 8.249 9.007 -0.758 1
1 51 . 16 1 1 A 7 7 ASP HA H 7 4.796 5.126 -0.330 1
1 54 . 16 1 1 A 7 7 ASP CA C 7 51.877 51.711 0.166 1
1 55 . 16 1 1 A 7 7 ASP CB C 7 39.384 41.724 -2.340 1
1 56 . 16 1 1 A 7 7 ASP N N 7 120.163 123.141 -2.978 1
1 57 . 16 1 1 A 8 8 PRO HA H 8 4.458 4.446 0.012 1
1 64 . 16 1 1 A 8 8 PRO CA C 8 63.863 64.864 -1.001 1
1 65 . 16 1 1 A 8 8 PRO CB C 8 32.512 31.959 0.553 1
1 66 . 16 1 1 A 9 9 PHE H H 9 7.959 7.816 0.143 1
1 67 . 16 1 1 A 9 9 PHE HA H 9 4.783 4.271 0.512 1
1 72 . 16 1 1 A 9 9 PHE CA C 9 58.261 61.081 -2.820 1
1 73 . 16 1 1 A 9 9 PHE CB C 9 39.190 38.121 1.069 1
1 74 . 16 1 1 A 9 9 PHE N N 9 118.640 117.233 1.407 1
1 75 . 16 1 1 A 10 10 THR H H 10 7.897 8.145 -0.248 1
1 76 . 16 1 1 A 10 10 THR HA H 10 4.440 3.989 0.451 1
1 81 . 16 1 1 A 10 10 THR CA C 10 62.056 66.254 -4.198 1
1 82 . 16 1 1 A 10 10 THR CB C 10 70.112 68.515 1.597 1
1 83 . 16 1 1 A 10 10 THR N N 10 112.714 113.662 -0.948 1
1 84 . 16 1 1 A 11 11 TYR H H 11 7.615 7.914 -0.299 1
1 85 . 16 1 1 A 11 11 TYR HA H 11 4.471 5.195 -0.724 1
1 90 . 16 1 1 A 11 11 TYR CA C 11 58.365 56.758 1.607 1
1 91 . 16 1 1 A 11 11 TYR CB C 11 70.116 41.148 28.968 1
1 92 . 16 1 1 A 11 11 TYR N N 11 122.022 117.403 4.619 1
1 93 . 16 1 1 A 12 12 ASP H H 12 7.954 9.046 -1.092 1
1 94 . 16 1 1 A 12 12 ASP HA H 12 4.800 4.775 0.025 1
1 97 . 16 1 1 A 12 12 ASP CA C 12 53.013 54.610 -1.597 1
1 98 . 16 1 1 A 12 12 ASP CB C 12 39.384 41.339 -1.955 1
1 99 . 16 1 1 A 12 12 ASP N N 12 121.560 123.853 -2.293 1
1 100 . 16 1 1 A 13 13 TYR H H 13 7.949 8.058 -0.109 1
1 101 . 16 1 1 A 13 13 TYR HA H 13 4.435 4.654 -0.219 1
1 106 . 16 1 1 A 13 13 TYR CA C 13 59.555 58.471 1.084 1
1 107 . 16 1 1 A 13 13 TYR CB C 13 39.589 37.797 1.792 1
1 108 . 16 1 1 A 13 13 TYR N N 13 121.914 117.666 4.248 1
1 109 . 16 1 1 A 14 14 GLN H H 14 8.173 8.041 0.132 1
1 110 . 16 1 1 A 14 14 GLN HA H 14 4.222 3.971 0.251 1
1 115 . 16 1 1 A 14 14 GLN CA C 14 57.621 59.031 -1.410 1
1 116 . 16 1 1 A 14 14 GLN CB C 14 28.821 28.336 0.485 1
1 117 . 16 1 1 A 14 14 GLN N N 14 119.118 121.547 -2.429 1
1 118 . 16 1 1 A 15 15 SER H H 15 7.888 7.849 0.039 1
1 119 . 16 1 1 A 15 15 SER HA H 15 4.485 4.349 0.136 1
1 122 . 16 1 1 A 15 15 SER CA C 15 59.326 61.862 -2.536 1
1 123 . 16 1 1 A 15 15 SER CB C 15 64.123 63.102 1.021 1
1 124 . 16 1 1 A 15 15 SER N N 15 114.275 116.069 -1.794 1
1 125 . 16 1 1 A 16 16 LEU H H 16 7.791 8.173 -0.382 1
1 126 . 16 1 1 A 16 16 LEU HA H 16 4.430 4.165 0.265 1
1 136 . 16 1 1 A 16 16 LEU CA C 16 55.849 56.688 -0.839 1
1 137 . 16 1 1 A 16 16 LEU CB C 16 43.036 41.713 1.323 1
1 138 . 16 1 1 A 16 16 LEU N N 16 122.606 122.149 0.457 1
1 139 . 16 1 1 A 17 17 GLN H H 17 8.281 8.373 -0.092 1
1 140 . 16 1 1 A 17 17 GLN HA H 17 4.426 4.087 0.339 1
1 145 . 16 1 1 A 17 17 GLN CA C 17 56.500 58.723 -2.223 1
1 146 . 16 1 1 A 17 17 GLN CB C 17 29.338 28.343 0.995 1
1 147 . 16 1 1 A 17 17 GLN N N 17 120.232 118.327 1.905 1
1 148 . 16 1 1 A 18 18 ILE H H 18 7.807 7.755 0.052 1
1 149 . 16 1 1 A 18 18 ILE HA H 18 4.238 4.250 -0.012 1
1 159 . 16 1 1 A 18 18 ILE CA C 18 61.932 61.020 0.912 1
1 160 . 16 1 1 A 18 18 ILE CB C 18 38.997 37.960 1.037 1
1 161 . 16 1 1 A 18 18 ILE N N 18 118.727 115.707 3.020 1
1 162 . 16 1 1 A 19 19 GLY H H 19 8.106 8.363 -0.257 1
1 163 . 16 1 1 A 19 19 GLY HA2 H 19 4.054 3.627 0.427 1
1 164 . 16 1 1 A 19 19 GLY HA3 H 19 4.054 3.631 0.423 1
1 165 . 16 1 1 A 19 19 GLY CA C 19 46.338 47.255 -0.917 1
1 166 . 16 1 1 A 19 19 GLY N N 19 109.552 111.230 -1.678 1
1 167 . 16 1 1 A 20 20 GLY H H 20 8.305 8.384 -0.079 1
1 168 . 16 1 1 A 20 20 GLY HA2 H 20 3.877 3.758 0.119 1
1 169 . 16 1 1 A 20 20 GLY HA3 H 20 3.877 3.762 0.115 1
1 170 . 16 1 1 A 20 20 GLY CA C 20 47.746 47.008 0.738 1
1 171 . 16 1 1 A 20 20 GLY N N 20 107.332 109.217 -1.885 1
1 172 . 16 1 1 A 21 21 LEU H H 21 8.046 7.997 0.049 1
1 173 . 16 1 1 A 21 21 LEU HA H 21 4.172 3.967 0.205 1
1 183 . 16 1 1 A 21 21 LEU CA C 21 58.140 57.650 0.490 1
1 184 . 16 1 1 A 21 21 LEU CB C 21 41.812 41.865 -0.053 1
1 185 . 16 1 1 A 21 21 LEU N N 21 119.906 123.053 -3.147 1
1 186 . 16 1 1 A 22 22 VAL H H 22 7.716 7.790 -0.074 1
1 187 . 16 1 1 A 22 22 VAL HA H 22 3.691 3.446 0.245 1
1 195 . 16 1 1 A 22 22 VAL CA C 22 66.872 66.940 -0.068 1
1 196 . 16 1 1 A 22 22 VAL CB C 22 67.290 31.811 35.479 1
1 197 . 16 1 1 A 22 22 VAL N N 22 117.489 117.808 -0.319 1
1 198 . 16 1 1 A 23 23 ILE H H 23 7.707 7.664 0.043 1
1 199 . 16 1 1 A 23 23 ILE HA H 23 3.679 3.863 -0.184 1
1 208 . 16 1 1 A 23 23 ILE CA C 23 65.219 64.175 1.044 1
1 209 . 16 1 1 A 23 23 ILE CB C 23 39.538 37.792 1.746 1
1 210 . 16 1 1 A 23 23 ILE N N 23 117.900 117.299 0.601 1
1 211 . 16 1 1 A 24 24 ALA H H 24 8.248 8.491 -0.243 1
1 215 . 16 1 1 A 24 24 ALA CA C 24 55.723 55.324 0.399 1
1 216 . 16 1 1 A 24 24 ALA CB C 24 18.223 18.387 -0.164 1
1 217 . 16 1 1 A 24 24 ALA N N 24 120.166 124.491 -4.325 1
1 218 . 16 1 1 A 25 25 GLY H H 25 8.482 8.141 0.341 1
1 219 . 16 1 1 A 25 25 GLY HA2 H 25 3.781 3.750 0.031 1
1 220 . 16 1 1 A 25 25 GLY HA3 H 25 3.692 3.775 -0.083 1
1 221 . 16 1 1 A 25 25 GLY CA C 25 47.860 47.424 0.436 1
1 222 . 16 1 1 A 25 25 GLY N N 25 103.943 106.585 -2.642 1
1 223 . 16 1 1 A 26 26 ILE H H 26 8.401 7.857 0.544 1
1 224 . 16 1 1 A 26 26 ILE HA H 26 3.715 4.030 -0.315 1
1 229 . 16 1 1 A 26 26 ILE CA C 26 65.719 63.093 2.626 1
1 230 . 16 1 1 A 26 26 ILE CB C 26 38.043 37.615 0.428 1
1 231 . 16 1 1 A 26 26 ILE N N 26 120.944 122.221 -1.277 1
1 232 . 16 1 1 A 27 27 LEU H H 27 8.303 8.073 0.230 1
1 233 . 16 1 1 A 27 27 LEU HA H 27 4.011 4.064 -0.053 1
1 243 . 16 1 1 A 27 27 LEU CA C 27 58.586 58.257 0.329 1
1 244 . 16 1 1 A 27 27 LEU CB C 27 41.728 41.874 -0.146 1
1 245 . 16 1 1 A 27 27 LEU N N 27 118.806 122.684 -3.878 1
1 246 . 16 1 1 A 28 28 PHE H H 28 8.568 8.009 0.559 1
1 247 . 16 1 1 A 28 28 PHE HA H 28 4.238 4.215 0.023 1
1 252 . 16 1 1 A 28 28 PHE CA C 28 61.596 60.931 0.665 1
1 253 . 16 1 1 A 28 28 PHE CB C 28 39.690 38.589 1.101 1
1 254 . 16 1 1 A 28 28 PHE N N 28 118.499 117.462 1.037 1
1 255 . 16 1 1 A 29 29 ILE H H 29 8.247 8.451 -0.204 1
1 256 . 16 1 1 A 29 29 ILE HA H 29 3.607 3.899 -0.292 1
1 263 . 16 1 1 A 29 29 ILE CA C 29 65.048 64.014 1.034 1
1 264 . 16 1 1 A 29 29 ILE CB C 29 37.293 37.674 -0.381 1
1 265 . 16 1 1 A 29 29 ILE N N 29 117.892 119.878 -1.986 1
1 266 . 16 1 1 A 30 30 LEU H H 30 8.624 8.408 0.216 1
1 267 . 16 1 1 A 30 30 LEU HA H 30 4.012 4.044 -0.032 1
1 277 . 16 1 1 A 30 30 LEU CA C 30 58.624 58.101 0.523 1
1 278 . 16 1 1 A 30 30 LEU CB C 30 42.011 41.719 0.292 1
1 279 . 16 1 1 A 30 30 LEU N N 30 119.146 121.563 -2.417 1
1 280 . 16 1 1 A 31 31 GLY H H 31 8.754 8.438 0.316 1
1 281 . 16 1 1 A 31 31 GLY HA2 H 31 3.643 3.653 -0.010 1
1 282 . 16 1 1 A 31 31 GLY HA3 H 31 3.643 3.704 -0.061 1
1 283 . 16 1 1 A 31 31 GLY CA C 31 48.068 47.388 0.680 1
1 284 . 16 1 1 A 31 31 GLY N N 31 106.000 106.760 -0.760 1
1 285 . 16 1 1 A 32 32 ILE H H 32 8.303 8.485 -0.182 1
1 286 . 16 1 1 A 32 32 ILE HA H 32 3.622 3.783 -0.161 1
1 296 . 16 1 1 A 32 32 ILE CA C 32 65.126 64.573 0.553 1
1 297 . 16 1 1 A 32 32 ILE CB C 32 39.126 37.989 1.137 1
1 298 . 16 1 1 A 32 32 ILE N N 32 120.840 122.461 -1.621 1
1 299 . 16 1 1 A 33 33 LEU H H 33 8.388 8.208 0.180 1
1 300 . 16 1 1 A 33 33 LEU HA H 33 4.042 4.029 0.013 1
1 310 . 16 1 1 A 33 33 LEU CA C 33 58.672 58.063 0.609 1
1 311 . 16 1 1 A 33 33 LEU CB C 33 40.359 41.629 -1.270 1
1 312 . 16 1 1 A 33 33 LEU N N 33 119.523 119.473 0.050 1
1 313 . 16 1 1 A 34 34 ILE H H 34 8.703 8.693 0.010 1
1 314 . 16 1 1 A 34 34 ILE HA H 34 3.685 3.561 0.124 1
1 319 . 16 1 1 A 34 34 ILE CA C 34 66.120 65.386 0.734 1
1 320 . 16 1 1 A 34 34 ILE CB C 34 37.627 37.753 -0.126 1
1 321 . 16 1 1 A 34 34 ILE N N 34 120.906 119.708 1.198 1
1 322 . 16 1 1 A 35 35 VAL H H 35 8.359 7.939 0.420 1
1 323 . 16 1 1 A 35 35 VAL HA H 35 3.690 3.598 0.092 1
1 331 . 16 1 1 A 35 35 VAL CA C 35 67.546 66.730 0.816 1
1 332 . 16 1 1 A 35 35 VAL CB C 35 31.619 31.759 -0.140 1
1 333 . 16 1 1 A 35 35 VAL N N 35 120.794 119.238 1.556 1
1 334 . 16 1 1 A 36 36 LEU H H 36 9.002 8.092 0.910 1
1 335 . 16 1 1 A 36 36 LEU HA H 36 4.095 4.042 0.053 1
1 345 . 16 1 1 A 36 36 LEU CA C 36 58.589 57.787 0.802 1
1 346 . 16 1 1 A 36 36 LEU CB C 36 42.017 40.786 1.231 1
1 347 . 16 1 1 A 36 36 LEU N N 36 119.433 118.048 1.385 1
1 348 . 16 1 1 A 37 37 SER H H 37 8.585 8.130 0.455 1
1 349 . 16 1 1 A 37 37 SER HA H 37 4.632 4.112 0.520 1
1 352 . 16 1 1 A 37 37 SER CA C 37 62.896 61.993 0.903 1
1 353 . 16 1 1 A 37 37 SER CB C 37 63.973 62.852 1.121 1
1 354 . 16 1 1 A 37 37 SER N N 37 115.400 114.453 0.947 1
1 355 . 16 1 1 A 38 38 ARG H H 38 8.180 7.892 0.288 1
1 356 . 16 1 1 A 38 38 ARG HA H 38 4.218 3.959 0.259 1
1 363 . 16 1 1 A 38 38 ARG CA C 38 59.259 59.355 -0.096 1
1 364 . 16 1 1 A 38 38 ARG CB C 38 30.751 29.753 0.998 1
1 365 . 16 1 1 A 38 38 ARG N N 38 121.516 121.982 -0.466 1
1 366 . 16 1 1 A 39 39 ARG H H 39 8.362 7.527 0.835 1
1 367 . 16 1 1 A 39 39 ARG HA H 39 4.373 4.083 0.290 1
1 374 . 16 1 1 A 39 39 ARG CA C 39 58.095 59.134 -1.039 1
1 375 . 16 1 1 A 39 39 ARG CB C 39 30.581 29.819 0.762 1
1 376 . 16 1 1 A 39 39 ARG N N 39 117.803 118.576 -0.773 1
1 377 . 16 1 1 A 40 40 CYS H H 40 8.423 8.380 0.043 1
1 378 . 16 1 1 A 40 40 CYS HA H 40 4.447 4.202 0.245 1
1 381 . 16 1 1 A 40 40 CYS CA C 40 61.514 62.144 -0.630 1
1 382 . 16 1 1 A 40 40 CYS CB C 40 28.091 27.276 0.815 1
1 383 . 16 1 1 A 40 40 CYS N N 40 116.351 118.768 -2.417 1
1 384 . 16 1 1 A 41 41 ARG H H 41 8.095 8.354 -0.259 1
1 385 . 16 1 1 A 41 41 ARG HA H 41 4.204 4.100 0.104 1
1 392 . 16 1 1 A 41 41 ARG CA C 41 58.876 59.634 -0.758 1
1 393 . 16 1 1 A 41 41 ARG CB C 41 30.227 30.014 0.213 1
1 394 . 16 1 1 A 41 41 ARG N N 41 119.841 121.555 -1.714 1
1 395 . 16 1 1 A 42 42 CYS H H 42 8.061 7.970 0.091 1
1 396 . 16 1 1 A 42 42 CYS HA H 42 4.435 4.250 0.185 1
1 399 . 16 1 1 A 42 42 CYS CA C 42 60.508 64.057 -3.549 1
1 400 . 16 1 1 A 42 42 CYS CB C 42 27.409 26.998 0.411 1
1 401 . 16 1 1 A 42 42 CYS N N 42 116.220 118.289 -2.069 1
1 402 . 16 1 1 A 43 43 LYS H H 43 7.936 8.263 -0.327 1
1 403 . 16 1 1 A 43 43 LYS HA H 43 4.244 4.083 0.161 1
1 408 . 16 1 1 A 43 43 LYS CA C 43 57.480 58.767 -1.287 1
1 409 . 16 1 1 A 43 43 LYS CB C 43 32.888 31.904 0.984 1
1 410 . 16 1 1 A 43 43 LYS N N 43 120.337 121.354 -1.017 1
1 411 . 16 1 1 A 44 44 PHE H H 44 7.966 8.519 -0.553 1
1 412 . 16 1 1 A 44 44 PHE HA H 44 4.664 4.095 0.569 1
1 417 . 16 1 1 A 44 44 PHE CA C 44 58.606 60.906 -2.300 1
1 418 . 16 1 1 A 44 44 PHE CB C 44 39.452 39.556 -0.104 1
1 419 . 16 1 1 A 44 44 PHE N N 44 118.202 120.861 -2.659 1
1 420 . 16 1 1 A 45 45 ASN H H 45 8.147 7.820 0.327 1
1 421 . 16 1 1 A 45 45 ASN HA H 45 4.771 4.500 0.271 1
1 426 . 16 1 1 A 45 45 ASN CA C 45 53.951 52.092 1.859 1
1 427 . 16 1 1 A 45 45 ASN CB C 45 39.301 38.850 0.451 1
1 428 . 16 1 1 A 45 45 ASN N N 45 118.296 115.621 2.675 1
1 430 . 16 1 1 A 46 46 GLN H H 46 8.209 8.621 -0.412 1
1 431 . 16 1 1 A 46 46 GLN HA H 46 4.344 4.003 0.341 1
1 436 . 16 1 1 A 46 46 GLN CA C 46 56.832 58.945 -2.113 1
1 437 . 16 1 1 A 46 46 GLN CB C 46 29.314 28.139 1.175 1
1 438 . 16 1 1 A 46 46 GLN N N 46 119.469 125.763 -6.294 1
1 439 . 16 1 1 A 47 47 GLN H H 47 8.221 8.291 -0.070 1
1 440 . 16 1 1 A 47 47 GLN CA C 47 56.832 58.745 -1.913 1
1 441 . 16 1 1 A 47 47 GLN CB C 47 29.314 28.473 0.841 1
1 442 . 16 1 1 A 47 47 GLN N N 47 119.452 116.903 2.549 1
1 443 . 16 1 1 A 48 48 GLN H H 48 8.058 7.659 0.399 1
1 444 . 16 1 1 A 48 48 GLN HA H 48 4.394 4.258 0.136 1
1 449 . 16 1 1 A 48 48 GLN CA C 48 56.600 57.658 -1.058 1
1 450 . 16 1 1 A 48 48 GLN CB C 48 29.578 29.321 0.257 1
1 451 . 16 1 1 A 48 48 GLN N N 48 119.642 117.116 2.526 1
1 452 . 16 1 1 A 49 49 ARG H H 49 8.255 7.670 0.585 1
1 453 . 16 1 1 A 49 49 ARG HA H 49 4.475 4.716 -0.241 1
1 460 . 16 1 1 A 49 49 ARG CA C 49 56.569 55.474 1.095 1
1 461 . 16 1 1 A 49 49 ARG CB C 49 30.919 33.739 -2.820 1
1 462 . 16 1 1 A 49 49 ARG N N 49 121.599 118.327 3.272 1
1 463 . 16 1 1 A 50 50 THR H H 50 8.113 8.471 -0.358 1
1 464 . 16 1 1 A 50 50 THR HA H 50 4.438 4.643 -0.205 1
1 469 . 16 1 1 A 50 50 THR CA C 50 62.130 61.067 1.063 1
1 470 . 16 1 1 A 50 50 THR CB C 50 70.380 69.886 0.494 1
1 471 . 16 1 1 A 50 50 THR N N 50 113.660 119.975 -6.315 1
1 472 . 16 1 1 A 51 51 GLY H H 51 8.296 8.382 -0.086 1
1 473 . 16 1 1 A 51 51 GLY HA2 H 51 4.060 4.256 -0.196 1
1 474 . 16 1 1 A 51 51 GLY HA3 H 51 4.060 4.258 -0.198 1
1 475 . 16 1 1 A 51 51 GLY CA C 51 45.374 46.201 -0.827 1
1 476 . 16 1 1 A 51 51 GLY N N 51 110.876 112.465 -1.589 1
1 477 . 16 1 1 A 52 52 GLU H H 52 8.153 8.570 -0.417 1
1 478 . 16 1 1 A 52 52 GLU HA H 52 4.729 4.783 -0.054 1
1 483 . 16 1 1 A 52 52 GLU CA C 52 54.072 52.686 1.386 1
1 484 . 16 1 1 A 52 52 GLU CB C 52 29.347 30.908 -1.561 1
1 485 . 16 1 1 A 52 52 GLU N N 52 120.834 122.009 -1.175 1
1 486 . 16 1 1 A 53 53 PRO HA H 53 4.495 4.278 0.217 1
1 493 . 16 1 1 A 53 53 PRO CA C 53 63.749 64.204 -0.455 1
1 494 . 16 1 1 A 53 53 PRO CB C 53 32.309 31.906 0.403 1
1 495 . 16 1 1 A 54 54 ASP H H 54 8.402 8.497 -0.095 1
1 496 . 16 1 1 A 54 54 ASP HA H 54 4.677 4.373 0.304 1
1 499 . 16 1 1 A 54 54 ASP CA C 54 54.210 56.886 -2.676 1
1 500 . 16 1 1 A 54 54 ASP CB C 54 40.375 41.023 -0.648 1
1 501 . 16 1 1 A 54 54 ASP N N 54 119.287 117.385 1.902 1
1 502 . 16 1 1 A 55 55 GLU H H 55 8.249 7.326 0.923 1
1 503 . 16 1 1 A 55 55 GLU HA H 55 4.650 4.551 0.099 1
1 508 . 16 1 1 A 55 55 GLU CA C 55 56.397 56.402 -0.005 1
1 509 . 16 1 1 A 55 55 GLU CB C 55 29.461 29.703 -0.242 1
1 510 . 16 1 1 A 55 55 GLU N N 55 120.671 118.646 2.025 1
1 511 . 16 1 1 A 56 56 GLU H H 56 8.257 8.510 -0.253 1
1 512 . 16 1 1 A 56 56 GLU HA H 56 4.396 4.244 0.152 1
1 517 . 16 1 1 A 56 56 GLU CA C 56 56.414 59.074 -2.660 1
1 518 . 16 1 1 A 56 56 GLU CB C 56 29.461 29.880 -0.419 1
1 519 . 16 1 1 A 56 56 GLU N N 56 119.852 125.219 -5.367 1
1 520 . 16 1 1 A 57 57 GLU H H 57 8.311 7.780 0.531 1
1 521 . 16 1 1 A 57 57 GLU HA H 57 4.453 4.057 0.396 1
1 526 . 16 1 1 A 57 57 GLU CA C 57 56.350 58.556 -2.206 1
1 527 . 16 1 1 A 57 57 GLU CB C 57 29.959 29.967 -0.008 1
1 528 . 16 1 1 A 57 57 GLU N N 57 121.046 119.134 1.912 1
1 529 . 16 1 1 A 58 58 GLY H H 58 8.407 8.494 -0.087 1
1 530 . 16 1 1 A 58 58 GLY HA2 H 58 4.190 3.307 0.883 1
1 531 . 16 1 1 A 58 58 GLY HA3 H 58 4.190 3.869 0.321 1
1 532 . 16 1 1 A 58 58 GLY CA C 58 45.841 45.063 0.778 1
1 533 . 16 1 1 A 58 58 GLY N N 58 109.873 110.701 -0.828 1
1 534 . 16 1 1 A 59 59 THR H H 59 8.141 7.006 1.135 1
1 535 . 16 1 1 A 59 59 THR HA H 59 4.348 3.785 0.563 1
1 540 . 16 1 1 A 59 59 THR CA C 59 63.622 64.802 -1.180 1
1 541 . 16 1 1 A 59 59 THR CB C 59 70.393 68.140 2.253 1
1 542 . 16 1 1 A 59 59 THR N N 59 114.486 118.348 -3.862 1
1 543 . 16 1 1 A 60 60 PHE H H 60 8.651 7.966 0.685 1
1 544 . 16 1 1 A 60 60 PHE HA H 60 4.439 3.946 0.493 1
1 549 . 16 1 1 A 60 60 PHE CA C 60 61.359 61.487 -0.128 1
1 550 . 16 1 1 A 60 60 PHE CB C 60 38.960 39.128 -0.168 1
1 551 . 16 1 1 A 60 60 PHE N N 60 123.173 122.020 1.153 1
1 552 . 16 1 1 A 61 61 ARG H H 61 8.247 8.202 0.045 1
1 553 . 16 1 1 A 61 61 ARG HA H 61 3.932 3.916 0.016 1
1 560 . 16 1 1 A 61 61 ARG CA C 61 59.472 60.153 -0.681 1
1 561 . 16 1 1 A 61 61 ARG CB C 61 30.162 29.933 0.229 1
1 562 . 16 1 1 A 61 61 ARG N N 61 118.197 118.826 -0.629 1
1 563 . 16 1 1 A 62 62 SER H H 62 8.098 8.175 -0.077 1
1 564 . 16 1 1 A 62 62 SER HA H 62 4.313 4.168 0.145 1
1 567 . 16 1 1 A 62 62 SER CA C 62 61.112 61.441 -0.329 1
1 568 . 16 1 1 A 62 62 SER CB C 62 63.426 62.290 1.136 1
1 569 . 16 1 1 A 62 62 SER N N 62 113.309 114.823 -1.514 1
1 570 . 16 1 1 A 63 63 SER H H 63 8.050 7.635 0.415 1
1 571 . 16 1 1 A 63 63 SER HA H 63 4.361 4.074 0.287 1
1 574 . 16 1 1 A 63 63 SER CA C 63 61.816 61.932 -0.116 1
1 575 . 16 1 1 A 63 63 SER CB C 63 64.359 62.652 1.707 1
1 576 . 16 1 1 A 63 63 SER N N 63 118.744 115.836 2.908 1
1 577 . 16 1 1 A 64 64 ILE H H 64 7.813 7.561 0.252 1
1 578 . 16 1 1 A 64 64 ILE HA H 64 3.936 3.576 0.360 1
1 588 . 16 1 1 A 64 64 ILE CA C 64 63.557 64.939 -1.382 1
1 589 . 16 1 1 A 64 64 ILE CB C 64 37.482 36.238 1.244 1
1 590 . 16 1 1 A 64 64 ILE N N 64 120.616 121.425 -0.809 1
1 591 . 16 1 1 A 65 65 ARG H H 65 7.863 7.960 -0.097 1
1 592 . 16 1 1 A 65 65 ARG HA H 65 4.207 3.885 0.322 1
1 600 . 16 1 1 A 65 65 ARG CA C 65 58.617 59.726 -1.109 1
1 601 . 16 1 1 A 65 65 ARG CB C 65 30.088 29.747 0.341 1
1 602 . 16 1 1 A 65 65 ARG N N 65 120.278 120.254 0.024 1
1 603 . 16 1 1 A 66 66 ARG H H 66 7.934 7.933 0.001 1
1 604 . 16 1 1 A 66 66 ARG HA H 66 4.251 4.048 0.203 1
1 611 . 16 1 1 A 66 66 ARG CA C 66 58.512 59.021 -0.509 1
1 612 . 16 1 1 A 66 66 ARG CB C 66 30.618 29.835 0.783 1
1 613 . 16 1 1 A 66 66 ARG N N 66 119.070 119.374 -0.304 1
1 614 . 16 1 1 A 67 67 LEU H H 67 8.014 7.970 0.044 1
1 615 . 16 1 1 A 67 67 LEU HA H 67 4.259 4.028 0.231 1
1 625 . 16 1 1 A 67 67 LEU CA C 67 57.012 57.413 -0.401 1
1 626 . 16 1 1 A 67 67 LEU CB C 67 42.398 41.635 0.763 1
1 627 . 16 1 1 A 67 67 LEU N N 67 119.999 122.305 -2.306 1
1 628 . 16 1 1 A 68 68 SER H H 68 8.091 8.407 -0.316 1
1 629 . 16 1 1 A 68 68 SER HA H 68 4.352 4.182 0.170 1
1 632 . 16 1 1 A 68 68 SER CA C 68 60.421 61.221 -0.800 1
1 633 . 16 1 1 A 68 68 SER CB C 68 63.997 63.021 0.976 1
1 634 . 16 1 1 A 68 68 SER N N 68 113.037 114.944 -1.907 1
1 635 . 16 1 1 A 69 69 THR H H 69 7.765 7.452 0.313 1
1 640 . 16 1 1 A 69 69 THR CA C 69 63.075 62.795 0.280 1
1 641 . 16 1 1 A 69 69 THR CB C 69 69.994 70.310 -0.316 1
1 642 . 16 1 1 A 69 69 THR N N 69 113.132 110.956 2.176 1
1 643 . 16 1 1 A 70 70 ARG H H 70 7.915 8.885 -0.970 1
1 644 . 16 1 1 A 70 70 ARG HA H 70 4.402 3.987 0.415 1
1 651 . 16 1 1 A 70 70 ARG CA C 70 57.068 56.951 0.117 1
1 652 . 16 1 1 A 70 70 ARG CB C 70 30.778 28.035 2.743 1
1 653 . 16 1 1 A 70 70 ARG N N 70 121.113 120.716 0.397 1
1 654 . 16 1 1 A 71 71 ARG H H 71 7.891 7.857 0.034 1
1 655 . 16 1 1 A 71 71 ARG HA H 71 4.421 4.559 -0.138 1
1 662 . 16 1 1 A 71 71 ARG CA C 71 56.407 56.962 -0.555 1
1 663 . 16 1 1 A 71 71 ARG CB C 71 31.156 33.207 -2.051 1
1 664 . 16 1 1 A 71 71 ARG N N 71 118.899 118.060 0.839 1
1 8 . 17 1 1 A 2 2 SER H H 2 8.707 8.203 0.504 1
1 9 . 17 1 1 A 2 2 SER HA H 2 4.638 4.547 0.091 1
1 12 . 17 1 1 A 2 2 SER CA C 2 56.699 57.205 -0.506 1
1 13 . 17 1 1 A 2 2 SER CB C 2 63.978 62.779 1.199 1
1 14 . 17 1 1 A 2 2 SER N N 2 118.975 119.608 -0.633 1
1 15 . 17 1 1 A 3 3 PRO HA H 3 4.533 4.411 0.122 1
1 22 . 17 1 1 A 3 3 PRO CA C 3 64.301 64.568 -0.267 1
1 23 . 17 1 1 A 3 3 PRO CB C 3 32.998 32.091 0.907 1
1 24 . 17 1 1 A 4 4 LYS H H 4 8.117 8.445 -0.328 1
1 25 . 17 1 1 A 4 4 LYS HA H 4 4.314 4.111 0.203 1
1 32 . 17 1 1 A 4 4 LYS CA C 4 56.918 57.931 -1.013 1
1 33 . 17 1 1 A 4 4 LYS CB C 4 33.010 32.266 0.744 1
1 34 . 17 1 1 A 4 4 LYS N N 4 118.277 116.878 1.399 1
1 35 . 17 1 1 A 5 5 GLU HA H 5 4.302 3.784 0.518 1
1 40 . 17 1 1 A 5 5 GLU CA C 5 56.505 55.803 0.702 1
1 41 . 17 1 1 A 5 5 GLU CB C 5 38.736 30.056 8.680 1
1 42 . 17 1 1 A 6 6 HIS H H 6 8.075 8.372 -0.297 1
1 43 . 17 1 1 A 6 6 HIS HA H 6 4.352 4.894 -0.542 1
1 47 . 17 1 1 A 6 6 HIS CA C 6 55.000 55.411 -0.411 1
1 48 . 17 1 1 A 6 6 HIS CB C 6 29.504 32.417 -2.913 1
1 49 . 17 1 1 A 6 6 HIS N N 6 117.435 120.795 -3.360 1
1 50 . 17 1 1 A 7 7 ASP H H 7 8.249 9.173 -0.924 1
1 51 . 17 1 1 A 7 7 ASP HA H 7 4.796 4.498 0.298 1
1 54 . 17 1 1 A 7 7 ASP CA C 7 51.877 59.024 -7.147 1
1 55 . 17 1 1 A 7 7 ASP CB C 7 39.384 39.068 0.316 1
1 56 . 17 1 1 A 7 7 ASP N N 7 120.163 121.969 -1.806 1
1 57 . 17 1 1 A 8 8 PRO HA H 8 4.458 4.584 -0.126 1
1 64 . 17 1 1 A 8 8 PRO CA C 8 63.863 65.098 -1.235 1
1 65 . 17 1 1 A 8 8 PRO CB C 8 32.512 31.633 0.879 1
1 66 . 17 1 1 A 9 9 PHE H H 9 7.959 8.006 -0.047 1
1 67 . 17 1 1 A 9 9 PHE HA H 9 4.783 4.229 0.554 1
1 72 . 17 1 1 A 9 9 PHE CA C 9 58.261 61.760 -3.499 1
1 73 . 17 1 1 A 9 9 PHE CB C 9 39.190 39.516 -0.326 1
1 74 . 17 1 1 A 9 9 PHE N N 9 118.640 119.400 -0.760 1
1 75 . 17 1 1 A 10 10 THR H H 10 7.897 8.108 -0.211 1
1 76 . 17 1 1 A 10 10 THR HA H 10 4.440 3.931 0.509 1
1 81 . 17 1 1 A 10 10 THR CA C 10 62.056 66.350 -4.294 1
1 82 . 17 1 1 A 10 10 THR CB C 10 70.112 68.570 1.542 1
1 83 . 17 1 1 A 10 10 THR N N 10 112.714 113.994 -1.280 1
1 84 . 17 1 1 A 11 11 TYR H H 11 7.615 7.916 -0.301 1
1 85 . 17 1 1 A 11 11 TYR HA H 11 4.471 5.198 -0.727 1
1 90 . 17 1 1 A 11 11 TYR CA C 11 58.365 56.996 1.369 1
1 91 . 17 1 1 A 11 11 TYR CB C 11 70.116 41.191 28.925 1
1 92 . 17 1 1 A 11 11 TYR N N 11 122.022 117.192 4.830 1
1 93 . 17 1 1 A 12 12 ASP H H 12 7.954 8.941 -0.987 1
1 94 . 17 1 1 A 12 12 ASP HA H 12 4.800 4.910 -0.110 1
1 97 . 17 1 1 A 12 12 ASP CA C 12 53.013 53.478 -0.465 1
1 98 . 17 1 1 A 12 12 ASP CB C 12 39.384 43.054 -3.670 1
1 99 . 17 1 1 A 12 12 ASP N N 12 121.560 125.514 -3.954 1
1 100 . 17 1 1 A 13 13 TYR H H 13 7.949 8.161 -0.212 1
1 101 . 17 1 1 A 13 13 TYR HA H 13 4.435 4.679 -0.244 1
1 106 . 17 1 1 A 13 13 TYR CA C 13 59.555 58.639 0.916 1
1 107 . 17 1 1 A 13 13 TYR CB C 13 39.589 37.851 1.738 1
1 108 . 17 1 1 A 13 13 TYR N N 13 121.914 119.609 2.305 1
1 109 . 17 1 1 A 14 14 GLN H H 14 8.173 8.041 0.132 1
1 110 . 17 1 1 A 14 14 GLN HA H 14 4.222 4.018 0.204 1
1 115 . 17 1 1 A 14 14 GLN CA C 14 57.621 59.136 -1.515 1
1 116 . 17 1 1 A 14 14 GLN CB C 14 28.821 28.383 0.438 1
1 117 . 17 1 1 A 14 14 GLN N N 14 119.118 121.573 -2.455 1
1 118 . 17 1 1 A 15 15 SER H H 15 7.888 8.340 -0.452 1
1 119 . 17 1 1 A 15 15 SER HA H 15 4.485 4.321 0.164 1
1 122 . 17 1 1 A 15 15 SER CA C 15 59.326 61.389 -2.063 1
1 123 . 17 1 1 A 15 15 SER CB C 15 64.123 62.874 1.249 1
1 124 . 17 1 1 A 15 15 SER N N 15 114.275 114.866 -0.591 1
1 125 . 17 1 1 A 16 16 LEU H H 16 7.791 8.113 -0.322 1
1 126 . 17 1 1 A 16 16 LEU HA H 16 4.430 4.283 0.147 1
1 136 . 17 1 1 A 16 16 LEU CA C 16 55.849 56.101 -0.252 1
1 137 . 17 1 1 A 16 16 LEU CB C 16 43.036 42.176 0.860 1
1 138 . 17 1 1 A 16 16 LEU N N 16 122.606 123.939 -1.333 1
1 139 . 17 1 1 A 17 17 GLN H H 17 8.281 7.923 0.358 1
1 140 . 17 1 1 A 17 17 GLN HA H 17 4.426 4.099 0.327 1
1 145 . 17 1 1 A 17 17 GLN CA C 17 56.500 58.498 -1.998 1
1 146 . 17 1 1 A 17 17 GLN CB C 17 29.338 28.555 0.783 1
1 147 . 17 1 1 A 17 17 GLN N N 17 120.232 118.679 1.553 1
1 148 . 17 1 1 A 18 18 ILE H H 18 7.807 7.882 -0.075 1
1 149 . 17 1 1 A 18 18 ILE HA H 18 4.238 4.267 -0.029 1
1 159 . 17 1 1 A 18 18 ILE CA C 18 61.932 61.631 0.301 1
1 160 . 17 1 1 A 18 18 ILE CB C 18 38.997 38.429 0.568 1
1 161 . 17 1 1 A 18 18 ILE N N 18 118.727 118.709 0.018 1
1 162 . 17 1 1 A 19 19 GLY H H 19 8.106 8.272 -0.166 1
1 163 . 17 1 1 A 19 19 GLY HA2 H 19 4.054 3.734 0.320 1
1 164 . 17 1 1 A 19 19 GLY HA3 H 19 4.054 3.740 0.314 1
1 165 . 17 1 1 A 19 19 GLY CA C 19 46.338 47.373 -1.035 1
1 166 . 17 1 1 A 19 19 GLY N N 19 109.552 110.358 -0.806 1
1 167 . 17 1 1 A 20 20 GLY H H 20 8.305 8.541 -0.236 1
1 168 . 17 1 1 A 20 20 GLY HA2 H 20 3.877 3.872 0.005 1
1 169 . 17 1 1 A 20 20 GLY HA3 H 20 3.877 3.873 0.004 1
1 170 . 17 1 1 A 20 20 GLY CA C 20 47.746 47.018 0.728 1
1 171 . 17 1 1 A 20 20 GLY N N 20 107.332 108.207 -0.875 1
1 172 . 17 1 1 A 21 21 LEU H H 21 8.046 7.989 0.057 1
1 173 . 17 1 1 A 21 21 LEU HA H 21 4.172 4.019 0.153 1
1 183 . 17 1 1 A 21 21 LEU CA C 21 58.140 57.675 0.465 1
1 184 . 17 1 1 A 21 21 LEU CB C 21 41.812 41.710 0.102 1
1 185 . 17 1 1 A 21 21 LEU N N 21 119.906 122.936 -3.030 1
1 186 . 17 1 1 A 22 22 VAL H H 22 7.716 8.184 -0.468 1
1 187 . 17 1 1 A 22 22 VAL HA H 22 3.691 3.474 0.217 1
1 195 . 17 1 1 A 22 22 VAL CA C 22 66.872 66.873 -0.001 1
1 196 . 17 1 1 A 22 22 VAL CB C 22 67.290 31.709 35.581 1
1 197 . 17 1 1 A 22 22 VAL N N 22 117.489 117.836 -0.347 1
1 198 . 17 1 1 A 23 23 ILE H H 23 7.707 7.908 -0.201 1
1 199 . 17 1 1 A 23 23 ILE HA H 23 3.679 3.856 -0.177 1
1 208 . 17 1 1 A 23 23 ILE CA C 23 65.219 64.275 0.944 1
1 209 . 17 1 1 A 23 23 ILE CB C 23 39.538 37.688 1.850 1
1 210 . 17 1 1 A 23 23 ILE N N 23 117.900 117.368 0.532 1
1 211 . 17 1 1 A 24 24 ALA H H 24 8.248 8.381 -0.133 1
1 215 . 17 1 1 A 24 24 ALA CA C 24 55.723 55.249 0.474 1
1 216 . 17 1 1 A 24 24 ALA CB C 24 18.223 18.495 -0.272 1
1 217 . 17 1 1 A 24 24 ALA N N 24 120.166 124.579 -4.413 1
1 218 . 17 1 1 A 25 25 GLY H H 25 8.482 8.155 0.327 1
1 219 . 17 1 1 A 25 25 GLY HA2 H 25 3.781 3.816 -0.035 1
1 220 . 17 1 1 A 25 25 GLY HA3 H 25 3.692 3.827 -0.135 1
1 221 . 17 1 1 A 25 25 GLY CA C 25 47.860 47.402 0.458 1
1 222 . 17 1 1 A 25 25 GLY N N 25 103.943 106.701 -2.758 1
1 223 . 17 1 1 A 26 26 ILE H H 26 8.401 7.848 0.553 1
1 224 . 17 1 1 A 26 26 ILE HA H 26 3.715 3.841 -0.126 1
1 229 . 17 1 1 A 26 26 ILE CA C 26 65.719 64.701 1.018 1
1 230 . 17 1 1 A 26 26 ILE CB C 26 38.043 37.529 0.514 1
1 231 . 17 1 1 A 26 26 ILE N N 26 120.944 122.634 -1.690 1
1 232 . 17 1 1 A 27 27 LEU H H 27 8.303 8.117 0.186 1
1 233 . 17 1 1 A 27 27 LEU HA H 27 4.011 3.998 0.013 1
1 243 . 17 1 1 A 27 27 LEU CA C 27 58.586 58.317 0.269 1
1 244 . 17 1 1 A 27 27 LEU CB C 27 41.728 41.837 -0.109 1
1 245 . 17 1 1 A 27 27 LEU N N 27 118.806 121.207 -2.401 1
1 246 . 17 1 1 A 28 28 PHE H H 28 8.568 7.895 0.673 1
1 247 . 17 1 1 A 28 28 PHE HA H 28 4.238 4.226 0.012 1
1 252 . 17 1 1 A 28 28 PHE CA C 28 61.596 61.490 0.106 1
1 253 . 17 1 1 A 28 28 PHE CB C 28 39.690 38.892 0.798 1
1 254 . 17 1 1 A 28 28 PHE N N 28 118.499 117.258 1.241 1
1 255 . 17 1 1 A 29 29 ILE H H 29 8.247 8.750 -0.503 1
1 256 . 17 1 1 A 29 29 ILE HA H 29 3.607 3.657 -0.050 1
1 263 . 17 1 1 A 29 29 ILE CA C 29 65.048 65.455 -0.407 1
1 264 . 17 1 1 A 29 29 ILE CB C 29 37.293 37.869 -0.576 1
1 265 . 17 1 1 A 29 29 ILE N N 29 117.892 120.384 -2.492 1
1 266 . 17 1 1 A 30 30 LEU H H 30 8.624 8.495 0.129 1
1 267 . 17 1 1 A 30 30 LEU HA H 30 4.012 4.030 -0.018 1
1 277 . 17 1 1 A 30 30 LEU CA C 30 58.624 58.014 0.610 1
1 278 . 17 1 1 A 30 30 LEU CB C 30 42.011 41.676 0.335 1
1 279 . 17 1 1 A 30 30 LEU N N 30 119.146 120.269 -1.123 1
1 280 . 17 1 1 A 31 31 GLY H H 31 8.754 8.370 0.384 1
1 281 . 17 1 1 A 31 31 GLY HA2 H 31 3.643 3.668 -0.025 1
1 282 . 17 1 1 A 31 31 GLY HA3 H 31 3.643 3.692 -0.049 1
1 283 . 17 1 1 A 31 31 GLY CA C 31 48.068 47.419 0.649 1
1 284 . 17 1 1 A 31 31 GLY N N 31 106.000 106.463 -0.463 1
1 285 . 17 1 1 A 32 32 ILE H H 32 8.303 8.457 -0.154 1
1 286 . 17 1 1 A 32 32 ILE HA H 32 3.622 3.809 -0.187 1
1 296 . 17 1 1 A 32 32 ILE CA C 32 65.126 64.588 0.538 1
1 297 . 17 1 1 A 32 32 ILE CB C 32 39.126 38.129 0.997 1
1 298 . 17 1 1 A 32 32 ILE N N 32 120.840 122.488 -1.648 1
1 299 . 17 1 1 A 33 33 LEU H H 33 8.388 8.002 0.386 1
1 300 . 17 1 1 A 33 33 LEU HA H 33 4.042 4.029 0.013 1
1 310 . 17 1 1 A 33 33 LEU CA C 33 58.672 58.106 0.566 1
1 311 . 17 1 1 A 33 33 LEU CB C 33 40.359 41.534 -1.175 1
1 312 . 17 1 1 A 33 33 LEU N N 33 119.523 119.292 0.231 1
1 313 . 17 1 1 A 34 34 ILE H H 34 8.703 8.685 0.018 1
1 314 . 17 1 1 A 34 34 ILE HA H 34 3.685 3.537 0.148 1
1 319 . 17 1 1 A 34 34 ILE CA C 34 66.120 65.374 0.746 1
1 320 . 17 1 1 A 34 34 ILE CB C 34 37.627 37.683 -0.056 1
1 321 . 17 1 1 A 34 34 ILE N N 34 120.906 119.445 1.461 1
1 322 . 17 1 1 A 35 35 VAL H H 35 8.359 8.005 0.354 1
1 323 . 17 1 1 A 35 35 VAL HA H 35 3.690 3.584 0.106 1
1 331 . 17 1 1 A 35 35 VAL CA C 35 67.546 66.753 0.793 1
1 332 . 17 1 1 A 35 35 VAL CB C 35 31.619 31.790 -0.171 1
1 333 . 17 1 1 A 35 35 VAL N N 35 120.794 119.176 1.618 1
1 334 . 17 1 1 A 36 36 LEU H H 36 9.002 8.247 0.755 1
1 335 . 17 1 1 A 36 36 LEU HA H 36 4.095 4.040 0.055 1
1 345 . 17 1 1 A 36 36 LEU CA C 36 58.589 57.858 0.731 1
1 346 . 17 1 1 A 36 36 LEU CB C 36 42.017 40.863 1.154 1
1 347 . 17 1 1 A 36 36 LEU N N 36 119.433 117.573 1.860 1
1 348 . 17 1 1 A 37 37 SER H H 37 8.585 8.190 0.395 1
1 349 . 17 1 1 A 37 37 SER HA H 37 4.632 4.087 0.545 1
1 352 . 17 1 1 A 37 37 SER CA C 37 62.896 62.033 0.863 1
1 353 . 17 1 1 A 37 37 SER CB C 37 63.973 62.776 1.197 1
1 354 . 17 1 1 A 37 37 SER N N 37 115.400 114.482 0.918 1
1 355 . 17 1 1 A 38 38 ARG H H 38 8.180 7.849 0.331 1
1 356 . 17 1 1 A 38 38 ARG HA H 38 4.218 4.123 0.095 1
1 363 . 17 1 1 A 38 38 ARG CA C 38 59.259 59.246 0.013 1
1 364 . 17 1 1 A 38 38 ARG CB C 38 30.751 29.944 0.807 1
1 365 . 17 1 1 A 38 38 ARG N N 38 121.516 122.266 -0.750 1
1 366 . 17 1 1 A 39 39 ARG H H 39 8.362 7.703 0.659 1
1 367 . 17 1 1 A 39 39 ARG HA H 39 4.373 4.020 0.353 1
1 374 . 17 1 1 A 39 39 ARG CA C 39 58.095 59.187 -1.092 1
1 375 . 17 1 1 A 39 39 ARG CB C 39 30.581 29.804 0.777 1
1 376 . 17 1 1 A 39 39 ARG N N 39 117.803 118.741 -0.938 1
1 377 . 17 1 1 A 40 40 CYS H H 40 8.423 8.197 0.226 1
1 378 . 17 1 1 A 40 40 CYS HA H 40 4.447 4.144 0.303 1
1 381 . 17 1 1 A 40 40 CYS CA C 40 61.514 63.426 -1.912 1
1 382 . 17 1 1 A 40 40 CYS CB C 40 28.091 26.381 1.710 1
1 383 . 17 1 1 A 40 40 CYS N N 40 116.351 119.027 -2.676 1
1 384 . 17 1 1 A 41 41 ARG H H 41 8.095 8.318 -0.223 1
1 385 . 17 1 1 A 41 41 ARG HA H 41 4.204 4.033 0.171 1
1 392 . 17 1 1 A 41 41 ARG CA C 41 58.876 59.504 -0.628 1
1 393 . 17 1 1 A 41 41 ARG CB C 41 30.227 30.173 0.054 1
1 394 . 17 1 1 A 41 41 ARG N N 41 119.841 120.437 -0.596 1
1 395 . 17 1 1 A 42 42 CYS H H 42 8.061 7.912 0.149 1
1 396 . 17 1 1 A 42 42 CYS HA H 42 4.435 4.297 0.138 1
1 399 . 17 1 1 A 42 42 CYS CA C 42 60.508 63.705 -3.197 1
1 400 . 17 1 1 A 42 42 CYS CB C 42 27.409 27.000 0.409 1
1 401 . 17 1 1 A 42 42 CYS N N 42 116.220 117.849 -1.629 1
1 402 . 17 1 1 A 43 43 LYS H H 43 7.936 8.277 -0.341 1
1 403 . 17 1 1 A 43 43 LYS HA H 43 4.244 4.190 0.054 1
1 408 . 17 1 1 A 43 43 LYS CA C 43 57.480 58.192 -0.712 1
1 409 . 17 1 1 A 43 43 LYS CB C 43 32.888 32.281 0.607 1
1 410 . 17 1 1 A 43 43 LYS N N 43 120.337 120.110 0.227 1
1 411 . 17 1 1 A 44 44 PHE H H 44 7.966 9.022 -1.056 1
1 412 . 17 1 1 A 44 44 PHE HA H 44 4.664 4.197 0.467 1
1 417 . 17 1 1 A 44 44 PHE CA C 44 58.606 61.049 -2.443 1
1 418 . 17 1 1 A 44 44 PHE CB C 44 39.452 39.509 -0.057 1
1 419 . 17 1 1 A 44 44 PHE N N 44 118.202 122.151 -3.949 1
1 420 . 17 1 1 A 45 45 ASN H H 45 8.147 7.710 0.437 1
1 421 . 17 1 1 A 45 45 ASN HA H 45 4.771 4.788 -0.017 1
1 426 . 17 1 1 A 45 45 ASN CA C 45 53.951 51.021 2.930 1
1 427 . 17 1 1 A 45 45 ASN CB C 45 39.301 40.002 -0.701 1
1 428 . 17 1 1 A 45 45 ASN N N 45 118.296 113.711 4.585 1
1 430 . 17 1 1 A 46 46 GLN H H 46 8.209 8.778 -0.569 1
1 431 . 17 1 1 A 46 46 GLN HA H 46 4.344 3.994 0.350 1
1 436 . 17 1 1 A 46 46 GLN CA C 46 56.832 58.579 -1.747 1
1 437 . 17 1 1 A 46 46 GLN CB C 46 29.314 28.264 1.050 1
1 438 . 17 1 1 A 46 46 GLN N N 46 119.469 119.303 0.166 1
1 439 . 17 1 1 A 47 47 GLN H H 47 8.221 8.114 0.107 1
1 440 . 17 1 1 A 47 47 GLN CA C 47 56.832 58.060 -1.228 1
1 441 . 17 1 1 A 47 47 GLN CB C 47 29.314 28.390 0.924 1
1 442 . 17 1 1 A 47 47 GLN N N 47 119.452 117.999 1.453 1
1 443 . 17 1 1 A 48 48 GLN H H 48 8.058 8.334 -0.276 1
1 444 . 17 1 1 A 48 48 GLN HA H 48 4.394 4.161 0.233 1
1 449 . 17 1 1 A 48 48 GLN CA C 48 56.600 58.212 -1.612 1
1 450 . 17 1 1 A 48 48 GLN CB C 48 29.578 28.180 1.398 1
1 451 . 17 1 1 A 48 48 GLN N N 48 119.642 117.229 2.413 1
1 452 . 17 1 1 A 49 49 ARG H H 49 8.255 7.739 0.516 1
1 453 . 17 1 1 A 49 49 ARG HA H 49 4.475 4.908 -0.433 1
1 460 . 17 1 1 A 49 49 ARG CA C 49 56.569 54.550 2.019 1
1 461 . 17 1 1 A 49 49 ARG CB C 49 30.919 33.657 -2.738 1
1 462 . 17 1 1 A 49 49 ARG N N 49 121.599 119.588 2.011 1
1 463 . 17 1 1 A 50 50 THR H H 50 8.113 8.666 -0.553 1
1 464 . 17 1 1 A 50 50 THR HA H 50 4.438 4.477 -0.039 1
1 469 . 17 1 1 A 50 50 THR CA C 50 62.130 61.968 0.162 1
1 470 . 17 1 1 A 50 50 THR CB C 50 70.380 69.524 0.856 1
1 471 . 17 1 1 A 50 50 THR N N 50 113.660 116.168 -2.508 1
1 472 . 17 1 1 A 51 51 GLY H H 51 8.296 8.201 0.095 1
1 473 . 17 1 1 A 51 51 GLY HA2 H 51 4.060 4.066 -0.006 1
1 474 . 17 1 1 A 51 51 GLY HA3 H 51 4.060 4.067 -0.007 1
1 475 . 17 1 1 A 51 51 GLY CA C 51 45.374 46.496 -1.122 1
1 476 . 17 1 1 A 51 51 GLY N N 51 110.876 109.259 1.617 1
1 477 . 17 1 1 A 52 52 GLU H H 52 8.153 8.617 -0.464 1
1 478 . 17 1 1 A 52 52 GLU HA H 52 4.729 4.541 0.188 1
1 483 . 17 1 1 A 52 52 GLU CA C 52 54.072 54.350 -0.278 1
1 484 . 17 1 1 A 52 52 GLU CB C 52 29.347 29.892 -0.545 1
1 485 . 17 1 1 A 52 52 GLU N N 52 120.834 121.701 -0.867 1
1 486 . 17 1 1 A 53 53 PRO HA H 53 4.495 4.526 -0.031 1
1 493 . 17 1 1 A 53 53 PRO CA C 53 63.749 62.856 0.893 1
1 494 . 17 1 1 A 53 53 PRO CB C 53 32.309 32.420 -0.111 1
1 495 . 17 1 1 A 54 54 ASP H H 54 8.402 8.467 -0.065 1
1 496 . 17 1 1 A 54 54 ASP HA H 54 4.677 4.699 -0.022 1
1 499 . 17 1 1 A 54 54 ASP CA C 54 54.210 54.813 -0.603 1
1 500 . 17 1 1 A 54 54 ASP CB C 54 40.375 41.434 -1.059 1
1 501 . 17 1 1 A 54 54 ASP N N 54 119.287 121.430 -2.143 1
1 502 . 17 1 1 A 55 55 GLU H H 55 8.249 9.043 -0.794 1
1 503 . 17 1 1 A 55 55 GLU HA H 55 4.650 4.471 0.179 1
1 508 . 17 1 1 A 55 55 GLU CA C 55 56.397 57.951 -1.554 1
1 509 . 17 1 1 A 55 55 GLU CB C 55 29.461 31.142 -1.681 1
1 510 . 17 1 1 A 55 55 GLU N N 55 120.671 125.098 -4.427 1
1 511 . 17 1 1 A 56 56 GLU H H 56 8.257 8.194 0.063 1
1 512 . 17 1 1 A 56 56 GLU HA H 56 4.396 4.138 0.258 1
1 517 . 17 1 1 A 56 56 GLU CA C 56 56.414 58.879 -2.465 1
1 518 . 17 1 1 A 56 56 GLU CB C 56 29.461 29.684 -0.223 1
1 519 . 17 1 1 A 56 56 GLU N N 56 119.852 119.026 0.826 1
1 520 . 17 1 1 A 57 57 GLU H H 57 8.311 8.320 -0.009 1
1 521 . 17 1 1 A 57 57 GLU HA H 57 4.453 4.056 0.397 1
1 526 . 17 1 1 A 57 57 GLU CA C 57 56.350 57.321 -0.971 1
1 527 . 17 1 1 A 57 57 GLU CB C 57 29.959 28.785 1.174 1
1 528 . 17 1 1 A 57 57 GLU N N 57 121.046 119.409 1.637 1
1 529 . 17 1 1 A 58 58 GLY H H 58 8.407 8.291 0.116 1
1 530 . 17 1 1 A 58 58 GLY HA2 H 58 4.190 4.125 0.065 1
1 531 . 17 1 1 A 58 58 GLY HA3 H 58 4.190 4.148 0.042 1
1 532 . 17 1 1 A 58 58 GLY CA C 58 45.841 45.549 0.292 1
1 533 . 17 1 1 A 58 58 GLY N N 58 109.873 113.589 -3.716 1
1 534 . 17 1 1 A 59 59 THR H H 59 8.141 8.313 -0.172 1
1 535 . 17 1 1 A 59 59 THR HA H 59 4.348 3.831 0.517 1
1 540 . 17 1 1 A 59 59 THR CA C 59 63.622 60.427 3.195 1
1 541 . 17 1 1 A 59 59 THR CB C 59 70.393 70.412 -0.019 1
1 542 . 17 1 1 A 59 59 THR N N 59 114.486 114.882 -0.396 1
1 543 . 17 1 1 A 60 60 PHE H H 60 8.651 8.530 0.121 1
1 544 . 17 1 1 A 60 60 PHE HA H 60 4.439 4.066 0.373 1
1 549 . 17 1 1 A 60 60 PHE CA C 60 61.359 60.698 0.661 1
1 550 . 17 1 1 A 60 60 PHE CB C 60 38.960 38.118 0.842 1
1 551 . 17 1 1 A 60 60 PHE N N 60 123.173 120.877 2.296 1
1 552 . 17 1 1 A 61 61 ARG H H 61 8.247 7.843 0.404 1
1 553 . 17 1 1 A 61 61 ARG HA H 61 3.932 4.092 -0.160 1
1 560 . 17 1 1 A 61 61 ARG CA C 61 59.472 58.732 0.740 1
1 561 . 17 1 1 A 61 61 ARG CB C 61 30.162 29.933 0.229 1
1 562 . 17 1 1 A 61 61 ARG N N 61 118.197 118.393 -0.196 1
1 563 . 17 1 1 A 62 62 SER H H 62 8.098 7.705 0.393 1
1 564 . 17 1 1 A 62 62 SER HA H 62 4.313 4.146 0.167 1
1 567 . 17 1 1 A 62 62 SER CA C 62 61.112 61.273 -0.161 1
1 568 . 17 1 1 A 62 62 SER CB C 62 63.426 63.050 0.376 1
1 569 . 17 1 1 A 62 62 SER N N 62 113.309 115.514 -2.205 1
1 570 . 17 1 1 A 63 63 SER H H 63 8.050 8.152 -0.102 1
1 571 . 17 1 1 A 63 63 SER HA H 63 4.361 4.165 0.196 1
1 574 . 17 1 1 A 63 63 SER CA C 63 61.816 61.603 0.213 1
1 575 . 17 1 1 A 63 63 SER CB C 63 64.359 62.546 1.813 1
1 576 . 17 1 1 A 63 63 SER N N 63 118.744 116.022 2.722 1
1 577 . 17 1 1 A 64 64 ILE H H 64 7.813 7.490 0.323 1
1 578 . 17 1 1 A 64 64 ILE HA H 64 3.936 3.773 0.163 1
1 588 . 17 1 1 A 64 64 ILE CA C 64 63.557 64.552 -0.995 1
1 589 . 17 1 1 A 64 64 ILE CB C 64 37.482 37.237 0.245 1
1 590 . 17 1 1 A 64 64 ILE N N 64 120.616 118.897 1.719 1
1 591 . 17 1 1 A 65 65 ARG H H 65 7.863 7.860 0.003 1
1 592 . 17 1 1 A 65 65 ARG HA H 65 4.207 3.887 0.320 1
1 600 . 17 1 1 A 65 65 ARG CA C 65 58.617 59.191 -0.574 1
1 601 . 17 1 1 A 65 65 ARG CB C 65 30.088 29.820 0.268 1
1 602 . 17 1 1 A 65 65 ARG N N 65 120.278 121.592 -1.314 1
1 603 . 17 1 1 A 66 66 ARG H H 66 7.934 7.717 0.217 1
1 604 . 17 1 1 A 66 66 ARG HA H 66 4.251 4.087 0.164 1
1 611 . 17 1 1 A 66 66 ARG CA C 66 58.512 59.064 -0.552 1
1 612 . 17 1 1 A 66 66 ARG CB C 66 30.618 29.935 0.683 1
1 613 . 17 1 1 A 66 66 ARG N N 66 119.070 118.492 0.578 1
1 614 . 17 1 1 A 67 67 LEU H H 67 8.014 8.180 -0.166 1
1 615 . 17 1 1 A 67 67 LEU HA H 67 4.259 4.075 0.184 1
1 625 . 17 1 1 A 67 67 LEU CA C 67 57.012 57.410 -0.398 1
1 626 . 17 1 1 A 67 67 LEU CB C 67 42.398 41.570 0.828 1
1 627 . 17 1 1 A 67 67 LEU N N 67 119.999 122.152 -2.153 1
1 628 . 17 1 1 A 68 68 SER H H 68 8.091 8.186 -0.095 1
1 629 . 17 1 1 A 68 68 SER HA H 68 4.352 4.160 0.192 1
1 632 . 17 1 1 A 68 68 SER CA C 68 60.421 62.600 -2.179 1
1 633 . 17 1 1 A 68 68 SER CB C 68 63.997 63.286 0.711 1
1 634 . 17 1 1 A 68 68 SER N N 68 113.037 116.328 -3.291 1
1 635 . 17 1 1 A 69 69 THR H H 69 7.765 7.552 0.213 1
1 640 . 17 1 1 A 69 69 THR CA C 69 63.075 62.694 0.381 1
1 641 . 17 1 1 A 69 69 THR CB C 69 69.994 70.867 -0.873 1
1 642 . 17 1 1 A 69 69 THR N N 69 113.132 110.033 3.099 1
1 643 . 17 1 1 A 70 70 ARG H H 70 7.915 8.863 -0.948 1
1 644 . 17 1 1 A 70 70 ARG HA H 70 4.402 3.840 0.562 1
1 651 . 17 1 1 A 70 70 ARG CA C 70 57.068 58.581 -1.513 1
1 652 . 17 1 1 A 70 70 ARG CB C 70 30.778 28.783 1.995 1
1 653 . 17 1 1 A 70 70 ARG N N 70 121.113 116.617 4.496 1
1 654 . 17 1 1 A 71 71 ARG H H 71 7.891 7.815 0.076 1
1 655 . 17 1 1 A 71 71 ARG HA H 71 4.421 4.790 -0.369 1
1 662 . 17 1 1 A 71 71 ARG CA C 71 56.407 54.466 1.941 1
1 663 . 17 1 1 A 71 71 ARG CB C 71 31.156 33.565 -2.409 1
1 664 . 17 1 1 A 71 71 ARG N N 71 118.899 114.376 4.523 1
1 8 . 18 1 1 A 2 2 SER H H 2 8.707 8.427 0.280 1
1 9 . 18 1 1 A 2 2 SER HA H 2 4.638 4.857 -0.219 1
1 12 . 18 1 1 A 2 2 SER CA C 2 56.699 56.009 0.690 1
1 13 . 18 1 1 A 2 2 SER CB C 2 63.978 63.312 0.666 1
1 14 . 18 1 1 A 2 2 SER N N 2 118.975 117.956 1.019 1
1 15 . 18 1 1 A 3 3 PRO HA H 3 4.533 4.425 0.108 1
1 22 . 18 1 1 A 3 3 PRO CA C 3 64.301 64.173 0.128 1
1 23 . 18 1 1 A 3 3 PRO CB C 3 32.998 31.775 1.223 1
1 24 . 18 1 1 A 4 4 LYS H H 4 8.117 8.515 -0.398 1
1 25 . 18 1 1 A 4 4 LYS HA H 4 4.314 4.146 0.168 1
1 32 . 18 1 1 A 4 4 LYS CA C 4 56.918 57.808 -0.890 1
1 33 . 18 1 1 A 4 4 LYS CB C 4 33.010 32.345 0.665 1
1 34 . 18 1 1 A 4 4 LYS N N 4 118.277 117.032 1.245 1
1 35 . 18 1 1 A 5 5 GLU HA H 5 4.302 4.755 -0.453 1
1 40 . 18 1 1 A 5 5 GLU CA C 5 56.505 54.977 1.528 1
1 41 . 18 1 1 A 5 5 GLU CB C 5 38.736 31.064 7.672 1
1 42 . 18 1 1 A 6 6 HIS H H 6 8.075 8.877 -0.802 1
1 43 . 18 1 1 A 6 6 HIS HA H 6 4.352 5.265 -0.913 1
1 47 . 18 1 1 A 6 6 HIS CA C 6 55.000 54.283 0.717 1
1 48 . 18 1 1 A 6 6 HIS CB C 6 29.504 32.856 -3.352 1
1 49 . 18 1 1 A 6 6 HIS N N 6 117.435 122.735 -5.300 1
1 50 . 18 1 1 A 7 7 ASP H H 7 8.249 8.589 -0.340 1
1 51 . 18 1 1 A 7 7 ASP HA H 7 4.796 4.936 -0.140 1
1 54 . 18 1 1 A 7 7 ASP CA C 7 51.877 51.899 -0.022 1
1 55 . 18 1 1 A 7 7 ASP CB C 7 39.384 41.062 -1.678 1
1 56 . 18 1 1 A 7 7 ASP N N 7 120.163 126.454 -6.291 1
1 57 . 18 1 1 A 8 8 PRO HA H 8 4.458 4.531 -0.073 1
1 64 . 18 1 1 A 8 8 PRO CA C 8 63.863 65.209 -1.346 1
1 65 . 18 1 1 A 8 8 PRO CB C 8 32.512 32.098 0.414 1
1 66 . 18 1 1 A 9 9 PHE H H 9 7.959 7.816 0.143 1
1 67 . 18 1 1 A 9 9 PHE HA H 9 4.783 4.247 0.536 1
1 72 . 18 1 1 A 9 9 PHE CA C 9 58.261 61.838 -3.577 1
1 73 . 18 1 1 A 9 9 PHE CB C 9 39.190 39.649 -0.459 1
1 74 . 18 1 1 A 9 9 PHE N N 9 118.640 118.833 -0.193 1
1 75 . 18 1 1 A 10 10 THR H H 10 7.897 7.978 -0.081 1
1 76 . 18 1 1 A 10 10 THR HA H 10 4.440 4.070 0.370 1
1 81 . 18 1 1 A 10 10 THR CA C 10 62.056 65.960 -3.904 1
1 82 . 18 1 1 A 10 10 THR CB C 10 70.112 68.962 1.150 1
1 83 . 18 1 1 A 10 10 THR N N 10 112.714 112.862 -0.148 1
1 84 . 18 1 1 A 11 11 TYR H H 11 7.615 7.315 0.300 1
1 85 . 18 1 1 A 11 11 TYR HA H 11 4.471 4.824 -0.353 1
1 90 . 18 1 1 A 11 11 TYR CA C 11 58.365 57.170 1.195 1
1 91 . 18 1 1 A 11 11 TYR CB C 11 70.116 41.906 28.210 1
1 92 . 18 1 1 A 11 11 TYR N N 11 122.022 118.795 3.227 1
1 93 . 18 1 1 A 12 12 ASP H H 12 7.954 8.372 -0.418 1
1 94 . 18 1 1 A 12 12 ASP HA H 12 4.800 4.508 0.292 1
1 97 . 18 1 1 A 12 12 ASP CA C 12 53.013 54.562 -1.549 1
1 98 . 18 1 1 A 12 12 ASP CB C 12 39.384 43.179 -3.795 1
1 99 . 18 1 1 A 12 12 ASP N N 12 121.560 126.005 -4.445 1
1 100 . 18 1 1 A 13 13 TYR H H 13 7.949 8.378 -0.429 1
1 101 . 18 1 1 A 13 13 TYR HA H 13 4.435 4.580 -0.145 1
1 106 . 18 1 1 A 13 13 TYR CA C 13 59.555 58.226 1.329 1
1 107 . 18 1 1 A 13 13 TYR CB C 13 39.589 37.419 2.170 1
1 108 . 18 1 1 A 13 13 TYR N N 13 121.914 119.249 2.665 1
1 109 . 18 1 1 A 14 14 GLN H H 14 8.173 7.772 0.401 1
1 110 . 18 1 1 A 14 14 GLN HA H 14 4.222 3.815 0.407 1
1 115 . 18 1 1 A 14 14 GLN CA C 14 57.621 58.985 -1.364 1
1 116 . 18 1 1 A 14 14 GLN CB C 14 28.821 28.145 0.676 1
1 117 . 18 1 1 A 14 14 GLN N N 14 119.118 121.358 -2.240 1
1 118 . 18 1 1 A 15 15 SER H H 15 7.888 8.250 -0.362 1
1 119 . 18 1 1 A 15 15 SER HA H 15 4.485 4.285 0.200 1
1 122 . 18 1 1 A 15 15 SER CA C 15 59.326 61.346 -2.020 1
1 123 . 18 1 1 A 15 15 SER CB C 15 64.123 62.845 1.278 1
1 124 . 18 1 1 A 15 15 SER N N 15 114.275 114.795 -0.520 1
1 125 . 18 1 1 A 16 16 LEU H H 16 7.791 8.201 -0.410 1
1 126 . 18 1 1 A 16 16 LEU HA H 16 4.430 4.138 0.292 1
1 136 . 18 1 1 A 16 16 LEU CA C 16 55.849 56.803 -0.954 1
1 137 . 18 1 1 A 16 16 LEU CB C 16 43.036 42.094 0.942 1
1 138 . 18 1 1 A 16 16 LEU N N 16 122.606 123.985 -1.379 1
1 139 . 18 1 1 A 17 17 GLN H H 17 8.281 7.883 0.398 1
1 140 . 18 1 1 A 17 17 GLN HA H 17 4.426 4.055 0.371 1
1 145 . 18 1 1 A 17 17 GLN CA C 17 56.500 58.564 -2.064 1
1 146 . 18 1 1 A 17 17 GLN CB C 17 29.338 28.540 0.798 1
1 147 . 18 1 1 A 17 17 GLN N N 17 120.232 117.885 2.347 1
1 148 . 18 1 1 A 18 18 ILE H H 18 7.807 7.926 -0.119 1
1 149 . 18 1 1 A 18 18 ILE HA H 18 4.238 4.223 0.015 1
1 159 . 18 1 1 A 18 18 ILE CA C 18 61.932 61.545 0.387 1
1 160 . 18 1 1 A 18 18 ILE CB C 18 38.997 38.196 0.801 1
1 161 . 18 1 1 A 18 18 ILE N N 18 118.727 118.658 0.069 1
1 162 . 18 1 1 A 19 19 GLY H H 19 8.106 8.239 -0.133 1
1 163 . 18 1 1 A 19 19 GLY HA2 H 19 4.054 3.671 0.383 1
1 164 . 18 1 1 A 19 19 GLY HA3 H 19 4.054 3.674 0.380 1
1 165 . 18 1 1 A 19 19 GLY CA C 19 46.338 47.162 -0.824 1
1 166 . 18 1 1 A 19 19 GLY N N 19 109.552 110.206 -0.654 1
1 167 . 18 1 1 A 20 20 GLY H H 20 8.305 8.544 -0.239 1
1 168 . 18 1 1 A 20 20 GLY HA2 H 20 3.877 3.842 0.035 1
1 169 . 18 1 1 A 20 20 GLY HA3 H 20 3.877 3.842 0.035 1
1 170 . 18 1 1 A 20 20 GLY CA C 20 47.746 47.041 0.705 1
1 171 . 18 1 1 A 20 20 GLY N N 20 107.332 108.499 -1.167 1
1 172 . 18 1 1 A 21 21 LEU H H 21 8.046 8.099 -0.053 1
1 173 . 18 1 1 A 21 21 LEU HA H 21 4.172 4.023 0.149 1
1 183 . 18 1 1 A 21 21 LEU CA C 21 58.140 57.824 0.316 1
1 184 . 18 1 1 A 21 21 LEU CB C 21 41.812 41.887 -0.075 1
1 185 . 18 1 1 A 21 21 LEU N N 21 119.906 123.182 -3.276 1
1 186 . 18 1 1 A 22 22 VAL H H 22 7.716 8.296 -0.580 1
1 187 . 18 1 1 A 22 22 VAL HA H 22 3.691 3.504 0.187 1
1 195 . 18 1 1 A 22 22 VAL CA C 22 66.872 66.991 -0.119 1
1 196 . 18 1 1 A 22 22 VAL CB C 22 67.290 31.682 35.608 1
1 197 . 18 1 1 A 22 22 VAL N N 22 117.489 117.222 0.267 1
1 198 . 18 1 1 A 23 23 ILE H H 23 7.707 8.291 -0.584 1
1 199 . 18 1 1 A 23 23 ILE HA H 23 3.679 3.575 0.104 1
1 208 . 18 1 1 A 23 23 ILE CA C 23 65.219 65.956 -0.737 1
1 209 . 18 1 1 A 23 23 ILE CB C 23 39.538 38.317 1.221 1
1 210 . 18 1 1 A 23 23 ILE N N 23 117.900 119.752 -1.852 1
1 211 . 18 1 1 A 24 24 ALA H H 24 8.248 8.876 -0.628 1
1 215 . 18 1 1 A 24 24 ALA CA C 24 55.723 55.476 0.247 1
1 216 . 18 1 1 A 24 24 ALA CB C 24 18.223 18.689 -0.466 1
1 217 . 18 1 1 A 24 24 ALA N N 24 120.166 121.763 -1.597 1
1 218 . 18 1 1 A 25 25 GLY H H 25 8.482 8.154 0.328 1
1 219 . 18 1 1 A 25 25 GLY HA2 H 25 3.781 3.843 -0.062 1
1 220 . 18 1 1 A 25 25 GLY HA3 H 25 3.692 3.880 -0.188 1
1 221 . 18 1 1 A 25 25 GLY CA C 25 47.860 47.543 0.317 1
1 222 . 18 1 1 A 25 25 GLY N N 25 103.943 105.803 -1.860 1
1 223 . 18 1 1 A 26 26 ILE H H 26 8.401 7.877 0.524 1
1 224 . 18 1 1 A 26 26 ILE HA H 26 3.715 3.833 -0.118 1
1 229 . 18 1 1 A 26 26 ILE CA C 26 65.719 64.694 1.025 1
1 230 . 18 1 1 A 26 26 ILE CB C 26 38.043 37.730 0.313 1
1 231 . 18 1 1 A 26 26 ILE N N 26 120.944 122.612 -1.668 1
1 232 . 18 1 1 A 27 27 LEU H H 27 8.303 7.870 0.433 1
1 233 . 18 1 1 A 27 27 LEU HA H 27 4.011 3.942 0.069 1
1 243 . 18 1 1 A 27 27 LEU CA C 27 58.586 58.312 0.274 1
1 244 . 18 1 1 A 27 27 LEU CB C 27 41.728 41.684 0.044 1
1 245 . 18 1 1 A 27 27 LEU N N 27 118.806 121.002 -2.196 1
1 246 . 18 1 1 A 28 28 PHE H H 28 8.568 7.717 0.851 1
1 247 . 18 1 1 A 28 28 PHE HA H 28 4.238 4.265 -0.027 1
1 252 . 18 1 1 A 28 28 PHE CA C 28 61.596 61.437 0.159 1
1 253 . 18 1 1 A 28 28 PHE CB C 28 39.690 38.558 1.132 1
1 254 . 18 1 1 A 28 28 PHE N N 28 118.499 117.078 1.421 1
1 255 . 18 1 1 A 29 29 ILE H H 29 8.247 8.266 -0.019 1
1 256 . 18 1 1 A 29 29 ILE HA H 29 3.607 3.705 -0.098 1
1 263 . 18 1 1 A 29 29 ILE CA C 29 65.048 65.003 0.045 1
1 264 . 18 1 1 A 29 29 ILE CB C 29 37.293 37.706 -0.413 1
1 265 . 18 1 1 A 29 29 ILE N N 29 117.892 120.423 -2.531 1
1 266 . 18 1 1 A 30 30 LEU H H 30 8.624 8.756 -0.132 1
1 267 . 18 1 1 A 30 30 LEU HA H 30 4.012 4.021 -0.009 1
1 277 . 18 1 1 A 30 30 LEU CA C 30 58.624 57.606 1.018 1
1 278 . 18 1 1 A 30 30 LEU CB C 30 42.011 41.727 0.284 1
1 279 . 18 1 1 A 30 30 LEU N N 30 119.146 121.429 -2.283 1
1 280 . 18 1 1 A 31 31 GLY H H 31 8.754 8.426 0.328 1
1 281 . 18 1 1 A 31 31 GLY HA2 H 31 3.643 3.706 -0.063 1
1 282 . 18 1 1 A 31 31 GLY HA3 H 31 3.643 3.715 -0.072 1
1 283 . 18 1 1 A 31 31 GLY CA C 31 48.068 47.429 0.639 1
1 284 . 18 1 1 A 31 31 GLY N N 31 106.000 106.849 -0.849 1
1 285 . 18 1 1 A 32 32 ILE H H 32 8.303 8.593 -0.290 1
1 286 . 18 1 1 A 32 32 ILE HA H 32 3.622 3.832 -0.210 1
1 296 . 18 1 1 A 32 32 ILE CA C 32 65.126 64.612 0.514 1
1 297 . 18 1 1 A 32 32 ILE CB C 32 39.126 38.033 1.093 1
1 298 . 18 1 1 A 32 32 ILE N N 32 120.840 122.501 -1.661 1
1 299 . 18 1 1 A 33 33 LEU H H 33 8.388 8.204 0.184 1
1 300 . 18 1 1 A 33 33 LEU HA H 33 4.042 4.012 0.030 1
1 310 . 18 1 1 A 33 33 LEU CA C 33 58.672 58.060 0.612 1
1 311 . 18 1 1 A 33 33 LEU CB C 33 40.359 41.556 -1.197 1
1 312 . 18 1 1 A 33 33 LEU N N 33 119.523 119.434 0.089 1
1 313 . 18 1 1 A 34 34 ILE H H 34 8.703 8.720 -0.017 1
1 314 . 18 1 1 A 34 34 ILE HA H 34 3.685 3.562 0.123 1
1 319 . 18 1 1 A 34 34 ILE CA C 34 66.120 65.432 0.688 1
1 320 . 18 1 1 A 34 34 ILE CB C 34 37.627 37.776 -0.149 1
1 321 . 18 1 1 A 34 34 ILE N N 34 120.906 119.687 1.219 1
1 322 . 18 1 1 A 35 35 VAL H H 35 8.359 8.061 0.298 1
1 323 . 18 1 1 A 35 35 VAL HA H 35 3.690 3.599 0.091 1
1 331 . 18 1 1 A 35 35 VAL CA C 35 67.546 66.762 0.784 1
1 332 . 18 1 1 A 35 35 VAL CB C 35 31.619 31.816 -0.197 1
1 333 . 18 1 1 A 35 35 VAL N N 35 120.794 119.221 1.573 1
1 334 . 18 1 1 A 36 36 LEU H H 36 9.002 8.220 0.782 1
1 335 . 18 1 1 A 36 36 LEU HA H 36 4.095 4.050 0.045 1
1 345 . 18 1 1 A 36 36 LEU CA C 36 58.589 57.846 0.743 1
1 346 . 18 1 1 A 36 36 LEU CB C 36 42.017 40.865 1.152 1
1 347 . 18 1 1 A 36 36 LEU N N 36 119.433 117.848 1.585 1
1 348 . 18 1 1 A 37 37 SER H H 37 8.585 8.282 0.303 1
1 349 . 18 1 1 A 37 37 SER HA H 37 4.632 4.123 0.509 1
1 352 . 18 1 1 A 37 37 SER CA C 37 62.896 62.020 0.876 1
1 353 . 18 1 1 A 37 37 SER CB C 37 63.973 62.836 1.137 1
1 354 . 18 1 1 A 37 37 SER N N 37 115.400 114.491 0.909 1
1 355 . 18 1 1 A 38 38 ARG H H 38 8.180 7.881 0.299 1
1 356 . 18 1 1 A 38 38 ARG HA H 38 4.218 4.102 0.116 1
1 363 . 18 1 1 A 38 38 ARG CA C 38 59.259 59.434 -0.175 1
1 364 . 18 1 1 A 38 38 ARG CB C 38 30.751 29.960 0.791 1
1 365 . 18 1 1 A 38 38 ARG N N 38 121.516 122.349 -0.833 1
1 366 . 18 1 1 A 39 39 ARG H H 39 8.362 7.698 0.664 1
1 367 . 18 1 1 A 39 39 ARG HA H 39 4.373 4.080 0.293 1
1 374 . 18 1 1 A 39 39 ARG CA C 39 58.095 59.341 -1.246 1
1 375 . 18 1 1 A 39 39 ARG CB C 39 30.581 29.988 0.593 1
1 376 . 18 1 1 A 39 39 ARG N N 39 117.803 118.745 -0.942 1
1 377 . 18 1 1 A 40 40 CYS H H 40 8.423 8.388 0.035 1
1 378 . 18 1 1 A 40 40 CYS HA H 40 4.447 4.227 0.220 1
1 381 . 18 1 1 A 40 40 CYS CA C 40 61.514 62.067 -0.553 1
1 382 . 18 1 1 A 40 40 CYS CB C 40 28.091 27.328 0.763 1
1 383 . 18 1 1 A 40 40 CYS N N 40 116.351 118.674 -2.323 1
1 384 . 18 1 1 A 41 41 ARG H H 41 8.095 8.393 -0.298 1
1 385 . 18 1 1 A 41 41 ARG HA H 41 4.204 4.086 0.118 1
1 392 . 18 1 1 A 41 41 ARG CA C 41 58.876 59.235 -0.359 1
1 393 . 18 1 1 A 41 41 ARG CB C 41 30.227 29.977 0.250 1
1 394 . 18 1 1 A 41 41 ARG N N 41 119.841 121.320 -1.479 1
1 395 . 18 1 1 A 42 42 CYS H H 42 8.061 8.413 -0.352 1
1 396 . 18 1 1 A 42 42 CYS HA H 42 4.435 4.221 0.214 1
1 399 . 18 1 1 A 42 42 CYS CA C 42 60.508 64.012 -3.504 1
1 400 . 18 1 1 A 42 42 CYS CB C 42 27.409 27.480 -0.071 1
1 401 . 18 1 1 A 42 42 CYS N N 42 116.220 118.014 -1.794 1
1 402 . 18 1 1 A 43 43 LYS H H 43 7.936 8.173 -0.237 1
1 403 . 18 1 1 A 43 43 LYS HA H 43 4.244 4.157 0.087 1
1 408 . 18 1 1 A 43 43 LYS CA C 43 57.480 58.158 -0.678 1
1 409 . 18 1 1 A 43 43 LYS CB C 43 32.888 32.206 0.682 1
1 410 . 18 1 1 A 43 43 LYS N N 43 120.337 120.424 -0.087 1
1 411 . 18 1 1 A 44 44 PHE H H 44 7.966 8.058 -0.092 1
1 412 . 18 1 1 A 44 44 PHE HA H 44 4.664 4.177 0.487 1
1 417 . 18 1 1 A 44 44 PHE CA C 44 58.606 60.911 -2.305 1
1 418 . 18 1 1 A 44 44 PHE CB C 44 39.452 39.898 -0.446 1
1 419 . 18 1 1 A 44 44 PHE N N 44 118.202 121.405 -3.203 1
1 420 . 18 1 1 A 45 45 ASN H H 45 8.147 8.030 0.117 1
1 421 . 18 1 1 A 45 45 ASN HA H 45 4.771 4.713 0.058 1
1 426 . 18 1 1 A 45 45 ASN CA C 45 53.951 52.850 1.101 1
1 427 . 18 1 1 A 45 45 ASN CB C 45 39.301 40.562 -1.261 1
1 428 . 18 1 1 A 45 45 ASN N N 45 118.296 116.584 1.712 1
1 430 . 18 1 1 A 46 46 GLN H H 46 8.209 7.776 0.433 1
1 431 . 18 1 1 A 46 46 GLN HA H 46 4.344 4.072 0.272 1
1 436 . 18 1 1 A 46 46 GLN CA C 46 56.832 59.128 -2.296 1
1 437 . 18 1 1 A 46 46 GLN CB C 46 29.314 28.780 0.534 1
1 438 . 18 1 1 A 46 46 GLN N N 46 119.469 119.742 -0.273 1
1 439 . 18 1 1 A 47 47 GLN H H 47 8.221 8.163 0.058 1
1 440 . 18 1 1 A 47 47 GLN CA C 47 56.832 58.680 -1.848 1
1 441 . 18 1 1 A 47 47 GLN CB C 47 29.314 28.771 0.543 1
1 442 . 18 1 1 A 47 47 GLN N N 47 119.452 118.360 1.092 1
1 443 . 18 1 1 A 48 48 GLN H H 48 8.058 8.058 0.000 1
1 444 . 18 1 1 A 48 48 GLN HA H 48 4.394 4.076 0.318 1
1 449 . 18 1 1 A 48 48 GLN CA C 48 56.600 59.053 -2.453 1
1 450 . 18 1 1 A 48 48 GLN CB C 48 29.578 28.656 0.922 1
1 451 . 18 1 1 A 48 48 GLN N N 48 119.642 117.766 1.876 1
1 452 . 18 1 1 A 49 49 ARG H H 49 8.255 7.478 0.777 1
1 453 . 18 1 1 A 49 49 ARG HA H 49 4.475 4.531 -0.056 1
1 460 . 18 1 1 A 49 49 ARG CA C 49 56.569 56.070 0.499 1
1 461 . 18 1 1 A 49 49 ARG CB C 49 30.919 30.643 0.276 1
1 462 . 18 1 1 A 49 49 ARG N N 49 121.599 114.886 6.713 1
1 463 . 18 1 1 A 50 50 THR H H 50 8.113 7.862 0.251 1
1 464 . 18 1 1 A 50 50 THR HA H 50 4.438 4.629 -0.191 1
1 469 . 18 1 1 A 50 50 THR CA C 50 62.130 61.597 0.533 1
1 470 . 18 1 1 A 50 50 THR CB C 50 70.380 71.617 -1.237 1
1 471 . 18 1 1 A 50 50 THR N N 50 113.660 112.384 1.276 1
1 472 . 18 1 1 A 51 51 GLY H H 51 8.296 7.637 0.659 1
1 473 . 18 1 1 A 51 51 GLY HA2 H 51 4.060 4.074 -0.014 1
1 474 . 18 1 1 A 51 51 GLY HA3 H 51 4.060 4.088 -0.028 1
1 475 . 18 1 1 A 51 51 GLY CA C 51 45.374 44.791 0.583 1
1 476 . 18 1 1 A 51 51 GLY N N 51 110.876 109.164 1.712 1
1 477 . 18 1 1 A 52 52 GLU H H 52 8.153 8.599 -0.446 1
1 478 . 18 1 1 A 52 52 GLU HA H 52 4.729 4.640 0.089 1
1 483 . 18 1 1 A 52 52 GLU CA C 52 54.072 54.615 -0.543 1
1 484 . 18 1 1 A 52 52 GLU CB C 52 29.347 29.981 -0.634 1
1 485 . 18 1 1 A 52 52 GLU N N 52 120.834 122.929 -2.095 1
1 486 . 18 1 1 A 53 53 PRO HA H 53 4.495 4.295 0.200 1
1 493 . 18 1 1 A 53 53 PRO CA C 53 63.749 63.092 0.657 1
1 494 . 18 1 1 A 53 53 PRO CB C 53 32.309 32.604 -0.295 1
1 495 . 18 1 1 A 54 54 ASP H H 54 8.402 8.872 -0.470 1
1 496 . 18 1 1 A 54 54 ASP HA H 54 4.677 4.258 0.419 1
1 499 . 18 1 1 A 54 54 ASP CA C 54 54.210 56.460 -2.250 1
1 500 . 18 1 1 A 54 54 ASP CB C 54 40.375 39.365 1.010 1
1 501 . 18 1 1 A 54 54 ASP N N 54 119.287 116.079 3.208 1
1 502 . 18 1 1 A 55 55 GLU H H 55 8.249 8.729 -0.480 1
1 503 . 18 1 1 A 55 55 GLU HA H 55 4.650 4.007 0.643 1
1 508 . 18 1 1 A 55 55 GLU CA C 55 56.397 59.348 -2.951 1
1 509 . 18 1 1 A 55 55 GLU CB C 55 29.461 29.601 -0.140 1
1 510 . 18 1 1 A 55 55 GLU N N 55 120.671 120.515 0.156 1
1 511 . 18 1 1 A 56 56 GLU H H 56 8.257 7.835 0.422 1
1 512 . 18 1 1 A 56 56 GLU HA H 56 4.396 3.959 0.437 1
1 517 . 18 1 1 A 56 56 GLU CA C 56 56.414 57.644 -1.230 1
1 518 . 18 1 1 A 56 56 GLU CB C 56 29.461 27.503 1.958 1
1 519 . 18 1 1 A 56 56 GLU N N 56 119.852 116.501 3.351 1
1 520 . 18 1 1 A 57 57 GLU H H 57 8.311 8.246 0.065 1
1 521 . 18 1 1 A 57 57 GLU HA H 57 4.453 4.408 0.045 1
1 526 . 18 1 1 A 57 57 GLU CA C 57 56.350 55.819 0.531 1
1 527 . 18 1 1 A 57 57 GLU CB C 57 29.959 29.297 0.662 1
1 528 . 18 1 1 A 57 57 GLU N N 57 121.046 119.531 1.515 1
1 529 . 18 1 1 A 58 58 GLY H H 58 8.407 8.418 -0.011 1
1 530 . 18 1 1 A 58 58 GLY HA2 H 58 4.190 3.849 0.341 1
1 531 . 18 1 1 A 58 58 GLY HA3 H 58 4.190 3.867 0.323 1
1 532 . 18 1 1 A 58 58 GLY CA C 58 45.841 46.634 -0.793 1
1 533 . 18 1 1 A 58 58 GLY N N 58 109.873 113.006 -3.133 1
1 534 . 18 1 1 A 59 59 THR H H 59 8.141 7.638 0.503 1
1 535 . 18 1 1 A 59 59 THR HA H 59 4.348 4.393 -0.045 1
1 540 . 18 1 1 A 59 59 THR CA C 59 63.622 59.557 4.065 1
1 541 . 18 1 1 A 59 59 THR CB C 59 70.393 71.991 -1.598 1
1 542 . 18 1 1 A 59 59 THR N N 59 114.486 109.807 4.679 1
1 543 . 18 1 1 A 60 60 PHE H H 60 8.651 9.080 -0.429 1
1 544 . 18 1 1 A 60 60 PHE HA H 60 4.439 4.037 0.402 1
1 549 . 18 1 1 A 60 60 PHE CA C 60 61.359 62.121 -0.762 1
1 550 . 18 1 1 A 60 60 PHE CB C 60 38.960 39.104 -0.144 1
1 551 . 18 1 1 A 60 60 PHE N N 60 123.173 122.258 0.915 1
1 552 . 18 1 1 A 61 61 ARG H H 61 8.247 8.238 0.009 1
1 553 . 18 1 1 A 61 61 ARG HA H 61 3.932 3.944 -0.012 1
1 560 . 18 1 1 A 61 61 ARG CA C 61 59.472 59.743 -0.271 1
1 561 . 18 1 1 A 61 61 ARG CB C 61 30.162 29.883 0.279 1
1 562 . 18 1 1 A 61 61 ARG N N 61 118.197 118.508 -0.311 1
1 563 . 18 1 1 A 62 62 SER H H 62 8.098 8.004 0.094 1
1 564 . 18 1 1 A 62 62 SER HA H 62 4.313 4.108 0.205 1
1 567 . 18 1 1 A 62 62 SER CA C 62 61.112 61.948 -0.836 1
1 568 . 18 1 1 A 62 62 SER CB C 62 63.426 62.783 0.643 1
1 569 . 18 1 1 A 62 62 SER N N 62 113.309 117.047 -3.738 1
1 570 . 18 1 1 A 63 63 SER H H 63 8.050 7.973 0.077 1
1 571 . 18 1 1 A 63 63 SER HA H 63 4.361 4.091 0.270 1
1 574 . 18 1 1 A 63 63 SER CA C 63 61.816 61.348 0.468 1
1 575 . 18 1 1 A 63 63 SER CB C 63 64.359 62.572 1.787 1
1 576 . 18 1 1 A 63 63 SER N N 63 118.744 115.528 3.216 1
1 577 . 18 1 1 A 64 64 ILE H H 64 7.813 7.936 -0.123 1
1 578 . 18 1 1 A 64 64 ILE HA H 64 3.936 3.758 0.178 1
1 588 . 18 1 1 A 64 64 ILE CA C 64 63.557 63.549 0.008 1
1 589 . 18 1 1 A 64 64 ILE CB C 64 37.482 37.396 0.086 1
1 590 . 18 1 1 A 64 64 ILE N N 64 120.616 123.783 -3.167 1
1 591 . 18 1 1 A 65 65 ARG H H 65 7.863 8.068 -0.205 1
1 592 . 18 1 1 A 65 65 ARG HA H 65 4.207 3.892 0.315 1
1 600 . 18 1 1 A 65 65 ARG CA C 65 58.617 59.763 -1.146 1
1 601 . 18 1 1 A 65 65 ARG CB C 65 30.088 29.777 0.311 1
1 602 . 18 1 1 A 65 65 ARG N N 65 120.278 122.835 -2.557 1
1 603 . 18 1 1 A 66 66 ARG H H 66 7.934 7.648 0.286 1
1 604 . 18 1 1 A 66 66 ARG HA H 66 4.251 4.055 0.196 1
1 611 . 18 1 1 A 66 66 ARG CA C 66 58.512 58.997 -0.485 1
1 612 . 18 1 1 A 66 66 ARG CB C 66 30.618 29.811 0.807 1
1 613 . 18 1 1 A 66 66 ARG N N 66 119.070 119.541 -0.471 1
1 614 . 18 1 1 A 67 67 LEU H H 67 8.014 8.195 -0.181 1
1 615 . 18 1 1 A 67 67 LEU HA H 67 4.259 4.250 0.009 1
1 625 . 18 1 1 A 67 67 LEU CA C 67 57.012 57.731 -0.719 1
1 626 . 18 1 1 A 67 67 LEU CB C 67 42.398 40.924 1.474 1
1 627 . 18 1 1 A 67 67 LEU N N 67 119.999 119.495 0.504 1
1 628 . 18 1 1 A 68 68 SER H H 68 8.091 8.189 -0.098 1
1 629 . 18 1 1 A 68 68 SER HA H 68 4.352 4.177 0.175 1
1 632 . 18 1 1 A 68 68 SER CA C 68 60.421 61.202 -0.781 1
1 633 . 18 1 1 A 68 68 SER CB C 68 63.997 63.036 0.961 1
1 634 . 18 1 1 A 68 68 SER N N 68 113.037 114.905 -1.868 1
1 635 . 18 1 1 A 69 69 THR H H 69 7.765 7.741 0.024 1
1 640 . 18 1 1 A 69 69 THR CA C 69 63.075 63.639 -0.564 1
1 641 . 18 1 1 A 69 69 THR CB C 69 69.994 69.563 0.431 1
1 642 . 18 1 1 A 69 69 THR N N 69 113.132 113.058 0.074 1
1 643 . 18 1 1 A 70 70 ARG H H 70 7.915 8.752 -0.837 1
1 644 . 18 1 1 A 70 70 ARG HA H 70 4.402 4.112 0.290 1
1 651 . 18 1 1 A 70 70 ARG CA C 70 57.068 59.079 -2.011 1
1 652 . 18 1 1 A 70 70 ARG CB C 70 30.778 31.113 -0.335 1
1 653 . 18 1 1 A 70 70 ARG N N 70 121.113 121.762 -0.649 1
1 654 . 18 1 1 A 71 71 ARG H H 71 7.891 7.771 0.120 1
1 655 . 18 1 1 A 71 71 ARG HA H 71 4.421 4.652 -0.231 1
1 662 . 18 1 1 A 71 71 ARG CA C 71 56.407 55.387 1.020 1
1 663 . 18 1 1 A 71 71 ARG CB C 71 31.156 33.106 -1.950 1
1 664 . 18 1 1 A 71 71 ARG N N 71 118.899 118.961 -0.062 1
1 8 . 19 1 1 A 2 2 SER H H 2 8.707 8.003 0.704 1
1 9 . 19 1 1 A 2 2 SER HA H 2 4.638 4.880 -0.242 1
1 12 . 19 1 1 A 2 2 SER CA C 2 56.699 56.010 0.689 1
1 13 . 19 1 1 A 2 2 SER CB C 2 63.978 65.674 -1.696 1
1 14 . 19 1 1 A 2 2 SER N N 2 118.975 115.152 3.823 1
1 15 . 19 1 1 A 3 3 PRO HA H 3 4.533 3.936 0.597 1
1 22 . 19 1 1 A 3 3 PRO CA C 3 64.301 64.048 0.253 1
1 23 . 19 1 1 A 3 3 PRO CB C 3 32.998 31.256 1.742 1
1 24 . 19 1 1 A 4 4 LYS H H 4 8.117 8.240 -0.123 1
1 25 . 19 1 1 A 4 4 LYS HA H 4 4.314 4.057 0.257 1
1 32 . 19 1 1 A 4 4 LYS CA C 4 56.918 58.375 -1.457 1
1 33 . 19 1 1 A 4 4 LYS CB C 4 33.010 31.831 1.179 1
1 34 . 19 1 1 A 4 4 LYS N N 4 118.277 117.179 1.098 1
1 35 . 19 1 1 A 5 5 GLU HA H 5 4.302 4.288 0.014 1
1 40 . 19 1 1 A 5 5 GLU CA C 5 56.505 58.972 -2.467 1
1 41 . 19 1 1 A 5 5 GLU CB C 5 38.736 29.844 8.892 1
1 42 . 19 1 1 A 6 6 HIS H H 6 8.075 7.166 0.909 1
1 43 . 19 1 1 A 6 6 HIS HA H 6 4.352 4.533 -0.181 1
1 47 . 19 1 1 A 6 6 HIS CA C 6 55.000 57.151 -2.151 1
1 48 . 19 1 1 A 6 6 HIS CB C 6 29.504 30.516 -1.012 1
1 49 . 19 1 1 A 6 6 HIS N N 6 117.435 118.722 -1.287 1
1 50 . 19 1 1 A 7 7 ASP H H 7 8.249 9.051 -0.802 1
1 51 . 19 1 1 A 7 7 ASP HA H 7 4.796 4.586 0.210 1
1 54 . 19 1 1 A 7 7 ASP CA C 7 51.877 59.556 -7.679 1
1 55 . 19 1 1 A 7 7 ASP CB C 7 39.384 40.905 -1.521 1
1 56 . 19 1 1 A 7 7 ASP N N 7 120.163 122.670 -2.507 1
1 57 . 19 1 1 A 8 8 PRO HA H 8 4.458 4.595 -0.137 1
1 64 . 19 1 1 A 8 8 PRO CA C 8 63.863 65.257 -1.394 1
1 65 . 19 1 1 A 8 8 PRO CB C 8 32.512 31.333 1.179 1
1 66 . 19 1 1 A 9 9 PHE H H 9 7.959 7.972 -0.013 1
1 67 . 19 1 1 A 9 9 PHE HA H 9 4.783 4.125 0.658 1
1 72 . 19 1 1 A 9 9 PHE CA C 9 58.261 61.727 -3.466 1
1 73 . 19 1 1 A 9 9 PHE CB C 9 39.190 39.394 -0.204 1
1 74 . 19 1 1 A 9 9 PHE N N 9 118.640 119.236 -0.596 1
1 75 . 19 1 1 A 10 10 THR H H 10 7.897 8.198 -0.301 1
1 76 . 19 1 1 A 10 10 THR HA H 10 4.440 3.977 0.463 1
1 81 . 19 1 1 A 10 10 THR CA C 10 62.056 66.316 -4.260 1
1 82 . 19 1 1 A 10 10 THR CB C 10 70.112 68.532 1.580 1
1 83 . 19 1 1 A 10 10 THR N N 10 112.714 113.827 -1.113 1
1 84 . 19 1 1 A 11 11 TYR H H 11 7.615 7.784 -0.169 1
1 85 . 19 1 1 A 11 11 TYR HA H 11 4.471 4.939 -0.468 1
1 90 . 19 1 1 A 11 11 TYR CA C 11 58.365 57.019 1.346 1
1 91 . 19 1 1 A 11 11 TYR CB C 11 70.116 40.531 29.585 1
1 92 . 19 1 1 A 11 11 TYR N N 11 122.022 117.806 4.216 1
1 93 . 19 1 1 A 12 12 ASP H H 12 7.954 8.842 -0.888 1
1 94 . 19 1 1 A 12 12 ASP HA H 12 4.800 4.404 0.396 1
1 97 . 19 1 1 A 12 12 ASP CA C 12 53.013 55.624 -2.611 1
1 98 . 19 1 1 A 12 12 ASP CB C 12 39.384 40.448 -1.064 1
1 99 . 19 1 1 A 12 12 ASP N N 12 121.560 123.702 -2.142 1
1 100 . 19 1 1 A 13 13 TYR H H 13 7.949 7.562 0.387 1
1 101 . 19 1 1 A 13 13 TYR HA H 13 4.435 4.642 -0.207 1
1 106 . 19 1 1 A 13 13 TYR CA C 13 59.555 58.170 1.385 1
1 107 . 19 1 1 A 13 13 TYR CB C 13 39.589 37.477 2.112 1
1 108 . 19 1 1 A 13 13 TYR N N 13 121.914 117.708 4.206 1
1 109 . 19 1 1 A 14 14 GLN H H 14 8.173 8.303 -0.130 1
1 110 . 19 1 1 A 14 14 GLN HA H 14 4.222 4.037 0.185 1
1 115 . 19 1 1 A 14 14 GLN CA C 14 57.621 59.188 -1.567 1
1 116 . 19 1 1 A 14 14 GLN CB C 14 28.821 28.353 0.468 1
1 117 . 19 1 1 A 14 14 GLN N N 14 119.118 121.693 -2.575 1
1 118 . 19 1 1 A 15 15 SER H H 15 7.888 8.351 -0.463 1
1 119 . 19 1 1 A 15 15 SER HA H 15 4.485 4.337 0.148 1
1 122 . 19 1 1 A 15 15 SER CA C 15 59.326 61.407 -2.081 1
1 123 . 19 1 1 A 15 15 SER CB C 15 64.123 62.891 1.232 1
1 124 . 19 1 1 A 15 15 SER N N 15 114.275 114.850 -0.575 1
1 125 . 19 1 1 A 16 16 LEU H H 16 7.791 8.258 -0.467 1
1 126 . 19 1 1 A 16 16 LEU HA H 16 4.430 4.245 0.185 1
1 136 . 19 1 1 A 16 16 LEU CA C 16 55.849 55.691 0.158 1
1 137 . 19 1 1 A 16 16 LEU CB C 16 43.036 42.245 0.791 1
1 138 . 19 1 1 A 16 16 LEU N N 16 122.606 124.405 -1.799 1
1 139 . 19 1 1 A 17 17 GLN H H 17 8.281 7.941 0.340 1
1 140 . 19 1 1 A 17 17 GLN HA H 17 4.426 4.021 0.405 1
1 145 . 19 1 1 A 17 17 GLN CA C 17 56.500 58.790 -2.290 1
1 146 . 19 1 1 A 17 17 GLN CB C 17 29.338 29.063 0.275 1
1 147 . 19 1 1 A 17 17 GLN N N 17 120.232 118.778 1.454 1
1 148 . 19 1 1 A 18 18 ILE H H 18 7.807 7.652 0.155 1
1 149 . 19 1 1 A 18 18 ILE HA H 18 4.238 4.211 0.027 1
1 159 . 19 1 1 A 18 18 ILE CA C 18 61.932 61.340 0.592 1
1 160 . 19 1 1 A 18 18 ILE CB C 18 38.997 39.029 -0.032 1
1 161 . 19 1 1 A 18 18 ILE N N 18 118.727 118.837 -0.110 1
1 162 . 19 1 1 A 19 19 GLY H H 19 8.106 8.164 -0.058 1
1 163 . 19 1 1 A 19 19 GLY HA2 H 19 4.054 3.718 0.336 1
1 164 . 19 1 1 A 19 19 GLY HA3 H 19 4.054 3.720 0.334 1
1 165 . 19 1 1 A 19 19 GLY CA C 19 46.338 47.348 -1.010 1
1 166 . 19 1 1 A 19 19 GLY N N 19 109.552 109.561 -0.009 1
1 167 . 19 1 1 A 20 20 GLY H H 20 8.305 8.514 -0.209 1
1 168 . 19 1 1 A 20 20 GLY HA2 H 20 3.877 3.827 0.050 1
1 169 . 19 1 1 A 20 20 GLY HA3 H 20 3.877 3.837 0.040 1
1 170 . 19 1 1 A 20 20 GLY CA C 20 47.746 46.955 0.791 1
1 171 . 19 1 1 A 20 20 GLY N N 20 107.332 108.300 -0.968 1
1 172 . 19 1 1 A 21 21 LEU H H 21 8.046 7.999 0.047 1
1 173 . 19 1 1 A 21 21 LEU HA H 21 4.172 3.985 0.187 1
1 183 . 19 1 1 A 21 21 LEU CA C 21 58.140 57.723 0.417 1
1 184 . 19 1 1 A 21 21 LEU CB C 21 41.812 41.922 -0.110 1
1 185 . 19 1 1 A 21 21 LEU N N 21 119.906 123.297 -3.391 1
1 186 . 19 1 1 A 22 22 VAL H H 22 7.716 8.312 -0.596 1
1 187 . 19 1 1 A 22 22 VAL HA H 22 3.691 3.427 0.264 1
1 195 . 19 1 1 A 22 22 VAL CA C 22 66.872 66.928 -0.056 1
1 196 . 19 1 1 A 22 22 VAL CB C 22 67.290 31.733 35.557 1
1 197 . 19 1 1 A 22 22 VAL N N 22 117.489 117.167 0.322 1
1 198 . 19 1 1 A 23 23 ILE H H 23 7.707 8.232 -0.525 1
1 199 . 19 1 1 A 23 23 ILE HA H 23 3.679 3.609 0.070 1
1 208 . 19 1 1 A 23 23 ILE CA C 23 65.219 65.909 -0.690 1
1 209 . 19 1 1 A 23 23 ILE CB C 23 39.538 38.163 1.375 1
1 210 . 19 1 1 A 23 23 ILE N N 23 117.900 119.712 -1.812 1
1 211 . 19 1 1 A 24 24 ALA H H 24 8.248 8.293 -0.045 1
1 215 . 19 1 1 A 24 24 ALA CA C 24 55.723 55.320 0.403 1
1 216 . 19 1 1 A 24 24 ALA CB C 24 18.223 18.608 -0.385 1
1 217 . 19 1 1 A 24 24 ALA N N 24 120.166 121.914 -1.748 1
1 218 . 19 1 1 A 25 25 GLY H H 25 8.482 8.058 0.424 1
1 219 . 19 1 1 A 25 25 GLY HA2 H 25 3.781 3.783 -0.002 1
1 220 . 19 1 1 A 25 25 GLY HA3 H 25 3.692 3.792 -0.100 1
1 221 . 19 1 1 A 25 25 GLY CA C 25 47.860 47.380 0.480 1
1 222 . 19 1 1 A 25 25 GLY N N 25 103.943 105.290 -1.347 1
1 223 . 19 1 1 A 26 26 ILE H H 26 8.401 7.851 0.550 1
1 224 . 19 1 1 A 26 26 ILE HA H 26 3.715 3.836 -0.121 1
1 229 . 19 1 1 A 26 26 ILE CA C 26 65.719 64.687 1.032 1
1 230 . 19 1 1 A 26 26 ILE CB C 26 38.043 37.814 0.229 1
1 231 . 19 1 1 A 26 26 ILE N N 26 120.944 122.565 -1.621 1
1 232 . 19 1 1 A 27 27 LEU H H 27 8.303 8.024 0.279 1
1 233 . 19 1 1 A 27 27 LEU HA H 27 4.011 4.054 -0.043 1
1 243 . 19 1 1 A 27 27 LEU CA C 27 58.586 58.477 0.109 1
1 244 . 19 1 1 A 27 27 LEU CB C 27 41.728 41.946 -0.218 1
1 245 . 19 1 1 A 27 27 LEU N N 27 118.806 121.116 -2.310 1
1 246 . 19 1 1 A 28 28 PHE H H 28 8.568 7.941 0.627 1
1 247 . 19 1 1 A 28 28 PHE HA H 28 4.238 4.233 0.005 1
1 252 . 19 1 1 A 28 28 PHE CA C 28 61.596 61.430 0.166 1
1 253 . 19 1 1 A 28 28 PHE CB C 28 39.690 38.839 0.851 1
1 254 . 19 1 1 A 28 28 PHE N N 28 118.499 117.301 1.198 1
1 255 . 19 1 1 A 29 29 ILE H H 29 8.247 8.454 -0.207 1
1 256 . 19 1 1 A 29 29 ILE HA H 29 3.607 3.672 -0.065 1
1 263 . 19 1 1 A 29 29 ILE CA C 29 65.048 65.480 -0.432 1
1 264 . 19 1 1 A 29 29 ILE CB C 29 37.293 37.712 -0.419 1
1 265 . 19 1 1 A 29 29 ILE N N 29 117.892 120.349 -2.457 1
1 266 . 19 1 1 A 30 30 LEU H H 30 8.624 8.592 0.032 1
1 267 . 19 1 1 A 30 30 LEU HA H 30 4.012 4.043 -0.031 1
1 277 . 19 1 1 A 30 30 LEU CA C 30 58.624 57.879 0.745 1
1 278 . 19 1 1 A 30 30 LEU CB C 30 42.011 41.723 0.288 1
1 279 . 19 1 1 A 30 30 LEU N N 30 119.146 121.142 -1.996 1
1 280 . 19 1 1 A 31 31 GLY H H 31 8.754 8.396 0.358 1
1 281 . 19 1 1 A 31 31 GLY HA2 H 31 3.643 3.641 0.002 1
1 282 . 19 1 1 A 31 31 GLY HA3 H 31 3.643 3.689 -0.046 1
1 283 . 19 1 1 A 31 31 GLY CA C 31 48.068 47.391 0.677 1
1 284 . 19 1 1 A 31 31 GLY N N 31 106.000 107.329 -1.329 1
1 285 . 19 1 1 A 32 32 ILE H H 32 8.303 8.310 -0.007 1
1 286 . 19 1 1 A 32 32 ILE HA H 32 3.622 3.792 -0.170 1
1 296 . 19 1 1 A 32 32 ILE CA C 32 65.126 64.582 0.544 1
1 297 . 19 1 1 A 32 32 ILE CB C 32 39.126 37.994 1.132 1
1 298 . 19 1 1 A 32 32 ILE N N 32 120.840 122.460 -1.620 1
1 299 . 19 1 1 A 33 33 LEU H H 33 8.388 8.053 0.335 1
1 300 . 19 1 1 A 33 33 LEU HA H 33 4.042 4.015 0.027 1
1 310 . 19 1 1 A 33 33 LEU CA C 33 58.672 57.946 0.726 1
1 311 . 19 1 1 A 33 33 LEU CB C 33 40.359 41.609 -1.250 1
1 312 . 19 1 1 A 33 33 LEU N N 33 119.523 119.405 0.118 1
1 313 . 19 1 1 A 34 34 ILE H H 34 8.703 8.764 -0.061 1
1 314 . 19 1 1 A 34 34 ILE HA H 34 3.685 3.575 0.110 1
1 319 . 19 1 1 A 34 34 ILE CA C 34 66.120 65.433 0.687 1
1 320 . 19 1 1 A 34 34 ILE CB C 34 37.627 37.744 -0.117 1
1 321 . 19 1 1 A 34 34 ILE N N 34 120.906 119.462 1.444 1
1 322 . 19 1 1 A 35 35 VAL H H 35 8.359 8.003 0.356 1
1 323 . 19 1 1 A 35 35 VAL HA H 35 3.690 3.617 0.073 1
1 331 . 19 1 1 A 35 35 VAL CA C 35 67.546 66.745 0.801 1
1 332 . 19 1 1 A 35 35 VAL CB C 35 31.619 31.784 -0.165 1
1 333 . 19 1 1 A 35 35 VAL N N 35 120.794 119.215 1.579 1
1 334 . 19 1 1 A 36 36 LEU H H 36 9.002 8.114 0.888 1
1 335 . 19 1 1 A 36 36 LEU HA H 36 4.095 4.049 0.046 1
1 345 . 19 1 1 A 36 36 LEU CA C 36 58.589 57.678 0.911 1
1 346 . 19 1 1 A 36 36 LEU CB C 36 42.017 40.714 1.303 1
1 347 . 19 1 1 A 36 36 LEU N N 36 119.433 117.944 1.489 1
1 348 . 19 1 1 A 37 37 SER H H 37 8.585 8.296 0.289 1
1 349 . 19 1 1 A 37 37 SER HA H 37 4.632 4.177 0.455 1
1 352 . 19 1 1 A 37 37 SER CA C 37 62.896 61.450 1.446 1
1 353 . 19 1 1 A 37 37 SER CB C 37 63.973 63.122 0.851 1
1 354 . 19 1 1 A 37 37 SER N N 37 115.400 114.424 0.976 1
1 355 . 19 1 1 A 38 38 ARG H H 38 8.180 7.857 0.323 1
1 356 . 19 1 1 A 38 38 ARG HA H 38 4.218 4.155 0.063 1
1 363 . 19 1 1 A 38 38 ARG CA C 38 59.259 59.373 -0.114 1
1 364 . 19 1 1 A 38 38 ARG CB C 38 30.751 29.892 0.859 1
1 365 . 19 1 1 A 38 38 ARG N N 38 121.516 121.698 -0.182 1
1 366 . 19 1 1 A 39 39 ARG H H 39 8.362 8.150 0.212 1
1 367 . 19 1 1 A 39 39 ARG HA H 39 4.373 4.068 0.305 1
1 374 . 19 1 1 A 39 39 ARG CA C 39 58.095 59.117 -1.022 1
1 375 . 19 1 1 A 39 39 ARG CB C 39 30.581 29.917 0.664 1
1 376 . 19 1 1 A 39 39 ARG N N 39 117.803 118.902 -1.099 1
1 377 . 19 1 1 A 40 40 CYS H H 40 8.423 8.139 0.284 1
1 378 . 19 1 1 A 40 40 CYS HA H 40 4.447 4.070 0.377 1
1 381 . 19 1 1 A 40 40 CYS CA C 40 61.514 63.316 -1.802 1
1 382 . 19 1 1 A 40 40 CYS CB C 40 28.091 26.823 1.268 1
1 383 . 19 1 1 A 40 40 CYS N N 40 116.351 119.072 -2.721 1
1 384 . 19 1 1 A 41 41 ARG H H 41 8.095 8.131 -0.036 1
1 385 . 19 1 1 A 41 41 ARG HA H 41 4.204 4.291 -0.087 1
1 392 . 19 1 1 A 41 41 ARG CA C 41 58.876 59.975 -1.099 1
1 393 . 19 1 1 A 41 41 ARG CB C 41 30.227 30.311 -0.084 1
1 394 . 19 1 1 A 41 41 ARG N N 41 119.841 119.688 0.153 1
1 395 . 19 1 1 A 42 42 CYS H H 42 8.061 7.792 0.269 1
1 396 . 19 1 1 A 42 42 CYS HA H 42 4.435 4.562 -0.127 1
1 399 . 19 1 1 A 42 42 CYS CA C 42 60.508 63.837 -3.329 1
1 400 . 19 1 1 A 42 42 CYS CB C 42 27.409 27.192 0.217 1
1 401 . 19 1 1 A 42 42 CYS N N 42 116.220 119.002 -2.782 1
1 402 . 19 1 1 A 43 43 LYS H H 43 7.936 8.110 -0.174 1
1 403 . 19 1 1 A 43 43 LYS HA H 43 4.244 4.121 0.123 1
1 408 . 19 1 1 A 43 43 LYS CA C 43 57.480 58.116 -0.636 1
1 409 . 19 1 1 A 43 43 LYS CB C 43 32.888 32.014 0.874 1
1 410 . 19 1 1 A 43 43 LYS N N 43 120.337 120.549 -0.212 1
1 411 . 19 1 1 A 44 44 PHE H H 44 7.966 8.769 -0.803 1
1 412 . 19 1 1 A 44 44 PHE HA H 44 4.664 4.328 0.336 1
1 417 . 19 1 1 A 44 44 PHE CA C 44 58.606 59.410 -0.804 1
1 418 . 19 1 1 A 44 44 PHE CB C 44 39.452 38.986 0.466 1
1 419 . 19 1 1 A 44 44 PHE N N 44 118.202 117.114 1.088 1
1 420 . 19 1 1 A 45 45 ASN H H 45 8.147 7.522 0.625 1
1 421 . 19 1 1 A 45 45 ASN HA H 45 4.771 5.027 -0.256 1
1 426 . 19 1 1 A 45 45 ASN CA C 45 53.951 52.972 0.979 1
1 427 . 19 1 1 A 45 45 ASN CB C 45 39.301 38.566 0.735 1
1 428 . 19 1 1 A 45 45 ASN N N 45 118.296 116.680 1.616 1
1 430 . 19 1 1 A 46 46 GLN H H 46 8.209 8.776 -0.567 1
1 431 . 19 1 1 A 46 46 GLN HA H 46 4.344 4.038 0.306 1
1 436 . 19 1 1 A 46 46 GLN CA C 46 56.832 59.121 -2.289 1
1 437 . 19 1 1 A 46 46 GLN CB C 46 29.314 28.342 0.972 1
1 438 . 19 1 1 A 46 46 GLN N N 46 119.469 124.647 -5.178 1
1 439 . 19 1 1 A 47 47 GLN H H 47 8.221 8.240 -0.019 1
1 440 . 19 1 1 A 47 47 GLN CA C 47 56.832 59.204 -2.372 1
1 441 . 19 1 1 A 47 47 GLN CB C 47 29.314 28.284 1.030 1
1 442 . 19 1 1 A 47 47 GLN N N 47 119.452 120.475 -1.023 1
1 443 . 19 1 1 A 48 48 GLN H H 48 8.058 7.583 0.475 1
1 444 . 19 1 1 A 48 48 GLN HA H 48 4.394 4.140 0.254 1
1 449 . 19 1 1 A 48 48 GLN CA C 48 56.600 58.374 -1.774 1
1 450 . 19 1 1 A 48 48 GLN CB C 48 29.578 29.111 0.467 1
1 451 . 19 1 1 A 48 48 GLN N N 48 119.642 119.719 -0.077 1
1 452 . 19 1 1 A 49 49 ARG H H 49 8.255 7.281 0.974 1
1 453 . 19 1 1 A 49 49 ARG HA H 49 4.475 4.784 -0.309 1
1 460 . 19 1 1 A 49 49 ARG CA C 49 56.569 55.324 1.245 1
1 461 . 19 1 1 A 49 49 ARG CB C 49 30.919 31.878 -0.959 1
1 462 . 19 1 1 A 49 49 ARG N N 49 121.599 117.945 3.654 1
1 463 . 19 1 1 A 50 50 THR H H 50 8.113 8.221 -0.108 1
1 464 . 19 1 1 A 50 50 THR HA H 50 4.438 4.917 -0.479 1
1 469 . 19 1 1 A 50 50 THR CA C 50 62.130 60.621 1.509 1
1 470 . 19 1 1 A 50 50 THR CB C 50 70.380 72.002 -1.622 1
1 471 . 19 1 1 A 50 50 THR N N 50 113.660 113.868 -0.208 1
1 472 . 19 1 1 A 51 51 GLY H H 51 8.296 8.316 -0.020 1
1 473 . 19 1 1 A 51 51 GLY HA2 H 51 4.060 4.174 -0.114 1
1 474 . 19 1 1 A 51 51 GLY HA3 H 51 4.060 4.177 -0.117 1
1 475 . 19 1 1 A 51 51 GLY CA C 51 45.374 45.706 -0.332 1
1 476 . 19 1 1 A 51 51 GLY N N 51 110.876 111.831 -0.955 1
1 477 . 19 1 1 A 52 52 GLU H H 52 8.153 8.487 -0.334 1
1 478 . 19 1 1 A 52 52 GLU HA H 52 4.729 4.719 0.010 1
1 483 . 19 1 1 A 52 52 GLU CA C 52 54.072 54.287 -0.215 1
1 484 . 19 1 1 A 52 52 GLU CB C 52 29.347 28.840 0.507 1
1 485 . 19 1 1 A 52 52 GLU N N 52 120.834 119.979 0.855 1
1 486 . 19 1 1 A 53 53 PRO HA H 53 4.495 4.496 -0.001 1
1 493 . 19 1 1 A 53 53 PRO CA C 53 63.749 62.934 0.815 1
1 494 . 19 1 1 A 53 53 PRO CB C 53 32.309 32.479 -0.170 1
1 495 . 19 1 1 A 54 54 ASP H H 54 8.402 8.699 -0.297 1
1 496 . 19 1 1 A 54 54 ASP HA H 54 4.677 4.909 -0.232 1
1 499 . 19 1 1 A 54 54 ASP CA C 54 54.210 53.775 0.435 1
1 500 . 19 1 1 A 54 54 ASP CB C 54 40.375 41.965 -1.590 1
1 501 . 19 1 1 A 54 54 ASP N N 54 119.287 122.452 -3.165 1
1 502 . 19 1 1 A 55 55 GLU H H 55 8.249 8.947 -0.698 1
1 503 . 19 1 1 A 55 55 GLU HA H 55 4.650 4.636 0.014 1
1 508 . 19 1 1 A 55 55 GLU CA C 55 56.397 57.498 -1.101 1
1 509 . 19 1 1 A 55 55 GLU CB C 55 29.461 31.500 -2.039 1
1 510 . 19 1 1 A 55 55 GLU N N 55 120.671 123.459 -2.788 1
1 511 . 19 1 1 A 56 56 GLU H H 56 8.257 8.479 -0.222 1
1 512 . 19 1 1 A 56 56 GLU HA H 56 4.396 4.313 0.083 1
1 517 . 19 1 1 A 56 56 GLU CA C 56 56.414 58.509 -2.095 1
1 518 . 19 1 1 A 56 56 GLU CB C 56 29.461 29.901 -0.440 1
1 519 . 19 1 1 A 56 56 GLU N N 56 119.852 119.746 0.106 1
1 520 . 19 1 1 A 57 57 GLU H H 57 8.311 8.201 0.110 1
1 521 . 19 1 1 A 57 57 GLU HA H 57 4.453 4.464 -0.011 1
1 526 . 19 1 1 A 57 57 GLU CA C 57 56.350 57.208 -0.858 1
1 527 . 19 1 1 A 57 57 GLU CB C 57 29.959 30.773 -0.814 1
1 528 . 19 1 1 A 57 57 GLU N N 57 121.046 114.942 6.104 1
1 529 . 19 1 1 A 58 58 GLY H H 58 8.407 7.839 0.568 1
1 530 . 19 1 1 A 58 58 GLY HA2 H 58 4.190 2.281 1.909 1
1 531 . 19 1 1 A 58 58 GLY HA3 H 58 4.190 3.236 0.954 1
1 532 . 19 1 1 A 58 58 GLY CA C 58 45.841 44.454 1.387 1
1 533 . 19 1 1 A 58 58 GLY N N 58 109.873 107.575 2.298 1
1 534 . 19 1 1 A 59 59 THR H H 59 8.141 7.935 0.206 1
1 535 . 19 1 1 A 59 59 THR HA H 59 4.348 4.308 0.040 1
1 540 . 19 1 1 A 59 59 THR CA C 59 63.622 63.033 0.589 1
1 541 . 19 1 1 A 59 59 THR CB C 59 70.393 67.914 2.479 1
1 542 . 19 1 1 A 59 59 THR N N 59 114.486 114.967 -0.481 1
1 543 . 19 1 1 A 60 60 PHE H H 60 8.651 7.791 0.860 1
1 544 . 19 1 1 A 60 60 PHE HA H 60 4.439 4.186 0.253 1
1 549 . 19 1 1 A 60 60 PHE CA C 60 61.359 61.420 -0.061 1
1 550 . 19 1 1 A 60 60 PHE CB C 60 38.960 39.101 -0.141 1
1 551 . 19 1 1 A 60 60 PHE N N 60 123.173 122.424 0.749 1
1 552 . 19 1 1 A 61 61 ARG H H 61 8.247 8.137 0.110 1
1 553 . 19 1 1 A 61 61 ARG HA H 61 3.932 3.560 0.372 1
1 560 . 19 1 1 A 61 61 ARG CA C 61 59.472 60.061 -0.589 1
1 561 . 19 1 1 A 61 61 ARG CB C 61 30.162 29.655 0.507 1
1 562 . 19 1 1 A 61 61 ARG N N 61 118.197 118.850 -0.653 1
1 563 . 19 1 1 A 62 62 SER H H 62 8.098 7.825 0.273 1
1 564 . 19 1 1 A 62 62 SER HA H 62 4.313 4.107 0.206 1
1 567 . 19 1 1 A 62 62 SER CA C 62 61.112 61.756 -0.644 1
1 568 . 19 1 1 A 62 62 SER CB C 62 63.426 62.876 0.550 1
1 569 . 19 1 1 A 62 62 SER N N 62 113.309 115.542 -2.233 1
1 570 . 19 1 1 A 63 63 SER H H 63 8.050 7.982 0.068 1
1 571 . 19 1 1 A 63 63 SER HA H 63 4.361 4.133 0.228 1
1 574 . 19 1 1 A 63 63 SER CA C 63 61.816 61.479 0.337 1
1 575 . 19 1 1 A 63 63 SER CB C 63 64.359 62.513 1.846 1
1 576 . 19 1 1 A 63 63 SER N N 63 118.744 115.632 3.112 1
1 577 . 19 1 1 A 64 64 ILE H H 64 7.813 7.744 0.069 1
1 578 . 19 1 1 A 64 64 ILE HA H 64 3.936 3.605 0.331 1
1 588 . 19 1 1 A 64 64 ILE CA C 64 63.557 64.323 -0.766 1
1 589 . 19 1 1 A 64 64 ILE CB C 64 37.482 37.048 0.434 1
1 590 . 19 1 1 A 64 64 ILE N N 64 120.616 123.753 -3.137 1
1 591 . 19 1 1 A 65 65 ARG H H 65 7.863 8.049 -0.186 1
1 592 . 19 1 1 A 65 65 ARG HA H 65 4.207 3.895 0.312 1
1 600 . 19 1 1 A 65 65 ARG CA C 65 58.617 59.582 -0.965 1
1 601 . 19 1 1 A 65 65 ARG CB C 65 30.088 29.790 0.298 1
1 602 . 19 1 1 A 65 65 ARG N N 65 120.278 122.124 -1.846 1
1 603 . 19 1 1 A 66 66 ARG H H 66 7.934 7.636 0.298 1
1 604 . 19 1 1 A 66 66 ARG HA H 66 4.251 4.057 0.194 1
1 611 . 19 1 1 A 66 66 ARG CA C 66 58.512 58.659 -0.147 1
1 612 . 19 1 1 A 66 66 ARG CB C 66 30.618 30.185 0.433 1
1 613 . 19 1 1 A 66 66 ARG N N 66 119.070 120.270 -1.200 1
1 614 . 19 1 1 A 67 67 LEU H H 67 8.014 8.444 -0.430 1
1 615 . 19 1 1 A 67 67 LEU HA H 67 4.259 4.082 0.177 1
1 625 . 19 1 1 A 67 67 LEU CA C 67 57.012 57.523 -0.511 1
1 626 . 19 1 1 A 67 67 LEU CB C 67 42.398 41.059 1.339 1
1 627 . 19 1 1 A 67 67 LEU N N 67 119.999 119.932 0.067 1
1 628 . 19 1 1 A 68 68 SER H H 68 8.091 8.253 -0.162 1
1 629 . 19 1 1 A 68 68 SER HA H 68 4.352 4.176 0.176 1
1 632 . 19 1 1 A 68 68 SER CA C 68 60.421 61.207 -0.786 1
1 633 . 19 1 1 A 68 68 SER CB C 68 63.997 63.058 0.939 1
1 634 . 19 1 1 A 68 68 SER N N 68 113.037 114.670 -1.633 1
1 635 . 19 1 1 A 69 69 THR H H 69 7.765 7.669 0.096 1
1 640 . 19 1 1 A 69 69 THR CA C 69 63.075 62.694 0.381 1
1 641 . 19 1 1 A 69 69 THR CB C 69 69.994 70.597 -0.603 1
1 642 . 19 1 1 A 69 69 THR N N 69 113.132 108.867 4.265 1
1 643 . 19 1 1 A 70 70 ARG H H 70 7.915 8.600 -0.685 1
1 644 . 19 1 1 A 70 70 ARG HA H 70 4.402 4.014 0.388 1
1 651 . 19 1 1 A 70 70 ARG CA C 70 57.068 56.849 0.219 1
1 652 . 19 1 1 A 70 70 ARG CB C 70 30.778 27.790 2.988 1
1 653 . 19 1 1 A 70 70 ARG N N 70 121.113 120.233 0.880 1
1 654 . 19 1 1 A 71 71 ARG H H 71 7.891 8.036 -0.145 1
1 655 . 19 1 1 A 71 71 ARG HA H 71 4.421 4.723 -0.302 1
1 662 . 19 1 1 A 71 71 ARG CA C 71 56.407 54.295 2.112 1
1 663 . 19 1 1 A 71 71 ARG CB C 71 31.156 34.106 -2.950 1
1 664 . 19 1 1 A 71 71 ARG N N 71 118.899 121.976 -3.077 1
1 8 . 20 1 1 A 2 2 SER H H 2 8.707 7.812 0.895 1
1 9 . 20 1 1 A 2 2 SER HA H 2 4.638 4.893 -0.255 1
1 12 . 20 1 1 A 2 2 SER CA C 2 56.699 55.998 0.701 1
1 13 . 20 1 1 A 2 2 SER CB C 2 63.978 63.368 0.610 1
1 14 . 20 1 1 A 2 2 SER N N 2 118.975 115.807 3.168 1
1 15 . 20 1 1 A 3 3 PRO HA H 3 4.533 4.334 0.199 1
1 22 . 20 1 1 A 3 3 PRO CA C 3 64.301 64.082 0.219 1
1 23 . 20 1 1 A 3 3 PRO CB C 3 32.998 31.673 1.325 1
1 24 . 20 1 1 A 4 4 LYS H H 4 8.117 8.297 -0.180 1
1 25 . 20 1 1 A 4 4 LYS HA H 4 4.314 4.028 0.286 1
1 32 . 20 1 1 A 4 4 LYS CA C 4 56.918 57.913 -0.995 1
1 33 . 20 1 1 A 4 4 LYS CB C 4 33.010 32.322 0.688 1
1 34 . 20 1 1 A 4 4 LYS N N 4 118.277 116.910 1.367 1
1 35 . 20 1 1 A 5 5 GLU HA H 5 4.302 4.222 0.080 1
1 40 . 20 1 1 A 5 5 GLU CA C 5 56.505 56.452 0.053 1
1 41 . 20 1 1 A 5 5 GLU CB C 5 38.736 29.954 8.782 1
1 42 . 20 1 1 A 6 6 HIS H H 6 8.075 8.533 -0.458 1
1 43 . 20 1 1 A 6 6 HIS HA H 6 4.352 4.679 -0.327 1
1 47 . 20 1 1 A 6 6 HIS CA C 6 55.000 57.450 -2.450 1
1 48 . 20 1 1 A 6 6 HIS CB C 6 29.504 30.066 -0.562 1
1 49 . 20 1 1 A 6 6 HIS N N 6 117.435 121.456 -4.021 1
1 50 . 20 1 1 A 7 7 ASP H H 7 8.249 7.726 0.523 1
1 51 . 20 1 1 A 7 7 ASP HA H 7 4.796 4.735 0.061 1
1 54 . 20 1 1 A 7 7 ASP CA C 7 51.877 53.293 -1.416 1
1 55 . 20 1 1 A 7 7 ASP CB C 7 39.384 39.676 -0.292 1
1 56 . 20 1 1 A 7 7 ASP N N 7 120.163 120.060 0.103 1
1 57 . 20 1 1 A 8 8 PRO HA H 8 4.458 4.730 -0.272 1
1 64 . 20 1 1 A 8 8 PRO CA C 8 63.863 62.705 1.158 1
1 65 . 20 1 1 A 8 8 PRO CB C 8 32.512 33.206 -0.694 1
1 66 . 20 1 1 A 9 9 PHE H H 9 7.959 8.706 -0.747 1
1 67 . 20 1 1 A 9 9 PHE HA H 9 4.783 4.838 -0.055 1
1 72 . 20 1 1 A 9 9 PHE CA C 9 58.261 57.080 1.181 1
1 73 . 20 1 1 A 9 9 PHE CB C 9 39.190 41.500 -2.310 1
1 74 . 20 1 1 A 9 9 PHE N N 9 118.640 124.175 -5.535 1
1 75 . 20 1 1 A 10 10 THR H H 10 7.897 7.976 -0.079 1
1 76 . 20 1 1 A 10 10 THR HA H 10 4.440 4.986 -0.546 1
1 81 . 20 1 1 A 10 10 THR CA C 10 62.056 59.099 2.957 1
1 82 . 20 1 1 A 10 10 THR CB C 10 70.112 71.013 -0.901 1
1 83 . 20 1 1 A 10 10 THR N N 10 112.714 117.501 -4.787 1
1 84 . 20 1 1 A 11 11 TYR H H 11 7.615 8.787 -1.172 1
1 85 . 20 1 1 A 11 11 TYR HA H 11 4.471 5.080 -0.609 1
1 90 . 20 1 1 A 11 11 TYR CA C 11 58.365 56.301 2.064 1
1 91 . 20 1 1 A 11 11 TYR CB C 11 70.116 41.557 28.559 1
1 92 . 20 1 1 A 11 11 TYR N N 11 122.022 119.586 2.436 1
1 93 . 20 1 1 A 12 12 ASP H H 12 7.954 8.971 -1.017 1
1 94 . 20 1 1 A 12 12 ASP HA H 12 4.800 4.400 0.400 1
1 97 . 20 1 1 A 12 12 ASP CA C 12 53.013 55.309 -2.296 1
1 98 . 20 1 1 A 12 12 ASP CB C 12 39.384 39.869 -0.485 1
1 99 . 20 1 1 A 12 12 ASP N N 12 121.560 122.231 -0.671 1
1 100 . 20 1 1 A 13 13 TYR H H 13 7.949 7.641 0.308 1
1 101 . 20 1 1 A 13 13 TYR HA H 13 4.435 4.679 -0.244 1
1 106 . 20 1 1 A 13 13 TYR CA C 13 59.555 58.070 1.485 1
1 107 . 20 1 1 A 13 13 TYR CB C 13 39.589 37.805 1.784 1
1 108 . 20 1 1 A 13 13 TYR N N 13 121.914 118.606 3.308 1
1 109 . 20 1 1 A 14 14 GLN H H 14 8.173 8.088 0.085 1
1 110 . 20 1 1 A 14 14 GLN HA H 14 4.222 4.060 0.162 1
1 115 . 20 1 1 A 14 14 GLN CA C 14 57.621 58.983 -1.362 1
1 116 . 20 1 1 A 14 14 GLN CB C 14 28.821 28.355 0.466 1
1 117 . 20 1 1 A 14 14 GLN N N 14 119.118 121.583 -2.465 1
1 118 . 20 1 1 A 15 15 SER H H 15 7.888 8.319 -0.431 1
1 119 . 20 1 1 A 15 15 SER HA H 15 4.485 4.343 0.142 1
1 122 . 20 1 1 A 15 15 SER CA C 15 59.326 61.398 -2.072 1
1 123 . 20 1 1 A 15 15 SER CB C 15 64.123 62.937 1.186 1
1 124 . 20 1 1 A 15 15 SER N N 15 114.275 115.063 -0.788 1
1 125 . 20 1 1 A 16 16 LEU H H 16 7.791 8.279 -0.488 1
1 126 . 20 1 1 A 16 16 LEU HA H 16 4.430 4.167 0.263 1
1 136 . 20 1 1 A 16 16 LEU CA C 16 55.849 57.004 -1.155 1
1 137 . 20 1 1 A 16 16 LEU CB C 16 43.036 41.931 1.105 1
1 138 . 20 1 1 A 16 16 LEU N N 16 122.606 124.454 -1.848 1
1 139 . 20 1 1 A 17 17 GLN H H 17 8.281 8.028 0.253 1
1 140 . 20 1 1 A 17 17 GLN HA H 17 4.426 3.962 0.464 1
1 145 . 20 1 1 A 17 17 GLN CA C 17 56.500 59.181 -2.681 1
1 146 . 20 1 1 A 17 17 GLN CB C 17 29.338 28.279 1.059 1
1 147 . 20 1 1 A 17 17 GLN N N 17 120.232 118.566 1.666 1
1 148 . 20 1 1 A 18 18 ILE H H 18 7.807 7.877 -0.070 1
1 149 . 20 1 1 A 18 18 ILE HA H 18 4.238 4.137 0.101 1
1 159 . 20 1 1 A 18 18 ILE CA C 18 61.932 62.729 -0.797 1
1 160 . 20 1 1 A 18 18 ILE CB C 18 38.997 38.382 0.615 1
1 161 . 20 1 1 A 18 18 ILE N N 18 118.727 119.206 -0.479 1
1 162 . 20 1 1 A 19 19 GLY H H 19 8.106 7.997 0.109 1
1 163 . 20 1 1 A 19 19 GLY HA2 H 19 4.054 3.754 0.300 1
1 164 . 20 1 1 A 19 19 GLY HA3 H 19 4.054 3.756 0.298 1
1 165 . 20 1 1 A 19 19 GLY CA C 19 46.338 47.358 -1.020 1
1 166 . 20 1 1 A 19 19 GLY N N 19 109.552 109.671 -0.119 1
1 167 . 20 1 1 A 20 20 GLY H H 20 8.305 8.518 -0.213 1
1 168 . 20 1 1 A 20 20 GLY HA2 H 20 3.877 3.761 0.116 1
1 169 . 20 1 1 A 20 20 GLY HA3 H 20 3.877 3.768 0.109 1
1 170 . 20 1 1 A 20 20 GLY CA C 20 47.746 47.042 0.704 1
1 171 . 20 1 1 A 20 20 GLY N N 20 107.332 108.522 -1.190 1
1 172 . 20 1 1 A 21 21 LEU H H 21 8.046 8.077 -0.031 1
1 173 . 20 1 1 A 21 21 LEU HA H 21 4.172 4.008 0.164 1
1 183 . 20 1 1 A 21 21 LEU CA C 21 58.140 57.837 0.303 1
1 184 . 20 1 1 A 21 21 LEU CB C 21 41.812 41.784 0.028 1
1 185 . 20 1 1 A 21 21 LEU N N 21 119.906 123.035 -3.129 1
1 186 . 20 1 1 A 22 22 VAL H H 22 7.716 8.357 -0.641 1
1 187 . 20 1 1 A 22 22 VAL HA H 22 3.691 3.501 0.190 1
1 195 . 20 1 1 A 22 22 VAL CA C 22 66.872 66.935 -0.063 1
1 196 . 20 1 1 A 22 22 VAL CB C 22 67.290 31.758 35.532 1
1 197 . 20 1 1 A 22 22 VAL N N 22 117.489 117.466 0.023 1
1 198 . 20 1 1 A 23 23 ILE H H 23 7.707 8.261 -0.554 1
1 199 . 20 1 1 A 23 23 ILE HA H 23 3.679 3.570 0.109 1
1 208 . 20 1 1 A 23 23 ILE CA C 23 65.219 65.939 -0.720 1
1 209 . 20 1 1 A 23 23 ILE CB C 23 39.538 38.613 0.925 1
1 210 . 20 1 1 A 23 23 ILE N N 23 117.900 119.685 -1.785 1
1 211 . 20 1 1 A 24 24 ALA H H 24 8.248 8.799 -0.551 1
1 215 . 20 1 1 A 24 24 ALA CA C 24 55.723 55.291 0.432 1
1 216 . 20 1 1 A 24 24 ALA CB C 24 18.223 18.524 -0.301 1
1 217 . 20 1 1 A 24 24 ALA N N 24 120.166 121.755 -1.589 1
1 218 . 20 1 1 A 25 25 GLY H H 25 8.482 8.057 0.425 1
1 219 . 20 1 1 A 25 25 GLY HA2 H 25 3.781 3.825 -0.044 1
1 220 . 20 1 1 A 25 25 GLY HA3 H 25 3.692 3.860 -0.168 1
1 221 . 20 1 1 A 25 25 GLY CA C 25 47.860 47.410 0.450 1
1 222 . 20 1 1 A 25 25 GLY N N 25 103.943 105.236 -1.293 1
1 223 . 20 1 1 A 26 26 ILE H H 26 8.401 8.027 0.374 1
1 224 . 20 1 1 A 26 26 ILE HA H 26 3.715 3.864 -0.149 1
1 229 . 20 1 1 A 26 26 ILE CA C 26 65.719 64.767 0.952 1
1 230 . 20 1 1 A 26 26 ILE CB C 26 38.043 37.432 0.611 1
1 231 . 20 1 1 A 26 26 ILE N N 26 120.944 120.314 0.630 1
1 232 . 20 1 1 A 27 27 LEU H H 27 8.303 7.933 0.370 1
1 233 . 20 1 1 A 27 27 LEU HA H 27 4.011 4.025 -0.014 1
1 243 . 20 1 1 A 27 27 LEU CA C 27 58.586 58.210 0.376 1
1 244 . 20 1 1 A 27 27 LEU CB C 27 41.728 41.812 -0.084 1
1 245 . 20 1 1 A 27 27 LEU N N 27 118.806 123.996 -5.190 1
1 246 . 20 1 1 A 28 28 PHE H H 28 8.568 8.331 0.237 1
1 247 . 20 1 1 A 28 28 PHE HA H 28 4.238 4.149 0.089 1
1 252 . 20 1 1 A 28 28 PHE CA C 28 61.596 60.896 0.700 1
1 253 . 20 1 1 A 28 28 PHE CB C 28 39.690 39.156 0.534 1
1 254 . 20 1 1 A 28 28 PHE N N 28 118.499 118.959 -0.460 1
1 255 . 20 1 1 A 29 29 ILE H H 29 8.247 8.308 -0.061 1
1 256 . 20 1 1 A 29 29 ILE HA H 29 3.607 3.565 0.042 1
1 263 . 20 1 1 A 29 29 ILE CA C 29 65.048 65.109 -0.061 1
1 264 . 20 1 1 A 29 29 ILE CB C 29 37.293 37.895 -0.602 1
1 265 . 20 1 1 A 29 29 ILE N N 29 117.892 120.354 -2.462 1
1 266 . 20 1 1 A 30 30 LEU H H 30 8.624 8.417 0.207 1
1 267 . 20 1 1 A 30 30 LEU HA H 30 4.012 3.966 0.046 1
1 277 . 20 1 1 A 30 30 LEU CA C 30 58.624 58.005 0.619 1
1 278 . 20 1 1 A 30 30 LEU CB C 30 42.011 41.591 0.420 1
1 279 . 20 1 1 A 30 30 LEU N N 30 119.146 119.903 -0.757 1
1 280 . 20 1 1 A 31 31 GLY H H 31 8.754 8.179 0.575 1
1 281 . 20 1 1 A 31 31 GLY HA2 H 31 3.643 3.485 0.158 1
1 282 . 20 1 1 A 31 31 GLY HA3 H 31 3.643 3.647 -0.004 1
1 283 . 20 1 1 A 31 31 GLY CA C 31 48.068 47.332 0.736 1
1 284 . 20 1 1 A 31 31 GLY N N 31 106.000 106.420 -0.420 1
1 285 . 20 1 1 A 32 32 ILE H H 32 8.303 7.898 0.405 1
1 286 . 20 1 1 A 32 32 ILE HA H 32 3.622 3.602 0.020 1
1 296 . 20 1 1 A 32 32 ILE CA C 32 65.126 64.368 0.758 1
1 297 . 20 1 1 A 32 32 ILE CB C 32 39.126 37.837 1.289 1
1 298 . 20 1 1 A 32 32 ILE N N 32 120.840 122.165 -1.325 1
1 299 . 20 1 1 A 33 33 LEU H H 33 8.388 8.024 0.364 1
1 300 . 20 1 1 A 33 33 LEU HA H 33 4.042 4.014 0.028 1
1 310 . 20 1 1 A 33 33 LEU CA C 33 58.672 58.021 0.651 1
1 311 . 20 1 1 A 33 33 LEU CB C 33 40.359 41.603 -1.244 1
1 312 . 20 1 1 A 33 33 LEU N N 33 119.523 119.411 0.112 1
1 313 . 20 1 1 A 34 34 ILE H H 34 8.703 8.709 -0.006 1
1 314 . 20 1 1 A 34 34 ILE HA H 34 3.685 3.499 0.186 1
1 319 . 20 1 1 A 34 34 ILE CA C 34 66.120 65.339 0.781 1
1 320 . 20 1 1 A 34 34 ILE CB C 34 37.627 37.682 -0.055 1
1 321 . 20 1 1 A 34 34 ILE N N 34 120.906 119.728 1.178 1
1 322 . 20 1 1 A 35 35 VAL H H 35 8.359 7.912 0.447 1
1 323 . 20 1 1 A 35 35 VAL HA H 35 3.690 3.581 0.109 1
1 331 . 20 1 1 A 35 35 VAL CA C 35 67.546 66.715 0.831 1
1 332 . 20 1 1 A 35 35 VAL CB C 35 31.619 31.749 -0.130 1
1 333 . 20 1 1 A 35 35 VAL N N 35 120.794 119.147 1.647 1
1 334 . 20 1 1 A 36 36 LEU H H 36 9.002 8.076 0.926 1
1 335 . 20 1 1 A 36 36 LEU HA H 36 4.095 4.023 0.072 1
1 345 . 20 1 1 A 36 36 LEU CA C 36 58.589 57.755 0.834 1
1 346 . 20 1 1 A 36 36 LEU CB C 36 42.017 40.767 1.250 1
1 347 . 20 1 1 A 36 36 LEU N N 36 119.433 117.818 1.615 1
1 348 . 20 1 1 A 37 37 SER H H 37 8.585 8.230 0.355 1
1 349 . 20 1 1 A 37 37 SER HA H 37 4.632 4.120 0.512 1
1 352 . 20 1 1 A 37 37 SER CA C 37 62.896 61.895 1.001 1
1 353 . 20 1 1 A 37 37 SER CB C 37 63.973 62.768 1.205 1
1 354 . 20 1 1 A 37 37 SER N N 37 115.400 114.511 0.889 1
1 355 . 20 1 1 A 38 38 ARG H H 38 8.180 7.919 0.261 1
1 356 . 20 1 1 A 38 38 ARG HA H 38 4.218 4.063 0.155 1
1 363 . 20 1 1 A 38 38 ARG CA C 38 59.259 59.295 -0.036 1
1 364 . 20 1 1 A 38 38 ARG CB C 38 30.751 29.969 0.782 1
1 365 . 20 1 1 A 38 38 ARG N N 38 121.516 122.300 -0.784 1
1 366 . 20 1 1 A 39 39 ARG H H 39 8.362 7.898 0.464 1
1 367 . 20 1 1 A 39 39 ARG HA H 39 4.373 4.076 0.297 1
1 374 . 20 1 1 A 39 39 ARG CA C 39 58.095 58.884 -0.789 1
1 375 . 20 1 1 A 39 39 ARG CB C 39 30.581 30.133 0.448 1
1 376 . 20 1 1 A 39 39 ARG N N 39 117.803 119.685 -1.882 1
1 377 . 20 1 1 A 40 40 CYS H H 40 8.423 8.216 0.207 1
1 378 . 20 1 1 A 40 40 CYS HA H 40 4.447 4.156 0.291 1
1 381 . 20 1 1 A 40 40 CYS CA C 40 61.514 63.239 -1.725 1
1 382 . 20 1 1 A 40 40 CYS CB C 40 28.091 26.306 1.785 1
1 383 . 20 1 1 A 40 40 CYS N N 40 116.351 118.254 -1.903 1
1 384 . 20 1 1 A 41 41 ARG H H 41 8.095 8.180 -0.085 1
1 385 . 20 1 1 A 41 41 ARG HA H 41 4.204 3.866 0.338 1
1 392 . 20 1 1 A 41 41 ARG CA C 41 58.876 59.139 -0.263 1
1 393 . 20 1 1 A 41 41 ARG CB C 41 30.227 30.027 0.200 1
1 394 . 20 1 1 A 41 41 ARG N N 41 119.841 120.459 -0.618 1
1 395 . 20 1 1 A 42 42 CYS H H 42 8.061 7.851 0.210 1
1 396 . 20 1 1 A 42 42 CYS HA H 42 4.435 4.335 0.100 1
1 399 . 20 1 1 A 42 42 CYS CA C 42 60.508 63.047 -2.539 1
1 400 . 20 1 1 A 42 42 CYS CB C 42 27.409 27.350 0.059 1
1 401 . 20 1 1 A 42 42 CYS N N 42 116.220 117.605 -1.385 1
1 402 . 20 1 1 A 43 43 LYS H H 43 7.936 8.255 -0.319 1
1 403 . 20 1 1 A 43 43 LYS HA H 43 4.244 4.229 0.015 1
1 408 . 20 1 1 A 43 43 LYS CA C 43 57.480 58.039 -0.559 1
1 409 . 20 1 1 A 43 43 LYS CB C 43 32.888 32.509 0.379 1
1 410 . 20 1 1 A 43 43 LYS N N 43 120.337 120.007 0.330 1
1 411 . 20 1 1 A 44 44 PHE H H 44 7.966 8.848 -0.882 1
1 412 . 20 1 1 A 44 44 PHE HA H 44 4.664 4.316 0.348 1
1 417 . 20 1 1 A 44 44 PHE CA C 44 58.606 59.529 -0.923 1
1 418 . 20 1 1 A 44 44 PHE CB C 44 39.452 39.132 0.320 1
1 419 . 20 1 1 A 44 44 PHE N N 44 118.202 116.919 1.283 1
1 420 . 20 1 1 A 45 45 ASN H H 45 8.147 7.824 0.323 1
1 421 . 20 1 1 A 45 45 ASN HA H 45 4.771 4.987 -0.216 1
1 426 . 20 1 1 A 45 45 ASN CA C 45 53.951 52.597 1.354 1
1 427 . 20 1 1 A 45 45 ASN CB C 45 39.301 42.382 -3.081 1
1 428 . 20 1 1 A 45 45 ASN N N 45 118.296 113.607 4.689 1
1 430 . 20 1 1 A 46 46 GLN H H 46 8.209 8.952 -0.743 1
1 431 . 20 1 1 A 46 46 GLN HA H 46 4.344 4.205 0.139 1
1 436 . 20 1 1 A 46 46 GLN CA C 46 56.832 58.511 -1.679 1
1 437 . 20 1 1 A 46 46 GLN CB C 46 29.314 28.776 0.538 1
1 438 . 20 1 1 A 46 46 GLN N N 46 119.469 122.314 -2.845 1
1 439 . 20 1 1 A 47 47 GLN H H 47 8.221 8.096 0.125 1
1 440 . 20 1 1 A 47 47 GLN CA C 47 56.832 58.057 -1.225 1
1 441 . 20 1 1 A 47 47 GLN CB C 47 29.314 28.887 0.427 1
1 442 . 20 1 1 A 47 47 GLN N N 47 119.452 118.949 0.503 1
1 443 . 20 1 1 A 48 48 GLN H H 48 8.058 7.891 0.167 1
1 444 . 20 1 1 A 48 48 GLN HA H 48 4.394 4.089 0.305 1
1 449 . 20 1 1 A 48 48 GLN CA C 48 56.600 58.246 -1.646 1
1 450 . 20 1 1 A 48 48 GLN CB C 48 29.578 28.180 1.398 1
1 451 . 20 1 1 A 48 48 GLN N N 48 119.642 118.014 1.628 1
1 452 . 20 1 1 A 49 49 ARG H H 49 8.255 7.581 0.674 1
1 453 . 20 1 1 A 49 49 ARG HA H 49 4.475 4.090 0.385 1
1 460 . 20 1 1 A 49 49 ARG CA C 49 56.569 56.955 -0.386 1
1 461 . 20 1 1 A 49 49 ARG CB C 49 30.919 30.473 0.446 1
1 462 . 20 1 1 A 49 49 ARG N N 49 121.599 120.736 0.863 1
1 463 . 20 1 1 A 50 50 THR H H 50 8.113 8.482 -0.369 1
1 464 . 20 1 1 A 50 50 THR HA H 50 4.438 4.057 0.381 1
1 469 . 20 1 1 A 50 50 THR CA C 50 62.130 62.824 -0.694 1
1 470 . 20 1 1 A 50 50 THR CB C 50 70.380 66.688 3.692 1
1 471 . 20 1 1 A 50 50 THR N N 50 113.660 118.904 -5.244 1
1 472 . 20 1 1 A 51 51 GLY H H 51 8.296 8.218 0.078 1
1 473 . 20 1 1 A 51 51 GLY HA2 H 51 4.060 4.092 -0.032 1
1 474 . 20 1 1 A 51 51 GLY HA3 H 51 4.060 4.096 -0.036 1
1 475 . 20 1 1 A 51 51 GLY CA C 51 45.374 44.643 0.731 1
1 476 . 20 1 1 A 51 51 GLY N N 51 110.876 110.177 0.699 1
1 477 . 20 1 1 A 52 52 GLU H H 52 8.153 8.527 -0.374 1
1 478 . 20 1 1 A 52 52 GLU HA H 52 4.729 4.631 0.098 1
1 483 . 20 1 1 A 52 52 GLU CA C 52 54.072 54.587 -0.515 1
1 484 . 20 1 1 A 52 52 GLU CB C 52 29.347 28.709 0.638 1
1 485 . 20 1 1 A 52 52 GLU N N 52 120.834 122.059 -1.225 1
1 486 . 20 1 1 A 53 53 PRO HA H 53 4.495 4.430 0.065 1
1 493 . 20 1 1 A 53 53 PRO CA C 53 63.749 63.306 0.443 1
1 494 . 20 1 1 A 53 53 PRO CB C 53 32.309 32.216 0.093 1
1 495 . 20 1 1 A 54 54 ASP H H 54 8.402 8.419 -0.017 1
1 496 . 20 1 1 A 54 54 ASP HA H 54 4.677 5.311 -0.634 1
1 499 . 20 1 1 A 54 54 ASP CA C 54 54.210 52.242 1.968 1
1 500 . 20 1 1 A 54 54 ASP CB C 54 40.375 43.725 -3.350 1
1 501 . 20 1 1 A 54 54 ASP N N 54 119.287 118.324 0.963 1
1 502 . 20 1 1 A 55 55 GLU H H 55 8.249 8.812 -0.563 1
1 503 . 20 1 1 A 55 55 GLU HA H 55 4.650 4.652 -0.002 1
1 508 . 20 1 1 A 55 55 GLU CA C 55 56.397 55.093 1.304 1
1 509 . 20 1 1 A 55 55 GLU CB C 55 29.461 31.568 -2.107 1
1 510 . 20 1 1 A 55 55 GLU N N 55 120.671 119.414 1.257 1
1 511 . 20 1 1 A 56 56 GLU H H 56 8.257 8.490 -0.233 1
1 512 . 20 1 1 A 56 56 GLU HA H 56 4.396 4.064 0.332 1
1 517 . 20 1 1 A 56 56 GLU CA C 56 56.414 59.575 -3.161 1
1 518 . 20 1 1 A 56 56 GLU CB C 56 29.461 29.793 -0.332 1
1 519 . 20 1 1 A 56 56 GLU N N 56 119.852 120.967 -1.115 1
1 520 . 20 1 1 A 57 57 GLU H H 57 8.311 7.909 0.402 1
1 521 . 20 1 1 A 57 57 GLU HA H 57 4.453 4.586 -0.133 1
1 526 . 20 1 1 A 57 57 GLU CA C 57 56.350 55.460 0.890 1
1 527 . 20 1 1 A 57 57 GLU CB C 57 29.959 32.078 -2.119 1
1 528 . 20 1 1 A 57 57 GLU N N 57 121.046 118.015 3.031 1
1 529 . 20 1 1 A 58 58 GLY H H 58 8.407 8.815 -0.408 1
1 530 . 20 1 1 A 58 58 GLY HA2 H 58 4.190 4.332 -0.142 1
1 531 . 20 1 1 A 58 58 GLY HA3 H 58 4.190 4.437 -0.247 1
1 532 . 20 1 1 A 58 58 GLY CA C 58 45.841 44.864 0.977 1
1 533 . 20 1 1 A 58 58 GLY N N 58 109.873 109.827 0.046 1
1 534 . 20 1 1 A 59 59 THR H H 59 8.141 8.617 -0.476 1
1 535 . 20 1 1 A 59 59 THR HA H 59 4.348 3.974 0.374 1
1 540 . 20 1 1 A 59 59 THR CA C 59 63.622 63.381 0.241 1
1 541 . 20 1 1 A 59 59 THR CB C 59 70.393 66.825 3.568 1
1 542 . 20 1 1 A 59 59 THR N N 59 114.486 112.777 1.709 1
1 543 . 20 1 1 A 60 60 PHE H H 60 8.651 8.267 0.384 1
1 544 . 20 1 1 A 60 60 PHE HA H 60 4.439 4.249 0.190 1
1 549 . 20 1 1 A 60 60 PHE CA C 60 61.359 61.450 -0.091 1
1 550 . 20 1 1 A 60 60 PHE CB C 60 38.960 39.339 -0.379 1
1 551 . 20 1 1 A 60 60 PHE N N 60 123.173 122.227 0.946 1
1 552 . 20 1 1 A 61 61 ARG H H 61 8.247 8.211 0.036 1
1 553 . 20 1 1 A 61 61 ARG HA H 61 3.932 3.909 0.023 1
1 560 . 20 1 1 A 61 61 ARG CA C 61 59.472 60.141 -0.669 1
1 561 . 20 1 1 A 61 61 ARG CB C 61 30.162 29.829 0.333 1
1 562 . 20 1 1 A 61 61 ARG N N 61 118.197 119.140 -0.943 1
1 563 . 20 1 1 A 62 62 SER H H 62 8.098 8.273 -0.175 1
1 564 . 20 1 1 A 62 62 SER HA H 62 4.313 4.180 0.133 1
1 567 . 20 1 1 A 62 62 SER CA C 62 61.112 61.511 -0.399 1
1 568 . 20 1 1 A 62 62 SER CB C 62 63.426 62.409 1.017 1
1 569 . 20 1 1 A 62 62 SER N N 62 113.309 115.330 -2.021 1
1 570 . 20 1 1 A 63 63 SER H H 63 8.050 7.925 0.125 1
1 571 . 20 1 1 A 63 63 SER HA H 63 4.361 4.129 0.232 1
1 574 . 20 1 1 A 63 63 SER CA C 63 61.816 61.474 0.342 1
1 575 . 20 1 1 A 63 63 SER CB C 63 64.359 62.606 1.753 1
1 576 . 20 1 1 A 63 63 SER N N 63 118.744 115.870 2.874 1
1 577 . 20 1 1 A 64 64 ILE H H 64 7.813 7.963 -0.150 1
1 578 . 20 1 1 A 64 64 ILE HA H 64 3.936 3.717 0.219 1
1 588 . 20 1 1 A 64 64 ILE CA C 64 63.557 63.571 -0.014 1
1 589 . 20 1 1 A 64 64 ILE CB C 64 37.482 37.233 0.249 1
1 590 . 20 1 1 A 64 64 ILE N N 64 120.616 123.786 -3.170 1
1 591 . 20 1 1 A 65 65 ARG H H 65 7.863 7.767 0.096 1
1 592 . 20 1 1 A 65 65 ARG HA H 65 4.207 3.847 0.360 1
1 600 . 20 1 1 A 65 65 ARG CA C 65 58.617 59.123 -0.506 1
1 601 . 20 1 1 A 65 65 ARG CB C 65 30.088 29.789 0.299 1
1 602 . 20 1 1 A 65 65 ARG N N 65 120.278 122.450 -2.172 1
1 603 . 20 1 1 A 66 66 ARG H H 66 7.934 8.035 -0.101 1
1 604 . 20 1 1 A 66 66 ARG HA H 66 4.251 4.073 0.178 1
1 611 . 20 1 1 A 66 66 ARG CA C 66 58.512 58.680 -0.168 1
1 612 . 20 1 1 A 66 66 ARG CB C 66 30.618 29.950 0.668 1
1 613 . 20 1 1 A 66 66 ARG N N 66 119.070 117.543 1.527 1
1 614 . 20 1 1 A 67 67 LEU H H 67 8.014 8.045 -0.031 1
1 615 . 20 1 1 A 67 67 LEU HA H 67 4.259 4.051 0.208 1
1 625 . 20 1 1 A 67 67 LEU CA C 67 57.012 57.485 -0.473 1
1 626 . 20 1 1 A 67 67 LEU CB C 67 42.398 41.529 0.869 1
1 627 . 20 1 1 A 67 67 LEU N N 67 119.999 123.290 -3.291 1
1 628 . 20 1 1 A 68 68 SER H H 68 8.091 8.571 -0.480 1
1 629 . 20 1 1 A 68 68 SER HA H 68 4.352 4.202 0.150 1
1 632 . 20 1 1 A 68 68 SER CA C 68 60.421 62.405 -1.984 1
1 633 . 20 1 1 A 68 68 SER CB C 68 63.997 63.235 0.762 1
1 634 . 20 1 1 A 68 68 SER N N 68 113.037 116.264 -3.227 1
1 635 . 20 1 1 A 69 69 THR H H 69 7.765 7.175 0.590 1
1 640 . 20 1 1 A 69 69 THR CA C 69 63.075 64.889 -1.814 1
1 641 . 20 1 1 A 69 69 THR CB C 69 69.994 69.478 0.516 1
1 642 . 20 1 1 A 69 69 THR N N 69 113.132 115.883 -2.751 1
1 643 . 20 1 1 A 70 70 ARG H H 70 7.915 8.918 -1.003 1
1 644 . 20 1 1 A 70 70 ARG HA H 70 4.402 4.093 0.309 1
1 651 . 20 1 1 A 70 70 ARG CA C 70 57.068 59.601 -2.533 1
1 652 . 20 1 1 A 70 70 ARG CB C 70 30.778 30.584 0.194 1
1 653 . 20 1 1 A 70 70 ARG N N 70 121.113 121.156 -0.043 1
1 654 . 20 1 1 A 71 71 ARG H H 71 7.891 7.904 -0.013 1
1 655 . 20 1 1 A 71 71 ARG HA H 71 4.421 4.583 -0.162 1
1 662 . 20 1 1 A 71 71 ARG CA C 71 56.407 54.769 1.638 1
1 663 . 20 1 1 A 71 71 ARG CB C 71 31.156 33.224 -2.068 1
1 664 . 20 1 1 A 71 71 ARG N N 71 118.899 118.785 0.114 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 70 1.617 1
3 1 1 1 "RMS(OBS, PRED)" CB 64 6.060 1
4 1 1 1 "RMS(OBS, PRED)" H 66 0.422 1
5 1 1 1 "RMS(OBS, PRED)" HA 73 0.305 1
6 1 1 1 "RMS(OBS, PRED)" N 66 2.380 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 70 1.377 1
9 1 2 1 "RMS(OBS, PRED)" CB 64 5.898 1
10 1 2 1 "RMS(OBS, PRED)" H 66 0.480 1
11 1 2 1 "RMS(OBS, PRED)" HA 73 0.308 1
12 1 2 1 "RMS(OBS, PRED)" N 66 2.453 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 70 1.422 1
15 1 3 1 "RMS(OBS, PRED)" CB 64 5.997 1
16 1 3 1 "RMS(OBS, PRED)" H 66 0.458 1
17 1 3 1 "RMS(OBS, PRED)" HA 73 0.286 1
18 1 3 1 "RMS(OBS, PRED)" N 66 2.116 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 70 1.642 1
21 1 4 1 "RMS(OBS, PRED)" CB 64 5.914 1
22 1 4 1 "RMS(OBS, PRED)" H 66 0.439 1
23 1 4 1 "RMS(OBS, PRED)" HA 73 0.277 1
24 1 4 1 "RMS(OBS, PRED)" N 66 2.312 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 70 1.236 1
27 1 5 1 "RMS(OBS, PRED)" CB 64 5.946 1
28 1 5 1 "RMS(OBS, PRED)" H 66 0.453 1
29 1 5 1 "RMS(OBS, PRED)" HA 73 0.289 1
30 1 5 1 "RMS(OBS, PRED)" N 66 2.193 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 70 1.743 1
33 1 6 1 "RMS(OBS, PRED)" CB 64 5.982 1
34 1 6 1 "RMS(OBS, PRED)" H 66 0.461 1
35 1 6 1 "RMS(OBS, PRED)" HA 73 0.297 1
36 1 6 1 "RMS(OBS, PRED)" N 66 1.956 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 70 1.559 1
39 1 7 1 "RMS(OBS, PRED)" CB 64 6.019 1
40 1 7 1 "RMS(OBS, PRED)" H 66 0.455 1
41 1 7 1 "RMS(OBS, PRED)" HA 73 0.274 1
42 1 7 1 "RMS(OBS, PRED)" N 66 1.999 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 70 1.628 1
45 1 8 1 "RMS(OBS, PRED)" CB 64 5.937 1
46 1 8 1 "RMS(OBS, PRED)" H 66 0.460 1
47 1 8 1 "RMS(OBS, PRED)" HA 73 0.257 1
48 1 8 1 "RMS(OBS, PRED)" N 66 2.227 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 70 1.674 1
51 1 9 1 "RMS(OBS, PRED)" CB 64 6.006 1
52 1 9 1 "RMS(OBS, PRED)" H 66 0.429 1
53 1 9 1 "RMS(OBS, PRED)" HA 73 0.309 1
54 1 9 1 "RMS(OBS, PRED)" N 66 2.305 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 70 1.398 1
57 1 10 1 "RMS(OBS, PRED)" CB 64 5.935 1
58 1 10 1 "RMS(OBS, PRED)" H 66 0.529 1
59 1 10 1 "RMS(OBS, PRED)" HA 73 0.304 1
60 1 10 1 "RMS(OBS, PRED)" N 66 2.185 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 70 1.408 1
63 1 11 1 "RMS(OBS, PRED)" CB 64 5.864 1
64 1 11 1 "RMS(OBS, PRED)" H 66 0.474 1
65 1 11 1 "RMS(OBS, PRED)" HA 73 0.314 1
66 1 11 1 "RMS(OBS, PRED)" N 66 2.741 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 70 1.391 1
69 1 12 1 "RMS(OBS, PRED)" CB 64 5.996 1
70 1 12 1 "RMS(OBS, PRED)" H 66 0.434 1
71 1 12 1 "RMS(OBS, PRED)" HA 73 0.259 1
72 1 12 1 "RMS(OBS, PRED)" N 66 2.272 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 70 1.558 1
75 1 13 1 "RMS(OBS, PRED)" CB 64 5.974 1
76 1 13 1 "RMS(OBS, PRED)" H 66 0.448 1
77 1 13 1 "RMS(OBS, PRED)" HA 73 0.292 1
78 1 13 1 "RMS(OBS, PRED)" N 66 2.410 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 70 1.353 1
81 1 14 1 "RMS(OBS, PRED)" CB 64 5.992 1
82 1 14 1 "RMS(OBS, PRED)" H 66 0.435 1
83 1 14 1 "RMS(OBS, PRED)" HA 73 0.250 1
84 1 14 1 "RMS(OBS, PRED)" N 66 2.301 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 70 1.385 1
87 1 15 1 "RMS(OBS, PRED)" CB 64 5.953 1
88 1 15 1 "RMS(OBS, PRED)" H 66 0.534 1
89 1 15 1 "RMS(OBS, PRED)" HA 73 0.260 1
90 1 15 1 "RMS(OBS, PRED)" N 66 2.649 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 70 1.568 1
93 1 16 1 "RMS(OBS, PRED)" CB 64 5.974 1
94 1 16 1 "RMS(OBS, PRED)" H 66 0.434 1
95 1 16 1 "RMS(OBS, PRED)" HA 73 0.316 1
96 1 16 1 "RMS(OBS, PRED)" N 66 2.485 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 70 1.638 1
99 1 17 1 "RMS(OBS, PRED)" CB 64 5.992 1
100 1 17 1 "RMS(OBS, PRED)" H 66 0.413 1
101 1 17 1 "RMS(OBS, PRED)" HA 73 0.267 1
102 1 17 1 "RMS(OBS, PRED)" N 66 2.292 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 70 1.416 1
105 1 18 1 "RMS(OBS, PRED)" CB 64 5.909 1
106 1 18 1 "RMS(OBS, PRED)" H 66 0.390 1
107 1 18 1 "RMS(OBS, PRED)" HA 73 0.272 1
108 1 18 1 "RMS(OBS, PRED)" N 66 2.355 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 70 1.665 1
111 1 19 1 "RMS(OBS, PRED)" CB 64 6.041 1
112 1 19 1 "RMS(OBS, PRED)" H 66 0.433 1
113 1 19 1 "RMS(OBS, PRED)" HA 73 0.353 1
114 1 19 1 "RMS(OBS, PRED)" N 66 2.202 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 70 1.284 1
117 1 20 1 "RMS(OBS, PRED)" CB 64 5.983 1
118 1 20 1 "RMS(OBS, PRED)" H 66 0.460 1
119 1 20 1 "RMS(OBS, PRED)" HA 73 0.249 1
120 1 20 1 "RMS(OBS, PRED)" N 66 2.237 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 8 . 1 1 A 2 2 SER H H 2 8.707 8.123 0.584 2
1 9 . 1 1 A 2 2 SER HA H 2 4.638 4.687 -0.049 2
1 12 . 1 1 A 2 2 SER CA C 2 56.699 57.047 -0.348 2
1 13 . 1 1 A 2 2 SER CB C 2 63.978 63.703 0.275 2
1 14 . 1 1 A 2 2 SER N N 2 118.975 115.466 3.509 2
1 15 . 1 1 A 3 3 PRO HA H 3 4.533 4.387 0.146 2
1 22 . 1 1 A 3 3 PRO CA C 3 64.301 64.319 -0.018 2
1 23 . 1 1 A 3 3 PRO CB C 3 32.998 31.767 1.231 2
1 24 . 1 1 A 4 4 LYS H H 4 8.117 8.431 -0.314 2
1 25 . 1 1 A 4 4 LYS HA H 4 4.314 4.065 0.249 2
1 32 . 1 1 A 4 4 LYS CA C 4 56.918 58.024 -1.106 2
1 33 . 1 1 A 4 4 LYS CB C 4 33.010 32.294 0.716 2
1 34 . 1 1 A 4 4 LYS N N 4 118.277 117.005 1.272 2
1 35 . 1 1 A 5 5 GLU HA H 5 4.302 4.337 -0.035 2
1 40 . 1 1 A 5 5 GLU CA C 5 56.505 56.242 0.263 2
1 41 . 1 1 A 5 5 GLU CB C 5 38.736 30.428 8.308 2
1 42 . 1 1 A 6 6 HIS H H 6 8.075 8.430 -0.355 2
1 43 . 1 1 A 6 6 HIS HA H 6 4.352 4.898 -0.546 2
1 47 . 1 1 A 6 6 HIS CA C 6 55.000 55.690 -0.690 2
1 48 . 1 1 A 6 6 HIS CB C 6 29.504 31.646 -2.142 2
1 49 . 1 1 A 6 6 HIS N N 6 117.435 120.017 -2.582 2
1 50 . 1 1 A 7 7 ASP H H 7 8.249 8.704 -0.455 2
1 51 . 1 1 A 7 7 ASP HA H 7 4.796 4.742 0.054 2
1 54 . 1 1 A 7 7 ASP CA C 7 51.877 55.064 -3.187 2
1 55 . 1 1 A 7 7 ASP CB C 7 39.384 40.270 -0.886 2
1 56 . 1 1 A 7 7 ASP N N 7 120.163 121.815 -1.652 2
1 57 . 1 1 A 8 8 PRO HA H 8 4.458 4.507 -0.049 2
1 64 . 1 1 A 8 8 PRO CA C 8 63.863 64.613 -0.750 2
1 65 . 1 1 A 8 8 PRO CB C 8 32.512 31.669 0.843 2
1 66 . 1 1 A 9 9 PHE H H 9 7.959 7.994 -0.035 2
1 67 . 1 1 A 9 9 PHE HA H 9 4.783 4.292 0.491 2
1 72 . 1 1 A 9 9 PHE CA C 9 58.261 60.983 -2.722 2
1 73 . 1 1 A 9 9 PHE CB C 9 39.190 39.414 -0.224 2
1 74 . 1 1 A 9 9 PHE N N 9 118.640 118.885 -0.245 2
1 75 . 1 1 A 10 10 THR H H 10 7.897 7.983 -0.086 2
1 76 . 1 1 A 10 10 THR HA H 10 4.440 4.115 0.325 2
1 81 . 1 1 A 10 10 THR CA C 10 62.056 64.933 -2.877 2
1 82 . 1 1 A 10 10 THR CB C 10 70.112 69.127 0.985 2
1 83 . 1 1 A 10 10 THR N N 10 112.714 113.432 -0.718 2
1 84 . 1 1 A 11 11 TYR H H 11 7.615 8.088 -0.473 2
1 85 . 1 1 A 11 11 TYR HA H 11 4.471 5.115 -0.644 2
1 90 . 1 1 A 11 11 TYR CA C 11 58.365 56.706 1.659 2
1 91 . 1 1 A 11 11 TYR CB C 11 70.116 41.364 28.752 2
1 92 . 1 1 A 11 11 TYR N N 11 122.022 118.407 3.615 2
1 93 . 1 1 A 12 12 ASP H H 12 7.954 8.937 -0.983 2
1 94 . 1 1 A 12 12 ASP HA H 12 4.800 4.660 0.140 2
1 97 . 1 1 A 12 12 ASP CA C 12 53.013 54.727 -1.714 2
1 98 . 1 1 A 12 12 ASP CB C 12 39.384 41.464 -2.080 2
1 99 . 1 1 A 12 12 ASP N N 12 121.560 124.107 -2.547 2
1 100 . 1 1 A 13 13 TYR H H 13 7.949 7.992 -0.043 2
1 101 . 1 1 A 13 13 TYR HA H 13 4.435 4.668 -0.233 2
1 106 . 1 1 A 13 13 TYR CA C 13 59.555 58.301 1.254 2
1 107 . 1 1 A 13 13 TYR CB C 13 39.589 37.736 1.853 2
1 108 . 1 1 A 13 13 TYR N N 13 121.914 118.447 3.468 2
1 109 . 1 1 A 14 14 GLN H H 14 8.173 8.041 0.132 2
1 110 . 1 1 A 14 14 GLN HA H 14 4.222 4.023 0.199 2
1 115 . 1 1 A 14 14 GLN CA C 14 57.621 59.109 -1.488 2
1 116 . 1 1 A 14 14 GLN CB C 14 28.821 28.356 0.465 2
1 117 . 1 1 A 14 14 GLN N N 14 119.118 121.766 -2.648 2
1 118 . 1 1 A 15 15 SER H H 15 7.888 8.279 -0.391 2
1 119 . 1 1 A 15 15 SER HA H 15 4.485 4.323 0.162 2
1 122 . 1 1 A 15 15 SER CA C 15 59.326 61.342 -2.016 2
1 123 . 1 1 A 15 15 SER CB C 15 64.123 62.913 1.210 2
1 124 . 1 1 A 15 15 SER N N 15 114.275 114.931 -0.656 2
1 125 . 1 1 A 16 16 LEU H H 16 7.791 8.179 -0.388 2
1 126 . 1 1 A 16 16 LEU HA H 16 4.430 4.214 0.216 2
1 136 . 1 1 A 16 16 LEU CA C 16 55.849 56.451 -0.602 2
1 137 . 1 1 A 16 16 LEU CB C 16 43.036 42.147 0.889 2
1 138 . 1 1 A 16 16 LEU N N 16 122.606 123.701 -1.095 2
1 139 . 1 1 A 17 17 GLN H H 17 8.281 7.975 0.306 2
1 140 . 1 1 A 17 17 GLN HA H 17 4.426 4.084 0.342 2
1 145 . 1 1 A 17 17 GLN CA C 17 56.500 58.578 -2.079 2
1 146 . 1 1 A 17 17 GLN CB C 17 29.338 28.709 0.629 2
1 147 . 1 1 A 17 17 GLN N N 17 120.232 118.397 1.835 2
1 148 . 1 1 A 18 18 ILE H H 18 7.807 7.819 -0.012 2
1 149 . 1 1 A 18 18 ILE HA H 18 4.238 4.189 0.049 2
1 159 . 1 1 A 18 18 ILE CA C 18 61.932 62.326 -0.394 2
1 160 . 1 1 A 18 18 ILE CB C 18 38.997 38.369 0.628 2
1 161 . 1 1 A 18 18 ILE N N 18 118.727 118.760 -0.033 2
1 162 . 1 1 A 19 19 GLY H H 19 8.106 8.142 -0.036 2
1 163 . 1 1 A 19 19 GLY HA2 H 19 4.054 3.722 0.332 2
1 164 . 1 1 A 19 19 GLY HA3 H 19 4.054 3.727 0.327 2
1 165 . 1 1 A 19 19 GLY CA C 19 46.338 47.299 -0.961 2
1 166 . 1 1 A 19 19 GLY N N 19 109.552 109.932 -0.380 2
1 167 . 1 1 A 20 20 GLY H H 20 8.305 8.539 -0.234 2
1 168 . 1 1 A 20 20 GLY HA2 H 20 3.877 3.836 0.041 2
1 169 . 1 1 A 20 20 GLY HA3 H 20 3.877 3.841 0.036 2
1 170 . 1 1 A 20 20 GLY CA C 20 47.746 47.010 0.736 2
1 171 . 1 1 A 20 20 GLY N N 20 107.332 108.356 -1.024 2
1 172 . 1 1 A 21 21 LEU H H 21 8.046 8.034 0.012 2
1 173 . 1 1 A 21 21 LEU HA H 21 4.172 4.014 0.158 2
1 183 . 1 1 A 21 21 LEU CA C 21 58.140 57.715 0.425 2
1 184 . 1 1 A 21 21 LEU CB C 21 41.812 41.866 -0.054 2
1 185 . 1 1 A 21 21 LEU N N 21 119.906 123.017 -3.111 2
1 186 . 1 1 A 22 22 VAL H H 22 7.716 8.271 -0.555 2
1 187 . 1 1 A 22 22 VAL HA H 22 3.691 3.472 0.219 2
1 195 . 1 1 A 22 22 VAL CA C 22 66.872 66.959 -0.087 2
1 196 . 1 1 A 22 22 VAL CB C 22 67.290 31.722 35.568 2
1 197 . 1 1 A 22 22 VAL N N 22 117.489 117.498 -0.009 2
1 198 . 1 1 A 23 23 ILE H H 23 7.707 8.007 -0.300 2
1 199 . 1 1 A 23 23 ILE HA H 23 3.679 3.729 -0.050 2
1 208 . 1 1 A 23 23 ILE CA C 23 65.219 65.036 0.183 2
1 209 . 1 1 A 23 23 ILE CB C 23 39.538 37.949 1.589 2
1 210 . 1 1 A 23 23 ILE N N 23 117.900 118.585 -0.685 2
1 211 . 1 1 A 24 24 ALA H H 24 8.248 8.504 -0.256 2
1 215 . 1 1 A 24 24 ALA CA C 24 55.723 55.322 0.401 2
1 216 . 1 1 A 24 24 ALA CB C 24 18.223 18.475 -0.252 2
1 217 . 1 1 A 24 24 ALA N N 24 120.166 123.348 -3.182 2
1 218 . 1 1 A 25 25 GLY H H 25 8.482 8.109 0.373 2
1 219 . 1 1 A 25 25 GLY HA2 H 25 3.781 3.807 -0.026 2
1 220 . 1 1 A 25 25 GLY HA3 H 25 3.692 3.831 -0.139 2
1 221 . 1 1 A 25 25 GLY CA C 25 47.860 47.397 0.463 2
1 222 . 1 1 A 25 25 GLY N N 25 103.943 106.023 -2.080 2
1 223 . 1 1 A 26 26 ILE H H 26 8.401 7.862 0.539 2
1 224 . 1 1 A 26 26 ILE HA H 26 3.715 3.853 -0.138 2
1 229 . 1 1 A 26 26 ILE CA C 26 65.719 64.530 1.189 2
1 230 . 1 1 A 26 26 ILE CB C 26 38.043 37.598 0.445 2
1 231 . 1 1 A 26 26 ILE N N 26 120.944 122.485 -1.541 2
1 232 . 1 1 A 27 27 LEU H H 27 8.303 8.025 0.278 2
1 233 . 1 1 A 27 27 LEU HA H 27 4.011 3.994 0.017 2
1 243 . 1 1 A 27 27 LEU CA C 27 58.586 58.313 0.273 2
1 244 . 1 1 A 27 27 LEU CB C 27 41.728 41.829 -0.101 2
1 245 . 1 1 A 27 27 LEU N N 27 118.806 121.284 -2.478 2
1 246 . 1 1 A 28 28 PHE H H 28 8.568 7.924 0.644 2
1 247 . 1 1 A 28 28 PHE HA H 28 4.238 4.217 0.021 2
1 252 . 1 1 A 28 28 PHE CA C 28 61.596 61.214 0.382 2
1 253 . 1 1 A 28 28 PHE CB C 28 39.690 38.747 0.943 2
1 254 . 1 1 A 28 28 PHE N N 28 118.499 117.554 0.945 2
1 255 . 1 1 A 29 29 ILE H H 29 8.247 8.483 -0.236 2
1 256 . 1 1 A 29 29 ILE HA H 29 3.607 3.702 -0.095 2
1 263 . 1 1 A 29 29 ILE CA C 29 65.048 65.072 -0.024 2
1 264 . 1 1 A 29 29 ILE CB C 29 37.293 37.791 -0.498 2
1 265 . 1 1 A 29 29 ILE N N 29 117.892 120.395 -2.503 2
1 266 . 1 1 A 30 30 LEU H H 30 8.624 8.603 0.021 2
1 267 . 1 1 A 30 30 LEU HA H 30 4.012 4.011 0.001 2
1 277 . 1 1 A 30 30 LEU CA C 30 58.624 57.885 0.739 2
1 278 . 1 1 A 30 30 LEU CB C 30 42.011 41.691 0.320 2
1 279 . 1 1 A 30 30 LEU N N 30 119.146 121.094 -1.947 2
1 280 . 1 1 A 31 31 GLY H H 31 8.754 8.392 0.362 2
1 281 . 1 1 A 31 31 GLY HA2 H 31 3.643 3.652 -0.009 2
1 282 . 1 1 A 31 31 GLY HA3 H 31 3.643 3.711 -0.067 2
1 283 . 1 1 A 31 31 GLY CA C 31 48.068 47.379 0.689 2
1 284 . 1 1 A 31 31 GLY N N 31 106.000 106.823 -0.823 2
1 285 . 1 1 A 32 32 ILE H H 32 8.303 8.495 -0.192 2
1 286 . 1 1 A 32 32 ILE HA H 32 3.622 3.774 -0.152 2
1 296 . 1 1 A 32 32 ILE CA C 32 65.126 64.593 0.533 2
1 297 . 1 1 A 32 32 ILE CB C 32 39.126 37.859 1.267 2
1 298 . 1 1 A 32 32 ILE N N 32 120.840 122.424 -1.584 2
1 299 . 1 1 A 33 33 LEU H H 33 8.388 8.057 0.331 2
1 300 . 1 1 A 33 33 LEU HA H 33 4.042 4.029 0.013 2
1 310 . 1 1 A 33 33 LEU CA C 33 58.672 58.068 0.604 2
1 311 . 1 1 A 33 33 LEU CB C 33 40.359 41.583 -1.224 2
1 312 . 1 1 A 33 33 LEU N N 33 119.523 119.365 0.158 2
1 313 . 1 1 A 34 34 ILE H H 34 8.703 8.685 0.018 2
1 314 . 1 1 A 34 34 ILE HA H 34 3.685 3.543 0.142 2
1 319 . 1 1 A 34 34 ILE CA C 34 66.120 65.403 0.717 2
1 320 . 1 1 A 34 34 ILE CB C 34 37.627 37.719 -0.092 2
1 321 . 1 1 A 34 34 ILE N N 34 120.906 119.717 1.189 2
1 322 . 1 1 A 35 35 VAL H H 35 8.359 8.110 0.249 2
1 323 . 1 1 A 35 35 VAL HA H 35 3.690 3.598 0.092 2
1 331 . 1 1 A 35 35 VAL CA C 35 67.546 66.745 0.801 2
1 332 . 1 1 A 35 35 VAL CB C 35 31.619 31.786 -0.167 2
1 333 . 1 1 A 35 35 VAL N N 35 120.794 119.202 1.592 2
1 334 . 1 1 A 36 36 LEU H H 36 9.002 8.147 0.855 2
1 335 . 1 1 A 36 36 LEU HA H 36 4.095 4.037 0.058 2
1 345 . 1 1 A 36 36 LEU CA C 36 58.589 57.778 0.811 2
1 346 . 1 1 A 36 36 LEU CB C 36 42.017 40.859 1.158 2
1 347 . 1 1 A 36 36 LEU N N 36 119.433 118.172 1.261 2
1 348 . 1 1 A 37 37 SER H H 37 8.585 8.200 0.385 2
1 349 . 1 1 A 37 37 SER HA H 37 4.632 4.110 0.522 2
1 352 . 1 1 A 37 37 SER CA C 37 62.896 61.946 0.950 2
1 353 . 1 1 A 37 37 SER CB C 37 63.973 62.806 1.167 2
1 354 . 1 1 A 37 37 SER N N 37 115.400 114.528 0.872 2
1 355 . 1 1 A 38 38 ARG H H 38 8.180 7.857 0.323 2
1 356 . 1 1 A 38 38 ARG HA H 38 4.218 4.099 0.119 2
1 363 . 1 1 A 38 38 ARG CA C 38 59.259 59.272 -0.013 2
1 364 . 1 1 A 38 38 ARG CB C 38 30.751 29.954 0.797 2
1 365 . 1 1 A 38 38 ARG N N 38 121.516 122.102 -0.586 2
1 366 . 1 1 A 39 39 ARG H H 39 8.362 7.774 0.588 2
1 367 . 1 1 A 39 39 ARG HA H 39 4.373 4.060 0.313 2
1 374 . 1 1 A 39 39 ARG CA C 39 58.095 59.119 -1.024 2
1 375 . 1 1 A 39 39 ARG CB C 39 30.581 29.943 0.638 2
1 376 . 1 1 A 39 39 ARG N N 39 117.803 119.024 -1.221 2
1 377 . 1 1 A 40 40 CYS H H 40 8.423 8.201 0.222 2
1 378 . 1 1 A 40 40 CYS HA H 40 4.447 4.159 0.288 2
1 381 . 1 1 A 40 40 CYS CA C 40 61.514 62.783 -1.269 2
1 382 . 1 1 A 40 40 CYS CB C 40 28.091 26.837 1.254 2
1 383 . 1 1 A 40 40 CYS N N 40 116.351 118.756 -2.405 2
1 384 . 1 1 A 41 41 ARG H H 41 8.095 8.149 -0.054 2
1 385 . 1 1 A 41 41 ARG HA H 41 4.204 4.104 0.099 2
1 392 . 1 1 A 41 41 ARG CA C 41 58.876 59.507 -0.631 2
1 393 . 1 1 A 41 41 ARG CB C 41 30.227 30.084 0.143 2
1 394 . 1 1 A 41 41 ARG N N 41 119.841 120.595 -0.754 2
1 395 . 1 1 A 42 42 CYS H H 42 8.061 7.944 0.117 2
1 396 . 1 1 A 42 42 CYS HA H 42 4.435 4.303 0.132 2
1 399 . 1 1 A 42 42 CYS CA C 42 60.508 63.597 -3.089 2
1 400 . 1 1 A 42 42 CYS CB C 42 27.409 27.271 0.138 2
1 401 . 1 1 A 42 42 CYS N N 42 116.220 118.053 -1.833 2
1 402 . 1 1 A 43 43 LYS H H 43 7.936 8.262 -0.326 2
1 403 . 1 1 A 43 43 LYS HA H 43 4.244 4.143 0.101 2
1 408 . 1 1 A 43 43 LYS CA C 43 57.480 58.340 -0.860 2
1 409 . 1 1 A 43 43 LYS CB C 43 32.888 32.207 0.681 2
1 410 . 1 1 A 43 43 LYS N N 43 120.337 120.421 -0.084 2
1 411 . 1 1 A 44 44 PHE H H 44 7.966 8.649 -0.683 2
1 412 . 1 1 A 44 44 PHE HA H 44 4.664 4.167 0.497 2
1 417 . 1 1 A 44 44 PHE CA C 44 58.606 60.764 -2.158 2
1 418 . 1 1 A 44 44 PHE CB C 44 39.452 39.292 0.160 2
1 419 . 1 1 A 44 44 PHE N N 44 118.202 120.157 -1.956 2
1 420 . 1 1 A 45 45 ASN H H 45 8.147 7.689 0.458 2
1 421 . 1 1 A 45 45 ASN HA H 45 4.771 4.640 0.131 2
1 426 . 1 1 A 45 45 ASN CA C 45 53.951 52.519 1.432 2
1 427 . 1 1 A 45 45 ASN CB C 45 39.301 39.183 0.118 2
1 428 . 1 1 A 45 45 ASN N N 45 118.296 115.367 2.929 2
1 430 . 1 1 A 46 46 GLN H H 46 8.209 8.457 -0.248 2
1 431 . 1 1 A 46 46 GLN HA H 46 4.344 4.037 0.307 2
1 436 . 1 1 A 46 46 GLN CA C 46 56.832 58.881 -2.049 2
1 437 . 1 1 A 46 46 GLN CB C 46 29.314 28.323 0.991 2
1 438 . 1 1 A 46 46 GLN N N 46 119.469 123.565 -4.096 2
1 439 . 1 1 A 47 47 GLN H H 47 8.221 8.063 0.158 2
1 440 . 1 1 A 47 47 GLN CA C 47 56.832 58.862 -2.030 2
1 441 . 1 1 A 47 47 GLN CB C 47 29.314 28.375 0.939 2
1 442 . 1 1 A 47 47 GLN N N 47 119.452 119.039 0.413 2
1 443 . 1 1 A 48 48 GLN H H 48 8.058 7.779 0.279 2
1 444 . 1 1 A 48 48 GLN HA H 48 4.394 4.151 0.243 2
1 449 . 1 1 A 48 48 GLN CA C 48 56.600 58.292 -1.692 2
1 450 . 1 1 A 48 48 GLN CB C 48 29.578 28.946 0.632 2
1 451 . 1 1 A 48 48 GLN N N 48 119.642 118.427 1.215 2
1 452 . 1 1 A 49 49 ARG H H 49 8.255 7.557 0.698 2
1 453 . 1 1 A 49 49 ARG HA H 49 4.475 4.535 -0.060 2
1 460 . 1 1 A 49 49 ARG CA C 49 56.569 55.825 0.744 2
1 461 . 1 1 A 49 49 ARG CB C 49 30.919 31.836 -0.917 2
1 462 . 1 1 A 49 49 ARG N N 49 121.599 117.949 3.650 2
1 463 . 1 1 A 50 50 THR H H 50 8.113 8.402 -0.289 2
1 464 . 1 1 A 50 50 THR HA H 50 4.438 4.602 -0.164 2
1 469 . 1 1 A 50 50 THR CA C 50 62.130 61.716 0.414 2
1 470 . 1 1 A 50 50 THR CB C 50 70.380 70.103 0.277 2
1 471 . 1 1 A 50 50 THR N N 50 113.660 115.798 -2.138 2
1 472 . 1 1 A 51 51 GLY H H 51 8.296 8.323 -0.027 2
1 473 . 1 1 A 51 51 GLY HA2 H 51 4.060 4.086 -0.026 2
1 474 . 1 1 A 51 51 GLY HA3 H 51 4.060 4.093 -0.033 2
1 475 . 1 1 A 51 51 GLY CA C 51 45.374 45.736 -0.362 2
1 476 . 1 1 A 51 51 GLY N N 51 110.876 110.791 0.085 2
1 477 . 1 1 A 52 52 GLU H H 52 8.153 8.423 -0.270 2
1 478 . 1 1 A 52 52 GLU HA H 52 4.729 4.745 -0.016 2
1 483 . 1 1 A 52 52 GLU CA C 52 54.072 53.826 0.246 2
1 484 . 1 1 A 52 52 GLU CB C 52 29.347 30.076 -0.729 2
1 485 . 1 1 A 52 52 GLU N N 52 120.834 121.724 -0.890 2
1 486 . 1 1 A 53 53 PRO HA H 53 4.495 4.430 0.065 2
1 493 . 1 1 A 53 53 PRO CA C 53 63.749 63.347 0.402 2
1 494 . 1 1 A 53 53 PRO CB C 53 32.309 32.352 -0.043 2
1 495 . 1 1 A 54 54 ASP H H 54 8.402 8.540 -0.138 2
1 496 . 1 1 A 54 54 ASP HA H 54 4.677 4.724 -0.047 2
1 499 . 1 1 A 54 54 ASP CA C 54 54.210 54.195 0.015 2
1 500 . 1 1 A 54 54 ASP CB C 54 40.375 41.808 -1.433 2
1 501 . 1 1 A 54 54 ASP N N 54 119.287 119.329 -0.042 2
1 502 . 1 1 A 55 55 GLU H H 55 8.249 8.638 -0.389 2
1 503 . 1 1 A 55 55 GLU HA H 55 4.650 4.399 0.251 2
1 508 . 1 1 A 55 55 GLU CA C 55 56.397 56.987 -0.590 2
1 509 . 1 1 A 55 55 GLU CB C 55 29.461 30.271 -0.810 2
1 510 . 1 1 A 55 55 GLU N N 55 120.671 120.860 -0.189 2
1 511 . 1 1 A 56 56 GLU H H 56 8.257 8.457 -0.200 2
1 512 . 1 1 A 56 56 GLU HA H 56 4.396 4.284 0.112 2
1 517 . 1 1 A 56 56 GLU CA C 56 56.414 57.261 -0.847 2
1 518 . 1 1 A 56 56 GLU CB C 56 29.461 29.939 -0.478 2
1 519 . 1 1 A 56 56 GLU N N 56 119.852 121.003 -1.151 2
1 520 . 1 1 A 57 57 GLU H H 57 8.311 8.361 -0.050 2
1 521 . 1 1 A 57 57 GLU HA H 57 4.453 4.383 0.070 2
1 526 . 1 1 A 57 57 GLU CA C 57 56.350 56.954 -0.604 2
1 527 . 1 1 A 57 57 GLU CB C 57 29.959 30.329 -0.370 2
1 528 . 1 1 A 57 57 GLU N N 57 121.046 119.808 1.238 2
1 529 . 1 1 A 58 58 GLY H H 58 8.407 8.309 0.098 2
1 530 . 1 1 A 58 58 GLY HA2 H 58 4.190 3.732 0.458 2
1 531 . 1 1 A 58 58 GLY HA3 H 58 4.190 3.993 0.197 2
1 532 . 1 1 A 58 58 GLY CA C 58 45.841 45.217 0.624 2
1 533 . 1 1 A 58 58 GLY N N 58 109.873 110.098 -0.225 2
1 534 . 1 1 A 59 59 THR H H 59 8.141 7.764 0.377 2
1 535 . 1 1 A 59 59 THR HA H 59 4.348 4.038 0.310 2
1 540 . 1 1 A 59 59 THR CA C 59 63.622 62.469 1.153 2
1 541 . 1 1 A 59 59 THR CB C 59 70.393 68.908 1.485 2
1 542 . 1 1 A 59 59 THR N N 59 114.486 115.032 -0.546 2
1 543 . 1 1 A 60 60 PHE H H 60 8.651 8.269 0.382 2
1 544 . 1 1 A 60 60 PHE HA H 60 4.439 4.062 0.377 2
1 549 . 1 1 A 60 60 PHE CA C 60 61.359 61.384 -0.025 2
1 550 . 1 1 A 60 60 PHE CB C 60 38.960 38.906 0.054 2
1 551 . 1 1 A 60 60 PHE N N 60 123.173 122.381 0.792 2
1 552 . 1 1 A 61 61 ARG H H 61 8.247 8.113 0.134 2
1 553 . 1 1 A 61 61 ARG HA H 61 3.932 3.943 -0.011 2
1 560 . 1 1 A 61 61 ARG CA C 61 59.472 59.910 -0.438 2
1 561 . 1 1 A 61 61 ARG CB C 61 30.162 29.880 0.282 2
1 562 . 1 1 A 61 61 ARG N N 61 118.197 118.906 -0.709 2
1 563 . 1 1 A 62 62 SER H H 62 8.098 7.999 0.099 2
1 564 . 1 1 A 62 62 SER HA H 62 4.313 4.153 0.160 2
1 567 . 1 1 A 62 62 SER CA C 62 61.112 61.624 -0.512 2
1 568 . 1 1 A 62 62 SER CB C 62 63.426 62.678 0.748 2
1 569 . 1 1 A 62 62 SER N N 62 113.309 116.151 -2.842 2
1 570 . 1 1 A 63 63 SER H H 63 8.050 7.825 0.225 2
1 571 . 1 1 A 63 63 SER HA H 63 4.361 4.117 0.244 2
1 574 . 1 1 A 63 63 SER CA C 63 61.816 61.581 0.235 2
1 575 . 1 1 A 63 63 SER CB C 63 64.359 62.627 1.732 2
1 576 . 1 1 A 63 63 SER N N 63 118.744 116.020 2.724 2
1 577 . 1 1 A 64 64 ILE H H 64 7.813 7.667 0.146 2
1 578 . 1 1 A 64 64 ILE HA H 64 3.936 3.669 0.267 2
1 588 . 1 1 A 64 64 ILE CA C 64 63.557 64.522 -0.965 2
1 589 . 1 1 A 64 64 ILE CB C 64 37.482 37.142 0.340 2
1 590 . 1 1 A 64 64 ILE N N 64 120.616 121.838 -1.222 2
1 591 . 1 1 A 65 65 ARG H H 65 7.863 7.956 -0.093 2
1 592 . 1 1 A 65 65 ARG HA H 65 4.207 3.898 0.309 2
1 600 . 1 1 A 65 65 ARG CA C 65 58.617 59.423 -0.806 2
1 601 . 1 1 A 65 65 ARG CB C 65 30.088 29.771 0.317 2
1 602 . 1 1 A 65 65 ARG N N 65 120.278 121.553 -1.275 2
1 603 . 1 1 A 66 66 ARG H H 66 7.934 7.780 0.154 2
1 604 . 1 1 A 66 66 ARG HA H 66 4.251 4.070 0.181 2
1 611 . 1 1 A 66 66 ARG CA C 66 58.512 58.880 -0.368 2
1 612 . 1 1 A 66 66 ARG CB C 66 30.618 29.956 0.662 2
1 613 . 1 1 A 66 66 ARG N N 66 119.070 119.159 -0.089 2
1 614 . 1 1 A 67 67 LEU H H 67 8.014 8.229 -0.215 2
1 615 . 1 1 A 67 67 LEU HA H 67 4.259 4.084 0.175 2
1 625 . 1 1 A 67 67 LEU CA C 67 57.012 57.481 -0.469 2
1 626 . 1 1 A 67 67 LEU CB C 67 42.398 41.234 1.164 2
1 627 . 1 1 A 67 67 LEU N N 67 119.999 120.962 -0.963 2
1 628 . 1 1 A 68 68 SER H H 68 8.091 8.382 -0.291 2
1 629 . 1 1 A 68 68 SER HA H 68 4.352 4.197 0.156 2
1 632 . 1 1 A 68 68 SER CA C 68 60.421 61.641 -1.220 2
1 633 . 1 1 A 68 68 SER CB C 68 63.997 62.920 1.077 2
1 634 . 1 1 A 68 68 SER N N 68 113.037 115.123 -2.086 2
1 635 . 1 1 A 69 69 THR H H 69 7.765 7.702 0.063 2
1 640 . 1 1 A 69 69 THR CA C 69 63.075 63.580 -0.505 2
1 641 . 1 1 A 69 69 THR CB C 69 69.994 70.106 -0.112 2
1 642 . 1 1 A 69 69 THR N N 69 113.132 112.986 0.146 2
1 643 . 1 1 A 70 70 ARG H H 70 7.915 8.752 -0.837 2
1 644 . 1 1 A 70 70 ARG HA H 70 4.402 4.135 0.267 2
1 651 . 1 1 A 70 70 ARG CA C 70 57.068 58.100 -1.032 2
1 652 . 1 1 A 70 70 ARG CB C 70 30.778 29.685 1.093 2
1 653 . 1 1 A 70 70 ARG N N 70 121.113 120.651 0.462 2
1 654 . 1 1 A 71 71 ARG H H 71 7.891 7.963 -0.072 2
1 655 . 1 1 A 71 71 ARG HA H 71 4.421 4.554 -0.133 2
1 662 . 1 1 A 71 71 ARG CA C 71 56.407 55.624 0.783 2
1 663 . 1 1 A 71 71 ARG CB C 71 31.156 32.662 -1.506 2
1 664 . 1 1 A 71 71 ARG N N 71 118.899 119.598 -0.699 2
stop_
save_