data_15698_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15698
_Entry.PDB_ID 2K2A
_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 10
_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 3 . 1 1 1 A 2 2 GLN H H 90 8.276 8.251 0.025 1
1 6 . 1 1 1 A 2 2 GLN N N 90 118.747 118.583 0.164 1
1 8 . 1 1 1 A 3 3 GLN H H 91 8.199 7.647 0.552 1
1 11 . 1 1 1 A 3 3 GLN N N 91 120.090 117.790 2.300 1
1 13 . 1 1 1 A 4 4 GLU H H 92 8.454 7.655 0.799 1
1 14 . 1 1 1 A 4 4 GLU N N 92 120.250 123.156 -2.906 1
1 15 . 1 1 1 A 5 5 LEU H H 93 8.410 8.841 -0.431 1
1 16 . 1 1 1 A 5 5 LEU HA H 93 4.255 3.974 0.281 1
1 26 . 1 1 1 A 5 5 LEU CA C 93 58.103 57.691 0.412 1
1 27 . 1 1 1 A 5 5 LEU CB C 93 42.309 41.546 0.763 1
1 31 . 1 1 1 A 5 5 LEU N N 93 121.261 122.365 -1.104 1
1 32 . 1 1 1 A 6 6 ARG H H 94 8.345 8.384 -0.039 1
1 33 . 1 1 1 A 6 6 ARG HA H 94 4.061 4.393 -0.332 1
1 41 . 1 1 1 A 6 6 ARG CA C 94 60.241 58.533 1.708 1
1 42 . 1 1 1 A 6 6 ARG CB C 94 30.080 30.029 0.051 1
1 45 . 1 1 1 A 6 6 ARG N N 94 119.790 119.089 0.701 1
1 46 . 1 1 1 A 7 7 GLU H H 95 8.010 9.158 -1.148 1
1 47 . 1 1 1 A 7 7 GLU HA H 95 4.122 4.116 0.006 1
1 52 . 1 1 1 A 7 7 GLU CA C 95 59.861 59.250 0.611 1
1 53 . 1 1 1 A 7 7 GLU CB C 95 28.812 29.445 -0.633 1
1 54 . 1 1 1 A 7 7 GLU N N 95 118.474 118.249 0.225 1
1 55 . 1 1 1 A 8 8 ALA H H 96 8.052 7.891 0.161 1
1 56 . 1 1 1 A 8 8 ALA HA H 96 4.199 4.040 0.159 1
1 60 . 1 1 1 A 8 8 ALA CA C 96 55.174 55.029 0.145 1
1 61 . 1 1 1 A 8 8 ALA CB C 96 18.502 18.515 -0.013 1
1 62 . 1 1 1 A 8 8 ALA N N 96 122.505 122.470 0.035 1
1 63 . 1 1 1 A 9 9 PHE H H 97 8.432 8.333 0.099 1
1 64 . 1 1 1 A 9 9 PHE HA H 97 3.803 3.990 -0.187 1
1 72 . 1 1 1 A 9 9 PHE CA C 97 61.732 61.326 0.406 1
1 73 . 1 1 1 A 9 9 PHE CB C 97 39.537 39.169 0.368 1
1 77 . 1 1 1 A 9 9 PHE N N 97 117.510 119.792 -2.282 1
1 78 . 1 1 1 A 10 10 ARG H H 98 7.840 8.584 -0.744 1
1 79 . 1 1 1 A 10 10 ARG HA H 98 3.955 4.802 -0.847 1
1 86 . 1 1 1 A 10 10 ARG CA C 98 59.109 58.785 0.324 1
1 87 . 1 1 1 A 10 10 ARG CB C 98 30.243 29.650 0.593 1
1 90 . 1 1 1 A 10 10 ARG N N 98 116.256 118.506 -2.250 1
1 91 . 1 1 1 A 11 11 LEU H H 99 7.578 7.393 0.185 1
1 92 . 1 1 1 A 11 11 LEU HA H 99 3.958 3.995 -0.037 1
1 102 . 1 1 1 A 11 11 LEU CA C 99 57.310 56.544 0.766 1
1 103 . 1 1 1 A 11 11 LEU CB C 99 41.820 41.224 0.596 1
1 107 . 1 1 1 A 11 11 LEU N N 99 118.446 120.204 -1.758 1
1 108 . 1 1 1 A 12 12 TYR H H 100 7.523 7.594 -0.071 1
1 109 . 1 1 1 A 12 12 TYR HA H 100 4.369 4.518 -0.149 1
1 116 . 1 1 1 A 12 12 TYR CA C 100 59.861 57.613 2.248 1
1 117 . 1 1 1 A 12 12 TYR CB C 100 39.700 38.068 1.632 1
1 120 . 1 1 1 A 12 12 TYR N N 100 116.280 116.648 -0.368 1
1 121 . 1 1 1 A 13 13 ASP H H 101 7.945 7.618 0.327 1
1 122 . 1 1 1 A 13 13 ASP HA H 101 4.787 4.814 -0.027 1
1 125 . 1 1 1 A 13 13 ASP CA C 101 52.245 53.895 -1.650 1
1 126 . 1 1 1 A 13 13 ASP CB C 101 39.537 41.190 -1.653 1
1 127 . 1 1 1 A 13 13 ASP N N 101 121.756 120.823 0.933 1
1 128 . 1 1 1 A 14 14 LYS H H 102 7.858 8.129 -0.271 1
1 129 . 1 1 1 A 14 14 LYS HA H 102 4.033 4.080 -0.047 1
1 138 . 1 1 1 A 14 14 LYS CA C 102 59.269 59.242 0.027 1
1 139 . 1 1 1 A 14 14 LYS CB C 102 32.688 32.254 0.434 1
1 143 . 1 1 1 A 14 14 LYS N N 102 123.213 117.581 5.632 1
1 144 . 1 1 1 A 15 15 GLU H H 103 8.640 7.980 0.660 1
1 145 . 1 1 1 A 15 15 GLU HA H 103 4.218 4.787 -0.569 1
1 150 . 1 1 1 A 15 15 GLU CA C 103 56.981 55.335 1.646 1
1 151 . 1 1 1 A 15 15 GLU CB C 103 29.753 30.806 -1.053 1
1 153 . 1 1 1 A 15 15 GLU N N 103 116.301 118.989 -2.688 1
1 154 . 1 1 1 A 16 16 GLY H H 104 7.824 8.317 -0.493 1
1 155 . 1 1 1 A 16 16 GLY HA2 H 104 3.724 4.167 -0.443 1
1 156 . 1 1 1 A 16 16 GLY HA3 H 104 3.855 4.170 -0.315 1
1 157 . 1 1 1 A 16 16 GLY CA C 104 47.201 44.575 2.626 1
1 158 . 1 1 1 A 16 16 GLY N N 104 109.341 113.480 -4.139 1
1 159 . 1 1 1 A 17 17 ASN H H 105 9.620 8.562 1.058 1
1 160 . 1 1 1 A 17 17 ASN HA H 105 4.562 5.378 -0.816 1
1 165 . 1 1 1 A 17 17 ASN CA C 105 54.588 52.052 2.536 1
1 166 . 1 1 1 A 17 17 ASN CB C 105 39.374 40.618 -1.244 1
1 167 . 1 1 1 A 17 17 ASN N N 105 120.357 118.085 2.272 1
1 169 . 1 1 1 A 18 18 GLY H H 106 10.621 9.423 1.198 1
1 170 . 1 1 1 A 18 18 GLY HA2 H 106 3.650 3.957 -0.307 1
1 171 . 1 1 1 A 18 18 GLY HA3 H 106 4.265 4.186 0.079 1
1 172 . 1 1 1 A 18 18 GLY CA C 106 45.733 45.690 0.043 1
1 173 . 1 1 1 A 18 18 GLY N N 106 111.026 114.224 -3.198 1
1 174 . 1 1 1 A 19 19 TYR H H 107 7.300 8.096 -0.796 1
1 175 . 1 1 1 A 19 19 TYR HA H 107 5.472 5.036 0.436 1
1 182 . 1 1 1 A 19 19 TYR CA C 107 56.346 56.684 -0.338 1
1 183 . 1 1 1 A 19 19 TYR CB C 107 40.841 38.594 2.247 1
1 186 . 1 1 1 A 19 19 TYR N N 107 115.597 119.536 -3.939 1
1 187 . 1 1 1 A 20 20 ILE H H 108 8.866 8.194 0.672 1
1 188 . 1 1 1 A 20 20 ILE HA H 108 4.778 4.357 0.421 1
1 198 . 1 1 1 A 20 20 ILE CA C 108 59.275 60.276 -1.001 1
1 199 . 1 1 1 A 20 20 ILE CB C 108 42.635 38.815 3.820 1
1 203 . 1 1 1 A 20 20 ILE N N 108 113.436 121.745 -8.309 1
1 204 . 1 1 1 A 21 21 SER H H 109 8.620 8.635 -0.015 1
1 205 . 1 1 1 A 21 21 SER HA H 109 5.058 4.921 0.137 1
1 208 . 1 1 1 A 21 21 SER CA C 109 57.756 59.380 -1.624 1
1 209 . 1 1 1 A 21 21 SER CB C 109 63.883 63.468 0.415 1
1 210 . 1 1 1 A 21 21 SER N N 109 117.553 121.194 -3.641 1
1 211 . 1 1 1 A 22 22 THR H H 110 8.354 9.443 -1.089 1
1 212 . 1 1 1 A 22 22 THR HA H 110 3.801 3.944 -0.143 1
1 217 . 1 1 1 A 22 22 THR CA C 110 65.633 65.662 -0.029 1
1 218 . 1 1 1 A 22 22 THR CB C 110 67.909 68.333 -0.424 1
1 220 . 1 1 1 A 22 22 THR N N 110 114.232 118.441 -4.209 1
1 221 . 1 1 1 A 23 23 ASP H H 111 8.177 8.180 -0.003 1
1 222 . 1 1 1 A 23 23 ASP HA H 111 4.392 4.239 0.153 1
1 225 . 1 1 1 A 23 23 ASP CA C 111 57.779 57.402 0.377 1
1 226 . 1 1 1 A 23 23 ASP CB C 111 40.352 41.794 -1.442 1
1 227 . 1 1 1 A 23 23 ASP N N 111 120.992 121.757 -0.765 1
1 228 . 1 1 1 A 24 24 VAL H H 112 7.504 8.038 -0.534 1
1 229 . 1 1 1 A 24 24 VAL HA H 112 3.744 3.660 0.084 1
1 237 . 1 1 1 A 24 24 VAL CA C 112 65.719 64.788 0.931 1
1 238 . 1 1 1 A 24 24 VAL CB C 112 31.741 31.125 0.616 1
1 241 . 1 1 1 A 24 24 VAL N N 112 122.123 118.069 4.054 1
1 242 . 1 1 1 A 25 25 MET H H 113 7.984 8.083 -0.099 1
1 243 . 1 1 1 A 25 25 MET HA H 113 4.069 4.149 -0.080 1
1 251 . 1 1 1 A 25 25 MET CA C 113 58.552 58.115 0.437 1
1 252 . 1 1 1 A 25 25 MET CB C 113 33.504 32.088 1.416 1
1 255 . 1 1 1 A 25 25 MET N N 113 119.521 121.538 -2.017 1
1 256 . 1 1 1 A 26 26 ARG H H 114 8.190 7.559 0.631 1
1 257 . 1 1 1 A 26 26 ARG HA H 114 3.745 4.032 -0.287 1
1 265 . 1 1 1 A 26 26 ARG CA C 114 60.747 59.431 1.316 1
1 266 . 1 1 1 A 26 26 ARG CB C 114 29.398 29.957 -0.559 1
1 269 . 1 1 1 A 26 26 ARG N N 114 117.832 119.232 -1.400 1
1 270 . 1 1 1 A 27 27 GLU H H 115 7.265 7.723 -0.458 1
1 271 . 1 1 1 A 27 27 GLU HA H 115 4.010 4.157 -0.147 1
1 276 . 1 1 1 A 27 27 GLU CA C 115 59.435 58.923 0.512 1
1 277 . 1 1 1 A 27 27 GLU N N 115 117.949 119.120 -1.171 1
1 278 . 1 1 1 A 28 28 ILE H H 116 8.074 7.691 0.383 1
1 279 . 1 1 1 A 28 28 ILE HA H 116 3.622 3.657 -0.035 1
1 289 . 1 1 1 A 28 28 ILE CA C 116 65.633 65.900 -0.267 1
1 290 . 1 1 1 A 28 28 ILE CB C 116 38.771 38.098 0.673 1
1 294 . 1 1 1 A 28 28 ILE N N 116 120.582 120.646 -0.064 1
1 295 . 1 1 1 A 29 29 LEU H H 117 8.183 8.242 -0.059 1
1 296 . 1 1 1 A 29 29 LEU HA H 117 3.901 3.996 -0.095 1
1 306 . 1 1 1 A 29 29 LEU CA C 117 58.103 57.793 0.310 1
1 307 . 1 1 1 A 29 29 LEU CB C 117 42.286 40.538 1.748 1
1 311 . 1 1 1 A 29 29 LEU N N 117 118.919 118.357 0.562 1
1 312 . 1 1 1 A 30 30 ALA H H 118 7.920 7.927 -0.007 1
1 313 . 1 1 1 A 30 30 ALA HA H 118 4.131 4.051 0.080 1
1 317 . 1 1 1 A 30 30 ALA CA C 118 54.588 54.877 -0.289 1
1 318 . 1 1 1 A 30 30 ALA CB C 118 18.992 17.966 1.026 1
1 319 . 1 1 1 A 30 30 ALA N N 118 119.224 122.259 -3.035 1
1 320 . 1 1 1 A 31 31 GLU H H 119 7.553 7.663 -0.110 1
1 321 . 1 1 1 A 31 31 GLU HA H 119 4.103 4.223 -0.120 1
1 326 . 1 1 1 A 31 31 GLU CA C 119 58.126 58.122 0.004 1
1 327 . 1 1 1 A 31 31 GLU CB C 119 30.080 29.809 0.271 1
1 328 . 1 1 1 A 31 31 GLU N N 119 116.043 116.875 -0.832 1
1 329 . 1 1 1 A 32 32 LEU H H 120 7.774 7.888 -0.114 1
1 330 . 1 1 1 A 32 32 LEU HA H 120 4.195 4.258 -0.063 1
1 340 . 1 1 1 A 32 32 LEU CA C 120 56.946 57.280 -0.334 1
1 341 . 1 1 1 A 32 32 LEU CB C 120 42.961 42.716 0.245 1
1 345 . 1 1 1 A 32 32 LEU N N 120 119.210 121.205 -1.995 1
1 346 . 1 1 1 A 33 33 ASP H H 121 7.796 8.339 -0.543 1
1 347 . 1 1 1 A 33 33 ASP HA H 121 4.735 4.644 0.091 1
1 350 . 1 1 1 A 33 33 ASP CA C 121 53.409 54.165 -0.756 1
1 351 . 1 1 1 A 33 33 ASP CB C 121 41.168 42.199 -1.031 1
1 352 . 1 1 1 A 33 33 ASP N N 121 117.407 119.131 -1.724 1
1 353 . 1 1 1 A 34 34 GLU H H 122 8.884 9.046 -0.162 1
1 354 . 1 1 1 A 34 34 GLU HA H 122 4.463 4.516 -0.053 1
1 359 . 1 1 1 A 34 34 GLU CA C 122 57.967 57.401 0.566 1
1 360 . 1 1 1 A 34 34 GLU CB C 122 29.753 31.673 -1.920 1
1 362 . 1 1 1 A 34 34 GLU N N 122 123.975 122.505 1.470 1
1 363 . 1 1 1 A 35 35 THR H H 123 8.608 7.654 0.954 1
1 364 . 1 1 1 A 35 35 THR HA H 123 4.347 4.409 -0.062 1
1 369 . 1 1 1 A 35 35 THR CA C 123 62.804 63.543 -0.739 1
1 370 . 1 1 1 A 35 35 THR CB C 123 69.406 69.701 -0.295 1
1 372 . 1 1 1 A 35 35 THR N N 123 111.220 107.243 3.977 1
1 373 . 1 1 1 A 36 36 LEU H H 124 7.104 8.008 -0.904 1
1 374 . 1 1 1 A 36 36 LEU HA H 124 4.461 4.497 -0.036 1
1 384 . 1 1 1 A 36 36 LEU CA C 124 55.174 53.908 1.266 1
1 385 . 1 1 1 A 36 36 LEU CB C 124 42.635 43.238 -0.603 1
1 389 . 1 1 1 A 36 36 LEU N N 124 122.774 121.524 1.250 1
1 390 . 1 1 1 A 37 37 SER H H 125 9.468 8.985 0.483 1
1 391 . 1 1 1 A 37 37 SER HA H 125 4.594 4.729 -0.135 1
1 394 . 1 1 1 A 37 37 SER CA C 125 56.932 56.281 0.651 1
1 395 . 1 1 1 A 37 37 SER CB C 125 66.119 65.510 0.609 1
1 396 . 1 1 1 A 37 37 SER N N 125 121.762 118.345 3.417 1
1 397 . 1 1 1 A 38 38 SER H H 126 8.970 8.989 -0.019 1
1 398 . 1 1 1 A 38 38 SER HA H 126 3.925 4.056 -0.131 1
1 401 . 1 1 1 A 38 38 SER CA C 126 63.004 62.352 0.652 1
1 402 . 1 1 1 A 38 38 SER CB C 126 62.364 63.468 -1.104 1
1 403 . 1 1 1 A 38 38 SER N N 126 116.391 120.090 -3.699 1
1 404 . 1 1 1 A 39 39 GLU H H 127 8.468 8.420 0.048 1
1 405 . 1 1 1 A 39 39 GLU HA H 127 4.125 4.021 0.104 1
1 410 . 1 1 1 A 39 39 GLU CA C 127 60.082 59.424 0.658 1
1 411 . 1 1 1 A 39 39 GLU CB C 127 29.427 29.017 0.410 1
1 413 . 1 1 1 A 39 39 GLU N N 127 119.790 121.483 -1.693 1
1 414 . 1 1 1 A 40 40 ASP H H 128 7.981 8.125 -0.144 1
1 415 . 1 1 1 A 40 40 ASP HA H 128 4.414 4.387 0.027 1
1 418 . 1 1 1 A 40 40 ASP CA C 128 57.473 57.166 0.307 1
1 419 . 1 1 1 A 40 40 ASP CB C 128 41.331 40.865 0.466 1
1 420 . 1 1 1 A 40 40 ASP N N 128 122.463 120.462 2.001 1
1 421 . 1 1 1 A 41 41 LEU H H 129 8.289 7.848 0.441 1
1 422 . 1 1 1 A 41 41 LEU HA H 129 4.019 3.969 0.050 1
1 432 . 1 1 1 A 41 41 LEU CA C 129 58.603 58.051 0.552 1
1 433 . 1 1 1 A 41 41 LEU CB C 129 42.146 41.245 0.901 1
1 437 . 1 1 1 A 41 41 LEU N N 129 121.708 116.949 4.759 1
1 438 . 1 1 1 A 42 42 ASP H H 130 8.353 8.698 -0.345 1
1 439 . 1 1 1 A 42 42 ASP HA H 130 4.225 4.398 -0.173 1
1 442 . 1 1 1 A 42 42 ASP CA C 130 57.797 58.024 -0.227 1
1 443 . 1 1 1 A 42 42 ASP CB C 130 40.352 41.295 -0.943 1
1 444 . 1 1 1 A 42 42 ASP N N 130 119.133 120.110 -0.977 1
1 445 . 1 1 1 A 43 43 ALA H H 131 7.675 7.899 -0.224 1
1 446 . 1 1 1 A 43 43 ALA HA H 131 4.196 4.092 0.104 1
1 450 . 1 1 1 A 43 43 ALA CA C 131 55.002 54.941 0.061 1
1 451 . 1 1 1 A 43 43 ALA CB C 131 18.267 18.095 0.172 1
1 452 . 1 1 1 A 43 43 ALA N N 131 121.142 121.531 -0.389 1
1 453 . 1 1 1 A 44 44 MET H H 132 8.039 7.698 0.341 1
1 454 . 1 1 1 A 44 44 MET HA H 132 4.153 4.295 -0.142 1
1 462 . 1 1 1 A 44 44 MET CA C 132 59.435 58.073 1.362 1
1 463 . 1 1 1 A 44 44 MET CB C 132 33.830 32.167 1.663 1
1 466 . 1 1 1 A 44 44 MET N N 132 118.616 116.311 2.305 1
1 467 . 1 1 1 A 45 45 ILE H H 133 8.322 8.002 0.320 1
1 468 . 1 1 1 A 45 45 ILE HA H 133 3.718 3.748 -0.030 1
1 478 . 1 1 1 A 45 45 ILE CA C 133 62.804 64.871 -2.067 1
1 479 . 1 1 1 A 45 45 ILE CB C 133 35.787 36.380 -0.593 1
1 483 . 1 1 1 A 45 45 ILE N N 133 119.464 120.539 -1.075 1
1 484 . 1 1 1 A 46 46 ASP H H 134 7.995 8.412 -0.417 1
1 485 . 1 1 1 A 46 46 ASP HA H 134 4.340 4.454 -0.114 1
1 488 . 1 1 1 A 46 46 ASP CA C 134 57.317 56.863 0.454 1
1 489 . 1 1 1 A 46 46 ASP CB C 134 41.005 41.144 -0.139 1
1 490 . 1 1 1 A 47 47 GLU H H 135 7.371 8.114 -0.743 1
1 491 . 1 1 1 A 47 47 GLU HA H 135 4.106 4.356 -0.250 1
1 496 . 1 1 1 A 47 47 GLU CA C 135 58.543 56.679 1.864 1
1 497 . 1 1 1 A 47 47 GLU CB C 135 29.916 29.783 0.133 1
1 499 . 1 1 1 A 47 47 GLU N N 135 116.443 115.215 1.228 1
1 500 . 1 1 1 A 48 48 ILE H H 136 8.523 7.886 0.637 1
1 501 . 1 1 1 A 48 48 ILE HA H 136 4.000 4.373 -0.373 1
1 511 . 1 1 1 A 48 48 ILE CA C 136 63.676 61.819 1.857 1
1 512 . 1 1 1 A 48 48 ILE CB C 136 39.357 39.839 -0.482 1
1 516 . 1 1 1 A 48 48 ILE N N 136 121.250 120.247 1.003 1
1 517 . 1 1 1 A 49 49 ASP H H 137 7.840 7.237 0.603 1
1 518 . 1 1 1 A 49 49 ASP HA H 137 5.106 4.439 0.667 1
1 521 . 1 1 1 A 49 49 ASP CA C 137 52.581 55.067 -2.486 1
1 522 . 1 1 1 A 49 49 ASP CB C 137 40.189 41.931 -1.742 1
1 523 . 1 1 1 A 49 49 ASP N N 137 117.820 122.798 -4.978 1
1 524 . 1 1 1 A 50 50 ALA H H 138 7.846 8.932 -1.086 1
1 525 . 1 1 1 A 50 50 ALA HA H 138 4.181 4.563 -0.382 1
1 529 . 1 1 1 A 50 50 ALA CA C 138 55.346 51.637 3.709 1
1 530 . 1 1 1 A 50 50 ALA CB C 138 19.318 18.779 0.539 1
1 531 . 1 1 1 A 50 50 ALA N N 138 125.638 129.255 -3.617 1
1 532 . 1 1 1 A 51 51 ASP H H 139 8.485 8.553 -0.068 1
1 533 . 1 1 1 A 51 51 ASP HA H 139 4.653 4.354 0.299 1
1 536 . 1 1 1 A 51 51 ASP CB C 139 40.841 40.465 0.376 1
1 537 . 1 1 1 A 51 51 ASP N N 139 113.885 116.845 -2.960 1
1 538 . 1 1 1 A 52 52 GLY H H 140 7.900 8.025 -0.125 1
1 539 . 1 1 1 A 52 52 GLY HA2 H 140 3.845 3.906 -0.061 1
1 540 . 1 1 1 A 52 52 GLY HA3 H 140 3.845 3.914 -0.069 1
1 541 . 1 1 1 A 52 52 GLY CA C 140 47.527 46.622 0.905 1
1 542 . 1 1 1 A 52 52 GLY N N 140 113.060 107.801 5.259 1
1 543 . 1 1 1 A 53 53 SER H H 141 9.150 9.269 -0.119 1
1 544 . 1 1 1 A 53 53 SER HA H 141 4.227 4.195 0.032 1
1 547 . 1 1 1 A 53 53 SER CA C 141 60.461 59.344 1.117 1
1 548 . 1 1 1 A 53 53 SER CB C 141 64.645 61.786 2.859 1
1 549 . 1 1 1 A 53 53 SER N N 141 117.771 112.405 5.366 1
1 550 . 1 1 1 A 54 54 GLY H H 142 10.554 8.649 1.905 1
1 551 . 1 1 1 A 54 54 GLY HA2 H 142 3.781 3.970 -0.189 1
1 552 . 1 1 1 A 54 54 GLY HA3 H 142 4.210 3.977 0.233 1
1 553 . 1 1 1 A 54 54 GLY CA C 142 46.222 46.777 -0.555 1
1 554 . 1 1 1 A 54 54 GLY N N 142 115.432 105.955 9.477 1
1 555 . 1 1 1 A 55 55 THR H H 143 7.940 7.398 0.542 1
1 556 . 1 1 1 A 55 55 THR HA H 143 5.081 5.163 -0.082 1
1 561 . 1 1 1 A 55 55 THR CA C 143 59.861 59.420 0.441 1
1 562 . 1 1 1 A 55 55 THR CB C 143 72.835 72.620 0.215 1
1 564 . 1 1 1 A 55 55 THR N N 143 110.471 108.247 2.224 1
1 565 . 1 1 1 A 56 56 VAL H H 144 9.090 8.709 0.381 1
1 566 . 1 1 1 A 56 56 VAL HA H 144 4.553 4.855 -0.302 1
1 574 . 1 1 1 A 56 56 VAL CA C 144 61.032 60.947 0.085 1
1 575 . 1 1 1 A 56 56 VAL CB C 144 35.256 34.751 0.505 1
1 578 . 1 1 1 A 56 56 VAL N N 144 119.565 121.380 -1.815 1
1 579 . 1 1 1 A 57 57 ASP H H 145 8.870 9.389 -0.519 1
1 580 . 1 1 1 A 57 57 ASP HA H 145 5.088 4.848 0.240 1
1 583 . 1 1 1 A 57 57 ASP CA C 145 53.231 52.978 0.253 1
1 584 . 1 1 1 A 57 57 ASP CB C 145 42.146 42.526 -0.380 1
1 585 . 1 1 1 A 57 57 ASP N N 145 126.198 127.120 -0.922 1
1 586 . 1 1 1 A 58 58 PHE H H 146 8.223 8.870 -0.647 1
1 587 . 1 1 1 A 58 58 PHE HA H 146 3.538 3.889 -0.351 1
1 595 . 1 1 1 A 58 58 PHE CA C 146 61.718 62.175 -0.457 1
1 596 . 1 1 1 A 58 58 PHE CB C 146 39.211 39.419 -0.208 1
1 600 . 1 1 1 A 59 59 GLU H H 147 8.347 8.496 -0.149 1
1 601 . 1 1 1 A 59 59 GLU HA H 147 3.746 3.823 -0.077 1
1 606 . 1 1 1 A 59 59 GLU CA C 147 60.061 59.565 0.496 1
1 607 . 1 1 1 A 59 59 GLU CB C 147 29.101 29.278 -0.177 1
1 609 . 1 1 1 A 59 59 GLU N N 147 118.710 119.633 -0.923 1
1 610 . 1 1 1 A 60 60 GLU H H 148 8.380 8.059 0.321 1
1 611 . 1 1 1 A 60 60 GLU HA H 148 4.037 4.048 -0.011 1
1 616 . 1 1 1 A 60 60 GLU CA C 148 59.920 59.228 0.692 1
1 617 . 1 1 1 A 60 60 GLU CB C 148 30.080 29.534 0.546 1
1 618 . 1 1 1 A 60 60 GLU N N 148 121.774 119.223 2.551 1
1 619 . 1 1 1 A 61 61 PHE H H 149 8.421 8.353 0.068 1
1 620 . 1 1 1 A 61 61 PHE HA H 149 4.083 4.249 -0.166 1
1 628 . 1 1 1 A 61 61 PHE CA C 149 61.232 60.847 0.385 1
1 629 . 1 1 1 A 61 61 PHE CB C 149 39.863 38.996 0.867 1
1 633 . 1 1 1 A 61 61 PHE N N 149 121.039 121.455 -0.416 1
1 634 . 1 1 1 A 62 62 MET H H 150 8.446 8.354 0.092 1
1 635 . 1 1 1 A 62 62 MET HA H 150 3.857 3.772 0.085 1
1 643 . 1 1 1 A 62 62 MET CA C 150 57.310 58.762 -1.452 1
1 644 . 1 1 1 A 62 62 MET CB C 150 31.221 32.262 -1.041 1
1 647 . 1 1 1 A 62 62 MET N N 150 117.673 116.720 0.953 1
1 648 . 1 1 1 A 63 63 GLY H H 151 7.889 8.849 -0.960 1
1 649 . 1 1 1 A 63 63 GLY HA2 H 151 3.774 3.762 0.012 1
1 650 . 1 1 1 A 63 63 GLY HA3 H 151 3.871 3.779 0.092 1
1 651 . 1 1 1 A 63 63 GLY CA C 151 47.038 47.383 -0.345 1
1 652 . 1 1 1 A 63 63 GLY N N 151 107.497 109.268 -1.771 1
1 653 . 1 1 1 A 64 64 VAL H H 152 7.571 7.526 0.045 1
1 654 . 1 1 1 A 64 64 VAL HA H 152 3.937 3.668 0.269 1
1 662 . 1 1 1 A 64 64 VAL CA C 152 64.547 65.764 -1.217 1
1 663 . 1 1 1 A 64 64 VAL CB C 152 32.362 31.612 0.750 1
1 666 . 1 1 1 A 64 64 VAL N N 152 119.340 121.751 -2.411 1
1 667 . 1 1 1 A 65 65 MET H H 153 7.773 8.222 -0.449 1
1 668 . 1 1 1 A 65 65 MET HA H 153 4.367 4.100 0.267 1
1 676 . 1 1 1 A 65 65 MET CA C 153 55.874 57.744 -1.870 1
1 677 . 1 1 1 A 65 65 MET CB C 153 32.525 32.016 0.509 1
1 680 . 1 1 1 A 65 65 MET N N 153 117.775 119.735 -1.960 1
1 681 . 1 1 1 A 66 66 THR H H 154 7.789 7.326 0.463 1
1 682 . 1 1 1 A 66 66 THR HA H 154 4.403 4.352 0.051 1
1 687 . 1 1 1 A 66 66 THR CA C 154 62.204 61.328 0.876 1
1 688 . 1 1 1 A 66 66 THR CB C 154 70.577 69.042 1.535 1
1 690 . 1 1 1 A 66 66 THR N N 154 110.197 107.836 2.361 1
1 691 . 1 1 1 A 67 67 GLY H H 155 7.961 8.911 -0.950 1
1 692 . 1 1 1 A 67 67 GLY HA2 H 155 4.017 3.943 0.074 1
1 693 . 1 1 1 A 67 67 GLY HA3 H 155 4.017 3.947 0.070 1
1 694 . 1 1 1 A 67 67 GLY CA C 155 45.896 45.331 0.565 1
1 695 . 1 1 1 A 67 67 GLY N N 155 110.658 110.368 0.290 1
1 696 . 1 1 1 A 68 68 GLY H H 156 8.313 7.961 0.352 1
1 697 . 1 1 1 A 68 68 GLY HA2 H 156 3.990 4.085 -0.095 1
1 698 . 1 1 1 A 68 68 GLY HA3 H 156 3.990 4.094 -0.104 1
1 699 . 1 1 1 A 68 68 GLY CA C 156 45.407 45.669 -0.262 1
1 700 . 1 1 1 A 68 68 GLY N N 156 108.792 107.119 1.673 1
1 701 . 1 1 1 A 69 69 ASP H H 157 8.290 8.683 -0.393 1
1 702 . 1 1 1 A 69 69 ASP HA H 157 4.666 4.705 -0.039 1
1 705 . 1 1 1 A 69 69 ASP CA C 157 54.588 53.042 1.546 1
1 706 . 1 1 1 A 69 69 ASP CB C 157 41.700 40.041 1.659 1
1 707 . 1 1 1 A 69 69 ASP N N 157 120.766 122.124 -1.358 1
1 3 . 2 1 1 A 2 2 GLN H H 90 8.276 8.524 -0.248 1
1 6 . 2 1 1 A 2 2 GLN N N 90 118.747 125.338 -6.591 1
1 8 . 2 1 1 A 3 3 GLN H H 91 8.199 7.996 0.203 1
1 11 . 2 1 1 A 3 3 GLN N N 91 120.090 116.344 3.746 1
1 13 . 2 1 1 A 4 4 GLU H H 92 8.454 8.236 0.218 1
1 14 . 2 1 1 A 4 4 GLU N N 92 120.250 115.561 4.689 1
1 15 . 2 1 1 A 5 5 LEU H H 93 8.410 8.638 -0.228 1
1 16 . 2 1 1 A 5 5 LEU HA H 93 4.255 4.541 -0.286 1
1 26 . 2 1 1 A 5 5 LEU CA C 93 58.103 54.879 3.224 1
1 27 . 2 1 1 A 5 5 LEU CB C 93 42.309 41.942 0.367 1
1 31 . 2 1 1 A 5 5 LEU N N 93 121.261 122.176 -0.915 1
1 32 . 2 1 1 A 6 6 ARG H H 94 8.345 7.999 0.346 1
1 33 . 2 1 1 A 6 6 ARG HA H 94 4.061 4.194 -0.133 1
1 41 . 2 1 1 A 6 6 ARG CA C 94 60.241 59.564 0.677 1
1 42 . 2 1 1 A 6 6 ARG CB C 94 30.080 30.147 -0.067 1
1 45 . 2 1 1 A 6 6 ARG N N 94 119.790 120.786 -0.996 1
1 46 . 2 1 1 A 7 7 GLU H H 95 8.010 8.445 -0.435 1
1 47 . 2 1 1 A 7 7 GLU HA H 95 4.122 4.121 0.001 1
1 52 . 2 1 1 A 7 7 GLU CA C 95 59.861 59.381 0.480 1
1 53 . 2 1 1 A 7 7 GLU CB C 95 28.812 29.332 -0.520 1
1 54 . 2 1 1 A 7 7 GLU N N 95 118.474 119.837 -1.363 1
1 55 . 2 1 1 A 8 8 ALA H H 96 8.052 7.881 0.171 1
1 56 . 2 1 1 A 8 8 ALA HA H 96 4.199 4.266 -0.067 1
1 60 . 2 1 1 A 8 8 ALA CA C 96 55.174 55.066 0.108 1
1 61 . 2 1 1 A 8 8 ALA CB C 96 18.502 18.460 0.042 1
1 62 . 2 1 1 A 8 8 ALA N N 96 122.505 122.685 -0.180 1
1 63 . 2 1 1 A 9 9 PHE H H 97 8.432 8.254 0.178 1
1 64 . 2 1 1 A 9 9 PHE HA H 97 3.803 3.995 -0.192 1
1 72 . 2 1 1 A 9 9 PHE CA C 97 61.732 61.618 0.114 1
1 73 . 2 1 1 A 9 9 PHE CB C 97 39.537 39.179 0.358 1
1 77 . 2 1 1 A 9 9 PHE N N 97 117.510 119.642 -2.132 1
1 78 . 2 1 1 A 10 10 ARG H H 98 7.840 8.775 -0.935 1
1 79 . 2 1 1 A 10 10 ARG HA H 98 3.955 4.072 -0.117 1
1 86 . 2 1 1 A 10 10 ARG CA C 98 59.109 59.267 -0.158 1
1 87 . 2 1 1 A 10 10 ARG CB C 98 30.243 30.162 0.081 1
1 90 . 2 1 1 A 10 10 ARG N N 98 116.256 117.798 -1.542 1
1 91 . 2 1 1 A 11 11 LEU H H 99 7.578 7.501 0.077 1
1 92 . 2 1 1 A 11 11 LEU HA H 99 3.958 3.974 -0.016 1
1 102 . 2 1 1 A 11 11 LEU CA C 99 57.310 57.184 0.126 1
1 103 . 2 1 1 A 11 11 LEU CB C 99 41.820 42.153 -0.333 1
1 107 . 2 1 1 A 11 11 LEU N N 99 118.446 119.145 -0.699 1
1 108 . 2 1 1 A 12 12 TYR H H 100 7.523 7.386 0.137 1
1 109 . 2 1 1 A 12 12 TYR HA H 100 4.369 4.560 -0.191 1
1 116 . 2 1 1 A 12 12 TYR CA C 100 59.861 57.057 2.804 1
1 117 . 2 1 1 A 12 12 TYR CB C 100 39.700 37.817 1.883 1
1 120 . 2 1 1 A 12 12 TYR N N 100 116.280 114.728 1.552 1
1 121 . 2 1 1 A 13 13 ASP H H 101 7.945 7.724 0.221 1
1 122 . 2 1 1 A 13 13 ASP HA H 101 4.787 4.070 0.717 1
1 125 . 2 1 1 A 13 13 ASP CA C 101 52.245 54.068 -1.823 1
1 126 . 2 1 1 A 13 13 ASP CB C 101 39.537 40.953 -1.416 1
1 127 . 2 1 1 A 13 13 ASP N N 101 121.756 122.929 -1.173 1
1 128 . 2 1 1 A 14 14 LYS H H 102 7.858 8.497 -0.639 1
1 129 . 2 1 1 A 14 14 LYS HA H 102 4.033 4.340 -0.307 1
1 138 . 2 1 1 A 14 14 LYS CA C 102 59.269 57.397 1.872 1
1 139 . 2 1 1 A 14 14 LYS CB C 102 32.688 32.264 0.424 1
1 143 . 2 1 1 A 14 14 LYS N N 102 123.213 126.401 -3.188 1
1 144 . 2 1 1 A 15 15 GLU H H 103 8.640 7.967 0.673 1
1 145 . 2 1 1 A 15 15 GLU HA H 103 4.218 4.448 -0.230 1
1 150 . 2 1 1 A 15 15 GLU CA C 103 56.981 56.072 0.909 1
1 151 . 2 1 1 A 15 15 GLU CB C 103 29.753 28.162 1.591 1
1 153 . 2 1 1 A 15 15 GLU N N 103 116.301 120.851 -4.550 1
1 154 . 2 1 1 A 16 16 GLY H H 104 7.824 9.281 -1.457 1
1 155 . 2 1 1 A 16 16 GLY HA2 H 104 3.724 4.120 -0.396 1
1 156 . 2 1 1 A 16 16 GLY HA3 H 104 3.855 4.130 -0.275 1
1 157 . 2 1 1 A 16 16 GLY CA C 104 47.201 45.827 1.374 1
1 158 . 2 1 1 A 16 16 GLY N N 104 109.341 111.137 -1.796 1
1 159 . 2 1 1 A 17 17 ASN H H 105 9.620 8.059 1.561 1
1 160 . 2 1 1 A 17 17 ASN HA H 105 4.562 4.208 0.354 1
1 165 . 2 1 1 A 17 17 ASN CA C 105 54.588 54.511 0.077 1
1 166 . 2 1 1 A 17 17 ASN CB C 105 39.374 36.367 3.007 1
1 167 . 2 1 1 A 17 17 ASN N N 105 120.357 112.339 8.018 1
1 169 . 2 1 1 A 18 18 GLY H H 106 10.621 8.450 2.171 1
1 170 . 2 1 1 A 18 18 GLY HA2 H 106 3.650 3.901 -0.251 1
1 171 . 2 1 1 A 18 18 GLY HA3 H 106 4.265 3.914 0.351 1
1 172 . 2 1 1 A 18 18 GLY CA C 106 45.733 45.959 -0.226 1
1 173 . 2 1 1 A 18 18 GLY N N 106 111.026 104.863 6.163 1
1 174 . 2 1 1 A 19 19 TYR H H 107 7.300 8.486 -1.186 1
1 175 . 2 1 1 A 19 19 TYR HA H 107 5.472 4.855 0.617 1
1 182 . 2 1 1 A 19 19 TYR CA C 107 56.346 60.572 -4.226 1
1 183 . 2 1 1 A 19 19 TYR CB C 107 40.841 37.291 3.550 1
1 186 . 2 1 1 A 19 19 TYR N N 107 115.597 116.749 -1.152 1
1 187 . 2 1 1 A 20 20 ILE H H 108 8.866 8.183 0.683 1
1 188 . 2 1 1 A 20 20 ILE HA H 108 4.778 4.851 -0.073 1
1 198 . 2 1 1 A 20 20 ILE CA C 108 59.275 59.321 -0.046 1
1 199 . 2 1 1 A 20 20 ILE CB C 108 42.635 41.692 0.943 1
1 203 . 2 1 1 A 20 20 ILE N N 108 113.436 116.728 -3.292 1
1 204 . 2 1 1 A 21 21 SER H H 109 8.620 8.714 -0.094 1
1 205 . 2 1 1 A 21 21 SER HA H 109 5.058 4.978 0.080 1
1 208 . 2 1 1 A 21 21 SER CA C 109 57.756 59.275 -1.519 1
1 209 . 2 1 1 A 21 21 SER CB C 109 63.883 63.454 0.429 1
1 210 . 2 1 1 A 21 21 SER N N 109 117.553 121.044 -3.491 1
1 211 . 2 1 1 A 22 22 THR H H 110 8.354 9.489 -1.135 1
1 212 . 2 1 1 A 22 22 THR HA H 110 3.801 3.938 -0.137 1
1 217 . 2 1 1 A 22 22 THR CA C 110 65.633 65.927 -0.294 1
1 218 . 2 1 1 A 22 22 THR CB C 110 67.909 68.133 -0.224 1
1 220 . 2 1 1 A 22 22 THR N N 110 114.232 118.312 -4.080 1
1 221 . 2 1 1 A 23 23 ASP H H 111 8.177 8.321 -0.144 1
1 222 . 2 1 1 A 23 23 ASP HA H 111 4.392 4.221 0.171 1
1 225 . 2 1 1 A 23 23 ASP CA C 111 57.779 57.669 0.110 1
1 226 . 2 1 1 A 23 23 ASP CB C 111 40.352 41.514 -1.162 1
1 227 . 2 1 1 A 23 23 ASP N N 111 120.992 122.154 -1.162 1
1 228 . 2 1 1 A 24 24 VAL H H 112 7.504 8.231 -0.727 1
1 229 . 2 1 1 A 24 24 VAL HA H 112 3.744 3.453 0.291 1
1 237 . 2 1 1 A 24 24 VAL CA C 112 65.719 66.402 -0.683 1
1 238 . 2 1 1 A 24 24 VAL CB C 112 31.741 31.520 0.221 1
1 241 . 2 1 1 A 24 24 VAL N N 112 122.123 119.062 3.061 1
1 242 . 2 1 1 A 25 25 MET H H 113 7.984 8.241 -0.257 1
1 243 . 2 1 1 A 25 25 MET HA H 113 4.069 4.067 0.002 1
1 251 . 2 1 1 A 25 25 MET CA C 113 58.552 58.546 0.006 1
1 252 . 2 1 1 A 25 25 MET CB C 113 33.504 31.709 1.795 1
1 255 . 2 1 1 A 25 25 MET N N 113 119.521 118.592 0.929 1
1 256 . 2 1 1 A 26 26 ARG H H 114 8.190 7.941 0.249 1
1 257 . 2 1 1 A 26 26 ARG HA H 114 3.745 4.053 -0.308 1
1 265 . 2 1 1 A 26 26 ARG CA C 114 60.747 59.426 1.321 1
1 266 . 2 1 1 A 26 26 ARG CB C 114 29.398 30.112 -0.714 1
1 269 . 2 1 1 A 26 26 ARG N N 114 117.832 119.033 -1.201 1
1 270 . 2 1 1 A 27 27 GLU H H 115 7.265 7.533 -0.268 1
1 271 . 2 1 1 A 27 27 GLU HA H 115 4.010 4.103 -0.093 1
1 276 . 2 1 1 A 27 27 GLU CA C 115 59.435 58.999 0.436 1
1 277 . 2 1 1 A 27 27 GLU N N 115 117.949 119.507 -1.558 1
1 278 . 2 1 1 A 28 28 ILE H H 116 8.074 8.501 -0.427 1
1 279 . 2 1 1 A 28 28 ILE HA H 116 3.622 3.598 0.024 1
1 289 . 2 1 1 A 28 28 ILE CA C 116 65.633 65.570 0.063 1
1 290 . 2 1 1 A 28 28 ILE CB C 116 38.771 37.813 0.958 1
1 294 . 2 1 1 A 28 28 ILE N N 116 120.582 119.986 0.596 1
1 295 . 2 1 1 A 29 29 LEU H H 117 8.183 7.855 0.328 1
1 296 . 2 1 1 A 29 29 LEU HA H 117 3.901 4.202 -0.301 1
1 306 . 2 1 1 A 29 29 LEU CA C 117 58.103 58.040 0.063 1
1 307 . 2 1 1 A 29 29 LEU CB C 117 42.286 41.303 0.983 1
1 311 . 2 1 1 A 29 29 LEU N N 117 118.919 118.625 0.294 1
1 312 . 2 1 1 A 30 30 ALA H H 118 7.920 7.884 0.036 1
1 313 . 2 1 1 A 30 30 ALA HA H 118 4.131 4.146 -0.015 1
1 317 . 2 1 1 A 30 30 ALA CA C 118 54.588 54.636 -0.048 1
1 318 . 2 1 1 A 30 30 ALA CB C 118 18.992 18.208 0.784 1
1 319 . 2 1 1 A 30 30 ALA N N 118 119.224 121.704 -2.480 1
1 320 . 2 1 1 A 31 31 GLU H H 119 7.553 8.543 -0.990 1
1 321 . 2 1 1 A 31 31 GLU HA H 119 4.103 4.138 -0.035 1
1 326 . 2 1 1 A 31 31 GLU CA C 119 58.126 59.061 -0.935 1
1 327 . 2 1 1 A 31 31 GLU CB C 119 30.080 29.347 0.733 1
1 328 . 2 1 1 A 31 31 GLU N N 119 116.043 116.414 -0.371 1
1 329 . 2 1 1 A 32 32 LEU H H 120 7.774 7.375 0.399 1
1 330 . 2 1 1 A 32 32 LEU HA H 120 4.195 4.158 0.037 1
1 340 . 2 1 1 A 32 32 LEU CA C 120 56.946 57.932 -0.986 1
1 341 . 2 1 1 A 32 32 LEU CB C 120 42.961 42.100 0.861 1
1 345 . 2 1 1 A 32 32 LEU N N 120 119.210 121.667 -2.457 1
1 346 . 2 1 1 A 33 33 ASP H H 121 7.796 8.469 -0.673 1
1 347 . 2 1 1 A 33 33 ASP HA H 121 4.735 4.963 -0.228 1
1 350 . 2 1 1 A 33 33 ASP CA C 121 53.409 53.360 0.049 1
1 351 . 2 1 1 A 33 33 ASP CB C 121 41.168 42.902 -1.734 1
1 352 . 2 1 1 A 33 33 ASP N N 121 117.407 118.850 -1.443 1
1 353 . 2 1 1 A 34 34 GLU H H 122 8.884 9.151 -0.267 1
1 354 . 2 1 1 A 34 34 GLU HA H 122 4.463 4.427 0.036 1
1 359 . 2 1 1 A 34 34 GLU CA C 122 57.967 57.473 0.494 1
1 360 . 2 1 1 A 34 34 GLU CB C 122 29.753 30.187 -0.434 1
1 362 . 2 1 1 A 34 34 GLU N N 122 123.975 125.903 -1.928 1
1 363 . 2 1 1 A 35 35 THR H H 123 8.608 7.929 0.679 1
1 364 . 2 1 1 A 35 35 THR HA H 123 4.347 4.467 -0.120 1
1 369 . 2 1 1 A 35 35 THR CA C 123 62.804 62.217 0.587 1
1 370 . 2 1 1 A 35 35 THR CB C 123 69.406 70.149 -0.743 1
1 372 . 2 1 1 A 35 35 THR N N 123 111.220 106.852 4.368 1
1 373 . 2 1 1 A 36 36 LEU H H 124 7.104 7.464 -0.360 1
1 374 . 2 1 1 A 36 36 LEU HA H 124 4.461 4.238 0.223 1
1 384 . 2 1 1 A 36 36 LEU CA C 124 55.174 54.675 0.499 1
1 385 . 2 1 1 A 36 36 LEU CB C 124 42.635 41.413 1.222 1
1 389 . 2 1 1 A 36 36 LEU N N 124 122.774 124.546 -1.772 1
1 390 . 2 1 1 A 37 37 SER H H 125 9.468 8.962 0.506 1
1 391 . 2 1 1 A 37 37 SER HA H 125 4.594 4.666 -0.072 1
1 394 . 2 1 1 A 37 37 SER CA C 125 56.932 58.279 -1.347 1
1 395 . 2 1 1 A 37 37 SER CB C 125 66.119 64.247 1.872 1
1 396 . 2 1 1 A 37 37 SER N N 125 121.762 120.678 1.084 1
1 397 . 2 1 1 A 38 38 SER H H 126 8.970 9.020 -0.050 1
1 398 . 2 1 1 A 38 38 SER HA H 126 3.925 4.101 -0.176 1
1 401 . 2 1 1 A 38 38 SER CA C 126 63.004 61.314 1.690 1
1 402 . 2 1 1 A 38 38 SER CB C 126 62.364 62.847 -0.483 1
1 403 . 2 1 1 A 38 38 SER N N 126 116.391 120.760 -4.369 1
1 404 . 2 1 1 A 39 39 GLU H H 127 8.468 8.034 0.434 1
1 405 . 2 1 1 A 39 39 GLU HA H 127 4.125 4.038 0.087 1
1 410 . 2 1 1 A 39 39 GLU CA C 127 60.082 59.290 0.792 1
1 411 . 2 1 1 A 39 39 GLU CB C 127 29.427 29.083 0.344 1
1 413 . 2 1 1 A 39 39 GLU N N 127 119.790 121.616 -1.826 1
1 414 . 2 1 1 A 40 40 ASP H H 128 7.981 8.161 -0.180 1
1 415 . 2 1 1 A 40 40 ASP HA H 128 4.414 4.384 0.030 1
1 418 . 2 1 1 A 40 40 ASP CA C 128 57.473 57.567 -0.094 1
1 419 . 2 1 1 A 40 40 ASP CB C 128 41.331 41.029 0.302 1
1 420 . 2 1 1 A 40 40 ASP N N 128 122.463 120.307 2.156 1
1 421 . 2 1 1 A 41 41 LEU H H 129 8.289 7.943 0.346 1
1 422 . 2 1 1 A 41 41 LEU HA H 129 4.019 4.056 -0.037 1
1 432 . 2 1 1 A 41 41 LEU CA C 129 58.603 57.664 0.939 1
1 433 . 2 1 1 A 41 41 LEU CB C 129 42.146 41.154 0.992 1
1 437 . 2 1 1 A 41 41 LEU N N 129 121.708 121.373 0.335 1
1 438 . 2 1 1 A 42 42 ASP H H 130 8.353 8.084 0.269 1
1 439 . 2 1 1 A 42 42 ASP HA H 130 4.225 4.311 -0.086 1
1 442 . 2 1 1 A 42 42 ASP CA C 130 57.797 57.741 0.056 1
1 443 . 2 1 1 A 42 42 ASP CB C 130 40.352 40.936 -0.584 1
1 444 . 2 1 1 A 42 42 ASP N N 130 119.133 120.206 -1.073 1
1 445 . 2 1 1 A 43 43 ALA H H 131 7.675 7.491 0.184 1
1 446 . 2 1 1 A 43 43 ALA HA H 131 4.196 4.077 0.119 1
1 450 . 2 1 1 A 43 43 ALA CA C 131 55.002 54.855 0.147 1
1 451 . 2 1 1 A 43 43 ALA CB C 131 18.267 18.240 0.027 1
1 452 . 2 1 1 A 43 43 ALA N N 131 121.142 121.472 -0.330 1
1 453 . 2 1 1 A 44 44 MET H H 132 8.039 7.825 0.214 1
1 454 . 2 1 1 A 44 44 MET HA H 132 4.153 4.182 -0.029 1
1 462 . 2 1 1 A 44 44 MET CA C 132 59.435 58.413 1.022 1
1 463 . 2 1 1 A 44 44 MET CB C 132 33.830 33.020 0.810 1
1 466 . 2 1 1 A 44 44 MET N N 132 118.616 116.511 2.105 1
1 467 . 2 1 1 A 45 45 ILE H H 133 8.322 8.423 -0.101 1
1 468 . 2 1 1 A 45 45 ILE HA H 133 3.718 3.747 -0.029 1
1 478 . 2 1 1 A 45 45 ILE CA C 133 62.804 65.489 -2.685 1
1 479 . 2 1 1 A 45 45 ILE CB C 133 35.787 37.272 -1.485 1
1 483 . 2 1 1 A 45 45 ILE N N 133 119.464 119.140 0.324 1
1 484 . 2 1 1 A 46 46 ASP H H 134 7.995 8.411 -0.416 1
1 485 . 2 1 1 A 46 46 ASP HA H 134 4.340 4.408 -0.068 1
1 488 . 2 1 1 A 46 46 ASP CA C 134 57.317 57.044 0.273 1
1 489 . 2 1 1 A 46 46 ASP CB C 134 41.005 41.161 -0.156 1
1 490 . 2 1 1 A 47 47 GLU H H 135 7.371 8.175 -0.804 1
1 491 . 2 1 1 A 47 47 GLU HA H 135 4.106 4.469 -0.363 1
1 496 . 2 1 1 A 47 47 GLU CA C 135 58.543 55.908 2.635 1
1 497 . 2 1 1 A 47 47 GLU CB C 135 29.916 30.171 -0.255 1
1 499 . 2 1 1 A 47 47 GLU N N 135 116.443 117.248 -0.805 1
1 500 . 2 1 1 A 48 48 ILE H H 136 8.523 7.821 0.702 1
1 501 . 2 1 1 A 48 48 ILE HA H 136 4.000 4.212 -0.212 1
1 511 . 2 1 1 A 48 48 ILE CA C 136 63.676 61.981 1.695 1
1 512 . 2 1 1 A 48 48 ILE CB C 136 39.357 40.309 -0.952 1
1 516 . 2 1 1 A 48 48 ILE N N 136 121.250 119.381 1.869 1
1 517 . 2 1 1 A 49 49 ASP H H 137 7.840 8.329 -0.489 1
1 518 . 2 1 1 A 49 49 ASP HA H 137 5.106 4.382 0.724 1
1 521 . 2 1 1 A 49 49 ASP CA C 137 52.581 54.931 -2.350 1
1 522 . 2 1 1 A 49 49 ASP CB C 137 40.189 41.935 -1.746 1
1 523 . 2 1 1 A 49 49 ASP N N 137 117.820 121.824 -4.004 1
1 524 . 2 1 1 A 50 50 ALA H H 138 7.846 8.482 -0.636 1
1 525 . 2 1 1 A 50 50 ALA HA H 138 4.181 4.503 -0.322 1
1 529 . 2 1 1 A 50 50 ALA CA C 138 55.346 51.398 3.948 1
1 530 . 2 1 1 A 50 50 ALA CB C 138 19.318 18.524 0.794 1
1 531 . 2 1 1 A 50 50 ALA N N 138 125.638 128.629 -2.991 1
1 532 . 2 1 1 A 51 51 ASP H H 139 8.485 8.613 -0.128 1
1 533 . 2 1 1 A 51 51 ASP HA H 139 4.653 4.450 0.203 1
1 536 . 2 1 1 A 51 51 ASP CB C 139 40.841 40.442 0.399 1
1 537 . 2 1 1 A 51 51 ASP N N 139 113.885 116.654 -2.769 1
1 538 . 2 1 1 A 52 52 GLY H H 140 7.900 8.031 -0.131 1
1 539 . 2 1 1 A 52 52 GLY HA2 H 140 3.845 3.922 -0.077 1
1 540 . 2 1 1 A 52 52 GLY HA3 H 140 3.845 3.937 -0.092 1
1 541 . 2 1 1 A 52 52 GLY CA C 140 47.527 46.893 0.634 1
1 542 . 2 1 1 A 52 52 GLY N N 140 113.060 107.446 5.614 1
1 543 . 2 1 1 A 53 53 SER H H 141 9.150 8.376 0.774 1
1 544 . 2 1 1 A 53 53 SER HA H 141 4.227 4.187 0.040 1
1 547 . 2 1 1 A 53 53 SER CA C 141 60.461 59.052 1.409 1
1 548 . 2 1 1 A 53 53 SER CB C 141 64.645 60.877 3.768 1
1 549 . 2 1 1 A 53 53 SER N N 141 117.771 116.984 0.787 1
1 550 . 2 1 1 A 54 54 GLY H H 142 10.554 8.616 1.938 1
1 551 . 2 1 1 A 54 54 GLY HA2 H 142 3.781 3.954 -0.173 1
1 552 . 2 1 1 A 54 54 GLY HA3 H 142 4.210 3.958 0.252 1
1 553 . 2 1 1 A 54 54 GLY CA C 142 46.222 46.733 -0.511 1
1 554 . 2 1 1 A 54 54 GLY N N 142 115.432 109.536 5.896 1
1 555 . 2 1 1 A 55 55 THR H H 143 7.940 7.680 0.260 1
1 556 . 2 1 1 A 55 55 THR HA H 143 5.081 4.944 0.137 1
1 561 . 2 1 1 A 55 55 THR CA C 143 59.861 59.511 0.350 1
1 562 . 2 1 1 A 55 55 THR CB C 143 72.835 71.879 0.956 1
1 564 . 2 1 1 A 55 55 THR N N 143 110.471 112.837 -2.366 1
1 565 . 2 1 1 A 56 56 VAL H H 144 9.090 9.855 -0.765 1
1 566 . 2 1 1 A 56 56 VAL HA H 144 4.553 4.553 0.000 1
1 574 . 2 1 1 A 56 56 VAL CA C 144 61.032 60.980 0.052 1
1 575 . 2 1 1 A 56 56 VAL CB C 144 35.256 33.868 1.388 1
1 578 . 2 1 1 A 56 56 VAL N N 144 119.565 126.766 -7.201 1
1 579 . 2 1 1 A 57 57 ASP H H 145 8.870 8.710 0.160 1
1 580 . 2 1 1 A 57 57 ASP HA H 145 5.088 4.577 0.511 1
1 583 . 2 1 1 A 57 57 ASP CA C 145 53.231 54.276 -1.045 1
1 584 . 2 1 1 A 57 57 ASP CB C 145 42.146 41.522 0.624 1
1 585 . 2 1 1 A 57 57 ASP N N 145 126.198 127.692 -1.494 1
1 586 . 2 1 1 A 58 58 PHE H H 146 8.223 8.453 -0.230 1
1 587 . 2 1 1 A 58 58 PHE HA H 146 3.538 4.422 -0.884 1
1 595 . 2 1 1 A 58 58 PHE CA C 146 61.718 60.182 1.536 1
1 596 . 2 1 1 A 58 58 PHE CB C 146 39.211 38.017 1.194 1
1 600 . 2 1 1 A 59 59 GLU H H 147 8.347 7.914 0.433 1
1 601 . 2 1 1 A 59 59 GLU HA H 147 3.746 4.213 -0.467 1
1 606 . 2 1 1 A 59 59 GLU CA C 147 60.061 59.203 0.858 1
1 607 . 2 1 1 A 59 59 GLU CB C 147 29.101 29.307 -0.206 1
1 609 . 2 1 1 A 59 59 GLU N N 147 118.710 121.695 -2.985 1
1 610 . 2 1 1 A 60 60 GLU H H 148 8.380 7.651 0.729 1
1 611 . 2 1 1 A 60 60 GLU HA H 148 4.037 4.112 -0.075 1
1 616 . 2 1 1 A 60 60 GLU CA C 148 59.920 58.970 0.950 1
1 617 . 2 1 1 A 60 60 GLU CB C 148 30.080 29.361 0.719 1
1 618 . 2 1 1 A 60 60 GLU N N 148 121.774 119.823 1.951 1
1 619 . 2 1 1 A 61 61 PHE H H 149 8.421 8.093 0.328 1
1 620 . 2 1 1 A 61 61 PHE HA H 149 4.083 4.637 -0.554 1
1 628 . 2 1 1 A 61 61 PHE CA C 149 61.232 56.236 4.996 1
1 629 . 2 1 1 A 61 61 PHE CB C 149 39.863 37.616 2.247 1
1 633 . 2 1 1 A 61 61 PHE N N 149 121.039 120.750 0.289 1
1 634 . 2 1 1 A 62 62 MET H H 150 8.446 8.555 -0.109 1
1 635 . 2 1 1 A 62 62 MET HA H 150 3.857 4.565 -0.708 1
1 643 . 2 1 1 A 62 62 MET CA C 150 57.310 56.711 0.599 1
1 644 . 2 1 1 A 62 62 MET CB C 150 31.221 33.928 -2.707 1
1 647 . 2 1 1 A 62 62 MET N N 150 117.673 123.859 -6.186 1
1 648 . 2 1 1 A 63 63 GLY H H 151 7.889 8.352 -0.463 1
1 649 . 2 1 1 A 63 63 GLY HA2 H 151 3.774 3.704 0.070 1
1 650 . 2 1 1 A 63 63 GLY HA3 H 151 3.871 3.714 0.157 1
1 651 . 2 1 1 A 63 63 GLY CA C 151 47.038 46.894 0.144 1
1 652 . 2 1 1 A 63 63 GLY N N 151 107.497 107.537 -0.040 1
1 653 . 2 1 1 A 64 64 VAL H H 152 7.571 7.471 0.100 1
1 654 . 2 1 1 A 64 64 VAL HA H 152 3.937 3.722 0.215 1
1 662 . 2 1 1 A 64 64 VAL CA C 152 64.547 65.706 -1.159 1
1 663 . 2 1 1 A 64 64 VAL CB C 152 32.362 31.533 0.829 1
1 666 . 2 1 1 A 64 64 VAL N N 152 119.340 121.696 -2.356 1
1 667 . 2 1 1 A 65 65 MET H H 153 7.773 7.767 0.006 1
1 668 . 2 1 1 A 65 65 MET HA H 153 4.367 4.425 -0.058 1
1 676 . 2 1 1 A 65 65 MET CA C 153 55.874 56.768 -0.894 1
1 677 . 2 1 1 A 65 65 MET CB C 153 32.525 32.910 -0.385 1
1 680 . 2 1 1 A 65 65 MET N N 153 117.775 116.876 0.899 1
1 681 . 2 1 1 A 66 66 THR H H 154 7.789 7.391 0.398 1
1 682 . 2 1 1 A 66 66 THR HA H 154 4.403 4.543 -0.140 1
1 687 . 2 1 1 A 66 66 THR CA C 154 62.204 60.319 1.885 1
1 688 . 2 1 1 A 66 66 THR CB C 154 70.577 68.616 1.961 1
1 690 . 2 1 1 A 66 66 THR N N 154 110.197 109.991 0.206 1
1 691 . 2 1 1 A 67 67 GLY H H 155 7.961 8.739 -0.778 1
1 692 . 2 1 1 A 67 67 GLY HA2 H 155 4.017 3.779 0.238 1
1 693 . 2 1 1 A 67 67 GLY HA3 H 155 4.017 3.780 0.237 1
1 694 . 2 1 1 A 67 67 GLY CA C 155 45.896 46.642 -0.746 1
1 695 . 2 1 1 A 67 67 GLY N N 155 110.658 111.044 -0.386 1
1 696 . 2 1 1 A 68 68 GLY H H 156 8.313 8.151 0.162 1
1 697 . 2 1 1 A 68 68 GLY HA2 H 156 3.990 3.961 0.029 1
1 698 . 2 1 1 A 68 68 GLY HA3 H 156 3.990 3.962 0.028 1
1 699 . 2 1 1 A 68 68 GLY CA C 156 45.407 45.367 0.040 1
1 700 . 2 1 1 A 68 68 GLY N N 156 108.792 108.927 -0.135 1
1 701 . 2 1 1 A 69 69 ASP H H 157 8.290 7.799 0.491 1
1 702 . 2 1 1 A 69 69 ASP HA H 157 4.666 4.843 -0.177 1
1 705 . 2 1 1 A 69 69 ASP CA C 157 54.588 52.169 2.419 1
1 706 . 2 1 1 A 69 69 ASP CB C 157 41.700 42.039 -0.339 1
1 707 . 2 1 1 A 69 69 ASP N N 157 120.766 120.063 0.703 1
1 3 . 3 1 1 A 2 2 GLN H H 90 8.276 8.658 -0.382 1
1 6 . 3 1 1 A 2 2 GLN N N 90 118.747 123.741 -4.994 1
1 8 . 3 1 1 A 3 3 GLN H H 91 8.199 8.798 -0.599 1
1 11 . 3 1 1 A 3 3 GLN N N 91 120.090 120.485 -0.395 1
1 13 . 3 1 1 A 4 4 GLU H H 92 8.454 8.222 0.232 1
1 14 . 3 1 1 A 4 4 GLU N N 92 120.250 120.042 0.208 1
1 15 . 3 1 1 A 5 5 LEU H H 93 8.410 8.482 -0.072 1
1 16 . 3 1 1 A 5 5 LEU HA H 93 4.255 4.191 0.064 1
1 26 . 3 1 1 A 5 5 LEU CA C 93 58.103 58.231 -0.128 1
1 27 . 3 1 1 A 5 5 LEU CB C 93 42.309 41.361 0.948 1
1 31 . 3 1 1 A 5 5 LEU N N 93 121.261 120.394 0.867 1
1 32 . 3 1 1 A 6 6 ARG H H 94 8.345 8.020 0.325 1
1 33 . 3 1 1 A 6 6 ARG HA H 94 4.061 4.010 0.051 1
1 41 . 3 1 1 A 6 6 ARG CA C 94 60.241 59.682 0.559 1
1 42 . 3 1 1 A 6 6 ARG CB C 94 30.080 29.732 0.348 1
1 45 . 3 1 1 A 6 6 ARG N N 94 119.790 119.364 0.426 1
1 46 . 3 1 1 A 7 7 GLU H H 95 8.010 8.581 -0.571 1
1 47 . 3 1 1 A 7 7 GLU HA H 95 4.122 4.086 0.036 1
1 52 . 3 1 1 A 7 7 GLU CA C 95 59.861 59.188 0.673 1
1 53 . 3 1 1 A 7 7 GLU CB C 95 28.812 29.745 -0.933 1
1 54 . 3 1 1 A 7 7 GLU N N 95 118.474 119.365 -0.891 1
1 55 . 3 1 1 A 8 8 ALA H H 96 8.052 8.107 -0.055 1
1 56 . 3 1 1 A 8 8 ALA HA H 96 4.199 4.257 -0.058 1
1 60 . 3 1 1 A 8 8 ALA CA C 96 55.174 55.024 0.150 1
1 61 . 3 1 1 A 8 8 ALA CB C 96 18.502 18.499 0.003 1
1 62 . 3 1 1 A 8 8 ALA N N 96 122.505 122.645 -0.140 1
1 63 . 3 1 1 A 9 9 PHE H H 97 8.432 8.436 -0.004 1
1 64 . 3 1 1 A 9 9 PHE HA H 97 3.803 4.077 -0.274 1
1 72 . 3 1 1 A 9 9 PHE CA C 97 61.732 61.822 -0.090 1
1 73 . 3 1 1 A 9 9 PHE CB C 97 39.537 39.485 0.052 1
1 77 . 3 1 1 A 9 9 PHE N N 97 117.510 119.807 -2.297 1
1 78 . 3 1 1 A 10 10 ARG H H 98 7.840 7.907 -0.067 1
1 79 . 3 1 1 A 10 10 ARG HA H 98 3.955 4.077 -0.122 1
1 86 . 3 1 1 A 10 10 ARG CA C 98 59.109 58.980 0.129 1
1 87 . 3 1 1 A 10 10 ARG CB C 98 30.243 30.126 0.117 1
1 90 . 3 1 1 A 10 10 ARG N N 98 116.256 118.090 -1.834 1
1 91 . 3 1 1 A 11 11 LEU H H 99 7.578 7.644 -0.066 1
1 92 . 3 1 1 A 11 11 LEU HA H 99 3.958 4.163 -0.205 1
1 102 . 3 1 1 A 11 11 LEU CA C 99 57.310 56.544 0.766 1
1 103 . 3 1 1 A 11 11 LEU CB C 99 41.820 41.981 -0.161 1
1 107 . 3 1 1 A 11 11 LEU N N 99 118.446 116.662 1.784 1
1 108 . 3 1 1 A 12 12 TYR H H 100 7.523 7.457 0.066 1
1 109 . 3 1 1 A 12 12 TYR HA H 100 4.369 4.310 0.059 1
1 116 . 3 1 1 A 12 12 TYR CA C 100 59.861 59.865 -0.004 1
1 117 . 3 1 1 A 12 12 TYR CB C 100 39.700 39.624 0.076 1
1 120 . 3 1 1 A 12 12 TYR N N 100 116.280 117.643 -1.363 1
1 121 . 3 1 1 A 13 13 ASP H H 101 7.945 7.703 0.242 1
1 122 . 3 1 1 A 13 13 ASP HA H 101 4.787 4.515 0.272 1
1 125 . 3 1 1 A 13 13 ASP CA C 101 52.245 52.695 -0.450 1
1 126 . 3 1 1 A 13 13 ASP CB C 101 39.537 39.794 -0.257 1
1 127 . 3 1 1 A 13 13 ASP N N 101 121.756 118.697 3.059 1
1 128 . 3 1 1 A 14 14 LYS H H 102 7.858 7.823 0.035 1
1 129 . 3 1 1 A 14 14 LYS HA H 102 4.033 3.997 0.036 1
1 138 . 3 1 1 A 14 14 LYS CA C 102 59.269 59.633 -0.364 1
1 139 . 3 1 1 A 14 14 LYS CB C 102 32.688 32.236 0.452 1
1 143 . 3 1 1 A 14 14 LYS N N 102 123.213 125.420 -2.207 1
1 144 . 3 1 1 A 15 15 GLU H H 103 8.640 7.887 0.753 1
1 145 . 3 1 1 A 15 15 GLU HA H 103 4.218 4.321 -0.103 1
1 150 . 3 1 1 A 15 15 GLU CA C 103 56.981 56.501 0.480 1
1 151 . 3 1 1 A 15 15 GLU CB C 103 29.753 30.624 -0.871 1
1 153 . 3 1 1 A 15 15 GLU N N 103 116.301 116.733 -0.432 1
1 154 . 3 1 1 A 16 16 GLY H H 104 7.824 7.733 0.091 1
1 155 . 3 1 1 A 16 16 GLY HA2 H 104 3.724 3.974 -0.250 1
1 156 . 3 1 1 A 16 16 GLY HA3 H 104 3.855 3.980 -0.125 1
1 157 . 3 1 1 A 16 16 GLY CA C 104 47.201 46.385 0.816 1
1 158 . 3 1 1 A 16 16 GLY N N 104 109.341 108.103 1.238 1
1 159 . 3 1 1 A 17 17 ASN H H 105 9.620 8.888 0.732 1
1 160 . 3 1 1 A 17 17 ASN HA H 105 4.562 4.839 -0.277 1
1 165 . 3 1 1 A 17 17 ASN CA C 105 54.588 53.191 1.397 1
1 166 . 3 1 1 A 17 17 ASN CB C 105 39.374 39.556 -0.182 1
1 167 . 3 1 1 A 17 17 ASN N N 105 120.357 116.162 4.195 1
1 169 . 3 1 1 A 18 18 GLY H H 106 10.621 9.309 1.312 1
1 170 . 3 1 1 A 18 18 GLY HA2 H 106 3.650 3.604 0.046 1
1 171 . 3 1 1 A 18 18 GLY HA3 H 106 4.265 3.995 0.270 1
1 172 . 3 1 1 A 18 18 GLY CA C 106 45.733 45.022 0.711 1
1 173 . 3 1 1 A 18 18 GLY N N 106 111.026 107.224 3.802 1
1 174 . 3 1 1 A 19 19 TYR H H 107 7.300 8.026 -0.726 1
1 175 . 3 1 1 A 19 19 TYR HA H 107 5.472 5.343 0.129 1
1 182 . 3 1 1 A 19 19 TYR CA C 107 56.346 56.241 0.105 1
1 183 . 3 1 1 A 19 19 TYR CB C 107 40.841 43.019 -2.178 1
1 186 . 3 1 1 A 19 19 TYR N N 107 115.597 117.772 -2.175 1
1 187 . 3 1 1 A 20 20 ILE H H 108 8.866 9.394 -0.528 1
1 188 . 3 1 1 A 20 20 ILE HA H 108 4.778 4.747 0.031 1
1 198 . 3 1 1 A 20 20 ILE CA C 108 59.275 59.061 0.214 1
1 199 . 3 1 1 A 20 20 ILE CB C 108 42.635 41.046 1.589 1
1 203 . 3 1 1 A 20 20 ILE N N 108 113.436 118.491 -5.055 1
1 204 . 3 1 1 A 21 21 SER H H 109 8.620 8.773 -0.153 1
1 205 . 3 1 1 A 21 21 SER HA H 109 5.058 4.976 0.082 1
1 208 . 3 1 1 A 21 21 SER CA C 109 57.756 59.023 -1.267 1
1 209 . 3 1 1 A 21 21 SER CB C 109 63.883 63.476 0.407 1
1 210 . 3 1 1 A 21 21 SER N N 109 117.553 120.102 -2.549 1
1 211 . 3 1 1 A 22 22 THR H H 110 8.354 8.736 -0.382 1
1 212 . 3 1 1 A 22 22 THR HA H 110 3.801 3.967 -0.166 1
1 217 . 3 1 1 A 22 22 THR CA C 110 65.633 65.680 -0.047 1
1 218 . 3 1 1 A 22 22 THR CB C 110 67.909 68.229 -0.320 1
1 220 . 3 1 1 A 22 22 THR N N 110 114.232 121.174 -6.942 1
1 221 . 3 1 1 A 23 23 ASP H H 111 8.177 7.802 0.375 1
1 222 . 3 1 1 A 23 23 ASP HA H 111 4.392 4.363 0.029 1
1 225 . 3 1 1 A 23 23 ASP CA C 111 57.779 57.347 0.432 1
1 226 . 3 1 1 A 23 23 ASP CB C 111 40.352 40.919 -0.567 1
1 227 . 3 1 1 A 23 23 ASP N N 111 120.992 122.052 -1.060 1
1 228 . 3 1 1 A 24 24 VAL H H 112 7.504 7.911 -0.407 1
1 229 . 3 1 1 A 24 24 VAL HA H 112 3.744 3.451 0.293 1
1 237 . 3 1 1 A 24 24 VAL CA C 112 65.719 66.563 -0.844 1
1 238 . 3 1 1 A 24 24 VAL CB C 112 31.741 31.563 0.178 1
1 241 . 3 1 1 A 24 24 VAL N N 112 122.123 119.718 2.405 1
1 242 . 3 1 1 A 25 25 MET H H 113 7.984 8.293 -0.309 1
1 243 . 3 1 1 A 25 25 MET HA H 113 4.069 4.014 0.055 1
1 251 . 3 1 1 A 25 25 MET CA C 113 58.552 58.459 0.093 1
1 252 . 3 1 1 A 25 25 MET CB C 113 33.504 31.894 1.610 1
1 255 . 3 1 1 A 25 25 MET N N 113 119.521 119.246 0.275 1
1 256 . 3 1 1 A 26 26 ARG H H 114 8.190 7.726 0.464 1
1 257 . 3 1 1 A 26 26 ARG HA H 114 3.745 3.983 -0.238 1
1 265 . 3 1 1 A 26 26 ARG CA C 114 60.747 59.739 1.008 1
1 266 . 3 1 1 A 26 26 ARG CB C 114 29.398 30.192 -0.794 1
1 269 . 3 1 1 A 26 26 ARG N N 114 117.832 119.179 -1.347 1
1 270 . 3 1 1 A 27 27 GLU H H 115 7.265 7.655 -0.390 1
1 271 . 3 1 1 A 27 27 GLU HA H 115 4.010 4.235 -0.225 1
1 276 . 3 1 1 A 27 27 GLU CA C 115 59.435 58.956 0.479 1
1 277 . 3 1 1 A 27 27 GLU N N 115 117.949 119.231 -1.282 1
1 278 . 3 1 1 A 28 28 ILE H H 116 8.074 7.882 0.192 1
1 279 . 3 1 1 A 28 28 ILE HA H 116 3.622 3.347 0.275 1
1 289 . 3 1 1 A 28 28 ILE CA C 116 65.633 65.632 0.001 1
1 290 . 3 1 1 A 28 28 ILE CB C 116 38.771 37.665 1.106 1
1 294 . 3 1 1 A 28 28 ILE N N 116 120.582 120.439 0.143 1
1 295 . 3 1 1 A 29 29 LEU H H 117 8.183 8.107 0.076 1
1 296 . 3 1 1 A 29 29 LEU HA H 117 3.901 3.980 -0.079 1
1 306 . 3 1 1 A 29 29 LEU CA C 117 58.103 57.953 0.150 1
1 307 . 3 1 1 A 29 29 LEU CB C 117 42.286 41.249 1.037 1
1 311 . 3 1 1 A 29 29 LEU N N 117 118.919 119.083 -0.164 1
1 312 . 3 1 1 A 30 30 ALA H H 118 7.920 7.871 0.049 1
1 313 . 3 1 1 A 30 30 ALA HA H 118 4.131 4.085 0.046 1
1 317 . 3 1 1 A 30 30 ALA CA C 118 54.588 54.970 -0.382 1
1 318 . 3 1 1 A 30 30 ALA CB C 118 18.992 18.081 0.911 1
1 319 . 3 1 1 A 30 30 ALA N N 118 119.224 122.597 -3.373 1
1 320 . 3 1 1 A 31 31 GLU H H 119 7.553 7.956 -0.403 1
1 321 . 3 1 1 A 31 31 GLU HA H 119 4.103 4.324 -0.221 1
1 326 . 3 1 1 A 31 31 GLU CA C 119 58.126 57.806 0.320 1
1 327 . 3 1 1 A 31 31 GLU CB C 119 30.080 29.729 0.351 1
1 328 . 3 1 1 A 31 31 GLU N N 119 116.043 116.401 -0.358 1
1 329 . 3 1 1 A 32 32 LEU H H 120 7.774 7.765 0.009 1
1 330 . 3 1 1 A 32 32 LEU HA H 120 4.195 4.197 -0.002 1
1 340 . 3 1 1 A 32 32 LEU CA C 120 56.946 57.219 -0.273 1
1 341 . 3 1 1 A 32 32 LEU CB C 120 42.961 42.916 0.045 1
1 345 . 3 1 1 A 32 32 LEU N N 120 119.210 120.503 -1.293 1
1 346 . 3 1 1 A 33 33 ASP H H 121 7.796 7.899 -0.103 1
1 347 . 3 1 1 A 33 33 ASP HA H 121 4.735 5.029 -0.294 1
1 350 . 3 1 1 A 33 33 ASP CA C 121 53.409 52.767 0.642 1
1 351 . 3 1 1 A 33 33 ASP CB C 121 41.168 43.076 -1.908 1
1 352 . 3 1 1 A 33 33 ASP N N 121 117.407 118.238 -0.831 1
1 353 . 3 1 1 A 34 34 GLU H H 122 8.884 8.923 -0.039 1
1 354 . 3 1 1 A 34 34 GLU HA H 122 4.463 4.298 0.165 1
1 359 . 3 1 1 A 34 34 GLU CA C 122 57.967 58.413 -0.446 1
1 360 . 3 1 1 A 34 34 GLU CB C 122 29.753 29.898 -0.145 1
1 362 . 3 1 1 A 34 34 GLU N N 122 123.975 124.967 -0.992 1
1 363 . 3 1 1 A 35 35 THR H H 123 8.608 7.593 1.015 1
1 364 . 3 1 1 A 35 35 THR HA H 123 4.347 4.257 0.090 1
1 369 . 3 1 1 A 35 35 THR CA C 123 62.804 63.609 -0.805 1
1 370 . 3 1 1 A 35 35 THR CB C 123 69.406 69.243 0.163 1
1 372 . 3 1 1 A 35 35 THR N N 123 111.220 108.745 2.475 1
1 373 . 3 1 1 A 36 36 LEU H H 124 7.104 7.435 -0.331 1
1 374 . 3 1 1 A 36 36 LEU HA H 124 4.461 4.467 -0.006 1
1 384 . 3 1 1 A 36 36 LEU CA C 124 55.174 53.876 1.298 1
1 385 . 3 1 1 A 36 36 LEU CB C 124 42.635 43.355 -0.720 1
1 389 . 3 1 1 A 36 36 LEU N N 124 122.774 122.102 0.672 1
1 390 . 3 1 1 A 37 37 SER H H 125 9.468 9.610 -0.142 1
1 391 . 3 1 1 A 37 37 SER HA H 125 4.594 4.718 -0.124 1
1 394 . 3 1 1 A 37 37 SER CA C 125 56.932 56.941 -0.009 1
1 395 . 3 1 1 A 37 37 SER CB C 125 66.119 65.695 0.424 1
1 396 . 3 1 1 A 37 37 SER N N 125 121.762 118.651 3.111 1
1 397 . 3 1 1 A 38 38 SER H H 126 8.970 8.984 -0.014 1
1 398 . 3 1 1 A 38 38 SER HA H 126 3.925 4.210 -0.285 1
1 401 . 3 1 1 A 38 38 SER CA C 126 63.004 61.366 1.638 1
1 402 . 3 1 1 A 38 38 SER CB C 126 62.364 63.025 -0.661 1
1 403 . 3 1 1 A 38 38 SER N N 126 116.391 118.208 -1.817 1
1 404 . 3 1 1 A 39 39 GLU H H 127 8.468 8.246 0.222 1
1 405 . 3 1 1 A 39 39 GLU HA H 127 4.125 4.005 0.120 1
1 410 . 3 1 1 A 39 39 GLU CA C 127 60.082 59.445 0.637 1
1 411 . 3 1 1 A 39 39 GLU CB C 127 29.427 29.149 0.278 1
1 413 . 3 1 1 A 39 39 GLU N N 127 119.790 122.368 -2.578 1
1 414 . 3 1 1 A 40 40 ASP H H 128 7.981 8.204 -0.223 1
1 415 . 3 1 1 A 40 40 ASP HA H 128 4.414 4.449 -0.035 1
1 418 . 3 1 1 A 40 40 ASP CA C 128 57.473 57.303 0.170 1
1 419 . 3 1 1 A 40 40 ASP CB C 128 41.331 40.639 0.692 1
1 420 . 3 1 1 A 40 40 ASP N N 128 122.463 120.475 1.988 1
1 421 . 3 1 1 A 41 41 LEU H H 129 8.289 7.860 0.429 1
1 422 . 3 1 1 A 41 41 LEU HA H 129 4.019 3.922 0.097 1
1 432 . 3 1 1 A 41 41 LEU CA C 129 58.603 57.971 0.632 1
1 433 . 3 1 1 A 41 41 LEU CB C 129 42.146 41.389 0.757 1
1 437 . 3 1 1 A 41 41 LEU N N 129 121.708 121.251 0.457 1
1 438 . 3 1 1 A 42 42 ASP H H 130 8.353 8.119 0.234 1
1 439 . 3 1 1 A 42 42 ASP HA H 130 4.225 4.276 -0.051 1
1 442 . 3 1 1 A 42 42 ASP CA C 130 57.797 57.747 0.050 1
1 443 . 3 1 1 A 42 42 ASP CB C 130 40.352 41.218 -0.866 1
1 444 . 3 1 1 A 42 42 ASP N N 130 119.133 118.849 0.284 1
1 445 . 3 1 1 A 43 43 ALA H H 131 7.675 8.167 -0.492 1
1 446 . 3 1 1 A 43 43 ALA HA H 131 4.196 4.048 0.148 1
1 450 . 3 1 1 A 43 43 ALA CA C 131 55.002 55.431 -0.429 1
1 451 . 3 1 1 A 43 43 ALA CB C 131 18.267 17.794 0.473 1
1 452 . 3 1 1 A 43 43 ALA N N 131 121.142 121.629 -0.487 1
1 453 . 3 1 1 A 44 44 MET H H 132 8.039 8.618 -0.579 1
1 454 . 3 1 1 A 44 44 MET HA H 132 4.153 4.155 -0.002 1
1 462 . 3 1 1 A 44 44 MET CA C 132 59.435 58.461 0.974 1
1 463 . 3 1 1 A 44 44 MET CB C 132 33.830 32.877 0.953 1
1 466 . 3 1 1 A 44 44 MET N N 132 118.616 116.468 2.148 1
1 467 . 3 1 1 A 45 45 ILE H H 133 8.322 7.959 0.363 1
1 468 . 3 1 1 A 45 45 ILE HA H 133 3.718 3.714 0.004 1
1 478 . 3 1 1 A 45 45 ILE CA C 133 62.804 65.511 -2.707 1
1 479 . 3 1 1 A 45 45 ILE CB C 133 35.787 37.379 -1.592 1
1 483 . 3 1 1 A 45 45 ILE N N 133 119.464 119.426 0.038 1
1 484 . 3 1 1 A 46 46 ASP H H 134 7.995 8.038 -0.043 1
1 485 . 3 1 1 A 46 46 ASP HA H 134 4.340 4.438 -0.098 1
1 488 . 3 1 1 A 46 46 ASP CA C 134 57.317 56.940 0.377 1
1 489 . 3 1 1 A 46 46 ASP CB C 134 41.005 41.109 -0.104 1
1 490 . 3 1 1 A 47 47 GLU H H 135 7.371 7.868 -0.497 1
1 491 . 3 1 1 A 47 47 GLU HA H 135 4.106 4.551 -0.445 1
1 496 . 3 1 1 A 47 47 GLU CA C 135 58.543 56.043 2.500 1
1 497 . 3 1 1 A 47 47 GLU CB C 135 29.916 30.189 -0.273 1
1 499 . 3 1 1 A 47 47 GLU N N 135 116.443 115.129 1.314 1
1 500 . 3 1 1 A 48 48 ILE H H 136 8.523 7.973 0.550 1
1 501 . 3 1 1 A 48 48 ILE HA H 136 4.000 4.232 -0.232 1
1 511 . 3 1 1 A 48 48 ILE CA C 136 63.676 62.703 0.973 1
1 512 . 3 1 1 A 48 48 ILE CB C 136 39.357 38.492 0.865 1
1 516 . 3 1 1 A 48 48 ILE N N 136 121.250 119.231 2.019 1
1 517 . 3 1 1 A 49 49 ASP H H 137 7.840 7.792 0.048 1
1 518 . 3 1 1 A 49 49 ASP HA H 137 5.106 4.355 0.751 1
1 521 . 3 1 1 A 49 49 ASP CA C 137 52.581 56.216 -3.635 1
1 522 . 3 1 1 A 49 49 ASP CB C 137 40.189 39.391 0.798 1
1 523 . 3 1 1 A 49 49 ASP N N 137 117.820 121.686 -3.866 1
1 524 . 3 1 1 A 50 50 ALA H H 138 7.846 8.323 -0.477 1
1 525 . 3 1 1 A 50 50 ALA HA H 138 4.181 4.475 -0.294 1
1 529 . 3 1 1 A 50 50 ALA CA C 138 55.346 52.692 2.654 1
1 530 . 3 1 1 A 50 50 ALA CB C 138 19.318 19.585 -0.267 1
1 531 . 3 1 1 A 50 50 ALA N N 138 125.638 121.724 3.914 1
1 532 . 3 1 1 A 51 51 ASP H H 139 8.485 7.901 0.584 1
1 533 . 3 1 1 A 51 51 ASP HA H 139 4.653 4.903 -0.250 1
1 536 . 3 1 1 A 51 51 ASP CB C 139 40.841 42.727 -1.886 1
1 537 . 3 1 1 A 51 51 ASP N N 139 113.885 114.780 -0.895 1
1 538 . 3 1 1 A 52 52 GLY H H 140 7.900 8.023 -0.123 1
1 539 . 3 1 1 A 52 52 GLY HA2 H 140 3.845 3.844 0.001 1
1 540 . 3 1 1 A 52 52 GLY HA3 H 140 3.845 3.871 -0.026 1
1 541 . 3 1 1 A 52 52 GLY CA C 140 47.527 46.971 0.556 1
1 542 . 3 1 1 A 52 52 GLY N N 140 113.060 107.158 5.902 1
1 543 . 3 1 1 A 53 53 SER H H 141 9.150 8.944 0.206 1
1 544 . 3 1 1 A 53 53 SER HA H 141 4.227 4.192 0.035 1
1 547 . 3 1 1 A 53 53 SER CA C 141 60.461 59.103 1.358 1
1 548 . 3 1 1 A 53 53 SER CB C 141 64.645 61.768 2.877 1
1 549 . 3 1 1 A 53 53 SER N N 141 117.771 117.416 0.355 1
1 550 . 3 1 1 A 54 54 GLY H H 142 10.554 8.491 2.063 1
1 551 . 3 1 1 A 54 54 GLY HA2 H 142 3.781 3.940 -0.159 1
1 552 . 3 1 1 A 54 54 GLY HA3 H 142 4.210 3.941 0.269 1
1 553 . 3 1 1 A 54 54 GLY CA C 142 46.222 46.648 -0.426 1
1 554 . 3 1 1 A 54 54 GLY N N 142 115.432 105.874 9.558 1
1 555 . 3 1 1 A 55 55 THR H H 143 7.940 7.831 0.109 1
1 556 . 3 1 1 A 55 55 THR HA H 143 5.081 4.605 0.476 1
1 561 . 3 1 1 A 55 55 THR CA C 143 59.861 60.892 -1.031 1
1 562 . 3 1 1 A 55 55 THR CB C 143 72.835 68.424 4.411 1
1 564 . 3 1 1 A 55 55 THR N N 143 110.471 111.457 -0.986 1
1 565 . 3 1 1 A 56 56 VAL H H 144 9.090 9.103 -0.013 1
1 566 . 3 1 1 A 56 56 VAL HA H 144 4.553 4.349 0.204 1
1 574 . 3 1 1 A 56 56 VAL CA C 144 61.032 62.893 -1.861 1
1 575 . 3 1 1 A 56 56 VAL CB C 144 35.256 31.853 3.403 1
1 578 . 3 1 1 A 56 56 VAL N N 144 119.565 127.574 -8.009 1
1 579 . 3 1 1 A 57 57 ASP H H 145 8.870 8.887 -0.017 1
1 580 . 3 1 1 A 57 57 ASP HA H 145 5.088 5.389 -0.301 1
1 583 . 3 1 1 A 57 57 ASP CA C 145 53.231 52.416 0.815 1
1 584 . 3 1 1 A 57 57 ASP CB C 145 42.146 41.189 0.957 1
1 585 . 3 1 1 A 57 57 ASP N N 145 126.198 129.165 -2.967 1
1 586 . 3 1 1 A 58 58 PHE H H 146 8.223 9.155 -0.932 1
1 587 . 3 1 1 A 58 58 PHE HA H 146 3.538 3.917 -0.379 1
1 595 . 3 1 1 A 58 58 PHE CA C 146 61.718 60.904 0.814 1
1 596 . 3 1 1 A 58 58 PHE CB C 146 39.211 38.006 1.205 1
1 600 . 3 1 1 A 59 59 GLU H H 147 8.347 7.371 0.976 1
1 601 . 3 1 1 A 59 59 GLU HA H 147 3.746 3.812 -0.066 1
1 606 . 3 1 1 A 59 59 GLU CA C 147 60.061 59.562 0.499 1
1 607 . 3 1 1 A 59 59 GLU CB C 147 29.101 28.839 0.262 1
1 609 . 3 1 1 A 59 59 GLU N N 147 118.710 120.663 -1.953 1
1 610 . 3 1 1 A 60 60 GLU H H 148 8.380 7.778 0.602 1
1 611 . 3 1 1 A 60 60 GLU HA H 148 4.037 4.012 0.025 1
1 616 . 3 1 1 A 60 60 GLU CA C 148 59.920 59.524 0.396 1
1 617 . 3 1 1 A 60 60 GLU CB C 148 30.080 29.530 0.550 1
1 618 . 3 1 1 A 60 60 GLU N N 148 121.774 119.496 2.278 1
1 619 . 3 1 1 A 61 61 PHE H H 149 8.421 8.683 -0.262 1
1 620 . 3 1 1 A 61 61 PHE HA H 149 4.083 4.179 -0.096 1
1 628 . 3 1 1 A 61 61 PHE CA C 149 61.232 61.291 -0.059 1
1 629 . 3 1 1 A 61 61 PHE CB C 149 39.863 39.147 0.716 1
1 633 . 3 1 1 A 61 61 PHE N N 149 121.039 120.838 0.201 1
1 634 . 3 1 1 A 62 62 MET H H 150 8.446 8.056 0.390 1
1 635 . 3 1 1 A 62 62 MET HA H 150 3.857 3.941 -0.084 1
1 643 . 3 1 1 A 62 62 MET CA C 150 57.310 58.397 -1.087 1
1 644 . 3 1 1 A 62 62 MET CB C 150 31.221 32.037 -0.816 1
1 647 . 3 1 1 A 62 62 MET N N 150 117.673 117.850 -0.177 1
1 648 . 3 1 1 A 63 63 GLY H H 151 7.889 8.585 -0.696 1
1 649 . 3 1 1 A 63 63 GLY HA2 H 151 3.774 3.735 0.039 1
1 650 . 3 1 1 A 63 63 GLY HA3 H 151 3.871 3.741 0.130 1
1 651 . 3 1 1 A 63 63 GLY CA C 151 47.038 47.429 -0.391 1
1 652 . 3 1 1 A 63 63 GLY N N 151 107.497 107.726 -0.229 1
1 653 . 3 1 1 A 64 64 VAL H H 152 7.571 8.372 -0.801 1
1 654 . 3 1 1 A 64 64 VAL HA H 152 3.937 3.947 -0.010 1
1 662 . 3 1 1 A 64 64 VAL CA C 152 64.547 63.871 0.676 1
1 663 . 3 1 1 A 64 64 VAL CB C 152 32.362 31.623 0.739 1
1 666 . 3 1 1 A 64 64 VAL N N 152 119.340 121.771 -2.431 1
1 667 . 3 1 1 A 65 65 MET H H 153 7.773 7.360 0.413 1
1 668 . 3 1 1 A 65 65 MET HA H 153 4.367 4.507 -0.140 1
1 676 . 3 1 1 A 65 65 MET CA C 153 55.874 57.659 -1.785 1
1 677 . 3 1 1 A 65 65 MET CB C 153 32.525 33.165 -0.640 1
1 680 . 3 1 1 A 65 65 MET N N 153 117.775 120.759 -2.984 1
1 681 . 3 1 1 A 66 66 THR H H 154 7.789 8.286 -0.497 1
1 682 . 3 1 1 A 66 66 THR HA H 154 4.403 4.175 0.228 1
1 687 . 3 1 1 A 66 66 THR CA C 154 62.204 64.465 -2.261 1
1 688 . 3 1 1 A 66 66 THR CB C 154 70.577 68.821 1.756 1
1 690 . 3 1 1 A 66 66 THR N N 154 110.197 112.033 -1.836 1
1 691 . 3 1 1 A 67 67 GLY H H 155 7.961 7.521 0.440 1
1 692 . 3 1 1 A 67 67 GLY HA2 H 155 4.017 3.900 0.117 1
1 693 . 3 1 1 A 67 67 GLY HA3 H 155 4.017 3.902 0.115 1
1 694 . 3 1 1 A 67 67 GLY CA C 155 45.896 46.831 -0.935 1
1 695 . 3 1 1 A 67 67 GLY N N 155 110.658 109.077 1.581 1
1 696 . 3 1 1 A 68 68 GLY H H 156 8.313 7.996 0.317 1
1 697 . 3 1 1 A 68 68 GLY HA2 H 156 3.990 4.071 -0.081 1
1 698 . 3 1 1 A 68 68 GLY HA3 H 156 3.990 4.075 -0.085 1
1 699 . 3 1 1 A 68 68 GLY CA C 156 45.407 45.198 0.209 1
1 700 . 3 1 1 A 68 68 GLY N N 156 108.792 110.169 -1.377 1
1 701 . 3 1 1 A 69 69 ASP H H 157 8.290 8.012 0.278 1
1 702 . 3 1 1 A 69 69 ASP HA H 157 4.666 4.646 0.020 1
1 705 . 3 1 1 A 69 69 ASP CA C 157 54.588 54.185 0.403 1
1 706 . 3 1 1 A 69 69 ASP CB C 157 41.700 42.054 -0.354 1
1 707 . 3 1 1 A 69 69 ASP N N 157 120.766 120.800 -0.034 1
1 3 . 4 1 1 A 2 2 GLN H H 90 8.276 8.424 -0.148 1
1 6 . 4 1 1 A 2 2 GLN N N 90 118.747 119.636 -0.889 1
1 8 . 4 1 1 A 3 3 GLN H H 91 8.199 8.766 -0.567 1
1 11 . 4 1 1 A 3 3 GLN N N 91 120.090 125.184 -5.094 1
1 13 . 4 1 1 A 4 4 GLU H H 92 8.454 8.402 0.052 1
1 14 . 4 1 1 A 4 4 GLU N N 92 120.250 123.355 -3.105 1
1 15 . 4 1 1 A 5 5 LEU H H 93 8.410 8.578 -0.168 1
1 16 . 4 1 1 A 5 5 LEU HA H 93 4.255 4.305 -0.050 1
1 26 . 4 1 1 A 5 5 LEU CA C 93 58.103 57.524 0.579 1
1 27 . 4 1 1 A 5 5 LEU CB C 93 42.309 41.363 0.946 1
1 31 . 4 1 1 A 5 5 LEU N N 93 121.261 127.076 -5.815 1
1 32 . 4 1 1 A 6 6 ARG H H 94 8.345 8.773 -0.428 1
1 33 . 4 1 1 A 6 6 ARG HA H 94 4.061 4.155 -0.094 1
1 41 . 4 1 1 A 6 6 ARG CA C 94 60.241 58.628 1.613 1
1 42 . 4 1 1 A 6 6 ARG CB C 94 30.080 29.855 0.225 1
1 45 . 4 1 1 A 6 6 ARG N N 94 119.790 118.573 1.217 1
1 46 . 4 1 1 A 7 7 GLU H H 95 8.010 8.180 -0.170 1
1 47 . 4 1 1 A 7 7 GLU HA H 95 4.122 4.095 0.027 1
1 52 . 4 1 1 A 7 7 GLU CA C 95 59.861 59.638 0.223 1
1 53 . 4 1 1 A 7 7 GLU CB C 95 28.812 29.382 -0.570 1
1 54 . 4 1 1 A 7 7 GLU N N 95 118.474 119.980 -1.506 1
1 55 . 4 1 1 A 8 8 ALA H H 96 8.052 7.770 0.282 1
1 56 . 4 1 1 A 8 8 ALA HA H 96 4.199 4.187 0.012 1
1 60 . 4 1 1 A 8 8 ALA CA C 96 55.174 54.965 0.209 1
1 61 . 4 1 1 A 8 8 ALA CB C 96 18.502 18.545 -0.043 1
1 62 . 4 1 1 A 8 8 ALA N N 96 122.505 122.671 -0.166 1
1 63 . 4 1 1 A 9 9 PHE H H 97 8.432 7.912 0.520 1
1 64 . 4 1 1 A 9 9 PHE HA H 97 3.803 4.016 -0.213 1
1 72 . 4 1 1 A 9 9 PHE CA C 97 61.732 61.530 0.202 1
1 73 . 4 1 1 A 9 9 PHE CB C 97 39.537 39.254 0.283 1
1 77 . 4 1 1 A 9 9 PHE N N 97 117.510 119.982 -2.472 1
1 78 . 4 1 1 A 10 10 ARG H H 98 7.840 8.671 -0.831 1
1 79 . 4 1 1 A 10 10 ARG HA H 98 3.955 3.908 0.047 1
1 86 . 4 1 1 A 10 10 ARG CA C 98 59.109 59.185 -0.076 1
1 87 . 4 1 1 A 10 10 ARG CB C 98 30.243 29.880 0.363 1
1 90 . 4 1 1 A 10 10 ARG N N 98 116.256 117.484 -1.228 1
1 91 . 4 1 1 A 11 11 LEU H H 99 7.578 7.779 -0.201 1
1 92 . 4 1 1 A 11 11 LEU HA H 99 3.958 3.823 0.135 1
1 102 . 4 1 1 A 11 11 LEU CA C 99 57.310 57.795 -0.485 1
1 103 . 4 1 1 A 11 11 LEU CB C 99 41.820 41.499 0.321 1
1 107 . 4 1 1 A 11 11 LEU N N 99 118.446 118.850 -0.404 1
1 108 . 4 1 1 A 12 12 TYR H H 100 7.523 7.056 0.467 1
1 109 . 4 1 1 A 12 12 TYR HA H 100 4.369 4.239 0.130 1
1 116 . 4 1 1 A 12 12 TYR CA C 100 59.861 61.653 -1.792 1
1 117 . 4 1 1 A 12 12 TYR CB C 100 39.700 37.872 1.828 1
1 120 . 4 1 1 A 12 12 TYR N N 100 116.280 116.937 -0.657 1
1 121 . 4 1 1 A 13 13 ASP H H 101 7.945 8.704 -0.759 1
1 122 . 4 1 1 A 13 13 ASP HA H 101 4.787 4.300 0.487 1
1 125 . 4 1 1 A 13 13 ASP CA C 101 52.245 57.473 -5.228 1
1 126 . 4 1 1 A 13 13 ASP CB C 101 39.537 41.199 -1.662 1
1 127 . 4 1 1 A 13 13 ASP N N 101 121.756 122.061 -0.305 1
1 128 . 4 1 1 A 14 14 LYS H H 102 7.858 8.003 -0.145 1
1 129 . 4 1 1 A 14 14 LYS HA H 102 4.033 3.935 0.098 1
1 138 . 4 1 1 A 14 14 LYS CA C 102 59.269 58.904 0.365 1
1 139 . 4 1 1 A 14 14 LYS CB C 102 32.688 31.661 1.027 1
1 143 . 4 1 1 A 14 14 LYS N N 102 123.213 119.142 4.071 1
1 144 . 4 1 1 A 15 15 GLU H H 103 8.640 7.362 1.278 1
1 145 . 4 1 1 A 15 15 GLU HA H 103 4.218 4.176 0.042 1
1 150 . 4 1 1 A 15 15 GLU CA C 103 56.981 57.901 -0.920 1
1 151 . 4 1 1 A 15 15 GLU CB C 103 29.753 30.302 -0.549 1
1 153 . 4 1 1 A 15 15 GLU N N 103 116.301 118.001 -1.700 1
1 154 . 4 1 1 A 16 16 GLY H H 104 7.824 7.341 0.483 1
1 155 . 4 1 1 A 16 16 GLY HA2 H 104 3.724 4.045 -0.321 1
1 156 . 4 1 1 A 16 16 GLY HA3 H 104 3.855 4.046 -0.191 1
1 157 . 4 1 1 A 16 16 GLY CA C 104 47.201 45.820 1.381 1
1 158 . 4 1 1 A 16 16 GLY N N 104 109.341 105.206 4.135 1
1 159 . 4 1 1 A 17 17 ASN H H 105 9.620 8.379 1.241 1
1 160 . 4 1 1 A 17 17 ASN HA H 105 4.562 5.486 -0.924 1
1 165 . 4 1 1 A 17 17 ASN CA C 105 54.588 51.677 2.911 1
1 166 . 4 1 1 A 17 17 ASN CB C 105 39.374 41.770 -2.396 1
1 167 . 4 1 1 A 17 17 ASN N N 105 120.357 120.085 0.272 1
1 169 . 4 1 1 A 18 18 GLY H H 106 10.621 8.725 1.896 1
1 170 . 4 1 1 A 18 18 GLY HA2 H 106 3.650 3.939 -0.289 1
1 171 . 4 1 1 A 18 18 GLY HA3 H 106 4.265 3.993 0.272 1
1 172 . 4 1 1 A 18 18 GLY CA C 106 45.733 45.727 0.006 1
1 173 . 4 1 1 A 18 18 GLY N N 106 111.026 109.726 1.300 1
1 174 . 4 1 1 A 19 19 TYR H H 107 7.300 7.826 -0.526 1
1 175 . 4 1 1 A 19 19 TYR HA H 107 5.472 5.555 -0.083 1
1 182 . 4 1 1 A 19 19 TYR CA C 107 56.346 56.353 -0.007 1
1 183 . 4 1 1 A 19 19 TYR CB C 107 40.841 40.431 0.410 1
1 186 . 4 1 1 A 19 19 TYR N N 107 115.597 119.585 -3.988 1
1 187 . 4 1 1 A 20 20 ILE H H 108 8.866 9.105 -0.239 1
1 188 . 4 1 1 A 20 20 ILE HA H 108 4.778 4.775 0.003 1
1 198 . 4 1 1 A 20 20 ILE CA C 108 59.275 59.923 -0.648 1
1 199 . 4 1 1 A 20 20 ILE CB C 108 42.635 39.313 3.322 1
1 203 . 4 1 1 A 20 20 ILE N N 108 113.436 121.365 -7.929 1
1 204 . 4 1 1 A 21 21 SER H H 109 8.620 8.758 -0.138 1
1 205 . 4 1 1 A 21 21 SER HA H 109 5.058 4.768 0.290 1
1 208 . 4 1 1 A 21 21 SER CA C 109 57.756 59.631 -1.875 1
1 209 . 4 1 1 A 21 21 SER CB C 109 63.883 63.472 0.411 1
1 210 . 4 1 1 A 21 21 SER N N 109 117.553 121.516 -3.963 1
1 211 . 4 1 1 A 22 22 THR H H 110 8.354 8.895 -0.541 1
1 212 . 4 1 1 A 22 22 THR HA H 110 3.801 3.994 -0.193 1
1 217 . 4 1 1 A 22 22 THR CA C 110 65.633 65.398 0.235 1
1 218 . 4 1 1 A 22 22 THR CB C 110 67.909 68.310 -0.401 1
1 220 . 4 1 1 A 22 22 THR N N 110 114.232 118.386 -4.154 1
1 221 . 4 1 1 A 23 23 ASP H H 111 8.177 7.939 0.238 1
1 222 . 4 1 1 A 23 23 ASP HA H 111 4.392 4.322 0.070 1
1 225 . 4 1 1 A 23 23 ASP CA C 111 57.779 57.056 0.723 1
1 226 . 4 1 1 A 23 23 ASP CB C 111 40.352 40.782 -0.430 1
1 227 . 4 1 1 A 23 23 ASP N N 111 120.992 122.387 -1.395 1
1 228 . 4 1 1 A 24 24 VAL H H 112 7.504 8.097 -0.593 1
1 229 . 4 1 1 A 24 24 VAL HA H 112 3.744 3.693 0.051 1
1 237 . 4 1 1 A 24 24 VAL CA C 112 65.719 66.485 -0.766 1
1 238 . 4 1 1 A 24 24 VAL CB C 112 31.741 31.026 0.715 1
1 241 . 4 1 1 A 24 24 VAL N N 112 122.123 119.978 2.145 1
1 242 . 4 1 1 A 25 25 MET H H 113 7.984 7.917 0.067 1
1 243 . 4 1 1 A 25 25 MET HA H 113 4.069 4.108 -0.039 1
1 251 . 4 1 1 A 25 25 MET CA C 113 58.552 58.489 0.063 1
1 252 . 4 1 1 A 25 25 MET CB C 113 33.504 31.665 1.839 1
1 255 . 4 1 1 A 25 25 MET N N 113 119.521 119.767 -0.246 1
1 256 . 4 1 1 A 26 26 ARG H H 114 8.190 7.803 0.387 1
1 257 . 4 1 1 A 26 26 ARG HA H 114 3.745 4.069 -0.324 1
1 265 . 4 1 1 A 26 26 ARG CA C 114 60.747 59.481 1.266 1
1 266 . 4 1 1 A 26 26 ARG CB C 114 29.398 29.999 -0.601 1
1 269 . 4 1 1 A 26 26 ARG N N 114 117.832 119.094 -1.262 1
1 270 . 4 1 1 A 27 27 GLU H H 115 7.265 7.834 -0.569 1
1 271 . 4 1 1 A 27 27 GLU HA H 115 4.010 4.030 -0.020 1
1 276 . 4 1 1 A 27 27 GLU CA C 115 59.435 59.041 0.394 1
1 277 . 4 1 1 A 27 27 GLU N N 115 117.949 119.886 -1.937 1
1 278 . 4 1 1 A 28 28 ILE H H 116 8.074 7.951 0.123 1
1 279 . 4 1 1 A 28 28 ILE HA H 116 3.622 3.716 -0.094 1
1 289 . 4 1 1 A 28 28 ILE CA C 116 65.633 65.539 0.094 1
1 290 . 4 1 1 A 28 28 ILE CB C 116 38.771 38.097 0.674 1
1 294 . 4 1 1 A 28 28 ILE N N 116 120.582 120.597 -0.015 1
1 295 . 4 1 1 A 29 29 LEU H H 117 8.183 8.106 0.077 1
1 296 . 4 1 1 A 29 29 LEU HA H 117 3.901 4.123 -0.222 1
1 306 . 4 1 1 A 29 29 LEU CA C 117 58.103 57.656 0.447 1
1 307 . 4 1 1 A 29 29 LEU CB C 117 42.286 41.280 1.006 1
1 311 . 4 1 1 A 29 29 LEU N N 117 118.919 118.614 0.305 1
1 312 . 4 1 1 A 30 30 ALA H H 118 7.920 8.172 -0.252 1
1 313 . 4 1 1 A 30 30 ALA HA H 118 4.131 4.048 0.083 1
1 317 . 4 1 1 A 30 30 ALA CA C 118 54.588 54.936 -0.348 1
1 318 . 4 1 1 A 30 30 ALA CB C 118 18.992 17.999 0.993 1
1 319 . 4 1 1 A 30 30 ALA N N 118 119.224 122.384 -3.160 1
1 320 . 4 1 1 A 31 31 GLU H H 119 7.553 7.482 0.071 1
1 321 . 4 1 1 A 31 31 GLU HA H 119 4.103 4.107 -0.004 1
1 326 . 4 1 1 A 31 31 GLU CA C 119 58.126 58.671 -0.545 1
1 327 . 4 1 1 A 31 31 GLU CB C 119 30.080 29.256 0.824 1
1 328 . 4 1 1 A 31 31 GLU N N 119 116.043 118.255 -2.212 1
1 329 . 4 1 1 A 32 32 LEU H H 120 7.774 7.970 -0.196 1
1 330 . 4 1 1 A 32 32 LEU HA H 120 4.195 4.059 0.136 1
1 340 . 4 1 1 A 32 32 LEU CA C 120 56.946 58.092 -1.146 1
1 341 . 4 1 1 A 32 32 LEU CB C 120 42.961 41.943 1.018 1
1 345 . 4 1 1 A 32 32 LEU N N 120 119.210 120.783 -1.573 1
1 346 . 4 1 1 A 33 33 ASP H H 121 7.796 7.626 0.170 1
1 347 . 4 1 1 A 33 33 ASP HA H 121 4.735 4.752 -0.017 1
1 350 . 4 1 1 A 33 33 ASP CA C 121 53.409 53.866 -0.457 1
1 351 . 4 1 1 A 33 33 ASP CB C 121 41.168 42.681 -1.513 1
1 352 . 4 1 1 A 33 33 ASP N N 121 117.407 118.891 -1.484 1
1 353 . 4 1 1 A 34 34 GLU H H 122 8.884 9.004 -0.120 1
1 354 . 4 1 1 A 34 34 GLU HA H 122 4.463 4.157 0.306 1
1 359 . 4 1 1 A 34 34 GLU CA C 122 57.967 58.302 -0.335 1
1 360 . 4 1 1 A 34 34 GLU CB C 122 29.753 29.609 0.144 1
1 362 . 4 1 1 A 34 34 GLU N N 122 123.975 122.767 1.208 1
1 363 . 4 1 1 A 35 35 THR H H 123 8.608 8.372 0.236 1
1 364 . 4 1 1 A 35 35 THR HA H 123 4.347 4.589 -0.242 1
1 369 . 4 1 1 A 35 35 THR CA C 123 62.804 61.010 1.794 1
1 370 . 4 1 1 A 35 35 THR CB C 123 69.406 70.192 -0.786 1
1 372 . 4 1 1 A 35 35 THR N N 123 111.220 115.305 -4.085 1
1 373 . 4 1 1 A 36 36 LEU H H 124 7.104 7.397 -0.293 1
1 374 . 4 1 1 A 36 36 LEU HA H 124 4.461 4.136 0.325 1
1 384 . 4 1 1 A 36 36 LEU CA C 124 55.174 54.983 0.191 1
1 385 . 4 1 1 A 36 36 LEU CB C 124 42.635 41.207 1.428 1
1 389 . 4 1 1 A 36 36 LEU N N 124 122.774 124.300 -1.526 1
1 390 . 4 1 1 A 37 37 SER H H 125 9.468 8.898 0.570 1
1 391 . 4 1 1 A 37 37 SER HA H 125 4.594 4.522 0.072 1
1 394 . 4 1 1 A 37 37 SER CA C 125 56.932 57.964 -1.032 1
1 395 . 4 1 1 A 37 37 SER CB C 125 66.119 64.223 1.896 1
1 396 . 4 1 1 A 37 37 SER N N 125 121.762 121.005 0.757 1
1 397 . 4 1 1 A 38 38 SER H H 126 8.970 8.969 0.001 1
1 398 . 4 1 1 A 38 38 SER HA H 126 3.925 4.106 -0.181 1
1 401 . 4 1 1 A 38 38 SER CA C 126 63.004 62.087 0.917 1
1 402 . 4 1 1 A 38 38 SER CB C 126 62.364 62.869 -0.505 1
1 403 . 4 1 1 A 38 38 SER N N 126 116.391 119.156 -2.765 1
1 404 . 4 1 1 A 39 39 GLU H H 127 8.468 8.408 0.060 1
1 405 . 4 1 1 A 39 39 GLU HA H 127 4.125 4.032 0.093 1
1 410 . 4 1 1 A 39 39 GLU CA C 127 60.082 59.572 0.510 1
1 411 . 4 1 1 A 39 39 GLU CB C 127 29.427 29.036 0.391 1
1 413 . 4 1 1 A 39 39 GLU N N 127 119.790 121.772 -1.982 1
1 414 . 4 1 1 A 40 40 ASP H H 128 7.981 8.085 -0.104 1
1 415 . 4 1 1 A 40 40 ASP HA H 128 4.414 4.403 0.011 1
1 418 . 4 1 1 A 40 40 ASP CA C 128 57.473 57.526 -0.053 1
1 419 . 4 1 1 A 40 40 ASP CB C 128 41.331 41.048 0.283 1
1 420 . 4 1 1 A 40 40 ASP N N 128 122.463 120.466 1.997 1
1 421 . 4 1 1 A 41 41 LEU H H 129 8.289 7.862 0.427 1
1 422 . 4 1 1 A 41 41 LEU HA H 129 4.019 4.149 -0.130 1
1 432 . 4 1 1 A 41 41 LEU CA C 129 58.603 57.958 0.645 1
1 433 . 4 1 1 A 41 41 LEU CB C 129 42.146 41.330 0.816 1
1 437 . 4 1 1 A 41 41 LEU N N 129 121.708 120.866 0.842 1
1 438 . 4 1 1 A 42 42 ASP H H 130 8.353 8.708 -0.355 1
1 439 . 4 1 1 A 42 42 ASP HA H 130 4.225 4.484 -0.259 1
1 442 . 4 1 1 A 42 42 ASP CA C 130 57.797 58.345 -0.548 1
1 443 . 4 1 1 A 42 42 ASP CB C 130 40.352 42.047 -1.695 1
1 444 . 4 1 1 A 42 42 ASP N N 130 119.133 119.259 -0.126 1
1 445 . 4 1 1 A 43 43 ALA H H 131 7.675 7.803 -0.128 1
1 446 . 4 1 1 A 43 43 ALA HA H 131 4.196 4.100 0.096 1
1 450 . 4 1 1 A 43 43 ALA CA C 131 55.002 54.828 0.174 1
1 451 . 4 1 1 A 43 43 ALA CB C 131 18.267 18.258 0.009 1
1 452 . 4 1 1 A 43 43 ALA N N 131 121.142 121.027 0.115 1
1 453 . 4 1 1 A 44 44 MET H H 132 8.039 7.627 0.412 1
1 454 . 4 1 1 A 44 44 MET HA H 132 4.153 4.443 -0.290 1
1 462 . 4 1 1 A 44 44 MET CA C 132 59.435 57.662 1.773 1
1 463 . 4 1 1 A 44 44 MET CB C 132 33.830 32.322 1.508 1
1 466 . 4 1 1 A 44 44 MET N N 132 118.616 116.188 2.428 1
1 467 . 4 1 1 A 45 45 ILE H H 133 8.322 8.286 0.036 1
1 468 . 4 1 1 A 45 45 ILE HA H 133 3.718 3.679 0.039 1
1 478 . 4 1 1 A 45 45 ILE CA C 133 62.804 65.611 -2.807 1
1 479 . 4 1 1 A 45 45 ILE CB C 133 35.787 37.374 -1.587 1
1 483 . 4 1 1 A 45 45 ILE N N 133 119.464 120.766 -1.302 1
1 484 . 4 1 1 A 46 46 ASP H H 134 7.995 8.395 -0.400 1
1 485 . 4 1 1 A 46 46 ASP HA H 134 4.340 4.399 -0.059 1
1 488 . 4 1 1 A 46 46 ASP CA C 134 57.317 57.363 -0.046 1
1 489 . 4 1 1 A 46 46 ASP CB C 134 41.005 42.139 -1.134 1
1 490 . 4 1 1 A 47 47 GLU H H 135 7.371 7.510 -0.139 1
1 491 . 4 1 1 A 47 47 GLU HA H 135 4.106 4.101 0.005 1
1 496 . 4 1 1 A 47 47 GLU CA C 135 58.543 58.656 -0.113 1
1 497 . 4 1 1 A 47 47 GLU CB C 135 29.916 29.329 0.587 1
1 499 . 4 1 1 A 47 47 GLU N N 135 116.443 118.846 -2.403 1
1 500 . 4 1 1 A 48 48 ILE H H 136 8.523 7.454 1.069 1
1 501 . 4 1 1 A 48 48 ILE HA H 136 4.000 4.127 -0.127 1
1 511 . 4 1 1 A 48 48 ILE CA C 136 63.676 63.754 -0.078 1
1 512 . 4 1 1 A 48 48 ILE CB C 136 39.357 38.603 0.754 1
1 516 . 4 1 1 A 48 48 ILE N N 136 121.250 118.415 2.835 1
1 517 . 4 1 1 A 49 49 ASP H H 137 7.840 8.250 -0.410 1
1 518 . 4 1 1 A 49 49 ASP HA H 137 5.106 4.502 0.604 1
1 521 . 4 1 1 A 49 49 ASP CA C 137 52.581 54.469 -1.888 1
1 522 . 4 1 1 A 49 49 ASP CB C 137 40.189 40.892 -0.703 1
1 523 . 4 1 1 A 49 49 ASP N N 137 117.820 120.877 -3.057 1
1 524 . 4 1 1 A 50 50 ALA H H 138 7.846 8.487 -0.641 1
1 525 . 4 1 1 A 50 50 ALA HA H 138 4.181 4.676 -0.495 1
1 529 . 4 1 1 A 50 50 ALA CA C 138 55.346 51.455 3.891 1
1 530 . 4 1 1 A 50 50 ALA CB C 138 19.318 20.110 -0.792 1
1 531 . 4 1 1 A 50 50 ALA N N 138 125.638 128.467 -2.829 1
1 532 . 4 1 1 A 51 51 ASP H H 139 8.485 8.209 0.276 1
1 533 . 4 1 1 A 51 51 ASP HA H 139 4.653 4.878 -0.225 1
1 536 . 4 1 1 A 51 51 ASP CB C 139 40.841 41.525 -0.684 1
1 537 . 4 1 1 A 51 51 ASP N N 139 113.885 118.770 -4.885 1
1 538 . 4 1 1 A 52 52 GLY H H 140 7.900 8.575 -0.675 1
1 539 . 4 1 1 A 52 52 GLY HA2 H 140 3.845 3.921 -0.076 1
1 540 . 4 1 1 A 52 52 GLY HA3 H 140 3.845 3.933 -0.088 1
1 541 . 4 1 1 A 52 52 GLY CA C 140 47.527 46.728 0.799 1
1 542 . 4 1 1 A 52 52 GLY N N 140 113.060 108.374 4.686 1
1 543 . 4 1 1 A 53 53 SER H H 141 9.150 9.031 0.119 1
1 544 . 4 1 1 A 53 53 SER HA H 141 4.227 4.205 0.022 1
1 547 . 4 1 1 A 53 53 SER CA C 141 60.461 59.501 0.960 1
1 548 . 4 1 1 A 53 53 SER CB C 141 64.645 61.757 2.888 1
1 549 . 4 1 1 A 53 53 SER N N 141 117.771 117.665 0.106 1
1 550 . 4 1 1 A 54 54 GLY H H 142 10.554 8.384 2.170 1
1 551 . 4 1 1 A 54 54 GLY HA2 H 142 3.781 4.053 -0.272 1
1 552 . 4 1 1 A 54 54 GLY HA3 H 142 4.210 4.057 0.153 1
1 553 . 4 1 1 A 54 54 GLY CA C 142 46.222 45.993 0.229 1
1 554 . 4 1 1 A 54 54 GLY N N 142 115.432 106.471 8.961 1
1 555 . 4 1 1 A 55 55 THR H H 143 7.940 7.859 0.081 1
1 556 . 4 1 1 A 55 55 THR HA H 143 5.081 5.559 -0.478 1
1 561 . 4 1 1 A 55 55 THR CA C 143 59.861 60.029 -0.168 1
1 562 . 4 1 1 A 55 55 THR CB C 143 72.835 71.250 1.585 1
1 564 . 4 1 1 A 55 55 THR N N 143 110.471 109.148 1.323 1
1 565 . 4 1 1 A 56 56 VAL H H 144 9.090 9.434 -0.344 1
1 566 . 4 1 1 A 56 56 VAL HA H 144 4.553 4.578 -0.025 1
1 574 . 4 1 1 A 56 56 VAL CA C 144 61.032 61.190 -0.158 1
1 575 . 4 1 1 A 56 56 VAL CB C 144 35.256 34.004 1.252 1
1 578 . 4 1 1 A 56 56 VAL N N 144 119.565 126.334 -6.769 1
1 579 . 4 1 1 A 57 57 ASP H H 145 8.870 8.675 0.195 1
1 580 . 4 1 1 A 57 57 ASP HA H 145 5.088 5.057 0.031 1
1 583 . 4 1 1 A 57 57 ASP CA C 145 53.231 52.236 0.995 1
1 584 . 4 1 1 A 57 57 ASP CB C 145 42.146 41.335 0.811 1
1 585 . 4 1 1 A 57 57 ASP N N 145 126.198 126.095 0.103 1
1 586 . 4 1 1 A 58 58 PHE H H 146 8.223 8.557 -0.334 1
1 587 . 4 1 1 A 58 58 PHE HA H 146 3.538 3.017 0.521 1
1 595 . 4 1 1 A 58 58 PHE CA C 146 61.718 60.285 1.433 1
1 596 . 4 1 1 A 58 58 PHE CB C 146 39.211 37.493 1.718 1
1 600 . 4 1 1 A 59 59 GLU H H 147 8.347 7.343 1.004 1
1 601 . 4 1 1 A 59 59 GLU HA H 147 3.746 4.100 -0.354 1
1 606 . 4 1 1 A 59 59 GLU CA C 147 60.061 58.075 1.986 1
1 607 . 4 1 1 A 59 59 GLU CB C 147 29.101 29.131 -0.030 1
1 609 . 4 1 1 A 59 59 GLU N N 147 118.710 118.005 0.705 1
1 610 . 4 1 1 A 60 60 GLU H H 148 8.380 7.576 0.804 1
1 611 . 4 1 1 A 60 60 GLU HA H 148 4.037 3.998 0.039 1
1 616 . 4 1 1 A 60 60 GLU CA C 148 59.920 59.273 0.647 1
1 617 . 4 1 1 A 60 60 GLU CB C 148 30.080 29.427 0.653 1
1 618 . 4 1 1 A 60 60 GLU N N 148 121.774 120.555 1.219 1
1 619 . 4 1 1 A 61 61 PHE H H 149 8.421 8.078 0.343 1
1 620 . 4 1 1 A 61 61 PHE HA H 149 4.083 4.179 -0.096 1
1 628 . 4 1 1 A 61 61 PHE CA C 149 61.232 60.867 0.365 1
1 629 . 4 1 1 A 61 61 PHE CB C 149 39.863 38.849 1.014 1
1 633 . 4 1 1 A 61 61 PHE N N 149 121.039 120.439 0.600 1
1 634 . 4 1 1 A 62 62 MET H H 150 8.446 8.103 0.343 1
1 635 . 4 1 1 A 62 62 MET HA H 150 3.857 4.027 -0.170 1
1 643 . 4 1 1 A 62 62 MET CA C 150 57.310 58.926 -1.616 1
1 644 . 4 1 1 A 62 62 MET CB C 150 31.221 32.575 -1.354 1
1 647 . 4 1 1 A 62 62 MET N N 150 117.673 116.953 0.720 1
1 648 . 4 1 1 A 63 63 GLY H H 151 7.889 8.787 -0.898 1
1 649 . 4 1 1 A 63 63 GLY HA2 H 151 3.774 3.768 0.006 1
1 650 . 4 1 1 A 63 63 GLY HA3 H 151 3.871 3.774 0.097 1
1 651 . 4 1 1 A 63 63 GLY CA C 151 47.038 47.327 -0.289 1
1 652 . 4 1 1 A 63 63 GLY N N 151 107.497 108.490 -0.993 1
1 653 . 4 1 1 A 64 64 VAL H H 152 7.571 7.695 -0.124 1
1 654 . 4 1 1 A 64 64 VAL HA H 152 3.937 3.669 0.268 1
1 662 . 4 1 1 A 64 64 VAL CA C 152 64.547 65.850 -1.303 1
1 663 . 4 1 1 A 64 64 VAL CB C 152 32.362 31.612 0.750 1
1 666 . 4 1 1 A 64 64 VAL N N 152 119.340 121.647 -2.307 1
1 667 . 4 1 1 A 65 65 MET H H 153 7.773 7.838 -0.065 1
1 668 . 4 1 1 A 65 65 MET HA H 153 4.367 4.124 0.243 1
1 676 . 4 1 1 A 65 65 MET CA C 153 55.874 57.858 -1.984 1
1 677 . 4 1 1 A 65 65 MET CB C 153 32.525 32.720 -0.195 1
1 680 . 4 1 1 A 65 65 MET N N 153 117.775 117.458 0.317 1
1 681 . 4 1 1 A 66 66 THR H H 154 7.789 8.000 -0.211 1
1 682 . 4 1 1 A 66 66 THR HA H 154 4.403 4.395 0.008 1
1 687 . 4 1 1 A 66 66 THR CA C 154 62.204 62.087 0.117 1
1 688 . 4 1 1 A 66 66 THR CB C 154 70.577 69.243 1.334 1
1 690 . 4 1 1 A 66 66 THR N N 154 110.197 107.409 2.788 1
1 691 . 4 1 1 A 67 67 GLY H H 155 7.961 7.458 0.503 1
1 692 . 4 1 1 A 67 67 GLY HA2 H 155 4.017 4.140 -0.123 1
1 693 . 4 1 1 A 67 67 GLY HA3 H 155 4.017 4.148 -0.131 1
1 694 . 4 1 1 A 67 67 GLY CA C 155 45.896 44.668 1.228 1
1 695 . 4 1 1 A 67 67 GLY N N 155 110.658 110.344 0.314 1
1 696 . 4 1 1 A 68 68 GLY H H 156 8.313 8.699 -0.386 1
1 697 . 4 1 1 A 68 68 GLY HA2 H 156 3.990 4.040 -0.050 1
1 698 . 4 1 1 A 68 68 GLY HA3 H 156 3.990 4.045 -0.055 1
1 699 . 4 1 1 A 68 68 GLY CA C 156 45.407 45.141 0.266 1
1 700 . 4 1 1 A 68 68 GLY N N 156 108.792 114.698 -5.906 1
1 701 . 4 1 1 A 69 69 ASP H H 157 8.290 8.046 0.244 1
1 702 . 4 1 1 A 69 69 ASP HA H 157 4.666 4.632 0.034 1
1 705 . 4 1 1 A 69 69 ASP CA C 157 54.588 54.194 0.394 1
1 706 . 4 1 1 A 69 69 ASP CB C 157 41.700 41.309 0.391 1
1 707 . 4 1 1 A 69 69 ASP N N 157 120.766 121.728 -0.962 1
1 3 . 5 1 1 A 2 2 GLN H H 90 8.276 8.680 -0.404 1
1 6 . 5 1 1 A 2 2 GLN N N 90 118.747 127.179 -8.432 1
1 8 . 5 1 1 A 3 3 GLN H H 91 8.199 8.109 0.090 1
1 11 . 5 1 1 A 3 3 GLN N N 91 120.090 126.315 -6.225 1
1 13 . 5 1 1 A 4 4 GLU H H 92 8.454 7.702 0.752 1
1 14 . 5 1 1 A 4 4 GLU N N 92 120.250 115.767 4.483 1
1 15 . 5 1 1 A 5 5 LEU H H 93 8.410 8.744 -0.334 1
1 16 . 5 1 1 A 5 5 LEU HA H 93 4.255 4.407 -0.152 1
1 26 . 5 1 1 A 5 5 LEU CA C 93 58.103 56.118 1.985 1
1 27 . 5 1 1 A 5 5 LEU CB C 93 42.309 41.752 0.557 1
1 31 . 5 1 1 A 5 5 LEU N N 93 121.261 125.533 -4.272 1
1 32 . 5 1 1 A 6 6 ARG H H 94 8.345 8.192 0.153 1
1 33 . 5 1 1 A 6 6 ARG HA H 94 4.061 4.029 0.032 1
1 41 . 5 1 1 A 6 6 ARG CA C 94 60.241 59.321 0.920 1
1 42 . 5 1 1 A 6 6 ARG CB C 94 30.080 30.199 -0.119 1
1 45 . 5 1 1 A 6 6 ARG N N 94 119.790 119.707 0.083 1
1 46 . 5 1 1 A 7 7 GLU H H 95 8.010 8.174 -0.164 1
1 47 . 5 1 1 A 7 7 GLU HA H 95 4.122 4.178 -0.056 1
1 52 . 5 1 1 A 7 7 GLU CA C 95 59.861 59.276 0.585 1
1 53 . 5 1 1 A 7 7 GLU CB C 95 28.812 29.266 -0.454 1
1 54 . 5 1 1 A 7 7 GLU N N 95 118.474 119.175 -0.701 1
1 55 . 5 1 1 A 8 8 ALA H H 96 8.052 8.029 0.023 1
1 56 . 5 1 1 A 8 8 ALA HA H 96 4.199 4.287 -0.088 1
1 60 . 5 1 1 A 8 8 ALA CA C 96 55.174 55.031 0.143 1
1 61 . 5 1 1 A 8 8 ALA CB C 96 18.502 18.198 0.304 1
1 62 . 5 1 1 A 8 8 ALA N N 96 122.505 122.175 0.330 1
1 63 . 5 1 1 A 9 9 PHE H H 97 8.432 8.461 -0.029 1
1 64 . 5 1 1 A 9 9 PHE HA H 97 3.803 3.938 -0.135 1
1 72 . 5 1 1 A 9 9 PHE CA C 97 61.732 61.511 0.221 1
1 73 . 5 1 1 A 9 9 PHE CB C 97 39.537 39.120 0.417 1
1 77 . 5 1 1 A 9 9 PHE N N 97 117.510 119.531 -2.021 1
1 78 . 5 1 1 A 10 10 ARG H H 98 7.840 7.904 -0.064 1
1 79 . 5 1 1 A 10 10 ARG HA H 98 3.955 4.204 -0.249 1
1 86 . 5 1 1 A 10 10 ARG CA C 98 59.109 58.642 0.467 1
1 87 . 5 1 1 A 10 10 ARG CB C 98 30.243 30.213 0.030 1
1 90 . 5 1 1 A 10 10 ARG N N 98 116.256 117.221 -0.965 1
1 91 . 5 1 1 A 11 11 LEU H H 99 7.578 7.787 -0.209 1
1 92 . 5 1 1 A 11 11 LEU HA H 99 3.958 3.915 0.043 1
1 102 . 5 1 1 A 11 11 LEU CA C 99 57.310 57.470 -0.160 1
1 103 . 5 1 1 A 11 11 LEU CB C 99 41.820 41.128 0.692 1
1 107 . 5 1 1 A 11 11 LEU N N 99 118.446 119.469 -1.023 1
1 108 . 5 1 1 A 12 12 TYR H H 100 7.523 7.279 0.244 1
1 109 . 5 1 1 A 12 12 TYR HA H 100 4.369 4.521 -0.152 1
1 116 . 5 1 1 A 12 12 TYR CA C 100 59.861 58.890 0.971 1
1 117 . 5 1 1 A 12 12 TYR CB C 100 39.700 40.120 -0.420 1
1 120 . 5 1 1 A 12 12 TYR N N 100 116.280 115.238 1.042 1
1 121 . 5 1 1 A 13 13 ASP H H 101 7.945 8.264 -0.319 1
1 122 . 5 1 1 A 13 13 ASP HA H 101 4.787 4.596 0.191 1
1 125 . 5 1 1 A 13 13 ASP CA C 101 52.245 52.525 -0.280 1
1 126 . 5 1 1 A 13 13 ASP CB C 101 39.537 39.927 -0.390 1
1 127 . 5 1 1 A 13 13 ASP N N 101 121.756 118.570 3.186 1
1 128 . 5 1 1 A 14 14 LYS H H 102 7.858 8.505 -0.647 1
1 129 . 5 1 1 A 14 14 LYS HA H 102 4.033 4.265 -0.232 1
1 138 . 5 1 1 A 14 14 LYS CA C 102 59.269 58.047 1.222 1
1 139 . 5 1 1 A 14 14 LYS CB C 102 32.688 32.943 -0.255 1
1 143 . 5 1 1 A 14 14 LYS N N 102 123.213 126.085 -2.872 1
1 144 . 5 1 1 A 15 15 GLU H H 103 8.640 7.862 0.778 1
1 145 . 5 1 1 A 15 15 GLU HA H 103 4.218 4.598 -0.380 1
1 150 . 5 1 1 A 15 15 GLU CA C 103 56.981 55.409 1.572 1
1 151 . 5 1 1 A 15 15 GLU CB C 103 29.753 29.801 -0.048 1
1 153 . 5 1 1 A 15 15 GLU N N 103 116.301 114.464 1.837 1
1 154 . 5 1 1 A 16 16 GLY H H 104 7.824 7.757 0.067 1
1 155 . 5 1 1 A 16 16 GLY HA2 H 104 3.724 3.964 -0.240 1
1 156 . 5 1 1 A 16 16 GLY HA3 H 104 3.855 3.969 -0.114 1
1 157 . 5 1 1 A 16 16 GLY CA C 104 47.201 45.225 1.976 1
1 158 . 5 1 1 A 16 16 GLY N N 104 109.341 109.215 0.126 1
1 159 . 5 1 1 A 17 17 ASN H H 105 9.620 8.305 1.315 1
1 160 . 5 1 1 A 17 17 ASN HA H 105 4.562 4.537 0.025 1
1 165 . 5 1 1 A 17 17 ASN CA C 105 54.588 54.473 0.115 1
1 166 . 5 1 1 A 17 17 ASN CB C 105 39.374 36.893 2.481 1
1 167 . 5 1 1 A 17 17 ASN N N 105 120.357 114.150 6.207 1
1 169 . 5 1 1 A 18 18 GLY H H 106 10.621 8.763 1.858 1
1 170 . 5 1 1 A 18 18 GLY HA2 H 106 3.650 4.027 -0.377 1
1 171 . 5 1 1 A 18 18 GLY HA3 H 106 4.265 4.244 0.021 1
1 172 . 5 1 1 A 18 18 GLY CA C 106 45.733 46.492 -0.759 1
1 173 . 5 1 1 A 18 18 GLY N N 106 111.026 105.020 6.006 1
1 174 . 5 1 1 A 19 19 TYR H H 107 7.300 8.037 -0.737 1
1 175 . 5 1 1 A 19 19 TYR HA H 107 5.472 5.109 0.363 1
1 182 . 5 1 1 A 19 19 TYR CA C 107 56.346 56.358 -0.012 1
1 183 . 5 1 1 A 19 19 TYR CB C 107 40.841 41.052 -0.211 1
1 186 . 5 1 1 A 19 19 TYR N N 107 115.597 118.248 -2.651 1
1 187 . 5 1 1 A 20 20 ILE H H 108 8.866 8.760 0.106 1
1 188 . 5 1 1 A 20 20 ILE HA H 108 4.778 4.801 -0.023 1
1 198 . 5 1 1 A 20 20 ILE CA C 108 59.275 59.768 -0.493 1
1 199 . 5 1 1 A 20 20 ILE CB C 108 42.635 39.257 3.378 1
1 203 . 5 1 1 A 20 20 ILE N N 108 113.436 121.173 -7.737 1
1 204 . 5 1 1 A 21 21 SER H H 109 8.620 8.676 -0.056 1
1 205 . 5 1 1 A 21 21 SER HA H 109 5.058 4.737 0.321 1
1 208 . 5 1 1 A 21 21 SER CA C 109 57.756 59.090 -1.334 1
1 209 . 5 1 1 A 21 21 SER CB C 109 63.883 63.565 0.318 1
1 210 . 5 1 1 A 21 21 SER N N 109 117.553 121.490 -3.937 1
1 211 . 5 1 1 A 22 22 THR H H 110 8.354 9.508 -1.154 1
1 212 . 5 1 1 A 22 22 THR HA H 110 3.801 3.950 -0.149 1
1 217 . 5 1 1 A 22 22 THR CA C 110 65.633 65.769 -0.136 1
1 218 . 5 1 1 A 22 22 THR CB C 110 67.909 68.196 -0.287 1
1 220 . 5 1 1 A 22 22 THR N N 110 114.232 118.007 -3.775 1
1 221 . 5 1 1 A 23 23 ASP H H 111 8.177 8.276 -0.099 1
1 222 . 5 1 1 A 23 23 ASP HA H 111 4.392 4.293 0.099 1
1 225 . 5 1 1 A 23 23 ASP CA C 111 57.779 57.678 0.101 1
1 226 . 5 1 1 A 23 23 ASP CB C 111 40.352 42.094 -1.742 1
1 227 . 5 1 1 A 23 23 ASP N N 111 120.992 121.682 -0.690 1
1 228 . 5 1 1 A 24 24 VAL H H 112 7.504 8.035 -0.531 1
1 229 . 5 1 1 A 24 24 VAL HA H 112 3.744 3.442 0.302 1
1 237 . 5 1 1 A 24 24 VAL CA C 112 65.719 66.514 -0.795 1
1 238 . 5 1 1 A 24 24 VAL CB C 112 31.741 31.397 0.344 1
1 241 . 5 1 1 A 24 24 VAL N N 112 122.123 119.520 2.603 1
1 242 . 5 1 1 A 25 25 MET H H 113 7.984 8.148 -0.164 1
1 243 . 5 1 1 A 25 25 MET HA H 113 4.069 4.013 0.056 1
1 251 . 5 1 1 A 25 25 MET CA C 113 58.552 58.336 0.216 1
1 252 . 5 1 1 A 25 25 MET CB C 113 33.504 31.772 1.732 1
1 255 . 5 1 1 A 25 25 MET N N 113 119.521 119.799 -0.278 1
1 256 . 5 1 1 A 26 26 ARG H H 114 8.190 7.810 0.380 1
1 257 . 5 1 1 A 26 26 ARG HA H 114 3.745 4.040 -0.295 1
1 265 . 5 1 1 A 26 26 ARG CA C 114 60.747 59.658 1.089 1
1 266 . 5 1 1 A 26 26 ARG CB C 114 29.398 29.921 -0.523 1
1 269 . 5 1 1 A 26 26 ARG N N 114 117.832 118.850 -1.018 1
1 270 . 5 1 1 A 27 27 GLU H H 115 7.265 7.821 -0.556 1
1 271 . 5 1 1 A 27 27 GLU HA H 115 4.010 4.187 -0.177 1
1 276 . 5 1 1 A 27 27 GLU CA C 115 59.435 58.862 0.573 1
1 277 . 5 1 1 A 27 27 GLU N N 115 117.949 118.804 -0.855 1
1 278 . 5 1 1 A 28 28 ILE H H 116 8.074 7.848 0.226 1
1 279 . 5 1 1 A 28 28 ILE HA H 116 3.622 3.518 0.104 1
1 289 . 5 1 1 A 28 28 ILE CA C 116 65.633 65.720 -0.087 1
1 290 . 5 1 1 A 28 28 ILE CB C 116 38.771 37.922 0.849 1
1 294 . 5 1 1 A 28 28 ILE N N 116 120.582 120.524 0.058 1
1 295 . 5 1 1 A 29 29 LEU H H 117 8.183 8.240 -0.057 1
1 296 . 5 1 1 A 29 29 LEU HA H 117 3.901 4.019 -0.118 1
1 306 . 5 1 1 A 29 29 LEU CA C 117 58.103 57.738 0.365 1
1 307 . 5 1 1 A 29 29 LEU CB C 117 42.286 40.371 1.915 1
1 311 . 5 1 1 A 29 29 LEU N N 117 118.919 117.862 1.057 1
1 312 . 5 1 1 A 30 30 ALA H H 118 7.920 7.757 0.163 1
1 313 . 5 1 1 A 30 30 ALA HA H 118 4.131 4.108 0.023 1
1 317 . 5 1 1 A 30 30 ALA CA C 118 54.588 54.932 -0.344 1
1 318 . 5 1 1 A 30 30 ALA CB C 118 18.992 18.039 0.953 1
1 319 . 5 1 1 A 30 30 ALA N N 118 119.224 122.025 -2.801 1
1 320 . 5 1 1 A 31 31 GLU H H 119 7.553 7.504 0.049 1
1 321 . 5 1 1 A 31 31 GLU HA H 119 4.103 4.163 -0.060 1
1 326 . 5 1 1 A 31 31 GLU CA C 119 58.126 58.436 -0.310 1
1 327 . 5 1 1 A 31 31 GLU CB C 119 30.080 29.817 0.263 1
1 328 . 5 1 1 A 31 31 GLU N N 119 116.043 118.057 -2.014 1
1 329 . 5 1 1 A 32 32 LEU H H 120 7.774 8.212 -0.438 1
1 330 . 5 1 1 A 32 32 LEU HA H 120 4.195 4.132 0.063 1
1 340 . 5 1 1 A 32 32 LEU CA C 120 56.946 57.906 -0.960 1
1 341 . 5 1 1 A 32 32 LEU CB C 120 42.961 42.180 0.781 1
1 345 . 5 1 1 A 32 32 LEU N N 120 119.210 120.523 -1.313 1
1 346 . 5 1 1 A 33 33 ASP H H 121 7.796 8.299 -0.503 1
1 347 . 5 1 1 A 33 33 ASP HA H 121 4.735 4.919 -0.184 1
1 350 . 5 1 1 A 33 33 ASP CA C 121 53.409 53.309 0.100 1
1 351 . 5 1 1 A 33 33 ASP CB C 121 41.168 42.846 -1.678 1
1 352 . 5 1 1 A 33 33 ASP N N 121 117.407 118.987 -1.580 1
1 353 . 5 1 1 A 34 34 GLU H H 122 8.884 9.086 -0.202 1
1 354 . 5 1 1 A 34 34 GLU HA H 122 4.463 4.510 -0.047 1
1 359 . 5 1 1 A 34 34 GLU CA C 122 57.967 56.549 1.418 1
1 360 . 5 1 1 A 34 34 GLU CB C 122 29.753 30.237 -0.484 1
1 362 . 5 1 1 A 34 34 GLU N N 122 123.975 126.214 -2.239 1
1 363 . 5 1 1 A 35 35 THR H H 123 8.608 8.136 0.472 1
1 364 . 5 1 1 A 35 35 THR HA H 123 4.347 4.497 -0.150 1
1 369 . 5 1 1 A 35 35 THR CA C 123 62.804 62.027 0.777 1
1 370 . 5 1 1 A 35 35 THR CB C 123 69.406 70.393 -0.987 1
1 372 . 5 1 1 A 35 35 THR N N 123 111.220 106.783 4.437 1
1 373 . 5 1 1 A 36 36 LEU H H 124 7.104 7.669 -0.565 1
1 374 . 5 1 1 A 36 36 LEU HA H 124 4.461 4.483 -0.022 1
1 384 . 5 1 1 A 36 36 LEU CA C 124 55.174 53.905 1.269 1
1 385 . 5 1 1 A 36 36 LEU CB C 124 42.635 43.354 -0.719 1
1 389 . 5 1 1 A 36 36 LEU N N 124 122.774 122.365 0.409 1
1 390 . 5 1 1 A 37 37 SER H H 125 9.468 8.916 0.552 1
1 391 . 5 1 1 A 37 37 SER HA H 125 4.594 5.034 -0.440 1
1 394 . 5 1 1 A 37 37 SER CA C 125 56.932 56.196 0.736 1
1 395 . 5 1 1 A 37 37 SER CB C 125 66.119 66.620 -0.501 1
1 396 . 5 1 1 A 37 37 SER N N 125 121.762 114.103 7.659 1
1 397 . 5 1 1 A 38 38 SER H H 126 8.970 8.916 0.054 1
1 398 . 5 1 1 A 38 38 SER HA H 126 3.925 4.130 -0.205 1
1 401 . 5 1 1 A 38 38 SER CA C 126 63.004 61.981 1.023 1
1 402 . 5 1 1 A 38 38 SER CB C 126 62.364 62.943 -0.579 1
1 403 . 5 1 1 A 38 38 SER N N 126 116.391 115.527 0.864 1
1 404 . 5 1 1 A 39 39 GLU H H 127 8.468 7.933 0.535 1
1 405 . 5 1 1 A 39 39 GLU HA H 127 4.125 4.023 0.102 1
1 410 . 5 1 1 A 39 39 GLU CA C 127 60.082 59.381 0.701 1
1 411 . 5 1 1 A 39 39 GLU CB C 127 29.427 29.360 0.067 1
1 413 . 5 1 1 A 39 39 GLU N N 127 119.790 122.245 -2.455 1
1 414 . 5 1 1 A 40 40 ASP H H 128 7.981 8.113 -0.132 1
1 415 . 5 1 1 A 40 40 ASP HA H 128 4.414 4.324 0.090 1
1 418 . 5 1 1 A 40 40 ASP CA C 128 57.473 57.246 0.227 1
1 419 . 5 1 1 A 40 40 ASP CB C 128 41.331 40.774 0.557 1
1 420 . 5 1 1 A 40 40 ASP N N 128 122.463 119.979 2.484 1
1 421 . 5 1 1 A 41 41 LEU H H 129 8.289 8.234 0.055 1
1 422 . 5 1 1 A 41 41 LEU HA H 129 4.019 3.934 0.085 1
1 432 . 5 1 1 A 41 41 LEU CA C 129 58.603 58.204 0.399 1
1 433 . 5 1 1 A 41 41 LEU CB C 129 42.146 41.717 0.429 1
1 437 . 5 1 1 A 41 41 LEU N N 129 121.708 119.947 1.761 1
1 438 . 5 1 1 A 42 42 ASP H H 130 8.353 8.783 -0.430 1
1 439 . 5 1 1 A 42 42 ASP HA H 130 4.225 4.253 -0.028 1
1 442 . 5 1 1 A 42 42 ASP CA C 130 57.797 57.908 -0.111 1
1 443 . 5 1 1 A 42 42 ASP CB C 130 40.352 41.820 -1.468 1
1 444 . 5 1 1 A 42 42 ASP N N 130 119.133 118.689 0.444 1
1 445 . 5 1 1 A 43 43 ALA H H 131 7.675 7.835 -0.160 1
1 446 . 5 1 1 A 43 43 ALA HA H 131 4.196 4.089 0.107 1
1 450 . 5 1 1 A 43 43 ALA CA C 131 55.002 55.007 -0.005 1
1 451 . 5 1 1 A 43 43 ALA CB C 131 18.267 17.990 0.277 1
1 452 . 5 1 1 A 43 43 ALA N N 131 121.142 121.720 -0.578 1
1 453 . 5 1 1 A 44 44 MET H H 132 8.039 7.935 0.104 1
1 454 . 5 1 1 A 44 44 MET HA H 132 4.153 4.396 -0.243 1
1 462 . 5 1 1 A 44 44 MET CA C 132 59.435 57.769 1.666 1
1 463 . 5 1 1 A 44 44 MET CB C 132 33.830 32.894 0.936 1
1 466 . 5 1 1 A 44 44 MET N N 132 118.616 116.182 2.434 1
1 467 . 5 1 1 A 45 45 ILE H H 133 8.322 8.750 -0.428 1
1 468 . 5 1 1 A 45 45 ILE HA H 133 3.718 3.688 0.030 1
1 478 . 5 1 1 A 45 45 ILE CA C 133 62.804 65.226 -2.422 1
1 479 . 5 1 1 A 45 45 ILE CB C 133 35.787 36.883 -1.096 1
1 483 . 5 1 1 A 45 45 ILE N N 133 119.464 119.666 -0.202 1
1 484 . 5 1 1 A 46 46 ASP H H 134 7.995 8.091 -0.096 1
1 485 . 5 1 1 A 46 46 ASP HA H 134 4.340 4.478 -0.138 1
1 488 . 5 1 1 A 46 46 ASP CA C 134 57.317 56.316 1.001 1
1 489 . 5 1 1 A 46 46 ASP CB C 134 41.005 40.797 0.208 1
1 490 . 5 1 1 A 47 47 GLU H H 135 7.371 7.734 -0.363 1
1 491 . 5 1 1 A 47 47 GLU HA H 135 4.106 4.415 -0.309 1
1 496 . 5 1 1 A 47 47 GLU CA C 135 58.543 56.945 1.598 1
1 497 . 5 1 1 A 47 47 GLU CB C 135 29.916 30.528 -0.612 1
1 499 . 5 1 1 A 47 47 GLU N N 135 116.443 116.916 -0.473 1
1 500 . 5 1 1 A 48 48 ILE H H 136 8.523 7.912 0.611 1
1 501 . 5 1 1 A 48 48 ILE HA H 136 4.000 4.020 -0.020 1
1 511 . 5 1 1 A 48 48 ILE CA C 136 63.676 62.691 0.985 1
1 512 . 5 1 1 A 48 48 ILE CB C 136 39.357 38.273 1.084 1
1 516 . 5 1 1 A 48 48 ILE N N 136 121.250 120.070 1.180 1
1 517 . 5 1 1 A 49 49 ASP H H 137 7.840 7.228 0.612 1
1 518 . 5 1 1 A 49 49 ASP HA H 137 5.106 4.498 0.608 1
1 521 . 5 1 1 A 49 49 ASP CA C 137 52.581 55.235 -2.654 1
1 522 . 5 1 1 A 49 49 ASP CB C 137 40.189 41.217 -1.028 1
1 523 . 5 1 1 A 49 49 ASP N N 137 117.820 121.813 -3.993 1
1 524 . 5 1 1 A 50 50 ALA H H 138 7.846 8.517 -0.671 1
1 525 . 5 1 1 A 50 50 ALA HA H 138 4.181 4.369 -0.188 1
1 529 . 5 1 1 A 50 50 ALA CA C 138 55.346 54.126 1.220 1
1 530 . 5 1 1 A 50 50 ALA CB C 138 19.318 19.649 -0.331 1
1 531 . 5 1 1 A 50 50 ALA N N 138 125.638 127.608 -1.970 1
1 532 . 5 1 1 A 51 51 ASP H H 139 8.485 8.261 0.224 1
1 533 . 5 1 1 A 51 51 ASP HA H 139 4.653 4.583 0.070 1
1 536 . 5 1 1 A 51 51 ASP CB C 139 40.841 40.493 0.348 1
1 537 . 5 1 1 A 51 51 ASP N N 139 113.885 118.063 -4.178 1
1 538 . 5 1 1 A 52 52 GLY H H 140 7.900 8.184 -0.284 1
1 539 . 5 1 1 A 52 52 GLY HA2 H 140 3.845 4.084 -0.239 1
1 540 . 5 1 1 A 52 52 GLY HA3 H 140 3.845 4.104 -0.259 1
1 541 . 5 1 1 A 52 52 GLY CA C 140 47.527 45.068 2.459 1
1 542 . 5 1 1 A 52 52 GLY N N 140 113.060 108.323 4.737 1
1 543 . 5 1 1 A 53 53 SER H H 141 9.150 8.286 0.864 1
1 544 . 5 1 1 A 53 53 SER HA H 141 4.227 4.513 -0.286 1
1 547 . 5 1 1 A 53 53 SER CA C 141 60.461 58.138 2.323 1
1 548 . 5 1 1 A 53 53 SER CB C 141 64.645 63.138 1.507 1
1 549 . 5 1 1 A 53 53 SER N N 141 117.771 117.981 -0.210 1
1 550 . 5 1 1 A 54 54 GLY H H 142 10.554 8.353 2.201 1
1 551 . 5 1 1 A 54 54 GLY HA2 H 142 3.781 3.979 -0.198 1
1 552 . 5 1 1 A 54 54 GLY HA3 H 142 4.210 3.983 0.227 1
1 553 . 5 1 1 A 54 54 GLY CA C 142 46.222 46.843 -0.621 1
1 554 . 5 1 1 A 54 54 GLY N N 142 115.432 110.062 5.370 1
1 555 . 5 1 1 A 55 55 THR H H 143 7.940 7.694 0.246 1
1 556 . 5 1 1 A 55 55 THR HA H 143 5.081 5.236 -0.155 1
1 561 . 5 1 1 A 55 55 THR CA C 143 59.861 59.364 0.497 1
1 562 . 5 1 1 A 55 55 THR CB C 143 72.835 72.103 0.732 1
1 564 . 5 1 1 A 55 55 THR N N 143 110.471 108.793 1.678 1
1 565 . 5 1 1 A 56 56 VAL H H 144 9.090 9.527 -0.437 1
1 566 . 5 1 1 A 56 56 VAL HA H 144 4.553 4.758 -0.205 1
1 574 . 5 1 1 A 56 56 VAL CA C 144 61.032 61.217 -0.185 1
1 575 . 5 1 1 A 56 56 VAL CB C 144 35.256 34.858 0.398 1
1 578 . 5 1 1 A 56 56 VAL N N 144 119.565 122.189 -2.624 1
1 579 . 5 1 1 A 57 57 ASP H H 145 8.870 8.640 0.230 1
1 580 . 5 1 1 A 57 57 ASP HA H 145 5.088 4.938 0.150 1
1 583 . 5 1 1 A 57 57 ASP CA C 145 53.231 52.184 1.047 1
1 584 . 5 1 1 A 57 57 ASP CB C 145 42.146 41.132 1.014 1
1 585 . 5 1 1 A 57 57 ASP N N 145 126.198 128.208 -2.010 1
1 586 . 5 1 1 A 58 58 PHE H H 146 8.223 8.616 -0.393 1
1 587 . 5 1 1 A 58 58 PHE HA H 146 3.538 3.893 -0.355 1
1 595 . 5 1 1 A 58 58 PHE CA C 146 61.718 60.811 0.907 1
1 596 . 5 1 1 A 58 58 PHE CB C 146 39.211 37.973 1.238 1
1 600 . 5 1 1 A 59 59 GLU H H 147 8.347 8.161 0.186 1
1 601 . 5 1 1 A 59 59 GLU HA H 147 3.746 3.942 -0.196 1
1 606 . 5 1 1 A 59 59 GLU CA C 147 60.061 59.318 0.743 1
1 607 . 5 1 1 A 59 59 GLU CB C 147 29.101 28.586 0.515 1
1 609 . 5 1 1 A 59 59 GLU N N 147 118.710 120.483 -1.773 1
1 610 . 5 1 1 A 60 60 GLU H H 148 8.380 7.992 0.388 1
1 611 . 5 1 1 A 60 60 GLU HA H 148 4.037 4.079 -0.042 1
1 616 . 5 1 1 A 60 60 GLU CA C 148 59.920 59.216 0.704 1
1 617 . 5 1 1 A 60 60 GLU CB C 148 30.080 29.241 0.839 1
1 618 . 5 1 1 A 60 60 GLU N N 148 121.774 119.270 2.504 1
1 619 . 5 1 1 A 61 61 PHE H H 149 8.421 8.426 -0.005 1
1 620 . 5 1 1 A 61 61 PHE HA H 149 4.083 4.142 -0.059 1
1 628 . 5 1 1 A 61 61 PHE CA C 149 61.232 61.047 0.185 1
1 629 . 5 1 1 A 61 61 PHE CB C 149 39.863 39.112 0.751 1
1 633 . 5 1 1 A 61 61 PHE N N 149 121.039 121.065 -0.026 1
1 634 . 5 1 1 A 62 62 MET H H 150 8.446 8.882 -0.436 1
1 635 . 5 1 1 A 62 62 MET HA H 150 3.857 4.250 -0.393 1
1 643 . 5 1 1 A 62 62 MET CA C 150 57.310 57.573 -0.263 1
1 644 . 5 1 1 A 62 62 MET CB C 150 31.221 31.749 -0.528 1
1 647 . 5 1 1 A 62 62 MET N N 150 117.673 116.268 1.405 1
1 648 . 5 1 1 A 63 63 GLY H H 151 7.889 7.772 0.117 1
1 649 . 5 1 1 A 63 63 GLY HA2 H 151 3.774 3.705 0.069 1
1 650 . 5 1 1 A 63 63 GLY HA3 H 151 3.871 3.711 0.160 1
1 651 . 5 1 1 A 63 63 GLY CA C 151 47.038 47.016 0.022 1
1 652 . 5 1 1 A 63 63 GLY N N 151 107.497 108.509 -1.012 1
1 653 . 5 1 1 A 64 64 VAL H H 152 7.571 8.354 -0.783 1
1 654 . 5 1 1 A 64 64 VAL HA H 152 3.937 3.947 -0.010 1
1 662 . 5 1 1 A 64 64 VAL CA C 152 64.547 64.102 0.445 1
1 663 . 5 1 1 A 64 64 VAL CB C 152 32.362 31.972 0.390 1
1 666 . 5 1 1 A 64 64 VAL N N 152 119.340 121.486 -2.146 1
1 667 . 5 1 1 A 65 65 MET H H 153 7.773 7.549 0.224 1
1 668 . 5 1 1 A 65 65 MET HA H 153 4.367 4.596 -0.229 1
1 676 . 5 1 1 A 65 65 MET CA C 153 55.874 54.350 1.524 1
1 677 . 5 1 1 A 65 65 MET CB C 153 32.525 34.247 -1.722 1
1 680 . 5 1 1 A 65 65 MET N N 153 117.775 118.861 -1.086 1
1 681 . 5 1 1 A 66 66 THR H H 154 7.789 8.740 -0.951 1
1 682 . 5 1 1 A 66 66 THR HA H 154 4.403 4.005 0.398 1
1 687 . 5 1 1 A 66 66 THR CA C 154 62.204 62.821 -0.617 1
1 688 . 5 1 1 A 66 66 THR CB C 154 70.577 66.715 3.862 1
1 690 . 5 1 1 A 66 66 THR N N 154 110.197 116.618 -6.421 1
1 691 . 5 1 1 A 67 67 GLY H H 155 7.961 8.344 -0.383 1
1 692 . 5 1 1 A 67 67 GLY HA2 H 155 4.017 4.089 -0.072 1
1 693 . 5 1 1 A 67 67 GLY HA3 H 155 4.017 4.091 -0.074 1
1 694 . 5 1 1 A 67 67 GLY CA C 155 45.896 46.266 -0.370 1
1 695 . 5 1 1 A 67 67 GLY N N 155 110.658 109.771 0.887 1
1 696 . 5 1 1 A 68 68 GLY H H 156 8.313 8.118 0.195 1
1 697 . 5 1 1 A 68 68 GLY HA2 H 156 3.990 4.067 -0.077 1
1 698 . 5 1 1 A 68 68 GLY HA3 H 156 3.990 4.068 -0.078 1
1 699 . 5 1 1 A 68 68 GLY CA C 156 45.407 46.302 -0.895 1
1 700 . 5 1 1 A 68 68 GLY N N 156 108.792 111.223 -2.431 1
1 701 . 5 1 1 A 69 69 ASP H H 157 8.290 8.048 0.242 1
1 702 . 5 1 1 A 69 69 ASP HA H 157 4.666 5.006 -0.340 1
1 705 . 5 1 1 A 69 69 ASP CA C 157 54.588 52.574 2.014 1
1 706 . 5 1 1 A 69 69 ASP CB C 157 41.700 43.614 -1.914 1
1 707 . 5 1 1 A 69 69 ASP N N 157 120.766 120.700 0.066 1
1 3 . 6 1 1 A 2 2 GLN H H 90 8.276 7.774 0.502 1
1 6 . 6 1 1 A 2 2 GLN N N 90 118.747 118.870 -0.123 1
1 8 . 6 1 1 A 3 3 GLN H H 91 8.199 8.876 -0.677 1
1 11 . 6 1 1 A 3 3 GLN N N 91 120.090 127.740 -7.650 1
1 13 . 6 1 1 A 4 4 GLU H H 92 8.454 8.262 0.192 1
1 14 . 6 1 1 A 4 4 GLU N N 92 120.250 118.589 1.661 1
1 15 . 6 1 1 A 5 5 LEU H H 93 8.410 8.665 -0.255 1
1 16 . 6 1 1 A 5 5 LEU HA H 93 4.255 4.533 -0.278 1
1 26 . 6 1 1 A 5 5 LEU CA C 93 58.103 55.298 2.805 1
1 27 . 6 1 1 A 5 5 LEU CB C 93 42.309 41.581 0.728 1
1 31 . 6 1 1 A 5 5 LEU N N 93 121.261 123.675 -2.414 1
1 32 . 6 1 1 A 6 6 ARG H H 94 8.345 7.915 0.430 1
1 33 . 6 1 1 A 6 6 ARG HA H 94 4.061 4.016 0.045 1
1 41 . 6 1 1 A 6 6 ARG CA C 94 60.241 59.666 0.575 1
1 42 . 6 1 1 A 6 6 ARG CB C 94 30.080 29.962 0.118 1
1 45 . 6 1 1 A 6 6 ARG N N 94 119.790 120.780 -0.990 1
1 46 . 6 1 1 A 7 7 GLU H H 95 8.010 8.473 -0.463 1
1 47 . 6 1 1 A 7 7 GLU HA H 95 4.122 4.027 0.095 1
1 52 . 6 1 1 A 7 7 GLU CA C 95 59.861 59.366 0.495 1
1 53 . 6 1 1 A 7 7 GLU CB C 95 28.812 29.139 -0.327 1
1 54 . 6 1 1 A 7 7 GLU N N 95 118.474 119.153 -0.679 1
1 55 . 6 1 1 A 8 8 ALA H H 96 8.052 7.906 0.146 1
1 56 . 6 1 1 A 8 8 ALA HA H 96 4.199 4.120 0.079 1
1 60 . 6 1 1 A 8 8 ALA CA C 96 55.174 54.949 0.225 1
1 61 . 6 1 1 A 8 8 ALA CB C 96 18.502 18.611 -0.109 1
1 62 . 6 1 1 A 8 8 ALA N N 96 122.505 122.858 -0.353 1
1 63 . 6 1 1 A 9 9 PHE H H 97 8.432 7.355 1.077 1
1 64 . 6 1 1 A 9 9 PHE HA H 97 3.803 3.915 -0.112 1
1 72 . 6 1 1 A 9 9 PHE CA C 97 61.732 61.139 0.593 1
1 73 . 6 1 1 A 9 9 PHE CB C 97 39.537 38.745 0.792 1
1 77 . 6 1 1 A 9 9 PHE N N 97 117.510 119.251 -1.741 1
1 78 . 6 1 1 A 10 10 ARG H H 98 7.840 8.279 -0.439 1
1 79 . 6 1 1 A 10 10 ARG HA H 98 3.955 4.048 -0.093 1
1 86 . 6 1 1 A 10 10 ARG CA C 98 59.109 58.556 0.553 1
1 87 . 6 1 1 A 10 10 ARG CB C 98 30.243 30.307 -0.064 1
1 90 . 6 1 1 A 10 10 ARG N N 98 116.256 118.019 -1.763 1
1 91 . 6 1 1 A 11 11 LEU H H 99 7.578 7.375 0.203 1
1 92 . 6 1 1 A 11 11 LEU HA H 99 3.958 3.818 0.140 1
1 102 . 6 1 1 A 11 11 LEU CA C 99 57.310 57.596 -0.286 1
1 103 . 6 1 1 A 11 11 LEU CB C 99 41.820 41.288 0.532 1
1 107 . 6 1 1 A 11 11 LEU N N 99 118.446 119.512 -1.066 1
1 108 . 6 1 1 A 12 12 TYR H H 100 7.523 7.197 0.326 1
1 109 . 6 1 1 A 12 12 TYR HA H 100 4.369 4.279 0.090 1
1 116 . 6 1 1 A 12 12 TYR CA C 100 59.861 60.727 -0.866 1
1 117 . 6 1 1 A 12 12 TYR CB C 100 39.700 38.940 0.760 1
1 120 . 6 1 1 A 12 12 TYR N N 100 116.280 116.450 -0.170 1
1 121 . 6 1 1 A 13 13 ASP H H 101 7.945 8.053 -0.108 1
1 122 . 6 1 1 A 13 13 ASP HA H 101 4.787 4.047 0.740 1
1 125 . 6 1 1 A 13 13 ASP CA C 101 52.245 57.425 -5.180 1
1 126 . 6 1 1 A 13 13 ASP CB C 101 39.537 41.896 -2.359 1
1 127 . 6 1 1 A 13 13 ASP N N 101 121.756 121.593 0.163 1
1 128 . 6 1 1 A 14 14 LYS H H 102 7.858 8.021 -0.163 1
1 129 . 6 1 1 A 14 14 LYS HA H 102 4.033 4.100 -0.067 1
1 138 . 6 1 1 A 14 14 LYS CA C 102 59.269 59.255 0.014 1
1 139 . 6 1 1 A 14 14 LYS CB C 102 32.688 31.771 0.917 1
1 143 . 6 1 1 A 14 14 LYS N N 102 123.213 117.073 6.140 1
1 144 . 6 1 1 A 15 15 GLU H H 103 8.640 8.153 0.487 1
1 145 . 6 1 1 A 15 15 GLU HA H 103 4.218 4.517 -0.299 1
1 150 . 6 1 1 A 15 15 GLU CA C 103 56.981 55.682 1.299 1
1 151 . 6 1 1 A 15 15 GLU CB C 103 29.753 30.102 -0.349 1
1 153 . 6 1 1 A 15 15 GLU N N 103 116.301 117.920 -1.619 1
1 154 . 6 1 1 A 16 16 GLY H H 104 7.824 7.932 -0.108 1
1 155 . 6 1 1 A 16 16 GLY HA2 H 104 3.724 4.035 -0.311 1
1 156 . 6 1 1 A 16 16 GLY HA3 H 104 3.855 4.063 -0.208 1
1 157 . 6 1 1 A 16 16 GLY CA C 104 47.201 45.304 1.897 1
1 158 . 6 1 1 A 16 16 GLY N N 104 109.341 108.702 0.639 1
1 159 . 6 1 1 A 17 17 ASN H H 105 9.620 8.260 1.360 1
1 160 . 6 1 1 A 17 17 ASN HA H 105 4.562 4.344 0.218 1
1 165 . 6 1 1 A 17 17 ASN CA C 105 54.588 54.290 0.298 1
1 166 . 6 1 1 A 17 17 ASN CB C 105 39.374 36.718 2.656 1
1 167 . 6 1 1 A 17 17 ASN N N 105 120.357 114.905 5.452 1
1 169 . 6 1 1 A 18 18 GLY H H 106 10.621 8.388 2.233 1
1 170 . 6 1 1 A 18 18 GLY HA2 H 106 3.650 3.529 0.121 1
1 171 . 6 1 1 A 18 18 GLY HA3 H 106 4.265 3.675 0.590 1
1 172 . 6 1 1 A 18 18 GLY CA C 106 45.733 45.523 0.210 1
1 173 . 6 1 1 A 18 18 GLY N N 106 111.026 104.802 6.224 1
1 174 . 6 1 1 A 19 19 TYR H H 107 7.300 7.675 -0.375 1
1 175 . 6 1 1 A 19 19 TYR HA H 107 5.472 4.870 0.602 1
1 182 . 6 1 1 A 19 19 TYR CA C 107 56.346 57.424 -1.078 1
1 183 . 6 1 1 A 19 19 TYR CB C 107 40.841 36.872 3.969 1
1 186 . 6 1 1 A 19 19 TYR N N 107 115.597 119.889 -4.292 1
1 187 . 6 1 1 A 20 20 ILE H H 108 8.866 7.906 0.960 1
1 188 . 6 1 1 A 20 20 ILE HA H 108 4.778 4.165 0.613 1
1 198 . 6 1 1 A 20 20 ILE CA C 108 59.275 60.792 -1.517 1
1 199 . 6 1 1 A 20 20 ILE CB C 108 42.635 38.660 3.975 1
1 203 . 6 1 1 A 20 20 ILE N N 108 113.436 122.572 -9.136 1
1 204 . 6 1 1 A 21 21 SER H H 109 8.620 8.600 0.020 1
1 205 . 6 1 1 A 21 21 SER HA H 109 5.058 4.444 0.614 1
1 208 . 6 1 1 A 21 21 SER CA C 109 57.756 59.604 -1.848 1
1 209 . 6 1 1 A 21 21 SER CB C 109 63.883 63.496 0.387 1
1 210 . 6 1 1 A 21 21 SER N N 109 117.553 121.424 -3.871 1
1 211 . 6 1 1 A 22 22 THR H H 110 8.354 8.869 -0.515 1
1 212 . 6 1 1 A 22 22 THR HA H 110 3.801 4.077 -0.276 1
1 217 . 6 1 1 A 22 22 THR CA C 110 65.633 64.867 0.766 1
1 218 . 6 1 1 A 22 22 THR CB C 110 67.909 68.416 -0.507 1
1 220 . 6 1 1 A 22 22 THR N N 110 114.232 118.055 -3.823 1
1 221 . 6 1 1 A 23 23 ASP H H 111 8.177 8.119 0.058 1
1 222 . 6 1 1 A 23 23 ASP HA H 111 4.392 4.331 0.061 1
1 225 . 6 1 1 A 23 23 ASP CA C 111 57.779 57.403 0.376 1
1 226 . 6 1 1 A 23 23 ASP CB C 111 40.352 40.543 -0.191 1
1 227 . 6 1 1 A 23 23 ASP N N 111 120.992 122.745 -1.753 1
1 228 . 6 1 1 A 24 24 VAL H H 112 7.504 7.872 -0.368 1
1 229 . 6 1 1 A 24 24 VAL HA H 112 3.744 3.813 -0.069 1
1 237 . 6 1 1 A 24 24 VAL CA C 112 65.719 66.246 -0.527 1
1 238 . 6 1 1 A 24 24 VAL CB C 112 31.741 31.305 0.436 1
1 241 . 6 1 1 A 24 24 VAL N N 112 122.123 120.339 1.784 1
1 242 . 6 1 1 A 25 25 MET H H 113 7.984 8.172 -0.188 1
1 243 . 6 1 1 A 25 25 MET HA H 113 4.069 4.179 -0.110 1
1 251 . 6 1 1 A 25 25 MET CA C 113 58.552 58.302 0.250 1
1 252 . 6 1 1 A 25 25 MET CB C 113 33.504 31.915 1.589 1
1 255 . 6 1 1 A 25 25 MET N N 113 119.521 120.114 -0.593 1
1 256 . 6 1 1 A 26 26 ARG H H 114 8.190 7.698 0.492 1
1 257 . 6 1 1 A 26 26 ARG HA H 114 3.745 4.013 -0.268 1
1 265 . 6 1 1 A 26 26 ARG CA C 114 60.747 59.608 1.139 1
1 266 . 6 1 1 A 26 26 ARG CB C 114 29.398 29.877 -0.479 1
1 269 . 6 1 1 A 26 26 ARG N N 114 117.832 118.884 -1.052 1
1 270 . 6 1 1 A 27 27 GLU H H 115 7.265 7.680 -0.415 1
1 271 . 6 1 1 A 27 27 GLU HA H 115 4.010 4.101 -0.091 1
1 276 . 6 1 1 A 27 27 GLU CA C 115 59.435 59.156 0.279 1
1 277 . 6 1 1 A 27 27 GLU N N 115 117.949 119.157 -1.208 1
1 278 . 6 1 1 A 28 28 ILE H H 116 8.074 7.804 0.270 1
1 279 . 6 1 1 A 28 28 ILE HA H 116 3.622 3.772 -0.150 1
1 289 . 6 1 1 A 28 28 ILE CA C 116 65.633 64.701 0.932 1
1 290 . 6 1 1 A 28 28 ILE CB C 116 38.771 37.800 0.971 1
1 294 . 6 1 1 A 28 28 ILE N N 116 120.582 120.990 -0.408 1
1 295 . 6 1 1 A 29 29 LEU H H 117 8.183 8.447 -0.264 1
1 296 . 6 1 1 A 29 29 LEU HA H 117 3.901 4.015 -0.114 1
1 306 . 6 1 1 A 29 29 LEU CA C 117 58.103 57.894 0.209 1
1 307 . 6 1 1 A 29 29 LEU CB C 117 42.286 40.707 1.579 1
1 311 . 6 1 1 A 29 29 LEU N N 117 118.919 119.931 -1.012 1
1 312 . 6 1 1 A 30 30 ALA H H 118 7.920 7.974 -0.054 1
1 313 . 6 1 1 A 30 30 ALA HA H 118 4.131 4.118 0.013 1
1 317 . 6 1 1 A 30 30 ALA CA C 118 54.588 54.682 -0.094 1
1 318 . 6 1 1 A 30 30 ALA CB C 118 18.992 18.151 0.841 1
1 319 . 6 1 1 A 30 30 ALA N N 118 119.224 121.707 -2.483 1
1 320 . 6 1 1 A 31 31 GLU H H 119 7.553 7.534 0.019 1
1 321 . 6 1 1 A 31 31 GLU HA H 119 4.103 4.139 -0.036 1
1 326 . 6 1 1 A 31 31 GLU CA C 119 58.126 58.497 -0.371 1
1 327 . 6 1 1 A 31 31 GLU CB C 119 30.080 29.497 0.583 1
1 328 . 6 1 1 A 31 31 GLU N N 119 116.043 118.041 -1.998 1
1 329 . 6 1 1 A 32 32 LEU H H 120 7.774 7.676 0.098 1
1 330 . 6 1 1 A 32 32 LEU HA H 120 4.195 4.101 0.094 1
1 340 . 6 1 1 A 32 32 LEU CA C 120 56.946 57.947 -1.001 1
1 341 . 6 1 1 A 32 32 LEU CB C 120 42.961 41.999 0.962 1
1 345 . 6 1 1 A 32 32 LEU N N 120 119.210 120.531 -1.321 1
1 346 . 6 1 1 A 33 33 ASP H H 121 7.796 8.211 -0.415 1
1 347 . 6 1 1 A 33 33 ASP HA H 121 4.735 5.056 -0.321 1
1 350 . 6 1 1 A 33 33 ASP CA C 121 53.409 53.304 0.105 1
1 351 . 6 1 1 A 33 33 ASP CB C 121 41.168 43.212 -2.044 1
1 352 . 6 1 1 A 33 33 ASP N N 121 117.407 118.935 -1.528 1
1 353 . 6 1 1 A 34 34 GLU H H 122 8.884 8.478 0.406 1
1 354 . 6 1 1 A 34 34 GLU HA H 122 4.463 4.629 -0.166 1
1 359 . 6 1 1 A 34 34 GLU CA C 122 57.967 55.763 2.204 1
1 360 . 6 1 1 A 34 34 GLU CB C 122 29.753 29.596 0.157 1
1 362 . 6 1 1 A 34 34 GLU N N 122 123.975 122.793 1.182 1
1 363 . 6 1 1 A 35 35 THR H H 123 8.608 8.134 0.474 1
1 364 . 6 1 1 A 35 35 THR HA H 123 4.347 4.535 -0.188 1
1 369 . 6 1 1 A 35 35 THR CA C 123 62.804 61.680 1.124 1
1 370 . 6 1 1 A 35 35 THR CB C 123 69.406 70.634 -1.228 1
1 372 . 6 1 1 A 35 35 THR N N 123 111.220 109.422 1.798 1
1 373 . 6 1 1 A 36 36 LEU H H 124 7.104 7.372 -0.268 1
1 374 . 6 1 1 A 36 36 LEU HA H 124 4.461 4.469 -0.008 1
1 384 . 6 1 1 A 36 36 LEU CA C 124 55.174 53.903 1.271 1
1 385 . 6 1 1 A 36 36 LEU CB C 124 42.635 43.430 -0.795 1
1 389 . 6 1 1 A 36 36 LEU N N 124 122.774 122.661 0.113 1
1 390 . 6 1 1 A 37 37 SER H H 125 9.468 9.340 0.128 1
1 391 . 6 1 1 A 37 37 SER HA H 125 4.594 4.664 -0.070 1
1 394 . 6 1 1 A 37 37 SER CA C 125 56.932 57.114 -0.182 1
1 395 . 6 1 1 A 37 37 SER CB C 125 66.119 65.917 0.202 1
1 396 . 6 1 1 A 37 37 SER N N 125 121.762 118.151 3.611 1
1 397 . 6 1 1 A 38 38 SER H H 126 8.970 9.042 -0.072 1
1 398 . 6 1 1 A 38 38 SER HA H 126 3.925 4.102 -0.177 1
1 401 . 6 1 1 A 38 38 SER CA C 126 63.004 61.315 1.689 1
1 402 . 6 1 1 A 38 38 SER CB C 126 62.364 63.060 -0.696 1
1 403 . 6 1 1 A 38 38 SER N N 126 116.391 118.351 -1.960 1
1 404 . 6 1 1 A 39 39 GLU H H 127 8.468 8.436 0.032 1
1 405 . 6 1 1 A 39 39 GLU HA H 127 4.125 4.019 0.106 1
1 410 . 6 1 1 A 39 39 GLU CA C 127 60.082 59.620 0.462 1
1 411 . 6 1 1 A 39 39 GLU CB C 127 29.427 29.033 0.394 1
1 413 . 6 1 1 A 39 39 GLU N N 127 119.790 121.285 -1.495 1
1 414 . 6 1 1 A 40 40 ASP H H 128 7.981 8.098 -0.117 1
1 415 . 6 1 1 A 40 40 ASP HA H 128 4.414 4.434 -0.020 1
1 418 . 6 1 1 A 40 40 ASP CA C 128 57.473 57.310 0.163 1
1 419 . 6 1 1 A 40 40 ASP CB C 128 41.331 40.522 0.809 1
1 420 . 6 1 1 A 40 40 ASP N N 128 122.463 120.518 1.945 1
1 421 . 6 1 1 A 41 41 LEU H H 129 8.289 8.220 0.069 1
1 422 . 6 1 1 A 41 41 LEU HA H 129 4.019 3.956 0.063 1
1 432 . 6 1 1 A 41 41 LEU CA C 129 58.603 57.973 0.630 1
1 433 . 6 1 1 A 41 41 LEU CB C 129 42.146 41.543 0.603 1
1 437 . 6 1 1 A 41 41 LEU N N 129 121.708 120.675 1.033 1
1 438 . 6 1 1 A 42 42 ASP H H 130 8.353 8.191 0.162 1
1 439 . 6 1 1 A 42 42 ASP HA H 130 4.225 4.312 -0.087 1
1 442 . 6 1 1 A 42 42 ASP CA C 130 57.797 57.536 0.261 1
1 443 . 6 1 1 A 42 42 ASP CB C 130 40.352 41.151 -0.799 1
1 444 . 6 1 1 A 42 42 ASP N N 130 119.133 120.126 -0.993 1
1 445 . 6 1 1 A 43 43 ALA H H 131 7.675 7.963 -0.288 1
1 446 . 6 1 1 A 43 43 ALA HA H 131 4.196 4.056 0.140 1
1 450 . 6 1 1 A 43 43 ALA CA C 131 55.002 55.227 -0.225 1
1 451 . 6 1 1 A 43 43 ALA CB C 131 18.267 18.040 0.227 1
1 452 . 6 1 1 A 43 43 ALA N N 131 121.142 121.398 -0.256 1
1 453 . 6 1 1 A 44 44 MET H H 132 8.039 8.077 -0.038 1
1 454 . 6 1 1 A 44 44 MET HA H 132 4.153 4.239 -0.086 1
1 462 . 6 1 1 A 44 44 MET CA C 132 59.435 57.873 1.562 1
1 463 . 6 1 1 A 44 44 MET CB C 132 33.830 33.050 0.780 1
1 466 . 6 1 1 A 44 44 MET N N 132 118.616 116.343 2.273 1
1 467 . 6 1 1 A 45 45 ILE H H 133 8.322 7.880 0.442 1
1 468 . 6 1 1 A 45 45 ILE HA H 133 3.718 4.287 -0.569 1
1 478 . 6 1 1 A 45 45 ILE CA C 133 62.804 60.855 1.949 1
1 479 . 6 1 1 A 45 45 ILE CB C 133 35.787 35.460 0.327 1
1 483 . 6 1 1 A 45 45 ILE N N 133 119.464 118.188 1.276 1
1 484 . 6 1 1 A 46 46 ASP H H 134 7.995 8.738 -0.743 1
1 485 . 6 1 1 A 46 46 ASP HA H 134 4.340 4.921 -0.581 1
1 488 . 6 1 1 A 46 46 ASP CA C 134 57.317 55.551 1.766 1
1 489 . 6 1 1 A 46 46 ASP CB C 134 41.005 43.613 -2.608 1
1 490 . 6 1 1 A 47 47 GLU H H 135 7.371 7.513 -0.142 1
1 491 . 6 1 1 A 47 47 GLU HA H 135 4.106 4.487 -0.381 1
1 496 . 6 1 1 A 47 47 GLU CA C 135 58.543 55.630 2.913 1
1 497 . 6 1 1 A 47 47 GLU CB C 135 29.916 30.020 -0.104 1
1 499 . 6 1 1 A 47 47 GLU N N 135 116.443 118.522 -2.079 1
1 500 . 6 1 1 A 48 48 ILE H H 136 8.523 7.670 0.853 1
1 501 . 6 1 1 A 48 48 ILE HA H 136 4.000 4.144 -0.144 1
1 511 . 6 1 1 A 48 48 ILE CA C 136 63.676 62.565 1.111 1
1 512 . 6 1 1 A 48 48 ILE CB C 136 39.357 39.296 0.061 1
1 516 . 6 1 1 A 48 48 ILE N N 136 121.250 120.204 1.046 1
1 517 . 6 1 1 A 49 49 ASP H H 137 7.840 7.887 -0.047 1
1 518 . 6 1 1 A 49 49 ASP HA H 137 5.106 4.695 0.411 1
1 521 . 6 1 1 A 49 49 ASP CA C 137 52.581 53.308 -0.727 1
1 522 . 6 1 1 A 49 49 ASP CB C 137 40.189 42.245 -2.056 1
1 523 . 6 1 1 A 49 49 ASP N N 137 117.820 120.625 -2.805 1
1 524 . 6 1 1 A 50 50 ALA H H 138 7.846 8.435 -0.589 1
1 525 . 6 1 1 A 50 50 ALA HA H 138 4.181 4.514 -0.333 1
1 529 . 6 1 1 A 50 50 ALA CA C 138 55.346 51.279 4.067 1
1 530 . 6 1 1 A 50 50 ALA CB C 138 19.318 20.258 -0.940 1
1 531 . 6 1 1 A 50 50 ALA N N 138 125.638 122.907 2.731 1
1 532 . 6 1 1 A 51 51 ASP H H 139 8.485 8.288 0.197 1
1 533 . 6 1 1 A 51 51 ASP HA H 139 4.653 4.396 0.257 1
1 536 . 6 1 1 A 51 51 ASP CB C 139 40.841 39.565 1.276 1
1 537 . 6 1 1 A 51 51 ASP N N 139 113.885 115.175 -1.290 1
1 538 . 6 1 1 A 52 52 GLY H H 140 7.900 8.527 -0.627 1
1 539 . 6 1 1 A 52 52 GLY HA2 H 140 3.845 3.746 0.099 1
1 540 . 6 1 1 A 52 52 GLY HA3 H 140 3.845 3.876 -0.031 1
1 541 . 6 1 1 A 52 52 GLY CA C 140 47.527 45.214 2.313 1
1 542 . 6 1 1 A 52 52 GLY N N 140 113.060 110.631 2.429 1
1 543 . 6 1 1 A 53 53 SER H H 141 9.150 7.857 1.293 1
1 544 . 6 1 1 A 53 53 SER HA H 141 4.227 4.707 -0.480 1
1 547 . 6 1 1 A 53 53 SER CA C 141 60.461 57.303 3.158 1
1 548 . 6 1 1 A 53 53 SER CB C 141 64.645 62.585 2.060 1
1 549 . 6 1 1 A 53 53 SER N N 141 117.771 115.588 2.183 1
1 550 . 6 1 1 A 54 54 GLY H H 142 10.554 7.817 2.737 1
1 551 . 6 1 1 A 54 54 GLY HA2 H 142 3.781 3.967 -0.186 1
1 552 . 6 1 1 A 54 54 GLY HA3 H 142 4.210 3.974 0.236 1
1 553 . 6 1 1 A 54 54 GLY CA C 142 46.222 45.478 0.744 1
1 554 . 6 1 1 A 54 54 GLY N N 142 115.432 109.805 5.627 1
1 555 . 6 1 1 A 55 55 THR H H 143 7.940 7.819 0.121 1
1 556 . 6 1 1 A 55 55 THR HA H 143 5.081 4.405 0.676 1
1 561 . 6 1 1 A 55 55 THR CA C 143 59.861 61.756 -1.895 1
1 562 . 6 1 1 A 55 55 THR CB C 143 72.835 68.631 4.204 1
1 564 . 6 1 1 A 55 55 THR N N 143 110.471 114.716 -4.245 1
1 565 . 6 1 1 A 56 56 VAL H H 144 9.090 8.282 0.808 1
1 566 . 6 1 1 A 56 56 VAL HA H 144 4.553 4.394 0.159 1
1 574 . 6 1 1 A 56 56 VAL CA C 144 61.032 63.379 -2.347 1
1 575 . 6 1 1 A 56 56 VAL CB C 144 35.256 31.506 3.750 1
1 578 . 6 1 1 A 56 56 VAL N N 144 119.565 127.133 -7.568 1
1 579 . 6 1 1 A 57 57 ASP H H 145 8.870 8.369 0.501 1
1 580 . 6 1 1 A 57 57 ASP HA H 145 5.088 4.976 0.112 1
1 583 . 6 1 1 A 57 57 ASP CA C 145 53.231 53.705 -0.474 1
1 584 . 6 1 1 A 57 57 ASP CB C 145 42.146 42.060 0.086 1
1 585 . 6 1 1 A 57 57 ASP N N 145 126.198 128.662 -2.464 1
1 586 . 6 1 1 A 58 58 PHE H H 146 8.223 8.549 -0.326 1
1 587 . 6 1 1 A 58 58 PHE HA H 146 3.538 3.235 0.303 1
1 595 . 6 1 1 A 58 58 PHE CA C 146 61.718 61.003 0.715 1
1 596 . 6 1 1 A 58 58 PHE CB C 146 39.211 38.663 0.548 1
1 600 . 6 1 1 A 59 59 GLU H H 147 8.347 8.322 0.025 1
1 601 . 6 1 1 A 59 59 GLU HA H 147 3.746 4.241 -0.495 1
1 606 . 6 1 1 A 59 59 GLU CA C 147 60.061 57.920 2.141 1
1 607 . 6 1 1 A 59 59 GLU CB C 147 29.101 29.900 -0.799 1
1 609 . 6 1 1 A 59 59 GLU N N 147 118.710 117.540 1.170 1
1 610 . 6 1 1 A 60 60 GLU H H 148 8.380 8.043 0.337 1
1 611 . 6 1 1 A 60 60 GLU HA H 148 4.037 4.110 -0.073 1
1 616 . 6 1 1 A 60 60 GLU CA C 148 59.920 59.168 0.752 1
1 617 . 6 1 1 A 60 60 GLU CB C 148 30.080 29.229 0.851 1
1 618 . 6 1 1 A 60 60 GLU N N 148 121.774 120.480 1.294 1
1 619 . 6 1 1 A 61 61 PHE H H 149 8.421 8.231 0.190 1
1 620 . 6 1 1 A 61 61 PHE HA H 149 4.083 4.201 -0.118 1
1 628 . 6 1 1 A 61 61 PHE CA C 149 61.232 61.188 0.044 1
1 629 . 6 1 1 A 61 61 PHE CB C 149 39.863 38.962 0.901 1
1 633 . 6 1 1 A 61 61 PHE N N 149 121.039 120.868 0.171 1
1 634 . 6 1 1 A 62 62 MET H H 150 8.446 8.176 0.270 1
1 635 . 6 1 1 A 62 62 MET HA H 150 3.857 4.099 -0.242 1
1 643 . 6 1 1 A 62 62 MET CA C 150 57.310 58.337 -1.027 1
1 644 . 6 1 1 A 62 62 MET CB C 150 31.221 31.777 -0.556 1
1 647 . 6 1 1 A 62 62 MET N N 150 117.673 117.879 -0.206 1
1 648 . 6 1 1 A 63 63 GLY H H 151 7.889 8.020 -0.131 1
1 649 . 6 1 1 A 63 63 GLY HA2 H 151 3.774 3.699 0.075 1
1 650 . 6 1 1 A 63 63 GLY HA3 H 151 3.871 3.705 0.166 1
1 651 . 6 1 1 A 63 63 GLY CA C 151 47.038 47.108 -0.070 1
1 652 . 6 1 1 A 63 63 GLY N N 151 107.497 106.890 0.607 1
1 653 . 6 1 1 A 64 64 VAL H H 152 7.571 7.521 0.050 1
1 654 . 6 1 1 A 64 64 VAL HA H 152 3.937 3.675 0.262 1
1 662 . 6 1 1 A 64 64 VAL CA C 152 64.547 65.713 -1.166 1
1 663 . 6 1 1 A 64 64 VAL CB C 152 32.362 31.497 0.865 1
1 666 . 6 1 1 A 64 64 VAL N N 152 119.340 121.607 -2.267 1
1 667 . 6 1 1 A 65 65 MET H H 153 7.773 7.804 -0.031 1
1 668 . 6 1 1 A 65 65 MET HA H 153 4.367 4.095 0.272 1
1 676 . 6 1 1 A 65 65 MET CA C 153 55.874 57.958 -2.084 1
1 677 . 6 1 1 A 65 65 MET CB C 153 32.525 33.794 -1.269 1
1 680 . 6 1 1 A 65 65 MET N N 153 117.775 117.658 0.117 1
1 681 . 6 1 1 A 66 66 THR H H 154 7.789 8.101 -0.312 1
1 682 . 6 1 1 A 66 66 THR HA H 154 4.403 4.444 -0.041 1
1 687 . 6 1 1 A 66 66 THR CA C 154 62.204 61.036 1.168 1
1 688 . 6 1 1 A 66 66 THR CB C 154 70.577 68.662 1.915 1
1 690 . 6 1 1 A 66 66 THR N N 154 110.197 106.753 3.444 1
1 691 . 6 1 1 A 67 67 GLY H H 155 7.961 7.875 0.086 1
1 692 . 6 1 1 A 67 67 GLY HA2 H 155 4.017 3.776 0.241 1
1 693 . 6 1 1 A 67 67 GLY HA3 H 155 4.017 3.782 0.235 1
1 694 . 6 1 1 A 67 67 GLY CA C 155 45.896 47.011 -1.115 1
1 695 . 6 1 1 A 67 67 GLY N N 155 110.658 110.779 -0.121 1
1 696 . 6 1 1 A 68 68 GLY H H 156 8.313 8.313 0.000 1
1 697 . 6 1 1 A 68 68 GLY HA2 H 156 3.990 3.990 0.000 1
1 698 . 6 1 1 A 68 68 GLY HA3 H 156 3.990 3.992 -0.002 1
1 699 . 6 1 1 A 68 68 GLY CA C 156 45.407 46.299 -0.892 1
1 700 . 6 1 1 A 68 68 GLY N N 156 108.792 112.722 -3.930 1
1 701 . 6 1 1 A 69 69 ASP H H 157 8.290 8.020 0.270 1
1 702 . 6 1 1 A 69 69 ASP HA H 157 4.666 4.883 -0.217 1
1 705 . 6 1 1 A 69 69 ASP CA C 157 54.588 53.237 1.351 1
1 706 . 6 1 1 A 69 69 ASP CB C 157 41.700 41.747 -0.047 1
1 707 . 6 1 1 A 69 69 ASP N N 157 120.766 119.102 1.664 1
1 3 . 7 1 1 A 2 2 GLN H H 90 8.276 7.925 0.351 1
1 6 . 7 1 1 A 2 2 GLN N N 90 118.747 116.259 2.488 1
1 8 . 7 1 1 A 3 3 GLN H H 91 8.199 8.732 -0.533 1
1 11 . 7 1 1 A 3 3 GLN N N 91 120.090 125.064 -4.974 1
1 13 . 7 1 1 A 4 4 GLU H H 92 8.454 8.316 0.138 1
1 14 . 7 1 1 A 4 4 GLU N N 92 120.250 119.422 0.828 1
1 15 . 7 1 1 A 5 5 LEU H H 93 8.410 8.279 0.131 1
1 16 . 7 1 1 A 5 5 LEU HA H 93 4.255 4.490 -0.235 1
1 26 . 7 1 1 A 5 5 LEU CA C 93 58.103 55.968 2.135 1
1 27 . 7 1 1 A 5 5 LEU CB C 93 42.309 41.995 0.314 1
1 31 . 7 1 1 A 5 5 LEU N N 93 121.261 127.367 -6.106 1
1 32 . 7 1 1 A 6 6 ARG H H 94 8.345 8.132 0.213 1
1 33 . 7 1 1 A 6 6 ARG HA H 94 4.061 4.343 -0.282 1
1 41 . 7 1 1 A 6 6 ARG CA C 94 60.241 58.233 2.008 1
1 42 . 7 1 1 A 6 6 ARG CB C 94 30.080 30.321 -0.241 1
1 45 . 7 1 1 A 6 6 ARG N N 94 119.790 120.025 -0.235 1
1 46 . 7 1 1 A 7 7 GLU H H 95 8.010 8.099 -0.089 1
1 47 . 7 1 1 A 7 7 GLU HA H 95 4.122 4.028 0.094 1
1 52 . 7 1 1 A 7 7 GLU CA C 95 59.861 59.355 0.506 1
1 53 . 7 1 1 A 7 7 GLU CB C 95 28.812 29.589 -0.777 1
1 54 . 7 1 1 A 7 7 GLU N N 95 118.474 119.247 -0.773 1
1 55 . 7 1 1 A 8 8 ALA H H 96 8.052 8.148 -0.096 1
1 56 . 7 1 1 A 8 8 ALA HA H 96 4.199 4.084 0.115 1
1 60 . 7 1 1 A 8 8 ALA CA C 96 55.174 55.033 0.141 1
1 61 . 7 1 1 A 8 8 ALA CB C 96 18.502 18.594 -0.092 1
1 62 . 7 1 1 A 8 8 ALA N N 96 122.505 122.459 0.046 1
1 63 . 7 1 1 A 9 9 PHE H H 97 8.432 7.975 0.457 1
1 64 . 7 1 1 A 9 9 PHE HA H 97 3.803 4.169 -0.366 1
1 72 . 7 1 1 A 9 9 PHE CA C 97 61.732 61.966 -0.234 1
1 73 . 7 1 1 A 9 9 PHE CB C 97 39.537 39.164 0.373 1
1 77 . 7 1 1 A 9 9 PHE N N 97 117.510 119.861 -2.351 1
1 78 . 7 1 1 A 10 10 ARG H H 98 7.840 8.621 -0.781 1
1 79 . 7 1 1 A 10 10 ARG HA H 98 3.955 4.116 -0.161 1
1 86 . 7 1 1 A 10 10 ARG CA C 98 59.109 58.150 0.959 1
1 87 . 7 1 1 A 10 10 ARG CB C 98 30.243 28.868 1.375 1
1 90 . 7 1 1 A 10 10 ARG N N 98 116.256 118.378 -2.122 1
1 91 . 7 1 1 A 11 11 LEU H H 99 7.578 7.441 0.137 1
1 92 . 7 1 1 A 11 11 LEU HA H 99 3.958 4.041 -0.083 1
1 102 . 7 1 1 A 11 11 LEU CA C 99 57.310 56.464 0.846 1
1 103 . 7 1 1 A 11 11 LEU CB C 99 41.820 41.948 -0.128 1
1 107 . 7 1 1 A 11 11 LEU N N 99 118.446 120.065 -1.619 1
1 108 . 7 1 1 A 12 12 TYR H H 100 7.523 7.078 0.445 1
1 109 . 7 1 1 A 12 12 TYR HA H 100 4.369 4.284 0.085 1
1 116 . 7 1 1 A 12 12 TYR CA C 100 59.861 60.291 -0.430 1
1 117 . 7 1 1 A 12 12 TYR CB C 100 39.700 39.225 0.475 1
1 120 . 7 1 1 A 12 12 TYR N N 100 116.280 116.801 -0.521 1
1 121 . 7 1 1 A 13 13 ASP H H 101 7.945 7.768 0.177 1
1 122 . 7 1 1 A 13 13 ASP HA H 101 4.787 4.411 0.376 1
1 125 . 7 1 1 A 13 13 ASP CA C 101 52.245 52.350 -0.105 1
1 126 . 7 1 1 A 13 13 ASP CB C 101 39.537 38.658 0.879 1
1 127 . 7 1 1 A 13 13 ASP N N 101 121.756 117.599 4.157 1
1 128 . 7 1 1 A 14 14 LYS H H 102 7.858 8.163 -0.305 1
1 129 . 7 1 1 A 14 14 LYS HA H 102 4.033 3.963 0.070 1
1 138 . 7 1 1 A 14 14 LYS CA C 102 59.269 59.837 -0.568 1
1 139 . 7 1 1 A 14 14 LYS CB C 102 32.688 32.540 0.148 1
1 143 . 7 1 1 A 14 14 LYS N N 102 123.213 125.344 -2.131 1
1 144 . 7 1 1 A 15 15 GLU H H 103 8.640 7.825 0.815 1
1 145 . 7 1 1 A 15 15 GLU HA H 103 4.218 4.211 0.007 1
1 150 . 7 1 1 A 15 15 GLU CA C 103 56.981 56.373 0.608 1
1 151 . 7 1 1 A 15 15 GLU CB C 103 29.753 29.883 -0.130 1
1 153 . 7 1 1 A 15 15 GLU N N 103 116.301 116.316 -0.015 1
1 154 . 7 1 1 A 16 16 GLY H H 104 7.824 7.796 0.028 1
1 155 . 7 1 1 A 16 16 GLY HA2 H 104 3.724 3.918 -0.194 1
1 156 . 7 1 1 A 16 16 GLY HA3 H 104 3.855 3.935 -0.080 1
1 157 . 7 1 1 A 16 16 GLY CA C 104 47.201 46.439 0.762 1
1 158 . 7 1 1 A 16 16 GLY N N 104 109.341 108.191 1.150 1
1 159 . 7 1 1 A 17 17 ASN H H 105 9.620 8.926 0.694 1
1 160 . 7 1 1 A 17 17 ASN HA H 105 4.562 4.667 -0.105 1
1 165 . 7 1 1 A 17 17 ASN CA C 105 54.588 52.744 1.844 1
1 166 . 7 1 1 A 17 17 ASN CB C 105 39.374 39.363 0.011 1
1 167 . 7 1 1 A 17 17 ASN N N 105 120.357 116.266 4.091 1
1 169 . 7 1 1 A 18 18 GLY H H 106 10.621 9.486 1.135 1
1 170 . 7 1 1 A 18 18 GLY HA2 H 106 3.650 4.022 -0.372 1
1 171 . 7 1 1 A 18 18 GLY HA3 H 106 4.265 4.084 0.181 1
1 172 . 7 1 1 A 18 18 GLY CA C 106 45.733 45.371 0.362 1
1 173 . 7 1 1 A 18 18 GLY N N 106 111.026 107.463 3.563 1
1 174 . 7 1 1 A 19 19 TYR H H 107 7.300 7.227 0.073 1
1 175 . 7 1 1 A 19 19 TYR HA H 107 5.472 5.377 0.095 1
1 182 . 7 1 1 A 19 19 TYR CA C 107 56.346 56.393 -0.047 1
1 183 . 7 1 1 A 19 19 TYR CB C 107 40.841 40.955 -0.114 1
1 186 . 7 1 1 A 19 19 TYR N N 107 115.597 115.310 0.287 1
1 187 . 7 1 1 A 20 20 ILE H H 108 8.866 9.734 -0.868 1
1 188 . 7 1 1 A 20 20 ILE HA H 108 4.778 4.759 0.019 1
1 198 . 7 1 1 A 20 20 ILE CA C 108 59.275 59.147 0.128 1
1 199 . 7 1 1 A 20 20 ILE CB C 108 42.635 41.050 1.585 1
1 203 . 7 1 1 A 20 20 ILE N N 108 113.436 118.638 -5.202 1
1 204 . 7 1 1 A 21 21 SER H H 109 8.620 8.583 0.037 1
1 205 . 7 1 1 A 21 21 SER HA H 109 5.058 4.538 0.520 1
1 208 . 7 1 1 A 21 21 SER CA C 109 57.756 59.482 -1.726 1
1 209 . 7 1 1 A 21 21 SER CB C 109 63.883 63.472 0.411 1
1 210 . 7 1 1 A 21 21 SER N N 109 117.553 120.988 -3.435 1
1 211 . 7 1 1 A 22 22 THR H H 110 8.354 8.910 -0.556 1
1 212 . 7 1 1 A 22 22 THR HA H 110 3.801 3.993 -0.192 1
1 217 . 7 1 1 A 22 22 THR CA C 110 65.633 65.543 0.090 1
1 218 . 7 1 1 A 22 22 THR CB C 110 67.909 68.320 -0.411 1
1 220 . 7 1 1 A 22 22 THR N N 110 114.232 118.477 -4.245 1
1 221 . 7 1 1 A 23 23 ASP H H 111 8.177 8.126 0.051 1
1 222 . 7 1 1 A 23 23 ASP HA H 111 4.392 4.354 0.038 1
1 225 . 7 1 1 A 23 23 ASP CA C 111 57.779 57.527 0.252 1
1 226 . 7 1 1 A 23 23 ASP CB C 111 40.352 40.436 -0.084 1
1 227 . 7 1 1 A 23 23 ASP N N 111 120.992 122.680 -1.688 1
1 228 . 7 1 1 A 24 24 VAL H H 112 7.504 7.995 -0.491 1
1 229 . 7 1 1 A 24 24 VAL HA H 112 3.744 3.460 0.284 1
1 237 . 7 1 1 A 24 24 VAL CA C 112 65.719 66.329 -0.610 1
1 238 . 7 1 1 A 24 24 VAL CB C 112 31.741 31.225 0.516 1
1 241 . 7 1 1 A 24 24 VAL N N 112 122.123 121.157 0.966 1
1 242 . 7 1 1 A 25 25 MET H H 113 7.984 7.914 0.070 1
1 243 . 7 1 1 A 25 25 MET HA H 113 4.069 4.151 -0.082 1
1 251 . 7 1 1 A 25 25 MET CA C 113 58.552 58.307 0.245 1
1 252 . 7 1 1 A 25 25 MET CB C 113 33.504 31.807 1.697 1
1 255 . 7 1 1 A 25 25 MET N N 113 119.521 120.404 -0.883 1
1 256 . 7 1 1 A 26 26 ARG H H 114 8.190 7.715 0.475 1
1 257 . 7 1 1 A 26 26 ARG HA H 114 3.745 4.142 -0.397 1
1 265 . 7 1 1 A 26 26 ARG CA C 114 60.747 58.034 2.713 1
1 266 . 7 1 1 A 26 26 ARG CB C 114 29.398 29.190 0.208 1
1 269 . 7 1 1 A 26 26 ARG N N 114 117.832 118.108 -0.276 1
1 270 . 7 1 1 A 27 27 GLU H H 115 7.265 7.893 -0.628 1
1 271 . 7 1 1 A 27 27 GLU HA H 115 4.010 4.184 -0.174 1
1 276 . 7 1 1 A 27 27 GLU CA C 115 59.435 58.898 0.537 1
1 277 . 7 1 1 A 27 27 GLU N N 115 117.949 119.765 -1.816 1
1 278 . 7 1 1 A 28 28 ILE H H 116 8.074 8.127 -0.053 1
1 279 . 7 1 1 A 28 28 ILE HA H 116 3.622 3.678 -0.056 1
1 289 . 7 1 1 A 28 28 ILE CA C 116 65.633 65.822 -0.189 1
1 290 . 7 1 1 A 28 28 ILE CB C 116 38.771 38.265 0.506 1
1 294 . 7 1 1 A 28 28 ILE N N 116 120.582 120.218 0.364 1
1 295 . 7 1 1 A 29 29 LEU H H 117 8.183 8.628 -0.445 1
1 296 . 7 1 1 A 29 29 LEU HA H 117 3.901 4.028 -0.127 1
1 306 . 7 1 1 A 29 29 LEU CA C 117 58.103 57.656 0.447 1
1 307 . 7 1 1 A 29 29 LEU CB C 117 42.286 41.035 1.251 1
1 311 . 7 1 1 A 29 29 LEU N N 117 118.919 118.302 0.617 1
1 312 . 7 1 1 A 30 30 ALA H H 118 7.920 7.733 0.187 1
1 313 . 7 1 1 A 30 30 ALA HA H 118 4.131 4.081 0.050 1
1 317 . 7 1 1 A 30 30 ALA CA C 118 54.588 54.786 -0.198 1
1 318 . 7 1 1 A 30 30 ALA CB C 118 18.992 18.224 0.768 1
1 319 . 7 1 1 A 30 30 ALA N N 118 119.224 121.883 -2.659 1
1 320 . 7 1 1 A 31 31 GLU H H 119 7.553 7.702 -0.149 1
1 321 . 7 1 1 A 31 31 GLU HA H 119 4.103 4.376 -0.273 1
1 326 . 7 1 1 A 31 31 GLU CA C 119 58.126 57.703 0.423 1
1 327 . 7 1 1 A 31 31 GLU CB C 119 30.080 30.454 -0.374 1
1 328 . 7 1 1 A 31 31 GLU N N 119 116.043 116.504 -0.461 1
1 329 . 7 1 1 A 32 32 LEU H H 120 7.774 8.649 -0.875 1
1 330 . 7 1 1 A 32 32 LEU HA H 120 4.195 4.151 0.044 1
1 340 . 7 1 1 A 32 32 LEU CA C 120 56.946 58.043 -1.097 1
1 341 . 7 1 1 A 32 32 LEU CB C 120 42.961 41.896 1.065 1
1 345 . 7 1 1 A 32 32 LEU N N 120 119.210 122.356 -3.146 1
1 346 . 7 1 1 A 33 33 ASP H H 121 7.796 8.168 -0.372 1
1 347 . 7 1 1 A 33 33 ASP HA H 121 4.735 4.884 -0.149 1
1 350 . 7 1 1 A 33 33 ASP CA C 121 53.409 52.388 1.021 1
1 351 . 7 1 1 A 33 33 ASP CB C 121 41.168 43.209 -2.041 1
1 352 . 7 1 1 A 33 33 ASP N N 121 117.407 119.196 -1.789 1
1 353 . 7 1 1 A 34 34 GLU H H 122 8.884 8.311 0.573 1
1 354 . 7 1 1 A 34 34 GLU HA H 122 4.463 4.779 -0.316 1
1 359 . 7 1 1 A 34 34 GLU CA C 122 57.967 55.502 2.465 1
1 360 . 7 1 1 A 34 34 GLU CB C 122 29.753 29.630 0.123 1
1 362 . 7 1 1 A 34 34 GLU N N 122 123.975 120.979 2.996 1
1 363 . 7 1 1 A 35 35 THR H H 123 8.608 8.570 0.038 1
1 364 . 7 1 1 A 35 35 THR HA H 123 4.347 3.984 0.363 1
1 369 . 7 1 1 A 35 35 THR CA C 123 62.804 62.914 -0.110 1
1 370 . 7 1 1 A 35 35 THR CB C 123 69.406 67.246 2.160 1
1 372 . 7 1 1 A 35 35 THR N N 123 111.220 113.241 -2.021 1
1 373 . 7 1 1 A 36 36 LEU H H 124 7.104 8.137 -1.033 1
1 374 . 7 1 1 A 36 36 LEU HA H 124 4.461 4.340 0.121 1
1 384 . 7 1 1 A 36 36 LEU CA C 124 55.174 54.996 0.178 1
1 385 . 7 1 1 A 36 36 LEU CB C 124 42.635 42.097 0.538 1
1 389 . 7 1 1 A 36 36 LEU N N 124 122.774 123.410 -0.636 1
1 390 . 7 1 1 A 37 37 SER H H 125 9.468 8.494 0.974 1
1 391 . 7 1 1 A 37 37 SER HA H 125 4.594 4.631 -0.037 1
1 394 . 7 1 1 A 37 37 SER CA C 125 56.932 58.386 -1.454 1
1 395 . 7 1 1 A 37 37 SER CB C 125 66.119 63.803 2.316 1
1 396 . 7 1 1 A 37 37 SER N N 125 121.762 119.076 2.686 1
1 397 . 7 1 1 A 38 38 SER H H 126 8.970 9.070 -0.100 1
1 398 . 7 1 1 A 38 38 SER HA H 126 3.925 4.082 -0.157 1
1 401 . 7 1 1 A 38 38 SER CA C 126 63.004 61.841 1.163 1
1 402 . 7 1 1 A 38 38 SER CB C 126 62.364 62.989 -0.625 1
1 403 . 7 1 1 A 38 38 SER N N 126 116.391 121.633 -5.242 1
1 404 . 7 1 1 A 39 39 GLU H H 127 8.468 7.504 0.964 1
1 405 . 7 1 1 A 39 39 GLU HA H 127 4.125 4.129 -0.004 1
1 410 . 7 1 1 A 39 39 GLU CA C 127 60.082 59.326 0.756 1
1 411 . 7 1 1 A 39 39 GLU CB C 127 29.427 29.312 0.115 1
1 413 . 7 1 1 A 39 39 GLU N N 127 119.790 122.395 -2.605 1
1 414 . 7 1 1 A 40 40 ASP H H 128 7.981 7.777 0.204 1
1 415 . 7 1 1 A 40 40 ASP HA H 128 4.414 4.514 -0.100 1
1 418 . 7 1 1 A 40 40 ASP CA C 128 57.473 56.930 0.543 1
1 419 . 7 1 1 A 40 40 ASP CB C 128 41.331 40.771 0.560 1
1 420 . 7 1 1 A 40 40 ASP N N 128 122.463 120.528 1.935 1
1 421 . 7 1 1 A 41 41 LEU H H 129 8.289 8.098 0.191 1
1 422 . 7 1 1 A 41 41 LEU HA H 129 4.019 4.062 -0.043 1
1 432 . 7 1 1 A 41 41 LEU CA C 129 58.603 57.829 0.774 1
1 433 . 7 1 1 A 41 41 LEU CB C 129 42.146 40.767 1.379 1
1 437 . 7 1 1 A 41 41 LEU N N 129 121.708 121.077 0.631 1
1 438 . 7 1 1 A 42 42 ASP H H 130 8.353 8.603 -0.250 1
1 439 . 7 1 1 A 42 42 ASP HA H 130 4.225 4.254 -0.029 1
1 442 . 7 1 1 A 42 42 ASP CA C 130 57.797 57.886 -0.089 1
1 443 . 7 1 1 A 42 42 ASP CB C 130 40.352 41.868 -1.516 1
1 444 . 7 1 1 A 42 42 ASP N N 130 119.133 119.561 -0.428 1
1 445 . 7 1 1 A 43 43 ALA H H 131 7.675 7.875 -0.200 1
1 446 . 7 1 1 A 43 43 ALA HA H 131 4.196 4.018 0.178 1
1 450 . 7 1 1 A 43 43 ALA CA C 131 55.002 55.379 -0.377 1
1 451 . 7 1 1 A 43 43 ALA CB C 131 18.267 18.365 -0.098 1
1 452 . 7 1 1 A 43 43 ALA N N 131 121.142 121.385 -0.243 1
1 453 . 7 1 1 A 44 44 MET H H 132 8.039 7.750 0.289 1
1 454 . 7 1 1 A 44 44 MET HA H 132 4.153 4.187 -0.034 1
1 462 . 7 1 1 A 44 44 MET CA C 132 59.435 58.584 0.851 1
1 463 . 7 1 1 A 44 44 MET CB C 132 33.830 32.532 1.298 1
1 466 . 7 1 1 A 44 44 MET N N 132 118.616 116.190 2.426 1
1 467 . 7 1 1 A 45 45 ILE H H 133 8.322 7.808 0.514 1
1 468 . 7 1 1 A 45 45 ILE HA H 133 3.718 3.854 -0.136 1
1 478 . 7 1 1 A 45 45 ILE CA C 133 62.804 64.395 -1.591 1
1 479 . 7 1 1 A 45 45 ILE CB C 133 35.787 36.590 -0.803 1
1 483 . 7 1 1 A 45 45 ILE N N 133 119.464 120.122 -0.658 1
1 484 . 7 1 1 A 46 46 ASP H H 134 7.995 8.465 -0.470 1
1 485 . 7 1 1 A 46 46 ASP HA H 134 4.340 4.316 0.024 1
1 488 . 7 1 1 A 46 46 ASP CA C 134 57.317 58.013 -0.696 1
1 489 . 7 1 1 A 46 46 ASP CB C 134 41.005 41.556 -0.551 1
1 490 . 7 1 1 A 47 47 GLU H H 135 7.371 8.294 -0.923 1
1 491 . 7 1 1 A 47 47 GLU HA H 135 4.106 4.158 -0.052 1
1 496 . 7 1 1 A 47 47 GLU CA C 135 58.543 58.516 0.027 1
1 497 . 7 1 1 A 47 47 GLU CB C 135 29.916 28.638 1.278 1
1 499 . 7 1 1 A 47 47 GLU N N 135 116.443 116.817 -0.374 1
1 500 . 7 1 1 A 48 48 ILE H H 136 8.523 7.852 0.671 1
1 501 . 7 1 1 A 48 48 ILE HA H 136 4.000 4.190 -0.190 1
1 511 . 7 1 1 A 48 48 ILE CA C 136 63.676 62.772 0.904 1
1 512 . 7 1 1 A 48 48 ILE CB C 136 39.357 38.462 0.895 1
1 516 . 7 1 1 A 48 48 ILE N N 136 121.250 118.262 2.988 1
1 517 . 7 1 1 A 49 49 ASP H H 137 7.840 8.357 -0.517 1
1 518 . 7 1 1 A 49 49 ASP HA H 137 5.106 4.689 0.417 1
1 521 . 7 1 1 A 49 49 ASP CA C 137 52.581 54.510 -1.929 1
1 522 . 7 1 1 A 49 49 ASP CB C 137 40.189 40.037 0.152 1
1 523 . 7 1 1 A 49 49 ASP N N 137 117.820 121.971 -4.151 1
1 524 . 7 1 1 A 50 50 ALA H H 138 7.846 8.922 -1.076 1
1 525 . 7 1 1 A 50 50 ALA HA H 138 4.181 4.684 -0.503 1
1 529 . 7 1 1 A 50 50 ALA CA C 138 55.346 50.675 4.671 1
1 530 . 7 1 1 A 50 50 ALA CB C 138 19.318 19.096 0.222 1
1 531 . 7 1 1 A 50 50 ALA N N 138 125.638 125.964 -0.326 1
1 532 . 7 1 1 A 51 51 ASP H H 139 8.485 8.922 -0.437 1
1 533 . 7 1 1 A 51 51 ASP HA H 139 4.653 4.864 -0.211 1
1 536 . 7 1 1 A 51 51 ASP CB C 139 40.841 43.583 -2.742 1
1 537 . 7 1 1 A 51 51 ASP N N 139 113.885 121.079 -7.194 1
1 538 . 7 1 1 A 52 52 GLY H H 140 7.900 7.362 0.538 1
1 539 . 7 1 1 A 52 52 GLY HA2 H 140 3.845 3.988 -0.143 1
1 540 . 7 1 1 A 52 52 GLY HA3 H 140 3.845 4.016 -0.171 1
1 541 . 7 1 1 A 52 52 GLY CA C 140 47.527 45.837 1.690 1
1 542 . 7 1 1 A 52 52 GLY N N 140 113.060 106.100 6.960 1
1 543 . 7 1 1 A 53 53 SER H H 141 9.150 8.908 0.242 1
1 544 . 7 1 1 A 53 53 SER HA H 141 4.227 4.165 0.062 1
1 547 . 7 1 1 A 53 53 SER CA C 141 60.461 59.069 1.392 1
1 548 . 7 1 1 A 53 53 SER CB C 141 64.645 61.056 3.589 1
1 549 . 7 1 1 A 53 53 SER N N 141 117.771 118.485 -0.714 1
1 550 . 7 1 1 A 54 54 GLY H H 142 10.554 8.113 2.441 1
1 551 . 7 1 1 A 54 54 GLY HA2 H 142 3.781 4.067 -0.286 1
1 552 . 7 1 1 A 54 54 GLY HA3 H 142 4.210 4.070 0.140 1
1 553 . 7 1 1 A 54 54 GLY CA C 142 46.222 45.623 0.599 1
1 554 . 7 1 1 A 54 54 GLY N N 142 115.432 108.066 7.366 1
1 555 . 7 1 1 A 55 55 THR H H 143 7.940 7.629 0.311 1
1 556 . 7 1 1 A 55 55 THR HA H 143 5.081 4.313 0.768 1
1 561 . 7 1 1 A 55 55 THR CA C 143 59.861 63.676 -3.815 1
1 562 . 7 1 1 A 55 55 THR CB C 143 72.835 69.135 3.700 1
1 564 . 7 1 1 A 55 55 THR N N 143 110.471 115.145 -4.674 1
1 565 . 7 1 1 A 56 56 VAL H H 144 9.090 8.446 0.644 1
1 566 . 7 1 1 A 56 56 VAL HA H 144 4.553 4.139 0.414 1
1 574 . 7 1 1 A 56 56 VAL CA C 144 61.032 62.992 -1.960 1
1 575 . 7 1 1 A 56 56 VAL CB C 144 35.256 31.136 4.120 1
1 578 . 7 1 1 A 56 56 VAL N N 144 119.565 127.697 -8.132 1
1 579 . 7 1 1 A 57 57 ASP H H 145 8.870 8.636 0.234 1
1 580 . 7 1 1 A 57 57 ASP HA H 145 5.088 5.318 -0.230 1
1 583 . 7 1 1 A 57 57 ASP CA C 145 53.231 52.641 0.590 1
1 584 . 7 1 1 A 57 57 ASP CB C 145 42.146 41.687 0.459 1
1 585 . 7 1 1 A 57 57 ASP N N 145 126.198 129.023 -2.825 1
1 586 . 7 1 1 A 58 58 PHE H H 146 8.223 8.822 -0.599 1
1 587 . 7 1 1 A 58 58 PHE HA H 146 3.538 3.757 -0.219 1
1 595 . 7 1 1 A 58 58 PHE CA C 146 61.718 61.916 -0.198 1
1 596 . 7 1 1 A 58 58 PHE CB C 146 39.211 38.877 0.334 1
1 600 . 7 1 1 A 59 59 GLU H H 147 8.347 8.585 -0.238 1
1 601 . 7 1 1 A 59 59 GLU HA H 147 3.746 3.703 0.043 1
1 606 . 7 1 1 A 59 59 GLU CA C 147 60.061 59.807 0.254 1
1 607 . 7 1 1 A 59 59 GLU CB C 147 29.101 29.424 -0.323 1
1 609 . 7 1 1 A 59 59 GLU N N 147 118.710 117.616 1.094 1
1 610 . 7 1 1 A 60 60 GLU H H 148 8.380 8.084 0.296 1
1 611 . 7 1 1 A 60 60 GLU HA H 148 4.037 4.048 -0.011 1
1 616 . 7 1 1 A 60 60 GLU CA C 148 59.920 59.410 0.510 1
1 617 . 7 1 1 A 60 60 GLU CB C 148 30.080 29.549 0.531 1
1 618 . 7 1 1 A 60 60 GLU N N 148 121.774 120.229 1.545 1
1 619 . 7 1 1 A 61 61 PHE H H 149 8.421 8.804 -0.383 1
1 620 . 7 1 1 A 61 61 PHE HA H 149 4.083 4.161 -0.078 1
1 628 . 7 1 1 A 61 61 PHE CA C 149 61.232 61.166 0.066 1
1 629 . 7 1 1 A 61 61 PHE CB C 149 39.863 38.932 0.931 1
1 633 . 7 1 1 A 61 61 PHE N N 149 121.039 120.849 0.190 1
1 634 . 7 1 1 A 62 62 MET H H 150 8.446 8.061 0.385 1
1 635 . 7 1 1 A 62 62 MET HA H 150 3.857 3.781 0.076 1
1 643 . 7 1 1 A 62 62 MET CA C 150 57.310 58.189 -0.879 1
1 644 . 7 1 1 A 62 62 MET CB C 150 31.221 31.725 -0.504 1
1 647 . 7 1 1 A 62 62 MET N N 150 117.673 117.658 0.015 1
1 648 . 7 1 1 A 63 63 GLY H H 151 7.889 8.183 -0.294 1
1 649 . 7 1 1 A 63 63 GLY HA2 H 151 3.774 3.653 0.121 1
1 650 . 7 1 1 A 63 63 GLY HA3 H 151 3.871 3.668 0.203 1
1 651 . 7 1 1 A 63 63 GLY CA C 151 47.038 47.092 -0.054 1
1 652 . 7 1 1 A 63 63 GLY N N 151 107.497 106.938 0.559 1
1 653 . 7 1 1 A 64 64 VAL H H 152 7.571 7.886 -0.315 1
1 654 . 7 1 1 A 64 64 VAL HA H 152 3.937 3.679 0.258 1
1 662 . 7 1 1 A 64 64 VAL CA C 152 64.547 65.603 -1.056 1
1 663 . 7 1 1 A 64 64 VAL CB C 152 32.362 31.794 0.568 1
1 666 . 7 1 1 A 64 64 VAL N N 152 119.340 121.603 -2.263 1
1 667 . 7 1 1 A 65 65 MET H H 153 7.773 7.667 0.106 1
1 668 . 7 1 1 A 65 65 MET HA H 153 4.367 4.133 0.234 1
1 676 . 7 1 1 A 65 65 MET CA C 153 55.874 57.950 -2.076 1
1 677 . 7 1 1 A 65 65 MET CB C 153 32.525 32.668 -0.143 1
1 680 . 7 1 1 A 65 65 MET N N 153 117.775 120.129 -2.354 1
1 681 . 7 1 1 A 66 66 THR H H 154 7.789 7.645 0.144 1
1 682 . 7 1 1 A 66 66 THR HA H 154 4.403 4.426 -0.023 1
1 687 . 7 1 1 A 66 66 THR CA C 154 62.204 61.335 0.869 1
1 688 . 7 1 1 A 66 66 THR CB C 154 70.577 69.315 1.262 1
1 690 . 7 1 1 A 66 66 THR N N 154 110.197 112.278 -2.081 1
1 691 . 7 1 1 A 67 67 GLY H H 155 7.961 8.510 -0.549 1
1 692 . 7 1 1 A 67 67 GLY HA2 H 155 4.017 3.954 0.063 1
1 693 . 7 1 1 A 67 67 GLY HA3 H 155 4.017 3.962 0.055 1
1 694 . 7 1 1 A 67 67 GLY CA C 155 45.896 45.288 0.608 1
1 695 . 7 1 1 A 67 67 GLY N N 155 110.658 113.979 -3.321 1
1 696 . 7 1 1 A 68 68 GLY H H 156 8.313 7.776 0.537 1
1 697 . 7 1 1 A 68 68 GLY HA2 H 156 3.990 4.050 -0.060 1
1 698 . 7 1 1 A 68 68 GLY HA3 H 156 3.990 4.052 -0.062 1
1 699 . 7 1 1 A 68 68 GLY CA C 156 45.407 45.366 0.041 1
1 700 . 7 1 1 A 68 68 GLY N N 156 108.792 107.112 1.680 1
1 701 . 7 1 1 A 69 69 ASP H H 157 8.290 7.913 0.377 1
1 702 . 7 1 1 A 69 69 ASP HA H 157 4.666 4.936 -0.270 1
1 705 . 7 1 1 A 69 69 ASP CA C 157 54.588 53.075 1.513 1
1 706 . 7 1 1 A 69 69 ASP CB C 157 41.700 42.987 -1.287 1
1 707 . 7 1 1 A 69 69 ASP N N 157 120.766 121.638 -0.872 1
1 3 . 8 1 1 A 2 2 GLN H H 90 8.276 8.898 -0.622 1
1 6 . 8 1 1 A 2 2 GLN N N 90 118.747 123.611 -4.864 1
1 8 . 8 1 1 A 3 3 GLN H H 91 8.199 8.402 -0.203 1
1 11 . 8 1 1 A 3 3 GLN N N 91 120.090 118.227 1.863 1
1 13 . 8 1 1 A 4 4 GLU H H 92 8.454 7.574 0.880 1
1 14 . 8 1 1 A 4 4 GLU N N 92 120.250 121.705 -1.455 1
1 15 . 8 1 1 A 5 5 LEU H H 93 8.410 8.687 -0.277 1
1 16 . 8 1 1 A 5 5 LEU HA H 93 4.255 4.302 -0.047 1
1 26 . 8 1 1 A 5 5 LEU CA C 93 58.103 57.746 0.357 1
1 27 . 8 1 1 A 5 5 LEU CB C 93 42.309 41.604 0.705 1
1 31 . 8 1 1 A 5 5 LEU N N 93 121.261 126.782 -5.521 1
1 32 . 8 1 1 A 6 6 ARG H H 94 8.345 8.222 0.123 1
1 33 . 8 1 1 A 6 6 ARG HA H 94 4.061 4.028 0.033 1
1 41 . 8 1 1 A 6 6 ARG CA C 94 60.241 59.625 0.616 1
1 42 . 8 1 1 A 6 6 ARG CB C 94 30.080 29.839 0.241 1
1 45 . 8 1 1 A 6 6 ARG N N 94 119.790 120.972 -1.182 1
1 46 . 8 1 1 A 7 7 GLU H H 95 8.010 8.655 -0.645 1
1 47 . 8 1 1 A 7 7 GLU HA H 95 4.122 4.102 0.020 1
1 52 . 8 1 1 A 7 7 GLU CA C 95 59.861 59.513 0.348 1
1 53 . 8 1 1 A 7 7 GLU CB C 95 28.812 29.391 -0.579 1
1 54 . 8 1 1 A 7 7 GLU N N 95 118.474 119.141 -0.667 1
1 55 . 8 1 1 A 8 8 ALA H H 96 8.052 8.166 -0.114 1
1 56 . 8 1 1 A 8 8 ALA HA H 96 4.199 4.244 -0.045 1
1 60 . 8 1 1 A 8 8 ALA CA C 96 55.174 55.185 -0.011 1
1 61 . 8 1 1 A 8 8 ALA CB C 96 18.502 18.869 -0.367 1
1 62 . 8 1 1 A 8 8 ALA N N 96 122.505 121.427 1.078 1
1 63 . 8 1 1 A 9 9 PHE H H 97 8.432 8.782 -0.350 1
1 64 . 8 1 1 A 9 9 PHE HA H 97 3.803 4.120 -0.317 1
1 72 . 8 1 1 A 9 9 PHE CA C 97 61.732 61.980 -0.248 1
1 73 . 8 1 1 A 9 9 PHE CB C 97 39.537 39.022 0.515 1
1 77 . 8 1 1 A 9 9 PHE N N 97 117.510 119.765 -2.255 1
1 78 . 8 1 1 A 10 10 ARG H H 98 7.840 8.485 -0.645 1
1 79 . 8 1 1 A 10 10 ARG HA H 98 3.955 4.743 -0.788 1
1 86 . 8 1 1 A 10 10 ARG CA C 98 59.109 58.031 1.078 1
1 87 . 8 1 1 A 10 10 ARG CB C 98 30.243 29.049 1.194 1
1 90 . 8 1 1 A 10 10 ARG N N 98 116.256 118.044 -1.788 1
1 91 . 8 1 1 A 11 11 LEU H H 99 7.578 7.595 -0.017 1
1 92 . 8 1 1 A 11 11 LEU HA H 99 3.958 4.073 -0.115 1
1 102 . 8 1 1 A 11 11 LEU CA C 99 57.310 55.794 1.516 1
1 103 . 8 1 1 A 11 11 LEU CB C 99 41.820 42.095 -0.275 1
1 107 . 8 1 1 A 11 11 LEU N N 99 118.446 120.001 -1.555 1
1 108 . 8 1 1 A 12 12 TYR H H 100 7.523 7.449 0.074 1
1 109 . 8 1 1 A 12 12 TYR HA H 100 4.369 4.392 -0.023 1
1 116 . 8 1 1 A 12 12 TYR CA C 100 59.861 59.115 0.746 1
1 117 . 8 1 1 A 12 12 TYR CB C 100 39.700 39.938 -0.238 1
1 120 . 8 1 1 A 12 12 TYR N N 100 116.280 116.866 -0.586 1
1 121 . 8 1 1 A 13 13 ASP H H 101 7.945 8.201 -0.256 1
1 122 . 8 1 1 A 13 13 ASP HA H 101 4.787 4.085 0.702 1
1 125 . 8 1 1 A 13 13 ASP CA C 101 52.245 53.961 -1.716 1
1 126 . 8 1 1 A 13 13 ASP CB C 101 39.537 39.529 0.008 1
1 127 . 8 1 1 A 13 13 ASP N N 101 121.756 119.104 2.652 1
1 128 . 8 1 1 A 14 14 LYS H H 102 7.858 8.037 -0.179 1
1 129 . 8 1 1 A 14 14 LYS HA H 102 4.033 3.997 0.036 1
1 138 . 8 1 1 A 14 14 LYS CA C 102 59.269 59.411 -0.142 1
1 139 . 8 1 1 A 14 14 LYS CB C 102 32.688 31.959 0.729 1
1 143 . 8 1 1 A 14 14 LYS N N 102 123.213 119.921 3.292 1
1 144 . 8 1 1 A 15 15 GLU H H 103 8.640 8.140 0.500 1
1 145 . 8 1 1 A 15 15 GLU HA H 103 4.218 4.467 -0.249 1
1 150 . 8 1 1 A 15 15 GLU CA C 103 56.981 56.496 0.485 1
1 151 . 8 1 1 A 15 15 GLU CB C 103 29.753 30.463 -0.710 1
1 153 . 8 1 1 A 15 15 GLU N N 103 116.301 118.260 -1.959 1
1 154 . 8 1 1 A 16 16 GLY H H 104 7.824 7.770 0.054 1
1 155 . 8 1 1 A 16 16 GLY HA2 H 104 3.724 3.659 0.065 1
1 156 . 8 1 1 A 16 16 GLY HA3 H 104 3.855 3.669 0.186 1
1 157 . 8 1 1 A 16 16 GLY CA C 104 47.201 45.153 2.048 1
1 158 . 8 1 1 A 16 16 GLY N N 104 109.341 108.635 0.706 1
1 159 . 8 1 1 A 17 17 ASN H H 105 9.620 8.009 1.611 1
1 160 . 8 1 1 A 17 17 ASN HA H 105 4.562 4.333 0.229 1
1 165 . 8 1 1 A 17 17 ASN CA C 105 54.588 54.203 0.385 1
1 166 . 8 1 1 A 17 17 ASN CB C 105 39.374 36.763 2.611 1
1 167 . 8 1 1 A 17 17 ASN N N 105 120.357 114.185 6.172 1
1 169 . 8 1 1 A 18 18 GLY H H 106 10.621 8.156 2.465 1
1 170 . 8 1 1 A 18 18 GLY HA2 H 106 3.650 4.028 -0.378 1
1 171 . 8 1 1 A 18 18 GLY HA3 H 106 4.265 4.049 0.216 1
1 172 . 8 1 1 A 18 18 GLY CA C 106 45.733 45.036 0.697 1
1 173 . 8 1 1 A 18 18 GLY N N 106 111.026 104.854 6.172 1
1 174 . 8 1 1 A 19 19 TYR H H 107 7.300 6.909 0.391 1
1 175 . 8 1 1 A 19 19 TYR HA H 107 5.472 5.756 -0.284 1
1 182 . 8 1 1 A 19 19 TYR CA C 107 56.346 55.649 0.697 1
1 183 . 8 1 1 A 19 19 TYR CB C 107 40.841 41.220 -0.379 1
1 186 . 8 1 1 A 19 19 TYR N N 107 115.597 116.844 -1.247 1
1 187 . 8 1 1 A 20 20 ILE H H 108 8.866 8.995 -0.129 1
1 188 . 8 1 1 A 20 20 ILE HA H 108 4.778 4.749 0.029 1
1 198 . 8 1 1 A 20 20 ILE CA C 108 59.275 59.306 -0.031 1
1 199 . 8 1 1 A 20 20 ILE CB C 108 42.635 40.417 2.218 1
1 203 . 8 1 1 A 20 20 ILE N N 108 113.436 120.181 -6.745 1
1 204 . 8 1 1 A 21 21 SER H H 109 8.620 8.727 -0.107 1
1 205 . 8 1 1 A 21 21 SER HA H 109 5.058 5.129 -0.071 1
1 208 . 8 1 1 A 21 21 SER CA C 109 57.756 58.735 -0.979 1
1 209 . 8 1 1 A 21 21 SER CB C 109 63.883 63.580 0.303 1
1 210 . 8 1 1 A 21 21 SER N N 109 117.553 119.203 -1.650 1
1 211 . 8 1 1 A 22 22 THR H H 110 8.354 8.908 -0.554 1
1 212 . 8 1 1 A 22 22 THR HA H 110 3.801 4.010 -0.209 1
1 217 . 8 1 1 A 22 22 THR CA C 110 65.633 65.264 0.369 1
1 218 . 8 1 1 A 22 22 THR CB C 110 67.909 68.357 -0.448 1
1 220 . 8 1 1 A 22 22 THR N N 110 114.232 121.814 -7.582 1
1 221 . 8 1 1 A 23 23 ASP H H 111 8.177 7.855 0.322 1
1 222 . 8 1 1 A 23 23 ASP HA H 111 4.392 4.328 0.064 1
1 225 . 8 1 1 A 23 23 ASP CA C 111 57.779 57.299 0.480 1
1 226 . 8 1 1 A 23 23 ASP CB C 111 40.352 41.187 -0.835 1
1 227 . 8 1 1 A 23 23 ASP N N 111 120.992 122.059 -1.067 1
1 228 . 8 1 1 A 24 24 VAL H H 112 7.504 8.089 -0.585 1
1 229 . 8 1 1 A 24 24 VAL HA H 112 3.744 3.567 0.177 1
1 237 . 8 1 1 A 24 24 VAL CA C 112 65.719 66.699 -0.980 1
1 238 . 8 1 1 A 24 24 VAL CB C 112 31.741 31.291 0.450 1
1 241 . 8 1 1 A 24 24 VAL N N 112 122.123 119.541 2.582 1
1 242 . 8 1 1 A 25 25 MET H H 113 7.984 7.604 0.380 1
1 243 . 8 1 1 A 25 25 MET HA H 113 4.069 4.153 -0.084 1
1 251 . 8 1 1 A 25 25 MET CA C 113 58.552 57.985 0.567 1
1 252 . 8 1 1 A 25 25 MET CB C 113 33.504 32.348 1.156 1
1 255 . 8 1 1 A 25 25 MET N N 113 119.521 120.022 -0.501 1
1 256 . 8 1 1 A 26 26 ARG H H 114 8.190 7.596 0.594 1
1 257 . 8 1 1 A 26 26 ARG HA H 114 3.745 4.010 -0.265 1
1 265 . 8 1 1 A 26 26 ARG CA C 114 60.747 59.501 1.246 1
1 266 . 8 1 1 A 26 26 ARG CB C 114 29.398 29.965 -0.567 1
1 269 . 8 1 1 A 26 26 ARG N N 114 117.832 119.149 -1.317 1
1 270 . 8 1 1 A 27 27 GLU H H 115 7.265 7.947 -0.682 1
1 271 . 8 1 1 A 27 27 GLU HA H 115 4.010 4.118 -0.108 1
1 276 . 8 1 1 A 27 27 GLU CA C 115 59.435 59.453 -0.018 1
1 277 . 8 1 1 A 27 27 GLU N N 115 117.949 118.738 -0.789 1
1 278 . 8 1 1 A 28 28 ILE H H 116 8.074 7.568 0.506 1
1 279 . 8 1 1 A 28 28 ILE HA H 116 3.622 3.644 -0.022 1
1 289 . 8 1 1 A 28 28 ILE CA C 116 65.633 65.428 0.205 1
1 290 . 8 1 1 A 28 28 ILE CB C 116 38.771 37.411 1.360 1
1 294 . 8 1 1 A 28 28 ILE N N 116 120.582 120.837 -0.255 1
1 295 . 8 1 1 A 29 29 LEU H H 117 8.183 8.036 0.147 1
1 296 . 8 1 1 A 29 29 LEU HA H 117 3.901 3.968 -0.067 1
1 306 . 8 1 1 A 29 29 LEU CA C 117 58.103 57.925 0.178 1
1 307 . 8 1 1 A 29 29 LEU CB C 117 42.286 41.262 1.024 1
1 311 . 8 1 1 A 29 29 LEU N N 117 118.919 119.740 -0.821 1
1 312 . 8 1 1 A 30 30 ALA H H 118 7.920 7.507 0.413 1
1 313 . 8 1 1 A 30 30 ALA HA H 118 4.131 4.118 0.013 1
1 317 . 8 1 1 A 30 30 ALA CA C 118 54.588 55.048 -0.460 1
1 318 . 8 1 1 A 30 30 ALA CB C 118 18.992 18.010 0.982 1
1 319 . 8 1 1 A 30 30 ALA N N 118 119.224 121.905 -2.681 1
1 320 . 8 1 1 A 31 31 GLU H H 119 7.553 8.096 -0.543 1
1 321 . 8 1 1 A 31 31 GLU HA H 119 4.103 4.097 0.006 1
1 326 . 8 1 1 A 31 31 GLU CA C 119 58.126 58.439 -0.313 1
1 327 . 8 1 1 A 31 31 GLU CB C 119 30.080 29.573 0.507 1
1 328 . 8 1 1 A 31 31 GLU N N 119 116.043 118.055 -2.012 1
1 329 . 8 1 1 A 32 32 LEU H H 120 7.774 7.864 -0.090 1
1 330 . 8 1 1 A 32 32 LEU HA H 120 4.195 4.210 -0.015 1
1 340 . 8 1 1 A 32 32 LEU CA C 120 56.946 57.477 -0.531 1
1 341 . 8 1 1 A 32 32 LEU CB C 120 42.961 42.483 0.478 1
1 345 . 8 1 1 A 32 32 LEU N N 120 119.210 121.081 -1.871 1
1 346 . 8 1 1 A 33 33 ASP H H 121 7.796 8.591 -0.795 1
1 347 . 8 1 1 A 33 33 ASP HA H 121 4.735 4.948 -0.213 1
1 350 . 8 1 1 A 33 33 ASP CA C 121 53.409 53.345 0.064 1
1 351 . 8 1 1 A 33 33 ASP CB C 121 41.168 43.282 -2.114 1
1 352 . 8 1 1 A 33 33 ASP N N 121 117.407 118.957 -1.550 1
1 353 . 8 1 1 A 34 34 GLU H H 122 8.884 8.493 0.391 1
1 354 . 8 1 1 A 34 34 GLU HA H 122 4.463 4.535 -0.072 1
1 359 . 8 1 1 A 34 34 GLU CA C 122 57.967 56.352 1.615 1
1 360 . 8 1 1 A 34 34 GLU CB C 122 29.753 30.734 -0.981 1
1 362 . 8 1 1 A 34 34 GLU N N 122 123.975 122.906 1.069 1
1 363 . 8 1 1 A 35 35 THR H H 123 8.608 8.178 0.430 1
1 364 . 8 1 1 A 35 35 THR HA H 123 4.347 4.449 -0.102 1
1 369 . 8 1 1 A 35 35 THR CA C 123 62.804 62.455 0.349 1
1 370 . 8 1 1 A 35 35 THR CB C 123 69.406 69.705 -0.299 1
1 372 . 8 1 1 A 35 35 THR N N 123 111.220 113.675 -2.455 1
1 373 . 8 1 1 A 36 36 LEU H H 124 7.104 7.270 -0.166 1
1 374 . 8 1 1 A 36 36 LEU HA H 124 4.461 4.155 0.306 1
1 384 . 8 1 1 A 36 36 LEU CA C 124 55.174 55.167 0.007 1
1 385 . 8 1 1 A 36 36 LEU CB C 124 42.635 41.728 0.907 1
1 389 . 8 1 1 A 36 36 LEU N N 124 122.774 124.898 -2.124 1
1 390 . 8 1 1 A 37 37 SER H H 125 9.468 8.921 0.547 1
1 391 . 8 1 1 A 37 37 SER HA H 125 4.594 4.611 -0.017 1
1 394 . 8 1 1 A 37 37 SER CA C 125 56.932 58.530 -1.598 1
1 395 . 8 1 1 A 37 37 SER CB C 125 66.119 63.843 2.276 1
1 396 . 8 1 1 A 37 37 SER N N 125 121.762 120.431 1.331 1
1 397 . 8 1 1 A 38 38 SER H H 126 8.970 8.996 -0.026 1
1 398 . 8 1 1 A 38 38 SER HA H 126 3.925 4.233 -0.308 1
1 401 . 8 1 1 A 38 38 SER CA C 126 63.004 61.383 1.621 1
1 402 . 8 1 1 A 38 38 SER CB C 126 62.364 63.478 -1.114 1
1 403 . 8 1 1 A 38 38 SER N N 126 116.391 120.231 -3.840 1
1 404 . 8 1 1 A 39 39 GLU H H 127 8.468 7.994 0.474 1
1 405 . 8 1 1 A 39 39 GLU HA H 127 4.125 4.072 0.053 1
1 410 . 8 1 1 A 39 39 GLU CA C 127 60.082 59.034 1.048 1
1 411 . 8 1 1 A 39 39 GLU CB C 127 29.427 29.337 0.090 1
1 413 . 8 1 1 A 39 39 GLU N N 127 119.790 122.121 -2.331 1
1 414 . 8 1 1 A 40 40 ASP H H 128 7.981 8.195 -0.214 1
1 415 . 8 1 1 A 40 40 ASP HA H 128 4.414 4.431 -0.017 1
1 418 . 8 1 1 A 40 40 ASP CA C 128 57.473 57.325 0.148 1
1 419 . 8 1 1 A 40 40 ASP CB C 128 41.331 40.469 0.862 1
1 420 . 8 1 1 A 40 40 ASP N N 128 122.463 120.356 2.107 1
1 421 . 8 1 1 A 41 41 LEU H H 129 8.289 7.907 0.382 1
1 422 . 8 1 1 A 41 41 LEU HA H 129 4.019 3.967 0.052 1
1 432 . 8 1 1 A 41 41 LEU CA C 129 58.603 58.001 0.602 1
1 433 . 8 1 1 A 41 41 LEU CB C 129 42.146 41.464 0.682 1
1 437 . 8 1 1 A 41 41 LEU N N 129 121.708 121.216 0.492 1
1 438 . 8 1 1 A 42 42 ASP H H 130 8.353 7.714 0.639 1
1 439 . 8 1 1 A 42 42 ASP HA H 130 4.225 4.355 -0.130 1
1 442 . 8 1 1 A 42 42 ASP CA C 130 57.797 57.125 0.672 1
1 443 . 8 1 1 A 42 42 ASP CB C 130 40.352 41.076 -0.724 1
1 444 . 8 1 1 A 42 42 ASP N N 130 119.133 120.021 -0.888 1
1 445 . 8 1 1 A 43 43 ALA H H 131 7.675 8.417 -0.742 1
1 446 . 8 1 1 A 43 43 ALA HA H 131 4.196 4.044 0.152 1
1 450 . 8 1 1 A 43 43 ALA CA C 131 55.002 55.420 -0.418 1
1 451 . 8 1 1 A 43 43 ALA CB C 131 18.267 18.392 -0.125 1
1 452 . 8 1 1 A 43 43 ALA N N 131 121.142 121.415 -0.273 1
1 453 . 8 1 1 A 44 44 MET H H 132 8.039 8.609 -0.570 1
1 454 . 8 1 1 A 44 44 MET HA H 132 4.153 4.155 -0.002 1
1 462 . 8 1 1 A 44 44 MET CA C 132 59.435 58.499 0.936 1
1 463 . 8 1 1 A 44 44 MET CB C 132 33.830 32.766 1.064 1
1 466 . 8 1 1 A 44 44 MET N N 132 118.616 116.070 2.546 1
1 467 . 8 1 1 A 45 45 ILE H H 133 8.322 8.216 0.106 1
1 468 . 8 1 1 A 45 45 ILE HA H 133 3.718 3.686 0.032 1
1 478 . 8 1 1 A 45 45 ILE CA C 133 62.804 65.440 -2.636 1
1 479 . 8 1 1 A 45 45 ILE CB C 133 35.787 37.402 -1.615 1
1 483 . 8 1 1 A 45 45 ILE N N 133 119.464 119.358 0.106 1
1 484 . 8 1 1 A 46 46 ASP H H 134 7.995 8.270 -0.275 1
1 485 . 8 1 1 A 46 46 ASP HA H 134 4.340 4.352 -0.012 1
1 488 . 8 1 1 A 46 46 ASP CA C 134 57.317 57.333 -0.016 1
1 489 . 8 1 1 A 46 46 ASP CB C 134 41.005 40.927 0.078 1
1 490 . 8 1 1 A 47 47 GLU H H 135 7.371 7.815 -0.444 1
1 491 . 8 1 1 A 47 47 GLU HA H 135 4.106 4.159 -0.053 1
1 496 . 8 1 1 A 47 47 GLU CA C 135 58.543 59.169 -0.626 1
1 497 . 8 1 1 A 47 47 GLU CB C 135 29.916 30.047 -0.131 1
1 499 . 8 1 1 A 47 47 GLU N N 135 116.443 118.195 -1.752 1
1 500 . 8 1 1 A 48 48 ILE H H 136 8.523 8.067 0.456 1
1 501 . 8 1 1 A 48 48 ILE HA H 136 4.000 3.714 0.286 1
1 511 . 8 1 1 A 48 48 ILE CA C 136 63.676 65.177 -1.501 1
1 512 . 8 1 1 A 48 48 ILE CB C 136 39.357 37.578 1.779 1
1 516 . 8 1 1 A 48 48 ILE N N 136 121.250 121.170 0.080 1
1 517 . 8 1 1 A 49 49 ASP H H 137 7.840 8.383 -0.543 1
1 518 . 8 1 1 A 49 49 ASP HA H 137 5.106 4.498 0.608 1
1 521 . 8 1 1 A 49 49 ASP CA C 137 52.581 55.910 -3.329 1
1 522 . 8 1 1 A 49 49 ASP CB C 137 40.189 40.208 -0.019 1
1 523 . 8 1 1 A 49 49 ASP N N 137 117.820 122.152 -4.332 1
1 524 . 8 1 1 A 50 50 ALA H H 138 7.846 8.303 -0.457 1
1 525 . 8 1 1 A 50 50 ALA HA H 138 4.181 4.565 -0.384 1
1 529 . 8 1 1 A 50 50 ALA CA C 138 55.346 53.477 1.869 1
1 530 . 8 1 1 A 50 50 ALA CB C 138 19.318 20.446 -1.128 1
1 531 . 8 1 1 A 50 50 ALA N N 138 125.638 125.994 -0.356 1
1 532 . 8 1 1 A 51 51 ASP H H 139 8.485 8.048 0.437 1
1 533 . 8 1 1 A 51 51 ASP HA H 139 4.653 4.927 -0.274 1
1 536 . 8 1 1 A 51 51 ASP CB C 139 40.841 42.671 -1.830 1
1 537 . 8 1 1 A 51 51 ASP N N 139 113.885 115.506 -1.621 1
1 538 . 8 1 1 A 52 52 GLY H H 140 7.900 8.366 -0.466 1
1 539 . 8 1 1 A 52 52 GLY HA2 H 140 3.845 3.909 -0.064 1
1 540 . 8 1 1 A 52 52 GLY HA3 H 140 3.845 3.921 -0.076 1
1 541 . 8 1 1 A 52 52 GLY CA C 140 47.527 46.116 1.411 1
1 542 . 8 1 1 A 52 52 GLY N N 140 113.060 107.048 6.012 1
1 543 . 8 1 1 A 53 53 SER H H 141 9.150 8.250 0.900 1
1 544 . 8 1 1 A 53 53 SER HA H 141 4.227 4.159 0.068 1
1 547 . 8 1 1 A 53 53 SER CA C 141 60.461 59.037 1.424 1
1 548 . 8 1 1 A 53 53 SER CB C 141 64.645 60.921 3.724 1
1 549 . 8 1 1 A 53 53 SER N N 141 117.771 112.388 5.383 1
1 550 . 8 1 1 A 54 54 GLY H H 142 10.554 8.210 2.344 1
1 551 . 8 1 1 A 54 54 GLY HA2 H 142 3.781 4.081 -0.300 1
1 552 . 8 1 1 A 54 54 GLY HA3 H 142 4.210 4.083 0.127 1
1 553 . 8 1 1 A 54 54 GLY CA C 142 46.222 45.160 1.062 1
1 554 . 8 1 1 A 54 54 GLY N N 142 115.432 109.386 6.046 1
1 555 . 8 1 1 A 55 55 THR H H 143 7.940 7.597 0.343 1
1 556 . 8 1 1 A 55 55 THR HA H 143 5.081 4.881 0.200 1
1 561 . 8 1 1 A 55 55 THR CA C 143 59.861 59.990 -0.129 1
1 562 . 8 1 1 A 55 55 THR CB C 143 72.835 69.225 3.610 1
1 564 . 8 1 1 A 55 55 THR N N 143 110.471 109.361 1.110 1
1 565 . 8 1 1 A 56 56 VAL H H 144 9.090 9.248 -0.158 1
1 566 . 8 1 1 A 56 56 VAL HA H 144 4.553 4.066 0.487 1
1 574 . 8 1 1 A 56 56 VAL CA C 144 61.032 63.139 -2.107 1
1 575 . 8 1 1 A 56 56 VAL CB C 144 35.256 31.315 3.941 1
1 578 . 8 1 1 A 56 56 VAL N N 144 119.565 128.048 -8.483 1
1 579 . 8 1 1 A 57 57 ASP H H 145 8.870 8.696 0.174 1
1 580 . 8 1 1 A 57 57 ASP HA H 145 5.088 4.742 0.346 1
1 583 . 8 1 1 A 57 57 ASP CA C 145 53.231 52.875 0.356 1
1 584 . 8 1 1 A 57 57 ASP CB C 145 42.146 42.613 -0.467 1
1 585 . 8 1 1 A 57 57 ASP N N 145 126.198 128.352 -2.154 1
1 586 . 8 1 1 A 58 58 PHE H H 146 8.223 8.574 -0.351 1
1 587 . 8 1 1 A 58 58 PHE HA H 146 3.538 4.077 -0.539 1
1 595 . 8 1 1 A 58 58 PHE CA C 146 61.718 61.400 0.318 1
1 596 . 8 1 1 A 58 58 PHE CB C 146 39.211 38.493 0.718 1
1 600 . 8 1 1 A 59 59 GLU H H 147 8.347 8.734 -0.387 1
1 601 . 8 1 1 A 59 59 GLU HA H 147 3.746 4.050 -0.304 1
1 606 . 8 1 1 A 59 59 GLU CA C 147 60.061 59.292 0.769 1
1 607 . 8 1 1 A 59 59 GLU CB C 147 29.101 28.544 0.557 1
1 609 . 8 1 1 A 59 59 GLU N N 147 118.710 117.302 1.408 1
1 610 . 8 1 1 A 60 60 GLU H H 148 8.380 7.637 0.743 1
1 611 . 8 1 1 A 60 60 GLU HA H 148 4.037 4.204 -0.167 1
1 616 . 8 1 1 A 60 60 GLU CA C 148 59.920 58.723 1.197 1
1 617 . 8 1 1 A 60 60 GLU CB C 148 30.080 30.326 -0.246 1
1 618 . 8 1 1 A 60 60 GLU N N 148 121.774 120.375 1.399 1
1 619 . 8 1 1 A 61 61 PHE H H 149 8.421 8.341 0.080 1
1 620 . 8 1 1 A 61 61 PHE HA H 149 4.083 4.076 0.007 1
1 628 . 8 1 1 A 61 61 PHE CA C 149 61.232 60.975 0.257 1
1 629 . 8 1 1 A 61 61 PHE CB C 149 39.863 39.188 0.675 1
1 633 . 8 1 1 A 61 61 PHE N N 149 121.039 121.108 -0.069 1
1 634 . 8 1 1 A 62 62 MET H H 150 8.446 8.803 -0.357 1
1 635 . 8 1 1 A 62 62 MET HA H 150 3.857 4.340 -0.483 1
1 643 . 8 1 1 A 62 62 MET CA C 150 57.310 57.256 0.054 1
1 644 . 8 1 1 A 62 62 MET CB C 150 31.221 31.904 -0.683 1
1 647 . 8 1 1 A 62 62 MET N N 150 117.673 116.974 0.699 1
1 648 . 8 1 1 A 63 63 GLY H H 151 7.889 8.158 -0.269 1
1 649 . 8 1 1 A 63 63 GLY HA2 H 151 3.774 3.707 0.067 1
1 650 . 8 1 1 A 63 63 GLY HA3 H 151 3.871 3.716 0.155 1
1 651 . 8 1 1 A 63 63 GLY CA C 151 47.038 46.818 0.220 1
1 652 . 8 1 1 A 63 63 GLY N N 151 107.497 108.397 -0.900 1
1 653 . 8 1 1 A 64 64 VAL H H 152 7.571 7.674 -0.103 1
1 654 . 8 1 1 A 64 64 VAL HA H 152 3.937 3.993 -0.056 1
1 662 . 8 1 1 A 64 64 VAL CA C 152 64.547 64.858 -0.311 1
1 663 . 8 1 1 A 64 64 VAL CB C 152 32.362 31.386 0.976 1
1 666 . 8 1 1 A 64 64 VAL N N 152 119.340 119.514 -0.174 1
1 667 . 8 1 1 A 65 65 MET H H 153 7.773 7.317 0.456 1
1 668 . 8 1 1 A 65 65 MET HA H 153 4.367 4.549 -0.182 1
1 676 . 8 1 1 A 65 65 MET CA C 153 55.874 54.185 1.689 1
1 677 . 8 1 1 A 65 65 MET CB C 153 32.525 34.744 -2.219 1
1 680 . 8 1 1 A 65 65 MET N N 153 117.775 120.842 -3.067 1
1 681 . 8 1 1 A 66 66 THR H H 154 7.789 8.583 -0.794 1
1 682 . 8 1 1 A 66 66 THR HA H 154 4.403 4.308 0.095 1
1 687 . 8 1 1 A 66 66 THR CA C 154 62.204 63.473 -1.269 1
1 688 . 8 1 1 A 66 66 THR CB C 154 70.577 67.378 3.199 1
1 690 . 8 1 1 A 66 66 THR N N 154 110.197 116.238 -6.041 1
1 691 . 8 1 1 A 67 67 GLY H H 155 7.961 9.093 -1.132 1
1 692 . 8 1 1 A 67 67 GLY HA2 H 155 4.017 3.835 0.182 1
1 693 . 8 1 1 A 67 67 GLY HA3 H 155 4.017 3.836 0.181 1
1 694 . 8 1 1 A 67 67 GLY CA C 155 45.896 47.016 -1.120 1
1 695 . 8 1 1 A 67 67 GLY N N 155 110.658 110.013 0.645 1
1 696 . 8 1 1 A 68 68 GLY H H 156 8.313 8.394 -0.081 1
1 697 . 8 1 1 A 68 68 GLY HA2 H 156 3.990 4.042 -0.052 1
1 698 . 8 1 1 A 68 68 GLY HA3 H 156 3.990 4.043 -0.053 1
1 699 . 8 1 1 A 68 68 GLY CA C 156 45.407 44.983 0.424 1
1 700 . 8 1 1 A 68 68 GLY N N 156 108.792 106.864 1.928 1
1 701 . 8 1 1 A 69 69 ASP H H 157 8.290 7.947 0.343 1
1 702 . 8 1 1 A 69 69 ASP HA H 157 4.666 4.829 -0.163 1
1 705 . 8 1 1 A 69 69 ASP CA C 157 54.588 53.437 1.151 1
1 706 . 8 1 1 A 69 69 ASP CB C 157 41.700 41.928 -0.228 1
1 707 . 8 1 1 A 69 69 ASP N N 157 120.766 120.727 0.039 1
1 3 . 9 1 1 A 2 2 GLN H H 90 8.276 8.354 -0.078 1
1 6 . 9 1 1 A 2 2 GLN N N 90 118.747 122.055 -3.308 1
1 8 . 9 1 1 A 3 3 GLN H H 91 8.199 8.203 -0.004 1
1 11 . 9 1 1 A 3 3 GLN N N 91 120.090 114.977 5.113 1
1 13 . 9 1 1 A 4 4 GLU H H 92 8.454 7.684 0.770 1
1 14 . 9 1 1 A 4 4 GLU N N 92 120.250 121.850 -1.600 1
1 15 . 9 1 1 A 5 5 LEU H H 93 8.410 8.879 -0.469 1
1 16 . 9 1 1 A 5 5 LEU HA H 93 4.255 3.941 0.314 1
1 26 . 9 1 1 A 5 5 LEU CA C 93 58.103 58.181 -0.078 1
1 27 . 9 1 1 A 5 5 LEU CB C 93 42.309 41.473 0.836 1
1 31 . 9 1 1 A 5 5 LEU N N 93 121.261 126.044 -4.783 1
1 32 . 9 1 1 A 6 6 ARG H H 94 8.345 8.504 -0.159 1
1 33 . 9 1 1 A 6 6 ARG HA H 94 4.061 4.502 -0.441 1
1 41 . 9 1 1 A 6 6 ARG CA C 94 60.241 58.124 2.117 1
1 42 . 9 1 1 A 6 6 ARG CB C 94 30.080 28.988 1.092 1
1 45 . 9 1 1 A 6 6 ARG N N 94 119.790 118.604 1.186 1
1 46 . 9 1 1 A 7 7 GLU H H 95 8.010 9.535 -1.525 1
1 47 . 9 1 1 A 7 7 GLU HA H 95 4.122 4.179 -0.057 1
1 52 . 9 1 1 A 7 7 GLU CA C 95 59.861 59.356 0.505 1
1 53 . 9 1 1 A 7 7 GLU CB C 95 28.812 29.550 -0.738 1
1 54 . 9 1 1 A 7 7 GLU N N 95 118.474 120.889 -2.415 1
1 55 . 9 1 1 A 8 8 ALA H H 96 8.052 7.532 0.520 1
1 56 . 9 1 1 A 8 8 ALA HA H 96 4.199 4.399 -0.200 1
1 60 . 9 1 1 A 8 8 ALA CA C 96 55.174 55.126 0.048 1
1 61 . 9 1 1 A 8 8 ALA CB C 96 18.502 18.417 0.085 1
1 62 . 9 1 1 A 8 8 ALA N N 96 122.505 122.334 0.171 1
1 63 . 9 1 1 A 9 9 PHE H H 97 8.432 8.107 0.325 1
1 64 . 9 1 1 A 9 9 PHE HA H 97 3.803 3.990 -0.187 1
1 72 . 9 1 1 A 9 9 PHE CA C 97 61.732 61.163 0.569 1
1 73 . 9 1 1 A 9 9 PHE CB C 97 39.537 39.147 0.390 1
1 77 . 9 1 1 A 9 9 PHE N N 97 117.510 120.095 -2.585 1
1 78 . 9 1 1 A 10 10 ARG H H 98 7.840 8.030 -0.190 1
1 79 . 9 1 1 A 10 10 ARG HA H 98 3.955 4.210 -0.255 1
1 86 . 9 1 1 A 10 10 ARG CA C 98 59.109 58.345 0.764 1
1 87 . 9 1 1 A 10 10 ARG CB C 98 30.243 29.954 0.289 1
1 90 . 9 1 1 A 10 10 ARG N N 98 116.256 118.551 -2.295 1
1 91 . 9 1 1 A 11 11 LEU H H 99 7.578 8.031 -0.453 1
1 92 . 9 1 1 A 11 11 LEU HA H 99 3.958 4.050 -0.092 1
1 102 . 9 1 1 A 11 11 LEU CA C 99 57.310 57.786 -0.476 1
1 103 . 9 1 1 A 11 11 LEU CB C 99 41.820 42.054 -0.234 1
1 107 . 9 1 1 A 11 11 LEU N N 99 118.446 120.956 -2.510 1
1 108 . 9 1 1 A 12 12 TYR H H 100 7.523 7.969 -0.446 1
1 109 . 9 1 1 A 12 12 TYR HA H 100 4.369 4.376 -0.007 1
1 116 . 9 1 1 A 12 12 TYR CA C 100 59.861 59.994 -0.133 1
1 117 . 9 1 1 A 12 12 TYR CB C 100 39.700 39.609 0.091 1
1 120 . 9 1 1 A 12 12 TYR N N 100 116.280 115.974 0.306 1
1 121 . 9 1 1 A 13 13 ASP H H 101 7.945 7.777 0.168 1
1 122 . 9 1 1 A 13 13 ASP HA H 101 4.787 4.512 0.275 1
1 125 . 9 1 1 A 13 13 ASP CA C 101 52.245 53.983 -1.738 1
1 126 . 9 1 1 A 13 13 ASP CB C 101 39.537 40.637 -1.100 1
1 127 . 9 1 1 A 13 13 ASP N N 101 121.756 117.898 3.858 1
1 128 . 9 1 1 A 14 14 LYS H H 102 7.858 8.563 -0.705 1
1 129 . 9 1 1 A 14 14 LYS HA H 102 4.033 4.184 -0.151 1
1 138 . 9 1 1 A 14 14 LYS CA C 102 59.269 57.931 1.338 1
1 139 . 9 1 1 A 14 14 LYS CB C 102 32.688 32.543 0.145 1
1 143 . 9 1 1 A 14 14 LYS N N 102 123.213 125.942 -2.729 1
1 144 . 9 1 1 A 15 15 GLU H H 103 8.640 7.523 1.117 1
1 145 . 9 1 1 A 15 15 GLU HA H 103 4.218 4.461 -0.243 1
1 150 . 9 1 1 A 15 15 GLU CA C 103 56.981 57.182 -0.201 1
1 151 . 9 1 1 A 15 15 GLU CB C 103 29.753 31.794 -2.041 1
1 153 . 9 1 1 A 15 15 GLU N N 103 116.301 116.672 -0.371 1
1 154 . 9 1 1 A 16 16 GLY H H 104 7.824 8.815 -0.991 1
1 155 . 9 1 1 A 16 16 GLY HA2 H 104 3.724 3.346 0.378 1
1 156 . 9 1 1 A 16 16 GLY HA3 H 104 3.855 3.430 0.425 1
1 157 . 9 1 1 A 16 16 GLY CA C 104 47.201 47.067 0.134 1
1 158 . 9 1 1 A 16 16 GLY N N 104 109.341 109.779 -0.438 1
1 159 . 9 1 1 A 17 17 ASN H H 105 9.620 9.145 0.475 1
1 160 . 9 1 1 A 17 17 ASN HA H 105 4.562 4.420 0.142 1
1 165 . 9 1 1 A 17 17 ASN CA C 105 54.588 54.377 0.211 1
1 166 . 9 1 1 A 17 17 ASN CB C 105 39.374 37.475 1.899 1
1 167 . 9 1 1 A 17 17 ASN N N 105 120.357 113.869 6.488 1
1 169 . 9 1 1 A 18 18 GLY H H 106 10.621 8.593 2.028 1
1 170 . 9 1 1 A 18 18 GLY HA2 H 106 3.650 4.117 -0.467 1
1 171 . 9 1 1 A 18 18 GLY HA3 H 106 4.265 4.120 0.145 1
1 172 . 9 1 1 A 18 18 GLY CA C 106 45.733 45.482 0.251 1
1 173 . 9 1 1 A 18 18 GLY N N 106 111.026 104.586 6.440 1
1 174 . 9 1 1 A 19 19 TYR H H 107 7.300 7.177 0.123 1
1 175 . 9 1 1 A 19 19 TYR HA H 107 5.472 5.868 -0.396 1
1 182 . 9 1 1 A 19 19 TYR CA C 107 56.346 56.377 -0.031 1
1 183 . 9 1 1 A 19 19 TYR CB C 107 40.841 41.388 -0.547 1
1 186 . 9 1 1 A 19 19 TYR N N 107 115.597 115.316 0.281 1
1 187 . 9 1 1 A 20 20 ILE H H 108 8.866 9.234 -0.368 1
1 188 . 9 1 1 A 20 20 ILE HA H 108 4.778 4.719 0.059 1
1 198 . 9 1 1 A 20 20 ILE CA C 108 59.275 59.185 0.090 1
1 199 . 9 1 1 A 20 20 ILE CB C 108 42.635 40.747 1.888 1
1 203 . 9 1 1 A 20 20 ILE N N 108 113.436 119.458 -6.022 1
1 204 . 9 1 1 A 21 21 SER H H 109 8.620 8.551 0.069 1
1 205 . 9 1 1 A 21 21 SER HA H 109 5.058 4.758 0.300 1
1 208 . 9 1 1 A 21 21 SER CA C 109 57.756 58.692 -0.936 1
1 209 . 9 1 1 A 21 21 SER CB C 109 63.883 63.711 0.172 1
1 210 . 9 1 1 A 21 21 SER N N 109 117.553 119.024 -1.471 1
1 211 . 9 1 1 A 22 22 THR H H 110 8.354 8.862 -0.508 1
1 212 . 9 1 1 A 22 22 THR HA H 110 3.801 3.927 -0.126 1
1 217 . 9 1 1 A 22 22 THR CA C 110 65.633 65.989 -0.356 1
1 218 . 9 1 1 A 22 22 THR CB C 110 67.909 68.200 -0.291 1
1 220 . 9 1 1 A 22 22 THR N N 110 114.232 121.520 -7.288 1
1 221 . 9 1 1 A 23 23 ASP H H 111 8.177 7.779 0.398 1
1 222 . 9 1 1 A 23 23 ASP HA H 111 4.392 4.348 0.044 1
1 225 . 9 1 1 A 23 23 ASP CA C 111 57.779 57.343 0.436 1
1 226 . 9 1 1 A 23 23 ASP CB C 111 40.352 40.839 -0.487 1
1 227 . 9 1 1 A 23 23 ASP N N 111 120.992 122.204 -1.212 1
1 228 . 9 1 1 A 24 24 VAL H H 112 7.504 7.963 -0.459 1
1 229 . 9 1 1 A 24 24 VAL HA H 112 3.744 3.770 -0.026 1
1 237 . 9 1 1 A 24 24 VAL CA C 112 65.719 66.569 -0.850 1
1 238 . 9 1 1 A 24 24 VAL CB C 112 31.741 31.267 0.474 1
1 241 . 9 1 1 A 24 24 VAL N N 112 122.123 119.711 2.412 1
1 242 . 9 1 1 A 25 25 MET H H 113 7.984 7.800 0.184 1
1 243 . 9 1 1 A 25 25 MET HA H 113 4.069 4.111 -0.042 1
1 251 . 9 1 1 A 25 25 MET CA C 113 58.552 58.218 0.334 1
1 252 . 9 1 1 A 25 25 MET CB C 113 33.504 32.053 1.451 1
1 255 . 9 1 1 A 25 25 MET N N 113 119.521 120.210 -0.689 1
1 256 . 9 1 1 A 26 26 ARG H H 114 8.190 7.778 0.412 1
1 257 . 9 1 1 A 26 26 ARG HA H 114 3.745 3.990 -0.245 1
1 265 . 9 1 1 A 26 26 ARG CA C 114 60.747 59.387 1.360 1
1 266 . 9 1 1 A 26 26 ARG CB C 114 29.398 29.740 -0.342 1
1 269 . 9 1 1 A 26 26 ARG N N 114 117.832 119.326 -1.494 1
1 270 . 9 1 1 A 27 27 GLU H H 115 7.265 7.620 -0.355 1
1 271 . 9 1 1 A 27 27 GLU HA H 115 4.010 4.055 -0.045 1
1 276 . 9 1 1 A 27 27 GLU CA C 115 59.435 59.005 0.430 1
1 277 . 9 1 1 A 27 27 GLU N N 115 117.949 119.642 -1.693 1
1 278 . 9 1 1 A 28 28 ILE H H 116 8.074 7.706 0.368 1
1 279 . 9 1 1 A 28 28 ILE HA H 116 3.622 3.435 0.187 1
1 289 . 9 1 1 A 28 28 ILE CA C 116 65.633 65.599 0.034 1
1 290 . 9 1 1 A 28 28 ILE CB C 116 38.771 37.553 1.218 1
1 294 . 9 1 1 A 28 28 ILE N N 116 120.582 120.624 -0.042 1
1 295 . 9 1 1 A 29 29 LEU H H 117 8.183 8.284 -0.101 1
1 296 . 9 1 1 A 29 29 LEU HA H 117 3.901 3.984 -0.083 1
1 306 . 9 1 1 A 29 29 LEU CA C 117 58.103 57.867 0.236 1
1 307 . 9 1 1 A 29 29 LEU CB C 117 42.286 40.708 1.578 1
1 311 . 9 1 1 A 29 29 LEU N N 117 118.919 118.911 0.008 1
1 312 . 9 1 1 A 30 30 ALA H H 118 7.920 8.011 -0.091 1
1 313 . 9 1 1 A 30 30 ALA HA H 118 4.131 4.112 0.019 1
1 317 . 9 1 1 A 30 30 ALA CA C 118 54.588 54.729 -0.141 1
1 318 . 9 1 1 A 30 30 ALA CB C 118 18.992 18.100 0.892 1
1 319 . 9 1 1 A 30 30 ALA N N 118 119.224 121.475 -2.251 1
1 320 . 9 1 1 A 31 31 GLU H H 119 7.553 7.570 -0.017 1
1 321 . 9 1 1 A 31 31 GLU HA H 119 4.103 4.126 -0.023 1
1 326 . 9 1 1 A 31 31 GLU CA C 119 58.126 58.429 -0.303 1
1 327 . 9 1 1 A 31 31 GLU CB C 119 30.080 29.557 0.523 1
1 328 . 9 1 1 A 31 31 GLU N N 119 116.043 118.217 -2.174 1
1 329 . 9 1 1 A 32 32 LEU H H 120 7.774 8.041 -0.267 1
1 330 . 9 1 1 A 32 32 LEU HA H 120 4.195 4.110 0.085 1
1 340 . 9 1 1 A 32 32 LEU CA C 120 56.946 57.900 -0.954 1
1 341 . 9 1 1 A 32 32 LEU CB C 120 42.961 41.781 1.180 1
1 345 . 9 1 1 A 32 32 LEU N N 120 119.210 120.815 -1.605 1
1 346 . 9 1 1 A 33 33 ASP H H 121 7.796 8.015 -0.219 1
1 347 . 9 1 1 A 33 33 ASP HA H 121 4.735 4.590 0.145 1
1 350 . 9 1 1 A 33 33 ASP CA C 121 53.409 54.491 -1.082 1
1 351 . 9 1 1 A 33 33 ASP CB C 121 41.168 42.431 -1.263 1
1 352 . 9 1 1 A 33 33 ASP N N 121 117.407 119.388 -1.981 1
1 353 . 9 1 1 A 34 34 GLU H H 122 8.884 8.776 0.108 1
1 354 . 9 1 1 A 34 34 GLU HA H 122 4.463 4.217 0.246 1
1 359 . 9 1 1 A 34 34 GLU CA C 122 57.967 58.569 -0.602 1
1 360 . 9 1 1 A 34 34 GLU CB C 122 29.753 30.555 -0.802 1
1 362 . 9 1 1 A 34 34 GLU N N 122 123.975 124.275 -0.300 1
1 363 . 9 1 1 A 35 35 THR H H 123 8.608 7.881 0.727 1
1 364 . 9 1 1 A 35 35 THR HA H 123 4.347 4.562 -0.215 1
1 369 . 9 1 1 A 35 35 THR CA C 123 62.804 61.297 1.507 1
1 370 . 9 1 1 A 35 35 THR CB C 123 69.406 69.329 0.077 1
1 372 . 9 1 1 A 35 35 THR N N 123 111.220 112.993 -1.773 1
1 373 . 9 1 1 A 36 36 LEU H H 124 7.104 7.348 -0.244 1
1 374 . 9 1 1 A 36 36 LEU HA H 124 4.461 4.584 -0.123 1
1 384 . 9 1 1 A 36 36 LEU CA C 124 55.174 53.641 1.533 1
1 385 . 9 1 1 A 36 36 LEU CB C 124 42.635 43.294 -0.659 1
1 389 . 9 1 1 A 36 36 LEU N N 124 122.774 121.276 1.498 1
1 390 . 9 1 1 A 37 37 SER H H 125 9.468 9.775 -0.307 1
1 391 . 9 1 1 A 37 37 SER HA H 125 4.594 4.593 0.001 1
1 394 . 9 1 1 A 37 37 SER CA C 125 56.932 57.587 -0.655 1
1 395 . 9 1 1 A 37 37 SER CB C 125 66.119 64.607 1.512 1
1 396 . 9 1 1 A 37 37 SER N N 125 121.762 118.509 3.253 1
1 397 . 9 1 1 A 38 38 SER H H 126 8.970 9.052 -0.082 1
1 398 . 9 1 1 A 38 38 SER HA H 126 3.925 4.163 -0.238 1
1 401 . 9 1 1 A 38 38 SER CA C 126 63.004 62.040 0.964 1
1 402 . 9 1 1 A 38 38 SER CB C 126 62.364 62.279 0.085 1
1 403 . 9 1 1 A 38 38 SER N N 126 116.391 118.231 -1.840 1
1 404 . 9 1 1 A 39 39 GLU H H 127 8.468 8.238 0.230 1
1 405 . 9 1 1 A 39 39 GLU HA H 127 4.125 4.045 0.080 1
1 410 . 9 1 1 A 39 39 GLU CA C 127 60.082 59.198 0.884 1
1 411 . 9 1 1 A 39 39 GLU CB C 127 29.427 29.287 0.140 1
1 413 . 9 1 1 A 39 39 GLU N N 127 119.790 122.176 -2.386 1
1 414 . 9 1 1 A 40 40 ASP H H 128 7.981 8.116 -0.135 1
1 415 . 9 1 1 A 40 40 ASP HA H 128 4.414 4.327 0.087 1
1 418 . 9 1 1 A 40 40 ASP CA C 128 57.473 57.293 0.180 1
1 419 . 9 1 1 A 40 40 ASP CB C 128 41.331 40.676 0.655 1
1 420 . 9 1 1 A 40 40 ASP N N 128 122.463 120.356 2.107 1
1 421 . 9 1 1 A 41 41 LEU H H 129 8.289 7.868 0.421 1
1 422 . 9 1 1 A 41 41 LEU HA H 129 4.019 3.970 0.049 1
1 432 . 9 1 1 A 41 41 LEU CA C 129 58.603 58.121 0.482 1
1 433 . 9 1 1 A 41 41 LEU CB C 129 42.146 41.618 0.528 1
1 437 . 9 1 1 A 41 41 LEU N N 129 121.708 120.003 1.705 1
1 438 . 9 1 1 A 42 42 ASP H H 130 8.353 8.661 -0.308 1
1 439 . 9 1 1 A 42 42 ASP HA H 130 4.225 4.261 -0.036 1
1 442 . 9 1 1 A 42 42 ASP CA C 130 57.797 57.993 -0.196 1
1 443 . 9 1 1 A 42 42 ASP CB C 130 40.352 41.914 -1.562 1
1 444 . 9 1 1 A 42 42 ASP N N 130 119.133 118.727 0.406 1
1 445 . 9 1 1 A 43 43 ALA H H 131 7.675 8.446 -0.771 1
1 446 . 9 1 1 A 43 43 ALA HA H 131 4.196 4.057 0.139 1
1 450 . 9 1 1 A 43 43 ALA CA C 131 55.002 55.361 -0.359 1
1 451 . 9 1 1 A 43 43 ALA CB C 131 18.267 18.377 -0.110 1
1 452 . 9 1 1 A 43 43 ALA N N 131 121.142 121.645 -0.503 1
1 453 . 9 1 1 A 44 44 MET H H 132 8.039 8.386 -0.347 1
1 454 . 9 1 1 A 44 44 MET HA H 132 4.153 4.150 0.003 1
1 462 . 9 1 1 A 44 44 MET CA C 132 59.435 58.578 0.857 1
1 463 . 9 1 1 A 44 44 MET CB C 132 33.830 32.867 0.963 1
1 466 . 9 1 1 A 44 44 MET N N 132 118.616 116.271 2.345 1
1 467 . 9 1 1 A 45 45 ILE H H 133 8.322 8.509 -0.187 1
1 468 . 9 1 1 A 45 45 ILE HA H 133 3.718 3.665 0.053 1
1 478 . 9 1 1 A 45 45 ILE CA C 133 62.804 65.479 -2.675 1
1 479 . 9 1 1 A 45 45 ILE CB C 133 35.787 37.406 -1.619 1
1 483 . 9 1 1 A 45 45 ILE N N 133 119.464 119.270 0.194 1
1 484 . 9 1 1 A 46 46 ASP H H 134 7.995 8.224 -0.229 1
1 485 . 9 1 1 A 46 46 ASP HA H 134 4.340 4.390 -0.050 1
1 488 . 9 1 1 A 46 46 ASP CA C 134 57.317 57.485 -0.168 1
1 489 . 9 1 1 A 46 46 ASP CB C 134 41.005 41.314 -0.309 1
1 490 . 9 1 1 A 47 47 GLU H H 135 7.371 7.836 -0.465 1
1 491 . 9 1 1 A 47 47 GLU HA H 135 4.106 4.132 -0.026 1
1 496 . 9 1 1 A 47 47 GLU CA C 135 58.543 59.152 -0.609 1
1 497 . 9 1 1 A 47 47 GLU CB C 135 29.916 30.059 -0.143 1
1 499 . 9 1 1 A 47 47 GLU N N 135 116.443 118.132 -1.689 1
1 500 . 9 1 1 A 48 48 ILE H H 136 8.523 7.754 0.769 1
1 501 . 9 1 1 A 48 48 ILE HA H 136 4.000 3.896 0.104 1
1 511 . 9 1 1 A 48 48 ILE CA C 136 63.676 64.416 -0.740 1
1 512 . 9 1 1 A 48 48 ILE CB C 136 39.357 37.927 1.430 1
1 516 . 9 1 1 A 48 48 ILE N N 136 121.250 120.397 0.853 1
1 517 . 9 1 1 A 49 49 ASP H H 137 7.840 8.715 -0.875 1
1 518 . 9 1 1 A 49 49 ASP HA H 137 5.106 4.331 0.775 1
1 521 . 9 1 1 A 49 49 ASP CA C 137 52.581 56.358 -3.777 1
1 522 . 9 1 1 A 49 49 ASP CB C 137 40.189 39.436 0.753 1
1 523 . 9 1 1 A 49 49 ASP N N 137 117.820 120.681 -2.861 1
1 524 . 9 1 1 A 50 50 ALA H H 138 7.846 8.229 -0.383 1
1 525 . 9 1 1 A 50 50 ALA HA H 138 4.181 4.580 -0.399 1
1 529 . 9 1 1 A 50 50 ALA CA C 138 55.346 51.937 3.409 1
1 530 . 9 1 1 A 50 50 ALA CB C 138 19.318 19.374 -0.056 1
1 531 . 9 1 1 A 50 50 ALA N N 138 125.638 124.766 0.872 1
1 532 . 9 1 1 A 51 51 ASP H H 139 8.485 8.207 0.278 1
1 533 . 9 1 1 A 51 51 ASP HA H 139 4.653 4.903 -0.250 1
1 536 . 9 1 1 A 51 51 ASP CB C 139 40.841 43.220 -2.379 1
1 537 . 9 1 1 A 51 51 ASP N N 139 113.885 115.659 -1.774 1
1 538 . 9 1 1 A 52 52 GLY H H 140 7.900 7.622 0.278 1
1 539 . 9 1 1 A 52 52 GLY HA2 H 140 3.845 4.051 -0.206 1
1 540 . 9 1 1 A 52 52 GLY HA3 H 140 3.845 4.075 -0.230 1
1 541 . 9 1 1 A 52 52 GLY CA C 140 47.527 44.489 3.038 1
1 542 . 9 1 1 A 52 52 GLY N N 140 113.060 108.137 4.923 1
1 543 . 9 1 1 A 53 53 SER H H 141 9.150 8.585 0.565 1
1 544 . 9 1 1 A 53 53 SER HA H 141 4.227 4.499 -0.272 1
1 547 . 9 1 1 A 53 53 SER CA C 141 60.461 57.851 2.610 1
1 548 . 9 1 1 A 53 53 SER CB C 141 64.645 63.050 1.595 1
1 549 . 9 1 1 A 53 53 SER N N 141 117.771 117.054 0.717 1
1 550 . 9 1 1 A 54 54 GLY H H 142 10.554 8.095 2.459 1
1 551 . 9 1 1 A 54 54 GLY HA2 H 142 3.781 4.004 -0.223 1
1 552 . 9 1 1 A 54 54 GLY HA3 H 142 4.210 4.006 0.204 1
1 553 . 9 1 1 A 54 54 GLY CA C 142 46.222 46.387 -0.165 1
1 554 . 9 1 1 A 54 54 GLY N N 142 115.432 109.431 6.001 1
1 555 . 9 1 1 A 55 55 THR H H 143 7.940 7.698 0.242 1
1 556 . 9 1 1 A 55 55 THR HA H 143 5.081 5.093 -0.012 1
1 561 . 9 1 1 A 55 55 THR CA C 143 59.861 60.705 -0.844 1
1 562 . 9 1 1 A 55 55 THR CB C 143 72.835 70.230 2.605 1
1 564 . 9 1 1 A 55 55 THR N N 143 110.471 110.401 0.070 1
1 565 . 9 1 1 A 56 56 VAL H H 144 9.090 9.420 -0.330 1
1 566 . 9 1 1 A 56 56 VAL HA H 144 4.553 4.258 0.295 1
1 574 . 9 1 1 A 56 56 VAL CA C 144 61.032 63.070 -2.038 1
1 575 . 9 1 1 A 56 56 VAL CB C 144 35.256 31.807 3.449 1
1 578 . 9 1 1 A 56 56 VAL N N 144 119.565 127.399 -7.834 1
1 579 . 9 1 1 A 57 57 ASP H H 145 8.870 8.936 -0.066 1
1 580 . 9 1 1 A 57 57 ASP HA H 145 5.088 5.482 -0.394 1
1 583 . 9 1 1 A 57 57 ASP CA C 145 53.231 52.999 0.232 1
1 584 . 9 1 1 A 57 57 ASP CB C 145 42.146 41.437 0.709 1
1 585 . 9 1 1 A 57 57 ASP N N 145 126.198 129.206 -3.008 1
1 586 . 9 1 1 A 58 58 PHE H H 146 8.223 8.814 -0.591 1
1 587 . 9 1 1 A 58 58 PHE HA H 146 3.538 4.183 -0.645 1
1 595 . 9 1 1 A 58 58 PHE CA C 146 61.718 62.181 -0.463 1
1 596 . 9 1 1 A 58 58 PHE CB C 146 39.211 39.214 -0.003 1
1 600 . 9 1 1 A 59 59 GLU H H 147 8.347 8.782 -0.435 1
1 601 . 9 1 1 A 59 59 GLU HA H 147 3.746 3.823 -0.077 1
1 606 . 9 1 1 A 59 59 GLU CA C 147 60.061 59.750 0.311 1
1 607 . 9 1 1 A 59 59 GLU CB C 147 29.101 29.280 -0.179 1
1 609 . 9 1 1 A 59 59 GLU N N 147 118.710 119.245 -0.535 1
1 610 . 9 1 1 A 60 60 GLU H H 148 8.380 8.246 0.134 1
1 611 . 9 1 1 A 60 60 GLU HA H 148 4.037 4.048 -0.011 1
1 616 . 9 1 1 A 60 60 GLU CA C 148 59.920 59.210 0.710 1
1 617 . 9 1 1 A 60 60 GLU CB C 148 30.080 29.486 0.594 1
1 618 . 9 1 1 A 60 60 GLU N N 148 121.774 118.693 3.081 1
1 619 . 9 1 1 A 61 61 PHE H H 149 8.421 8.463 -0.042 1
1 620 . 9 1 1 A 61 61 PHE HA H 149 4.083 4.174 -0.091 1
1 628 . 9 1 1 A 61 61 PHE CA C 149 61.232 61.212 0.020 1
1 629 . 9 1 1 A 61 61 PHE CB C 149 39.863 39.277 0.586 1
1 633 . 9 1 1 A 61 61 PHE N N 149 121.039 121.572 -0.533 1
1 634 . 9 1 1 A 62 62 MET H H 150 8.446 8.448 -0.002 1
1 635 . 9 1 1 A 62 62 MET HA H 150 3.857 3.792 0.065 1
1 643 . 9 1 1 A 62 62 MET CA C 150 57.310 57.973 -0.663 1
1 644 . 9 1 1 A 62 62 MET CB C 150 31.221 31.685 -0.464 1
1 647 . 9 1 1 A 62 62 MET N N 150 117.673 117.434 0.239 1
1 648 . 9 1 1 A 63 63 GLY H H 151 7.889 7.791 0.098 1
1 649 . 9 1 1 A 63 63 GLY HA2 H 151 3.774 3.627 0.147 1
1 650 . 9 1 1 A 63 63 GLY HA3 H 151 3.871 3.651 0.220 1
1 651 . 9 1 1 A 63 63 GLY CA C 151 47.038 46.989 0.049 1
1 652 . 9 1 1 A 63 63 GLY N N 151 107.497 106.461 1.036 1
1 653 . 9 1 1 A 64 64 VAL H H 152 7.571 8.656 -1.085 1
1 654 . 9 1 1 A 64 64 VAL HA H 152 3.937 3.907 0.030 1
1 662 . 9 1 1 A 64 64 VAL CA C 152 64.547 63.710 0.837 1
1 663 . 9 1 1 A 64 64 VAL CB C 152 32.362 31.824 0.538 1
1 666 . 9 1 1 A 64 64 VAL N N 152 119.340 121.726 -2.386 1
1 667 . 9 1 1 A 65 65 MET H H 153 7.773 7.326 0.447 1
1 668 . 9 1 1 A 65 65 MET HA H 153 4.367 4.662 -0.295 1
1 676 . 9 1 1 A 65 65 MET CA C 153 55.874 54.127 1.747 1
1 677 . 9 1 1 A 65 65 MET CB C 153 32.525 30.537 1.988 1
1 680 . 9 1 1 A 65 65 MET N N 153 117.775 118.355 -0.580 1
1 681 . 9 1 1 A 66 66 THR H H 154 7.789 8.565 -0.776 1
1 682 . 9 1 1 A 66 66 THR HA H 154 4.403 4.456 -0.053 1
1 687 . 9 1 1 A 66 66 THR CA C 154 62.204 62.252 -0.048 1
1 688 . 9 1 1 A 66 66 THR CB C 154 70.577 70.347 0.230 1
1 690 . 9 1 1 A 66 66 THR N N 154 110.197 112.157 -1.960 1
1 691 . 9 1 1 A 67 67 GLY H H 155 7.961 8.029 -0.068 1
1 692 . 9 1 1 A 67 67 GLY HA2 H 155 4.017 3.884 0.133 1
1 693 . 9 1 1 A 67 67 GLY HA3 H 155 4.017 3.884 0.133 1
1 694 . 9 1 1 A 67 67 GLY CA C 155 45.896 47.087 -1.191 1
1 695 . 9 1 1 A 67 67 GLY N N 155 110.658 110.673 -0.015 1
1 696 . 9 1 1 A 68 68 GLY H H 156 8.313 8.740 -0.427 1
1 697 . 9 1 1 A 68 68 GLY HA2 H 156 3.990 4.019 -0.029 1
1 698 . 9 1 1 A 68 68 GLY HA3 H 156 3.990 4.023 -0.033 1
1 699 . 9 1 1 A 68 68 GLY CA C 156 45.407 45.109 0.298 1
1 700 . 9 1 1 A 68 68 GLY N N 156 108.792 114.252 -5.460 1
1 701 . 9 1 1 A 69 69 ASP H H 157 8.290 7.293 0.997 1
1 702 . 9 1 1 A 69 69 ASP HA H 157 4.666 4.605 0.061 1
1 705 . 9 1 1 A 69 69 ASP CA C 157 54.588 55.039 -0.451 1
1 706 . 9 1 1 A 69 69 ASP CB C 157 41.700 40.569 1.131 1
1 707 . 9 1 1 A 69 69 ASP N N 157 120.766 120.580 0.186 1
1 3 . 10 1 1 A 2 2 GLN H H 90 8.276 8.719 -0.443 1
1 6 . 10 1 1 A 2 2 GLN N N 90 118.747 121.385 -2.638 1
1 8 . 10 1 1 A 3 3 GLN H H 91 8.199 8.548 -0.349 1
1 11 . 10 1 1 A 3 3 GLN N N 91 120.090 123.399 -3.309 1
1 13 . 10 1 1 A 4 4 GLU H H 92 8.454 7.908 0.546 1
1 14 . 10 1 1 A 4 4 GLU N N 92 120.250 122.836 -2.586 1
1 15 . 10 1 1 A 5 5 LEU H H 93 8.410 8.882 -0.472 1
1 16 . 10 1 1 A 5 5 LEU HA H 93 4.255 3.978 0.277 1
1 26 . 10 1 1 A 5 5 LEU CA C 93 58.103 57.524 0.579 1
1 27 . 10 1 1 A 5 5 LEU CB C 93 42.309 41.474 0.835 1
1 31 . 10 1 1 A 5 5 LEU N N 93 121.261 126.033 -4.772 1
1 32 . 10 1 1 A 6 6 ARG H H 94 8.345 8.278 0.067 1
1 33 . 10 1 1 A 6 6 ARG HA H 94 4.061 4.014 0.047 1
1 41 . 10 1 1 A 6 6 ARG CA C 94 60.241 59.190 1.051 1
1 42 . 10 1 1 A 6 6 ARG CB C 94 30.080 29.923 0.157 1
1 45 . 10 1 1 A 6 6 ARG N N 94 119.790 120.986 -1.196 1
1 46 . 10 1 1 A 7 7 GLU H H 95 8.010 9.010 -1.000 1
1 47 . 10 1 1 A 7 7 GLU HA H 95 4.122 4.169 -0.047 1
1 52 . 10 1 1 A 7 7 GLU CA C 95 59.861 59.306 0.555 1
1 53 . 10 1 1 A 7 7 GLU CB C 95 28.812 29.390 -0.578 1
1 54 . 10 1 1 A 7 7 GLU N N 95 118.474 117.326 1.148 1
1 55 . 10 1 1 A 8 8 ALA H H 96 8.052 7.744 0.308 1
1 56 . 10 1 1 A 8 8 ALA HA H 96 4.199 4.366 -0.167 1
1 60 . 10 1 1 A 8 8 ALA CA C 96 55.174 55.116 0.058 1
1 61 . 10 1 1 A 8 8 ALA CB C 96 18.502 18.596 -0.094 1
1 62 . 10 1 1 A 8 8 ALA N N 96 122.505 122.353 0.152 1
1 63 . 10 1 1 A 9 9 PHE H H 97 8.432 8.416 0.016 1
1 64 . 10 1 1 A 9 9 PHE HA H 97 3.803 3.789 0.014 1
1 72 . 10 1 1 A 9 9 PHE CA C 97 61.732 61.416 0.316 1
1 73 . 10 1 1 A 9 9 PHE CB C 97 39.537 39.092 0.445 1
1 77 . 10 1 1 A 9 9 PHE N N 97 117.510 120.221 -2.711 1
1 78 . 10 1 1 A 10 10 ARG H H 98 7.840 8.380 -0.540 1
1 79 . 10 1 1 A 10 10 ARG HA H 98 3.955 4.331 -0.376 1
1 86 . 10 1 1 A 10 10 ARG CA C 98 59.109 58.029 1.080 1
1 87 . 10 1 1 A 10 10 ARG CB C 98 30.243 29.766 0.477 1
1 90 . 10 1 1 A 10 10 ARG N N 98 116.256 118.242 -1.986 1
1 91 . 10 1 1 A 11 11 LEU H H 99 7.578 7.856 -0.278 1
1 92 . 10 1 1 A 11 11 LEU HA H 99 3.958 4.219 -0.261 1
1 102 . 10 1 1 A 11 11 LEU CA C 99 57.310 57.563 -0.253 1
1 103 . 10 1 1 A 11 11 LEU CB C 99 41.820 42.021 -0.201 1
1 107 . 10 1 1 A 11 11 LEU N N 99 118.446 120.809 -2.363 1
1 108 . 10 1 1 A 12 12 TYR H H 100 7.523 8.143 -0.620 1
1 109 . 10 1 1 A 12 12 TYR HA H 100 4.369 4.336 0.033 1
1 116 . 10 1 1 A 12 12 TYR CA C 100 59.861 59.532 0.329 1
1 117 . 10 1 1 A 12 12 TYR CB C 100 39.700 38.669 1.031 1
1 120 . 10 1 1 A 12 12 TYR N N 100 116.280 116.787 -0.507 1
1 121 . 10 1 1 A 13 13 ASP H H 101 7.945 7.873 0.072 1
1 122 . 10 1 1 A 13 13 ASP HA H 101 4.787 4.776 0.011 1
1 125 . 10 1 1 A 13 13 ASP CA C 101 52.245 52.455 -0.210 1
1 126 . 10 1 1 A 13 13 ASP CB C 101 39.537 40.724 -1.187 1
1 127 . 10 1 1 A 13 13 ASP N N 101 121.756 118.181 3.575 1
1 128 . 10 1 1 A 14 14 LYS H H 102 7.858 8.539 -0.681 1
1 129 . 10 1 1 A 14 14 LYS HA H 102 4.033 4.530 -0.497 1
1 138 . 10 1 1 A 14 14 LYS CA C 102 59.269 58.261 1.008 1
1 139 . 10 1 1 A 14 14 LYS CB C 102 32.688 32.474 0.214 1
1 143 . 10 1 1 A 14 14 LYS N N 102 123.213 126.509 -3.296 1
1 144 . 10 1 1 A 15 15 GLU H H 103 8.640 7.875 0.765 1
1 145 . 10 1 1 A 15 15 GLU HA H 103 4.218 4.418 -0.200 1
1 150 . 10 1 1 A 15 15 GLU CA C 103 56.981 55.847 1.134 1
1 151 . 10 1 1 A 15 15 GLU CB C 103 29.753 29.320 0.433 1
1 153 . 10 1 1 A 15 15 GLU N N 103 116.301 115.667 0.634 1
1 154 . 10 1 1 A 16 16 GLY H H 104 7.824 7.494 0.330 1
1 155 . 10 1 1 A 16 16 GLY HA2 H 104 3.724 4.065 -0.341 1
1 156 . 10 1 1 A 16 16 GLY HA3 H 104 3.855 4.072 -0.217 1
1 157 . 10 1 1 A 16 16 GLY CA C 104 47.201 44.136 3.065 1
1 158 . 10 1 1 A 16 16 GLY N N 104 109.341 108.115 1.226 1
1 159 . 10 1 1 A 17 17 ASN H H 105 9.620 8.451 1.169 1
1 160 . 10 1 1 A 17 17 ASN HA H 105 4.562 5.226 -0.664 1
1 165 . 10 1 1 A 17 17 ASN CA C 105 54.588 52.608 1.980 1
1 166 . 10 1 1 A 17 17 ASN CB C 105 39.374 38.133 1.241 1
1 167 . 10 1 1 A 17 17 ASN N N 105 120.357 120.888 -0.531 1
1 169 . 10 1 1 A 18 18 GLY H H 106 10.621 8.812 1.809 1
1 170 . 10 1 1 A 18 18 GLY HA2 H 106 3.650 3.705 -0.055 1
1 171 . 10 1 1 A 18 18 GLY HA3 H 106 4.265 3.954 0.311 1
1 172 . 10 1 1 A 18 18 GLY CA C 106 45.733 45.708 0.025 1
1 173 . 10 1 1 A 18 18 GLY N N 106 111.026 111.699 -0.673 1
1 174 . 10 1 1 A 19 19 TYR H H 107 7.300 8.541 -1.241 1
1 175 . 10 1 1 A 19 19 TYR HA H 107 5.472 4.763 0.709 1
1 182 . 10 1 1 A 19 19 TYR CA C 107 56.346 56.891 -0.545 1
1 183 . 10 1 1 A 19 19 TYR CB C 107 40.841 36.422 4.419 1
1 186 . 10 1 1 A 19 19 TYR N N 107 115.597 126.298 -10.701 1
1 187 . 10 1 1 A 20 20 ILE H H 108 8.866 7.905 0.961 1
1 188 . 10 1 1 A 20 20 ILE HA H 108 4.778 4.183 0.595 1
1 198 . 10 1 1 A 20 20 ILE CA C 108 59.275 60.768 -1.493 1
1 199 . 10 1 1 A 20 20 ILE CB C 108 42.635 38.713 3.922 1
1 203 . 10 1 1 A 20 20 ILE N N 108 113.436 121.780 -8.344 1
1 204 . 10 1 1 A 21 21 SER H H 109 8.620 8.640 -0.020 1
1 205 . 10 1 1 A 21 21 SER HA H 109 5.058 4.519 0.539 1
1 208 . 10 1 1 A 21 21 SER CA C 109 57.756 59.878 -2.122 1
1 209 . 10 1 1 A 21 21 SER CB C 109 63.883 63.497 0.386 1
1 210 . 10 1 1 A 21 21 SER N N 109 117.553 121.393 -3.840 1
1 211 . 10 1 1 A 22 22 THR H H 110 8.354 8.845 -0.491 1
1 212 . 10 1 1 A 22 22 THR HA H 110 3.801 4.187 -0.386 1
1 217 . 10 1 1 A 22 22 THR CA C 110 65.633 64.797 0.836 1
1 218 . 10 1 1 A 22 22 THR CB C 110 67.909 68.576 -0.667 1
1 220 . 10 1 1 A 22 22 THR N N 110 114.232 118.382 -4.150 1
1 221 . 10 1 1 A 23 23 ASP H H 111 8.177 8.241 -0.064 1
1 222 . 10 1 1 A 23 23 ASP HA H 111 4.392 4.261 0.131 1
1 225 . 10 1 1 A 23 23 ASP CA C 111 57.779 57.739 0.040 1
1 226 . 10 1 1 A 23 23 ASP CB C 111 40.352 41.623 -1.271 1
1 227 . 10 1 1 A 23 23 ASP N N 111 120.992 121.868 -0.876 1
1 228 . 10 1 1 A 24 24 VAL H H 112 7.504 8.095 -0.591 1
1 229 . 10 1 1 A 24 24 VAL HA H 112 3.744 3.499 0.245 1
1 237 . 10 1 1 A 24 24 VAL CA C 112 65.719 66.558 -0.839 1
1 238 . 10 1 1 A 24 24 VAL CB C 112 31.741 31.455 0.286 1
1 241 . 10 1 1 A 24 24 VAL N N 112 122.123 119.173 2.950 1
1 242 . 10 1 1 A 25 25 MET H H 113 7.984 7.907 0.077 1
1 243 . 10 1 1 A 25 25 MET HA H 113 4.069 4.056 0.013 1
1 251 . 10 1 1 A 25 25 MET CA C 113 58.552 58.361 0.191 1
1 252 . 10 1 1 A 25 25 MET CB C 113 33.504 31.846 1.658 1
1 255 . 10 1 1 A 25 25 MET N N 113 119.521 119.858 -0.337 1
1 256 . 10 1 1 A 26 26 ARG H H 114 8.190 8.131 0.059 1
1 257 . 10 1 1 A 26 26 ARG HA H 114 3.745 4.084 -0.339 1
1 265 . 10 1 1 A 26 26 ARG CA C 114 60.747 59.218 1.529 1
1 266 . 10 1 1 A 26 26 ARG CB C 114 29.398 29.871 -0.473 1
1 269 . 10 1 1 A 26 26 ARG N N 114 117.832 118.892 -1.060 1
1 270 . 10 1 1 A 27 27 GLU H H 115 7.265 7.702 -0.437 1
1 271 . 10 1 1 A 27 27 GLU HA H 115 4.010 4.149 -0.139 1
1 276 . 10 1 1 A 27 27 GLU CA C 115 59.435 59.004 0.431 1
1 277 . 10 1 1 A 27 27 GLU N N 115 117.949 119.275 -1.326 1
1 278 . 10 1 1 A 28 28 ILE H H 116 8.074 7.991 0.083 1
1 279 . 10 1 1 A 28 28 ILE HA H 116 3.622 3.639 -0.017 1
1 289 . 10 1 1 A 28 28 ILE CA C 116 65.633 65.740 -0.107 1
1 290 . 10 1 1 A 28 28 ILE CB C 116 38.771 38.102 0.669 1
1 294 . 10 1 1 A 28 28 ILE N N 116 120.582 119.548 1.034 1
1 295 . 10 1 1 A 29 29 LEU H H 117 8.183 8.295 -0.112 1
1 296 . 10 1 1 A 29 29 LEU HA H 117 3.901 3.917 -0.016 1
1 306 . 10 1 1 A 29 29 LEU CA C 117 58.103 58.137 -0.034 1
1 307 . 10 1 1 A 29 29 LEU CB C 117 42.286 41.508 0.778 1
1 311 . 10 1 1 A 29 29 LEU N N 117 118.919 119.140 -0.221 1
1 312 . 10 1 1 A 30 30 ALA H H 118 7.920 8.194 -0.274 1
1 313 . 10 1 1 A 30 30 ALA HA H 118 4.131 4.065 0.066 1
1 317 . 10 1 1 A 30 30 ALA CA C 118 54.588 54.521 0.067 1
1 318 . 10 1 1 A 30 30 ALA CB C 118 18.992 18.188 0.804 1
1 319 . 10 1 1 A 30 30 ALA N N 118 119.224 120.139 -0.915 1
1 320 . 10 1 1 A 31 31 GLU H H 119 7.553 7.750 -0.197 1
1 321 . 10 1 1 A 31 31 GLU HA H 119 4.103 4.129 -0.026 1
1 326 . 10 1 1 A 31 31 GLU CA C 119 58.126 58.554 -0.428 1
1 327 . 10 1 1 A 31 31 GLU CB C 119 30.080 29.465 0.615 1
1 328 . 10 1 1 A 31 31 GLU N N 119 116.043 118.029 -1.986 1
1 329 . 10 1 1 A 32 32 LEU H H 120 7.774 8.116 -0.342 1
1 330 . 10 1 1 A 32 32 LEU HA H 120 4.195 4.246 -0.051 1
1 340 . 10 1 1 A 32 32 LEU CA C 120 56.946 57.391 -0.445 1
1 341 . 10 1 1 A 32 32 LEU CB C 120 42.961 42.657 0.304 1
1 345 . 10 1 1 A 32 32 LEU N N 120 119.210 120.859 -1.649 1
1 346 . 10 1 1 A 33 33 ASP H H 121 7.796 7.625 0.171 1
1 347 . 10 1 1 A 33 33 ASP HA H 121 4.735 4.692 0.043 1
1 350 . 10 1 1 A 33 33 ASP CA C 121 53.409 52.693 0.716 1
1 351 . 10 1 1 A 33 33 ASP CB C 121 41.168 42.534 -1.366 1
1 352 . 10 1 1 A 33 33 ASP N N 121 117.407 119.372 -1.965 1
1 353 . 10 1 1 A 34 34 GLU H H 122 8.884 8.709 0.175 1
1 354 . 10 1 1 A 34 34 GLU HA H 122 4.463 4.723 -0.260 1
1 359 . 10 1 1 A 34 34 GLU CA C 122 57.967 55.436 2.531 1
1 360 . 10 1 1 A 34 34 GLU CB C 122 29.753 29.369 0.384 1
1 362 . 10 1 1 A 34 34 GLU N N 122 123.975 118.365 5.610 1
1 363 . 10 1 1 A 35 35 THR H H 123 8.608 8.546 0.062 1
1 364 . 10 1 1 A 35 35 THR HA H 123 4.347 4.573 -0.226 1
1 369 . 10 1 1 A 35 35 THR CA C 123 62.804 61.821 0.983 1
1 370 . 10 1 1 A 35 35 THR CB C 123 69.406 71.941 -2.535 1
1 372 . 10 1 1 A 35 35 THR N N 123 111.220 116.336 -5.116 1
1 373 . 10 1 1 A 36 36 LEU H H 124 7.104 7.460 -0.356 1
1 374 . 10 1 1 A 36 36 LEU HA H 124 4.461 5.082 -0.621 1
1 384 . 10 1 1 A 36 36 LEU CA C 124 55.174 53.034 2.140 1
1 385 . 10 1 1 A 36 36 LEU CB C 124 42.635 46.090 -3.455 1
1 389 . 10 1 1 A 36 36 LEU N N 124 122.774 118.502 4.272 1
1 390 . 10 1 1 A 37 37 SER H H 125 9.468 9.062 0.406 1
1 391 . 10 1 1 A 37 37 SER HA H 125 4.594 4.687 -0.093 1
1 394 . 10 1 1 A 37 37 SER CA C 125 56.932 57.092 -0.160 1
1 395 . 10 1 1 A 37 37 SER CB C 125 66.119 65.876 0.243 1
1 396 . 10 1 1 A 37 37 SER N N 125 121.762 117.243 4.519 1
1 397 . 10 1 1 A 38 38 SER H H 126 8.970 8.796 0.174 1
1 398 . 10 1 1 A 38 38 SER HA H 126 3.925 4.074 -0.149 1
1 401 . 10 1 1 A 38 38 SER CA C 126 63.004 61.877 1.127 1
1 402 . 10 1 1 A 38 38 SER CB C 126 62.364 62.952 -0.588 1
1 403 . 10 1 1 A 38 38 SER N N 126 116.391 117.830 -1.439 1
1 404 . 10 1 1 A 39 39 GLU H H 127 8.468 7.870 0.598 1
1 405 . 10 1 1 A 39 39 GLU HA H 127 4.125 4.104 0.021 1
1 410 . 10 1 1 A 39 39 GLU CA C 127 60.082 59.114 0.968 1
1 411 . 10 1 1 A 39 39 GLU CB C 127 29.427 29.357 0.070 1
1 413 . 10 1 1 A 39 39 GLU N N 127 119.790 122.207 -2.417 1
1 414 . 10 1 1 A 40 40 ASP H H 128 7.981 8.011 -0.030 1
1 415 . 10 1 1 A 40 40 ASP HA H 128 4.414 4.458 -0.044 1
1 418 . 10 1 1 A 40 40 ASP CA C 128 57.473 57.304 0.169 1
1 419 . 10 1 1 A 40 40 ASP CB C 128 41.331 40.993 0.338 1
1 420 . 10 1 1 A 40 40 ASP N N 128 122.463 120.644 1.819 1
1 421 . 10 1 1 A 41 41 LEU H H 129 8.289 7.848 0.441 1
1 422 . 10 1 1 A 41 41 LEU HA H 129 4.019 3.958 0.061 1
1 432 . 10 1 1 A 41 41 LEU CA C 129 58.603 57.950 0.653 1
1 433 . 10 1 1 A 41 41 LEU CB C 129 42.146 41.130 1.016 1
1 437 . 10 1 1 A 41 41 LEU N N 129 121.708 120.532 1.176 1
1 438 . 10 1 1 A 42 42 ASP H H 130 8.353 8.651 -0.298 1
1 439 . 10 1 1 A 42 42 ASP HA H 130 4.225 4.325 -0.100 1
1 442 . 10 1 1 A 42 42 ASP CA C 130 57.797 57.910 -0.113 1
1 443 . 10 1 1 A 42 42 ASP CB C 130 40.352 42.090 -1.738 1
1 444 . 10 1 1 A 42 42 ASP N N 130 119.133 120.320 -1.187 1
1 445 . 10 1 1 A 43 43 ALA H H 131 7.675 7.883 -0.208 1
1 446 . 10 1 1 A 43 43 ALA HA H 131 4.196 4.156 0.040 1
1 450 . 10 1 1 A 43 43 ALA CA C 131 55.002 55.228 -0.226 1
1 451 . 10 1 1 A 43 43 ALA CB C 131 18.267 18.229 0.038 1
1 452 . 10 1 1 A 43 43 ALA N N 131 121.142 121.275 -0.133 1
1 453 . 10 1 1 A 44 44 MET H H 132 8.039 7.910 0.129 1
1 454 . 10 1 1 A 44 44 MET HA H 132 4.153 4.243 -0.090 1
1 462 . 10 1 1 A 44 44 MET CA C 132 59.435 58.184 1.251 1
1 463 . 10 1 1 A 44 44 MET CB C 132 33.830 33.203 0.627 1
1 466 . 10 1 1 A 44 44 MET N N 132 118.616 116.208 2.408 1
1 467 . 10 1 1 A 45 45 ILE H H 133 8.322 8.517 -0.195 1
1 468 . 10 1 1 A 45 45 ILE HA H 133 3.718 4.298 -0.580 1
1 478 . 10 1 1 A 45 45 ILE CA C 133 62.804 60.874 1.930 1
1 479 . 10 1 1 A 45 45 ILE CB C 133 35.787 35.437 0.350 1
1 483 . 10 1 1 A 45 45 ILE N N 133 119.464 118.011 1.453 1
1 484 . 10 1 1 A 46 46 ASP H H 134 7.995 8.871 -0.876 1
1 485 . 10 1 1 A 46 46 ASP HA H 134 4.340 4.917 -0.577 1
1 488 . 10 1 1 A 46 46 ASP CA C 134 57.317 55.626 1.691 1
1 489 . 10 1 1 A 46 46 ASP CB C 134 41.005 43.473 -2.468 1
1 490 . 10 1 1 A 47 47 GLU H H 135 7.371 8.128 -0.757 1
1 491 . 10 1 1 A 47 47 GLU HA H 135 4.106 4.520 -0.414 1
1 496 . 10 1 1 A 47 47 GLU CA C 135 58.543 56.290 2.253 1
1 497 . 10 1 1 A 47 47 GLU CB C 135 29.916 30.516 -0.600 1
1 499 . 10 1 1 A 47 47 GLU N N 135 116.443 116.596 -0.153 1
1 500 . 10 1 1 A 48 48 ILE H H 136 8.523 7.622 0.901 1
1 501 . 10 1 1 A 48 48 ILE HA H 136 4.000 3.931 0.069 1
1 511 . 10 1 1 A 48 48 ILE CA C 136 63.676 62.765 0.911 1
1 512 . 10 1 1 A 48 48 ILE CB C 136 39.357 38.235 1.122 1
1 516 . 10 1 1 A 48 48 ILE N N 136 121.250 120.800 0.450 1
1 517 . 10 1 1 A 49 49 ASP H H 137 7.840 8.308 -0.468 1
1 518 . 10 1 1 A 49 49 ASP HA H 137 5.106 4.732 0.374 1
1 521 . 10 1 1 A 49 49 ASP CA C 137 52.581 53.045 -0.464 1
1 522 . 10 1 1 A 49 49 ASP CB C 137 40.189 40.250 -0.061 1
1 523 . 10 1 1 A 49 49 ASP N N 137 117.820 118.172 -0.352 1
1 524 . 10 1 1 A 50 50 ALA H H 138 7.846 8.004 -0.158 1
1 525 . 10 1 1 A 50 50 ALA HA H 138 4.181 4.419 -0.238 1
1 529 . 10 1 1 A 50 50 ALA CA C 138 55.346 52.425 2.921 1
1 530 . 10 1 1 A 50 50 ALA CB C 138 19.318 18.507 0.811 1
1 531 . 10 1 1 A 50 50 ALA N N 138 125.638 122.605 3.033 1
1 532 . 10 1 1 A 51 51 ASP H H 139 8.485 8.047 0.438 1
1 533 . 10 1 1 A 51 51 ASP HA H 139 4.653 4.738 -0.085 1
1 536 . 10 1 1 A 51 51 ASP CB C 139 40.841 42.631 -1.790 1
1 537 . 10 1 1 A 51 51 ASP N N 139 113.885 118.065 -4.180 1
1 538 . 10 1 1 A 52 52 GLY H H 140 7.900 7.385 0.515 1
1 539 . 10 1 1 A 52 52 GLY HA2 H 140 3.845 4.054 -0.209 1
1 540 . 10 1 1 A 52 52 GLY HA3 H 140 3.845 4.060 -0.215 1
1 541 . 10 1 1 A 52 52 GLY CA C 140 47.527 45.662 1.865 1
1 542 . 10 1 1 A 52 52 GLY N N 140 113.060 105.859 7.201 1
1 543 . 10 1 1 A 53 53 SER H H 141 9.150 9.025 0.125 1
1 544 . 10 1 1 A 53 53 SER HA H 141 4.227 4.161 0.066 1
1 547 . 10 1 1 A 53 53 SER CA C 141 60.461 59.243 1.218 1
1 548 . 10 1 1 A 53 53 SER CB C 141 64.645 61.747 2.898 1
1 549 . 10 1 1 A 53 53 SER N N 141 117.771 111.294 6.477 1
1 550 . 10 1 1 A 54 54 GLY H H 142 10.554 8.299 2.255 1
1 551 . 10 1 1 A 54 54 GLY HA2 H 142 3.781 3.967 -0.186 1
1 552 . 10 1 1 A 54 54 GLY HA3 H 142 4.210 3.969 0.241 1
1 553 . 10 1 1 A 54 54 GLY CA C 142 46.222 46.780 -0.558 1
1 554 . 10 1 1 A 54 54 GLY N N 142 115.432 105.157 10.275 1
1 555 . 10 1 1 A 55 55 THR H H 143 7.940 7.481 0.459 1
1 556 . 10 1 1 A 55 55 THR HA H 143 5.081 5.113 -0.032 1
1 561 . 10 1 1 A 55 55 THR CA C 143 59.861 60.082 -0.221 1
1 562 . 10 1 1 A 55 55 THR CB C 143 72.835 71.825 1.010 1
1 564 . 10 1 1 A 55 55 THR N N 143 110.471 113.162 -2.691 1
1 565 . 10 1 1 A 56 56 VAL H H 144 9.090 8.589 0.501 1
1 566 . 10 1 1 A 56 56 VAL HA H 144 4.553 4.796 -0.243 1
1 574 . 10 1 1 A 56 56 VAL CA C 144 61.032 61.062 -0.030 1
1 575 . 10 1 1 A 56 56 VAL CB C 144 35.256 34.459 0.797 1
1 578 . 10 1 1 A 56 56 VAL N N 144 119.565 127.621 -8.056 1
1 579 . 10 1 1 A 57 57 ASP H H 145 8.870 8.629 0.241 1
1 580 . 10 1 1 A 57 57 ASP HA H 145 5.088 4.948 0.140 1
1 583 . 10 1 1 A 57 57 ASP CA C 145 53.231 51.783 1.448 1
1 584 . 10 1 1 A 57 57 ASP CB C 145 42.146 41.648 0.498 1
1 585 . 10 1 1 A 57 57 ASP N N 145 126.198 125.918 0.280 1
1 586 . 10 1 1 A 58 58 PHE H H 146 8.223 7.729 0.494 1
1 587 . 10 1 1 A 58 58 PHE HA H 146 3.538 4.073 -0.535 1
1 595 . 10 1 1 A 58 58 PHE CA C 146 61.718 56.985 4.733 1
1 596 . 10 1 1 A 58 58 PHE CB C 146 39.211 39.602 -0.391 1
1 600 . 10 1 1 A 59 59 GLU H H 147 8.347 9.021 -0.674 1
1 601 . 10 1 1 A 59 59 GLU HA H 147 3.746 3.984 -0.238 1
1 606 . 10 1 1 A 59 59 GLU CA C 147 60.061 58.868 1.193 1
1 607 . 10 1 1 A 59 59 GLU CB C 147 29.101 27.592 1.509 1
1 609 . 10 1 1 A 59 59 GLU N N 147 118.710 116.600 2.110 1
1 610 . 10 1 1 A 60 60 GLU H H 148 8.380 8.716 -0.336 1
1 611 . 10 1 1 A 60 60 GLU HA H 148 4.037 4.092 -0.055 1
1 616 . 10 1 1 A 60 60 GLU CA C 148 59.920 59.028 0.892 1
1 617 . 10 1 1 A 60 60 GLU CB C 148 30.080 29.580 0.500 1
1 618 . 10 1 1 A 60 60 GLU N N 148 121.774 118.810 2.964 1
1 619 . 10 1 1 A 61 61 PHE H H 149 8.421 7.524 0.897 1
1 620 . 10 1 1 A 61 61 PHE HA H 149 4.083 4.587 -0.504 1
1 628 . 10 1 1 A 61 61 PHE CA C 149 61.232 56.399 4.833 1
1 629 . 10 1 1 A 61 61 PHE CB C 149 39.863 37.621 2.242 1
1 633 . 10 1 1 A 61 61 PHE N N 149 121.039 121.112 -0.073 1
1 634 . 10 1 1 A 62 62 MET H H 150 8.446 8.480 -0.034 1
1 635 . 10 1 1 A 62 62 MET HA H 150 3.857 4.411 -0.554 1
1 643 . 10 1 1 A 62 62 MET CA C 150 57.310 56.472 0.838 1
1 644 . 10 1 1 A 62 62 MET CB C 150 31.221 34.540 -3.319 1
1 647 . 10 1 1 A 62 62 MET N N 150 117.673 125.374 -7.701 1
1 648 . 10 1 1 A 63 63 GLY H H 151 7.889 8.276 -0.387 1
1 649 . 10 1 1 A 63 63 GLY HA2 H 151 3.774 3.698 0.076 1
1 650 . 10 1 1 A 63 63 GLY HA3 H 151 3.871 3.711 0.160 1
1 651 . 10 1 1 A 63 63 GLY CA C 151 47.038 47.280 -0.242 1
1 652 . 10 1 1 A 63 63 GLY N N 151 107.497 107.691 -0.194 1
1 653 . 10 1 1 A 64 64 VAL H H 152 7.571 7.501 0.070 1
1 654 . 10 1 1 A 64 64 VAL HA H 152 3.937 3.739 0.198 1
1 662 . 10 1 1 A 64 64 VAL CA C 152 64.547 65.743 -1.196 1
1 663 . 10 1 1 A 64 64 VAL CB C 152 32.362 31.750 0.612 1
1 666 . 10 1 1 A 64 64 VAL N N 152 119.340 121.209 -1.869 1
1 667 . 10 1 1 A 65 65 MET H H 153 7.773 7.600 0.173 1
1 668 . 10 1 1 A 65 65 MET HA H 153 4.367 4.007 0.360 1
1 676 . 10 1 1 A 65 65 MET CA C 153 55.874 56.170 -0.296 1
1 677 . 10 1 1 A 65 65 MET CB C 153 32.525 32.855 -0.330 1
1 680 . 10 1 1 A 65 65 MET N N 153 117.775 120.111 -2.336 1
1 681 . 10 1 1 A 66 66 THR H H 154 7.789 8.857 -1.068 1
1 682 . 10 1 1 A 66 66 THR HA H 154 4.403 4.289 0.114 1
1 687 . 10 1 1 A 66 66 THR CA C 154 62.204 63.809 -1.605 1
1 688 . 10 1 1 A 66 66 THR CB C 154 70.577 66.953 3.624 1
1 690 . 10 1 1 A 66 66 THR N N 154 110.197 120.386 -10.189 1
1 691 . 10 1 1 A 67 67 GLY H H 155 7.961 7.813 0.148 1
1 692 . 10 1 1 A 67 67 GLY HA2 H 155 4.017 3.920 0.097 1
1 693 . 10 1 1 A 67 67 GLY HA3 H 155 4.017 3.925 0.092 1
1 694 . 10 1 1 A 67 67 GLY CA C 155 45.896 45.351 0.545 1
1 695 . 10 1 1 A 67 67 GLY N N 155 110.658 110.221 0.437 1
1 696 . 10 1 1 A 68 68 GLY H H 156 8.313 7.970 0.343 1
1 697 . 10 1 1 A 68 68 GLY HA2 H 156 3.990 4.095 -0.105 1
1 698 . 10 1 1 A 68 68 GLY HA3 H 156 3.990 4.096 -0.106 1
1 699 . 10 1 1 A 68 68 GLY CA C 156 45.407 44.111 1.296 1
1 700 . 10 1 1 A 68 68 GLY N N 156 108.792 108.422 0.370 1
1 701 . 10 1 1 A 69 69 ASP H H 157 8.290 8.734 -0.444 1
1 702 . 10 1 1 A 69 69 ASP HA H 157 4.666 5.119 -0.453 1
1 705 . 10 1 1 A 69 69 ASP CA C 157 54.588 53.378 1.210 1
1 706 . 10 1 1 A 69 69 ASP CB C 157 41.700 44.465 -2.765 1
1 707 . 10 1 1 A 69 69 ASP N N 157 120.766 120.650 0.116 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 64 1.181 1
3 1 1 1 "RMS(OBS, PRED)" CB 57 1.134 1
4 1 1 1 "RMS(OBS, PRED)" H 68 0.584 1
5 1 1 1 "RMS(OBS, PRED)" HA 72 0.254 1
6 1 1 1 "RMS(OBS, PRED)" N 66 2.978 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 64 1.516 1
9 1 2 1 "RMS(OBS, PRED)" CB 57 1.305 1
10 1 2 1 "RMS(OBS, PRED)" H 68 0.647 1
11 1 2 1 "RMS(OBS, PRED)" HA 72 0.281 1
12 1 2 1 "RMS(OBS, PRED)" N 66 2.996 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 64 1.066 1
15 1 3 1 "RMS(OBS, PRED)" CB 57 1.197 1
16 1 3 1 "RMS(OBS, PRED)" H 68 0.516 1
17 1 3 1 "RMS(OBS, PRED)" HA 72 0.200 1
18 1 3 1 "RMS(OBS, PRED)" N 66 2.782 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 64 1.319 1
21 1 4 1 "RMS(OBS, PRED)" CB 57 1.180 1
22 1 4 1 "RMS(OBS, PRED)" H 68 0.584 1
23 1 4 1 "RMS(OBS, PRED)" HA 72 0.236 1
24 1 4 1 "RMS(OBS, PRED)" N 66 2.953 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 64 1.067 1
27 1 5 1 "RMS(OBS, PRED)" CB 57 1.147 1
28 1 5 1 "RMS(OBS, PRED)" H 68 0.571 1
29 1 5 1 "RMS(OBS, PRED)" HA 72 0.209 1
30 1 5 1 "RMS(OBS, PRED)" N 66 3.166 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 64 1.512 1
33 1 6 1 "RMS(OBS, PRED)" CB 57 1.487 1
34 1 6 1 "RMS(OBS, PRED)" H 68 0.618 1
35 1 6 1 "RMS(OBS, PRED)" HA 72 0.283 1
36 1 6 1 "RMS(OBS, PRED)" N 66 2.942 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 64 1.288 1
39 1 7 1 "RMS(OBS, PRED)" CB 57 1.300 1
40 1 7 1 "RMS(OBS, PRED)" H 68 0.583 1
41 1 7 1 "RMS(OBS, PRED)" HA 72 0.224 1
42 1 7 1 "RMS(OBS, PRED)" N 66 3.032 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 64 1.072 1
45 1 8 1 "RMS(OBS, PRED)" CB 57 1.399 1
46 1 8 1 "RMS(OBS, PRED)" H 68 0.648 1
47 1 8 1 "RMS(OBS, PRED)" HA 72 0.242 1
48 1 8 1 "RMS(OBS, PRED)" N 66 3.070 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 64 1.176 1
51 1 9 1 "RMS(OBS, PRED)" CB 57 1.143 1
52 1 9 1 "RMS(OBS, PRED)" H 68 0.628 1
53 1 9 1 "RMS(OBS, PRED)" HA 72 0.231 1
54 1 9 1 "RMS(OBS, PRED)" N 66 2.912 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 64 1.447 1
57 1 10 1 "RMS(OBS, PRED)" CB 57 1.555 1
58 1 10 1 "RMS(OBS, PRED)" H 68 0.609 1
59 1 10 1 "RMS(OBS, PRED)" HA 72 0.292 1
60 1 10 1 "RMS(OBS, PRED)" N 66 3.797 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 3 . 1 1 A 2 2 GLN H H 90 8.276 8.421 -0.145 2
1 6 . 1 1 A 2 2 GLN N N 90 118.747 121.666 -2.919 2
1 8 . 1 1 A 3 3 GLN H H 91 8.199 8.408 -0.209 2
1 11 . 1 1 A 3 3 GLN N N 91 120.090 121.552 -1.463 2
1 13 . 1 1 A 4 4 GLU H H 92 8.454 7.996 0.458 2
1 14 . 1 1 A 4 4 GLU N N 92 120.250 120.228 0.022 2
1 15 . 1 1 A 5 5 LEU H H 93 8.410 8.668 -0.258 2
1 16 . 1 1 A 5 5 LEU HA H 93 4.255 4.266 -0.011 2
1 26 . 1 1 A 5 5 LEU CA C 93 58.103 56.916 1.187 2
1 27 . 1 1 A 5 5 LEU CB C 93 42.309 41.609 0.700 2
1 31 . 1 1 A 5 5 LEU N N 93 121.261 124.745 -3.483 2
1 32 . 1 1 A 6 6 ARG H H 94 8.345 8.242 0.103 2
1 33 . 1 1 A 6 6 ARG HA H 94 4.061 4.168 -0.107 2
1 41 . 1 1 A 6 6 ARG CA C 94 60.241 59.057 1.184 2
1 42 . 1 1 A 6 6 ARG CB C 94 30.080 29.899 0.180 2
1 45 . 1 1 A 6 6 ARG N N 94 119.790 119.889 -0.099 2
1 46 . 1 1 A 7 7 GLU H H 95 8.010 8.631 -0.621 2
1 47 . 1 1 A 7 7 GLU HA H 95 4.122 4.110 0.012 2
1 52 . 1 1 A 7 7 GLU CA C 95 59.861 59.363 0.498 2
1 53 . 1 1 A 7 7 GLU CB C 95 28.812 29.423 -0.611 2
1 54 . 1 1 A 7 7 GLU N N 95 118.474 119.236 -0.762 2
1 55 . 1 1 A 8 8 ALA H H 96 8.052 7.917 0.135 2
1 56 . 1 1 A 8 8 ALA HA H 96 4.199 4.225 -0.026 2
1 60 . 1 1 A 8 8 ALA CA C 96 55.174 55.052 0.122 2
1 61 . 1 1 A 8 8 ALA CB C 96 18.502 18.530 -0.028 2
1 62 . 1 1 A 8 8 ALA N N 96 122.505 122.408 0.097 2
1 63 . 1 1 A 9 9 PHE H H 97 8.432 8.203 0.229 2
1 64 . 1 1 A 9 9 PHE HA H 97 3.803 4.000 -0.197 2
1 72 . 1 1 A 9 9 PHE CA C 97 61.732 61.547 0.185 2
1 73 . 1 1 A 9 9 PHE CB C 97 39.537 39.138 0.399 2
1 77 . 1 1 A 9 9 PHE N N 97 117.510 119.795 -2.285 2
1 78 . 1 1 A 10 10 ARG H H 98 7.840 8.364 -0.524 2
1 79 . 1 1 A 10 10 ARG HA H 98 3.955 4.251 -0.296 2
1 86 . 1 1 A 10 10 ARG CA C 98 59.109 58.597 0.512 2
1 87 . 1 1 A 10 10 ARG CB C 98 30.243 29.797 0.445 2
1 90 . 1 1 A 10 10 ARG N N 98 116.256 118.033 -1.777 2
1 91 . 1 1 A 11 11 LEU H H 99 7.578 7.640 -0.062 2
1 92 . 1 1 A 11 11 LEU HA H 99 3.958 4.007 -0.049 2
1 102 . 1 1 A 11 11 LEU CA C 99 57.310 57.074 0.236 2
1 103 . 1 1 A 11 11 LEU CB C 99 41.820 41.739 0.081 2
1 107 . 1 1 A 11 11 LEU N N 99 118.446 119.567 -1.121 2
1 108 . 1 1 A 12 12 TYR H H 100 7.523 7.461 0.062 2
1 109 . 1 1 A 12 12 TYR HA H 100 4.369 4.381 -0.013 2
1 116 . 1 1 A 12 12 TYR CA C 100 59.861 59.474 0.387 2
1 117 . 1 1 A 12 12 TYR CB C 100 39.700 38.988 0.712 2
1 120 . 1 1 A 12 12 TYR N N 100 116.280 116.407 -0.127 2
1 121 . 1 1 A 13 13 ASP H H 101 7.945 7.968 -0.024 2
1 122 . 1 1 A 13 13 ASP HA H 101 4.787 4.413 0.374 2
1 125 . 1 1 A 13 13 ASP CA C 101 52.245 54.083 -1.838 2
1 126 . 1 1 A 13 13 ASP CB C 101 39.537 40.451 -0.914 2
1 127 . 1 1 A 13 13 ASP N N 101 121.756 119.746 2.011 2
1 128 . 1 1 A 14 14 LYS H H 102 7.858 8.228 -0.370 2
1 129 . 1 1 A 14 14 LYS HA H 102 4.033 4.139 -0.106 2
1 138 . 1 1 A 14 14 LYS CA C 102 59.269 58.792 0.477 2
1 139 . 1 1 A 14 14 LYS CB C 102 32.688 32.264 0.424 2
1 143 . 1 1 A 14 14 LYS N N 102 123.213 122.942 0.271 2
1 144 . 1 1 A 15 15 GLU H H 103 8.640 7.857 0.783 2
1 145 . 1 1 A 15 15 GLU HA H 103 4.218 4.440 -0.222 2
1 150 . 1 1 A 15 15 GLU CA C 103 56.981 56.280 0.701 2
1 151 . 1 1 A 15 15 GLU CB C 103 29.753 30.126 -0.373 2
1 153 . 1 1 A 15 15 GLU N N 103 116.301 117.387 -1.086 2
1 154 . 1 1 A 16 16 GLY H H 104 7.824 8.024 -0.200 2
1 155 . 1 1 A 16 16 GLY HA2 H 104 3.724 3.929 -0.205 2
1 156 . 1 1 A 16 16 GLY HA3 H 104 3.855 3.946 -0.091 2
1 157 . 1 1 A 16 16 GLY CA C 104 47.201 45.593 1.608 2
1 158 . 1 1 A 16 16 GLY N N 104 109.341 109.056 0.285 2
1 159 . 1 1 A 17 17 ASN H H 105 9.620 8.498 1.122 2
1 160 . 1 1 A 17 17 ASN HA H 105 4.562 4.744 -0.182 2
1 165 . 1 1 A 17 17 ASN CA C 105 54.588 53.413 1.175 2
1 166 . 1 1 A 17 17 ASN CB C 105 39.374 38.366 1.008 2
1 167 . 1 1 A 17 17 ASN N N 105 120.357 116.093 4.264 2
1 169 . 1 1 A 18 18 GLY H H 106 10.621 8.810 1.810 2
1 170 . 1 1 A 18 18 GLY HA2 H 106 3.650 3.883 -0.233 2
1 171 . 1 1 A 18 18 GLY HA3 H 106 4.265 4.021 0.244 2
1 172 . 1 1 A 18 18 GLY CA C 106 45.733 45.601 0.132 2
1 173 . 1 1 A 18 18 GLY N N 106 111.026 107.446 3.580 2
1 174 . 1 1 A 19 19 TYR H H 107 7.300 7.800 -0.500 2
1 175 . 1 1 A 19 19 TYR HA H 107 5.472 5.253 0.219 2
1 182 . 1 1 A 19 19 TYR CA C 107 56.346 56.894 -0.548 2
1 183 . 1 1 A 19 19 TYR CB C 107 40.841 39.724 1.117 2
1 186 . 1 1 A 19 19 TYR N N 107 115.597 118.555 -2.958 2
1 187 . 1 1 A 20 20 ILE H H 108 8.866 8.741 0.125 2
1 188 . 1 1 A 20 20 ILE HA H 108 4.778 4.611 0.167 2
1 198 . 1 1 A 20 20 ILE CA C 108 59.275 59.755 -0.480 2
1 199 . 1 1 A 20 20 ILE CB C 108 42.635 39.971 2.664 2
1 203 . 1 1 A 20 20 ILE N N 108 113.436 120.213 -6.777 2
1 204 . 1 1 A 21 21 SER H H 109 8.620 8.666 -0.046 2
1 205 . 1 1 A 21 21 SER HA H 109 5.058 4.777 0.281 2
1 208 . 1 1 A 21 21 SER CA C 109 57.756 59.279 -1.523 2
1 209 . 1 1 A 21 21 SER CB C 109 63.883 63.519 0.364 2
1 210 . 1 1 A 21 21 SER N N 109 117.553 120.738 -3.185 2
1 211 . 1 1 A 22 22 THR H H 110 8.354 9.046 -0.692 2
1 212 . 1 1 A 22 22 THR HA H 110 3.801 3.999 -0.198 2
1 217 . 1 1 A 22 22 THR CA C 110 65.633 65.490 0.143 2
1 218 . 1 1 A 22 22 THR CB C 110 67.909 68.307 -0.398 2
1 220 . 1 1 A 22 22 THR N N 110 114.232 119.257 -5.025 2
1 221 . 1 1 A 23 23 ASP H H 111 8.177 8.064 0.113 2
1 222 . 1 1 A 23 23 ASP HA H 111 4.392 4.306 0.086 2
1 225 . 1 1 A 23 23 ASP CA C 111 57.779 57.446 0.333 2
1 226 . 1 1 A 23 23 ASP CB C 111 40.352 41.173 -0.821 2
1 227 . 1 1 A 23 23 ASP N N 111 120.992 122.159 -1.167 2
1 228 . 1 1 A 24 24 VAL H H 112 7.504 8.033 -0.529 2
1 229 . 1 1 A 24 24 VAL HA H 112 3.744 3.581 0.163 2
1 237 . 1 1 A 24 24 VAL CA C 112 65.719 66.315 -0.596 2
1 238 . 1 1 A 24 24 VAL CB C 112 31.741 31.317 0.424 2
1 241 . 1 1 A 24 24 VAL N N 112 122.123 119.627 2.496 2
1 242 . 1 1 A 25 25 MET H H 113 7.984 8.008 -0.024 2
1 243 . 1 1 A 25 25 MET HA H 113 4.069 4.100 -0.031 2
1 251 . 1 1 A 25 25 MET CA C 113 58.552 58.312 0.240 2
1 252 . 1 1 A 25 25 MET CB C 113 33.504 31.910 1.594 2
1 255 . 1 1 A 25 25 MET N N 113 119.521 119.955 -0.434 2
1 256 . 1 1 A 26 26 ARG H H 114 8.190 7.776 0.414 2
1 257 . 1 1 A 26 26 ARG HA H 114 3.745 4.042 -0.297 2
1 265 . 1 1 A 26 26 ARG CA C 114 60.747 59.348 1.399 2
1 266 . 1 1 A 26 26 ARG CB C 114 29.398 29.882 -0.484 2
1 269 . 1 1 A 26 26 ARG N N 114 117.832 118.975 -1.143 2
1 270 . 1 1 A 27 27 GLU H H 115 7.265 7.741 -0.476 2
1 271 . 1 1 A 27 27 GLU HA H 115 4.010 4.132 -0.122 2
1 276 . 1 1 A 27 27 GLU CA C 115 59.435 59.030 0.405 2
1 277 . 1 1 A 27 27 GLU N N 115 117.949 119.312 -1.364 2
1 278 . 1 1 A 28 28 ILE H H 116 8.074 7.907 0.167 2
1 279 . 1 1 A 28 28 ILE HA H 116 3.622 3.600 0.022 2
1 289 . 1 1 A 28 28 ILE CA C 116 65.633 65.565 0.068 2
1 290 . 1 1 A 28 28 ILE CB C 116 38.771 37.873 0.898 2
1 294 . 1 1 A 28 28 ILE N N 116 120.582 120.441 0.141 2
1 295 . 1 1 A 29 29 LEU H H 117 8.183 8.224 -0.041 2
1 296 . 1 1 A 29 29 LEU HA H 117 3.901 4.023 -0.122 2
1 306 . 1 1 A 29 29 LEU CA C 117 58.103 57.866 0.237 2
1 307 . 1 1 A 29 29 LEU CB C 117 42.286 40.996 1.290 2
1 311 . 1 1 A 29 29 LEU N N 117 118.919 118.856 0.062 2
1 312 . 1 1 A 30 30 ALA H H 118 7.920 7.903 0.017 2
1 313 . 1 1 A 30 30 ALA HA H 118 4.131 4.093 0.038 2
1 317 . 1 1 A 30 30 ALA CA C 118 54.588 54.812 -0.224 2
1 318 . 1 1 A 30 30 ALA CB C 118 18.992 18.097 0.895 2
1 319 . 1 1 A 30 30 ALA N N 118 119.224 121.808 -2.584 2
1 320 . 1 1 A 31 31 GLU H H 119 7.553 7.780 -0.227 2
1 321 . 1 1 A 31 31 GLU HA H 119 4.103 4.182 -0.079 2
1 326 . 1 1 A 31 31 GLU CA C 119 58.126 58.372 -0.246 2
1 327 . 1 1 A 31 31 GLU CB C 119 30.080 29.650 0.430 2
1 328 . 1 1 A 31 31 GLU N N 119 116.043 117.485 -1.442 2
1 329 . 1 1 A 32 32 LEU H H 120 7.774 7.956 -0.182 2
1 330 . 1 1 A 32 32 LEU HA H 120 4.195 4.162 0.033 2
1 340 . 1 1 A 32 32 LEU CA C 120 56.946 57.719 -0.773 2
1 341 . 1 1 A 32 32 LEU CB C 120 42.961 42.267 0.694 2
1 345 . 1 1 A 32 32 LEU N N 120 119.210 121.032 -1.822 2
1 346 . 1 1 A 33 33 ASP H H 121 7.796 8.124 -0.328 2
1 347 . 1 1 A 33 33 ASP HA H 121 4.735 4.848 -0.113 2
1 350 . 1 1 A 33 33 ASP CA C 121 53.409 53.369 0.040 2
1 351 . 1 1 A 33 33 ASP CB C 121 41.168 42.837 -1.669 2
1 352 . 1 1 A 33 33 ASP N N 121 117.407 118.995 -1.587 2
1 353 . 1 1 A 34 34 GLU H H 122 8.884 8.798 0.086 2
1 354 . 1 1 A 34 34 GLU HA H 122 4.463 4.479 -0.016 2
1 359 . 1 1 A 34 34 GLU CA C 122 57.967 56.976 0.991 2
1 360 . 1 1 A 34 34 GLU CB C 122 29.753 30.149 -0.396 2
1 362 . 1 1 A 34 34 GLU N N 122 123.975 123.167 0.808 2
1 363 . 1 1 A 35 35 THR H H 123 8.608 8.099 0.509 2
1 364 . 1 1 A 35 35 THR HA H 123 4.347 4.432 -0.085 2
1 369 . 1 1 A 35 35 THR CA C 123 62.804 62.257 0.547 2
1 370 . 1 1 A 35 35 THR CB C 123 69.406 69.853 -0.447 2
1 372 . 1 1 A 35 35 THR N N 123 111.220 111.059 0.160 2
1 373 . 1 1 A 36 36 LEU H H 124 7.104 7.556 -0.452 2
1 374 . 1 1 A 36 36 LEU HA H 124 4.461 4.445 0.016 2
1 384 . 1 1 A 36 36 LEU CA C 124 55.174 54.209 0.965 2
1 385 . 1 1 A 36 36 LEU CB C 124 42.635 42.921 -0.286 2
1 389 . 1 1 A 36 36 LEU N N 124 122.774 122.558 0.216 2
1 390 . 1 1 A 37 37 SER H H 125 9.468 9.096 0.372 2
1 391 . 1 1 A 37 37 SER HA H 125 4.594 4.686 -0.091 2
1 394 . 1 1 A 37 37 SER CA C 125 56.932 57.437 -0.505 2
1 395 . 1 1 A 37 37 SER CB C 125 66.119 65.034 1.085 2
1 396 . 1 1 A 37 37 SER N N 125 121.762 118.619 3.143 2
1 397 . 1 1 A 38 38 SER H H 126 8.970 8.983 -0.013 2
1 398 . 1 1 A 38 38 SER HA H 126 3.925 4.126 -0.201 2
1 401 . 1 1 A 38 38 SER CA C 126 63.004 61.756 1.248 2
1 402 . 1 1 A 38 38 SER CB C 126 62.364 62.991 -0.627 2
1 403 . 1 1 A 38 38 SER N N 126 116.391 119.002 -2.611 2
1 404 . 1 1 A 39 39 GLU H H 127 8.468 8.108 0.360 2
1 405 . 1 1 A 39 39 GLU HA H 127 4.125 4.049 0.076 2
1 410 . 1 1 A 39 39 GLU CA C 127 60.082 59.340 0.742 2
1 411 . 1 1 A 39 39 GLU CB C 127 29.427 29.197 0.230 2
1 413 . 1 1 A 39 39 GLU N N 127 119.790 121.967 -2.177 2
1 414 . 1 1 A 40 40 ASP H H 128 7.981 8.088 -0.107 2
1 415 . 1 1 A 40 40 ASP HA H 128 4.414 4.411 0.003 2
1 418 . 1 1 A 40 40 ASP CA C 128 57.473 57.297 0.176 2
1 419 . 1 1 A 40 40 ASP CB C 128 41.331 40.779 0.552 2
1 420 . 1 1 A 40 40 ASP N N 128 122.463 120.409 2.054 2
1 421 . 1 1 A 41 41 LEU H H 129 8.289 7.969 0.320 2
1 422 . 1 1 A 41 41 LEU HA H 129 4.019 3.994 0.025 2
1 432 . 1 1 A 41 41 LEU CA C 129 58.603 57.972 0.631 2
1 433 . 1 1 A 41 41 LEU CB C 129 42.146 41.336 0.810 2
1 437 . 1 1 A 41 41 LEU N N 129 121.708 120.389 1.319 2
1 438 . 1 1 A 42 42 ASP H H 130 8.353 8.421 -0.068 2
1 439 . 1 1 A 42 42 ASP HA H 130 4.225 4.323 -0.098 2
1 442 . 1 1 A 42 42 ASP CA C 130 57.797 57.822 -0.025 2
1 443 . 1 1 A 42 42 ASP CB C 130 40.352 41.541 -1.190 2
1 444 . 1 1 A 42 42 ASP N N 130 119.133 119.587 -0.454 2
1 445 . 1 1 A 43 43 ALA H H 131 7.675 7.978 -0.303 2
1 446 . 1 1 A 43 43 ALA HA H 131 4.196 4.074 0.122 2
1 450 . 1 1 A 43 43 ALA CA C 131 55.002 55.168 -0.166 2
1 451 . 1 1 A 43 43 ALA CB C 131 18.267 18.178 0.089 2
1 452 . 1 1 A 43 43 ALA N N 131 121.142 121.450 -0.308 2
1 453 . 1 1 A 44 44 MET H H 132 8.039 8.043 -0.004 2
1 454 . 1 1 A 44 44 MET HA H 132 4.153 4.245 -0.092 2
1 462 . 1 1 A 44 44 MET CA C 132 59.435 58.210 1.225 2
1 463 . 1 1 A 44 44 MET CB C 132 33.830 32.770 1.060 2
1 466 . 1 1 A 44 44 MET N N 132 118.616 116.274 2.342 2
1 467 . 1 1 A 45 45 ILE H H 133 8.322 8.235 0.087 2
1 468 . 1 1 A 45 45 ILE HA H 133 3.718 3.837 -0.119 2
1 478 . 1 1 A 45 45 ILE CA C 133 62.804 64.375 -1.571 2
1 479 . 1 1 A 45 45 ILE CB C 133 35.787 36.758 -0.971 2
1 483 . 1 1 A 45 45 ILE N N 133 119.464 119.449 0.015 2
1 484 . 1 1 A 46 46 ASP H H 134 7.995 8.392 -0.396 2
1 485 . 1 1 A 46 46 ASP HA H 134 4.340 4.507 -0.167 2
1 488 . 1 1 A 46 46 ASP CA C 134 57.317 56.853 0.464 2
1 489 . 1 1 A 46 46 ASP CB C 134 41.005 41.723 -0.718 2
1 490 . 1 1 A 47 47 GLU H H 135 7.371 7.899 -0.528 2
1 491 . 1 1 A 47 47 GLU HA H 135 4.106 4.335 -0.229 2
1 496 . 1 1 A 47 47 GLU CA C 135 58.543 57.299 1.244 2
1 497 . 1 1 A 47 47 GLU CB C 135 29.916 29.928 -0.012 2
1 499 . 1 1 A 47 47 GLU N N 135 116.443 117.162 -0.719 2
1 500 . 1 1 A 48 48 ILE H H 136 8.523 7.801 0.722 2
1 501 . 1 1 A 48 48 ILE HA H 136 4.000 4.084 -0.084 2
1 511 . 1 1 A 48 48 ILE CA C 136 63.676 63.064 0.612 2
1 512 . 1 1 A 48 48 ILE CB C 136 39.357 38.701 0.656 2
1 516 . 1 1 A 48 48 ILE N N 136 121.250 119.818 1.432 2
1 517 . 1 1 A 49 49 ASP H H 137 7.840 8.049 -0.209 2
1 518 . 1 1 A 49 49 ASP HA H 137 5.106 4.512 0.594 2
1 521 . 1 1 A 49 49 ASP CA C 137 52.581 54.905 -2.324 2
1 522 . 1 1 A 49 49 ASP CB C 137 40.189 40.754 -0.565 2
1 523 . 1 1 A 49 49 ASP N N 137 117.820 121.260 -3.440 2
1 524 . 1 1 A 50 50 ALA H H 138 7.846 8.463 -0.617 2
1 525 . 1 1 A 50 50 ALA HA H 138 4.181 4.535 -0.354 2
1 529 . 1 1 A 50 50 ALA CA C 138 55.346 52.110 3.236 2
1 530 . 1 1 A 50 50 ALA CB C 138 19.318 19.433 -0.115 2
1 531 . 1 1 A 50 50 ALA N N 138 125.638 125.792 -0.154 2
1 532 . 1 1 A 51 51 ASP H H 139 8.485 8.305 0.180 2
1 533 . 1 1 A 51 51 ASP HA H 139 4.653 4.700 -0.047 2
1 536 . 1 1 A 51 51 ASP CB C 139 40.841 41.732 -0.891 2
1 537 . 1 1 A 51 51 ASP N N 139 113.885 117.060 -3.175 2
1 538 . 1 1 A 52 52 GLY H H 140 7.900 8.010 -0.110 2
1 539 . 1 1 A 52 52 GLY HA2 H 140 3.845 3.942 -0.097 2
1 540 . 1 1 A 52 52 GLY HA3 H 140 3.845 3.971 -0.126 2
1 541 . 1 1 A 52 52 GLY CA C 140 47.527 45.960 1.567 2
1 542 . 1 1 A 52 52 GLY N N 140 113.060 107.688 5.372 2
1 543 . 1 1 A 53 53 SER H H 141 9.150 8.653 0.497 2
1 544 . 1 1 A 53 53 SER HA H 141 4.227 4.298 -0.071 2
1 547 . 1 1 A 53 53 SER CA C 141 60.461 58.764 1.697 2
1 548 . 1 1 A 53 53 SER CB C 141 64.645 61.868 2.776 2
1 549 . 1 1 A 53 53 SER N N 141 117.771 115.726 2.045 2
1 550 . 1 1 A 54 54 GLY H H 142 10.554 8.303 2.251 2
1 551 . 1 1 A 54 54 GLY HA2 H 142 3.781 3.998 -0.217 2
1 552 . 1 1 A 54 54 GLY HA3 H 142 4.210 4.002 0.208 2
1 553 . 1 1 A 54 54 GLY CA C 142 46.222 46.242 -0.020 2
1 554 . 1 1 A 54 54 GLY N N 142 115.432 107.974 7.458 2
1 555 . 1 1 A 55 55 THR H H 143 7.940 7.669 0.271 2
1 556 . 1 1 A 55 55 THR HA H 143 5.081 4.931 0.150 2
1 561 . 1 1 A 55 55 THR CA C 143 59.861 60.542 -0.681 2
1 562 . 1 1 A 55 55 THR CB C 143 72.835 70.532 2.303 2
1 564 . 1 1 A 55 55 THR N N 143 110.471 111.327 -0.856 2
1 565 . 1 1 A 56 56 VAL H H 144 9.090 9.061 0.029 2
1 566 . 1 1 A 56 56 VAL HA H 144 4.553 4.475 0.078 2
1 574 . 1 1 A 56 56 VAL CA C 144 61.032 62.087 -1.055 2
1 575 . 1 1 A 56 56 VAL CB C 144 35.256 32.956 2.300 2
1 578 . 1 1 A 56 56 VAL N N 144 119.565 126.214 -6.649 2
1 579 . 1 1 A 57 57 ASP H H 145 8.870 8.757 0.113 2
1 580 . 1 1 A 57 57 ASP HA H 145 5.088 5.027 0.061 2
1 583 . 1 1 A 57 57 ASP CA C 145 53.231 52.809 0.422 2
1 584 . 1 1 A 57 57 ASP CB C 145 42.146 41.715 0.431 2
1 585 . 1 1 A 57 57 ASP N N 145 126.198 127.944 -1.746 2
1 586 . 1 1 A 58 58 PHE H H 146 8.223 8.614 -0.391 2
1 587 . 1 1 A 58 58 PHE HA H 146 3.538 3.846 -0.308 2
1 595 . 1 1 A 58 58 PHE CA C 146 61.718 60.784 0.934 2
1 596 . 1 1 A 58 58 PHE CB C 146 39.211 38.576 0.635 2
1 600 . 1 1 A 59 59 GLU H H 147 8.347 8.273 0.074 2
1 601 . 1 1 A 59 59 GLU HA H 147 3.746 3.969 -0.223 2
1 606 . 1 1 A 59 59 GLU CA C 147 60.061 59.136 0.925 2
1 607 . 1 1 A 59 59 GLU CB C 147 29.101 28.988 0.113 2
1 609 . 1 1 A 59 59 GLU N N 147 118.710 118.878 -0.168 2
1 610 . 1 1 A 60 60 GLU H H 148 8.380 7.978 0.402 2
1 611 . 1 1 A 60 60 GLU HA H 148 4.037 4.075 -0.038 2
1 616 . 1 1 A 60 60 GLU CA C 148 59.920 59.175 0.745 2
1 617 . 1 1 A 60 60 GLU CB C 148 30.080 29.526 0.554 2
1 618 . 1 1 A 60 60 GLU N N 148 121.774 119.695 2.079 2
1 619 . 1 1 A 61 61 PHE H H 149 8.421 8.300 0.121 2
1 620 . 1 1 A 61 61 PHE HA H 149 4.083 4.258 -0.175 2
1 628 . 1 1 A 61 61 PHE CA C 149 61.232 60.123 1.109 2
1 629 . 1 1 A 61 61 PHE CB C 149 39.863 38.770 1.093 2
1 633 . 1 1 A 61 61 PHE N N 149 121.039 121.006 0.033 2
1 634 . 1 1 A 62 62 MET H H 150 8.446 8.392 0.054 2
1 635 . 1 1 A 62 62 MET HA H 150 3.857 4.098 -0.241 2
1 643 . 1 1 A 62 62 MET CA C 150 57.310 57.860 -0.550 2
1 644 . 1 1 A 62 62 MET CB C 150 31.221 32.418 -1.197 2
1 647 . 1 1 A 62 62 MET N N 150 117.673 118.697 -1.024 2
1 648 . 1 1 A 63 63 GLY H H 151 7.889 8.277 -0.388 2
1 649 . 1 1 A 63 63 GLY HA2 H 151 3.774 3.706 0.068 2
1 650 . 1 1 A 63 63 GLY HA3 H 151 3.871 3.717 0.154 2
1 651 . 1 1 A 63 63 GLY CA C 151 47.038 47.134 -0.096 2
1 652 . 1 1 A 63 63 GLY N N 151 107.497 107.791 -0.294 2
1 653 . 1 1 A 64 64 VAL H H 152 7.571 7.866 -0.295 2
1 654 . 1 1 A 64 64 VAL HA H 152 3.937 3.795 0.142 2
1 662 . 1 1 A 64 64 VAL CA C 152 64.547 65.092 -0.545 2
1 663 . 1 1 A 64 64 VAL CB C 152 32.362 31.660 0.702 2
1 666 . 1 1 A 64 64 VAL N N 152 119.340 121.401 -2.061 2
1 667 . 1 1 A 65 65 MET H H 153 7.773 7.645 0.128 2
1 668 . 1 1 A 65 65 MET HA H 153 4.367 4.320 0.047 2
1 676 . 1 1 A 65 65 MET CA C 153 55.874 56.477 -0.603 2
1 677 . 1 1 A 65 65 MET CB C 153 32.525 32.966 -0.441 2
1 680 . 1 1 A 65 65 MET N N 153 117.775 119.078 -1.303 2
1 681 . 1 1 A 66 66 THR H H 154 7.789 8.149 -0.360 2
1 682 . 1 1 A 66 66 THR HA H 154 4.403 4.339 0.064 2
1 687 . 1 1 A 66 66 THR CA C 154 62.204 62.292 -0.088 2
1 688 . 1 1 A 66 66 THR CB C 154 70.577 68.509 2.068 2
1 690 . 1 1 A 66 66 THR N N 154 110.197 112.170 -1.973 2
1 691 . 1 1 A 67 67 GLY H H 155 7.961 8.229 -0.268 2
1 692 . 1 1 A 67 67 GLY HA2 H 155 4.017 3.922 0.095 2
1 693 . 1 1 A 67 67 GLY HA3 H 155 4.017 3.926 0.091 2
1 694 . 1 1 A 67 67 GLY CA C 155 45.896 46.149 -0.253 2
1 695 . 1 1 A 67 67 GLY N N 155 110.658 110.627 0.031 2
1 696 . 1 1 A 68 68 GLY H H 156 8.313 8.212 0.101 2
1 697 . 1 1 A 68 68 GLY HA2 H 156 3.990 4.042 -0.052 2
1 698 . 1 1 A 68 68 GLY HA3 H 156 3.990 4.045 -0.055 2
1 699 . 1 1 A 68 68 GLY CA C 156 45.407 45.355 0.053 2
1 700 . 1 1 A 68 68 GLY N N 156 108.792 110.151 -1.359 2
1 701 . 1 1 A 69 69 ASP H H 157 8.290 8.050 0.240 2
1 702 . 1 1 A 69 69 ASP HA H 157 4.666 4.820 -0.154 2
1 705 . 1 1 A 69 69 ASP CA C 157 54.588 53.433 1.155 2
1 706 . 1 1 A 69 69 ASP CB C 157 41.700 42.075 -0.375 2
1 707 . 1 1 A 69 69 ASP N N 157 120.766 120.811 -0.045 2
stop_
save_