data_15765_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15765
_Entry.PDB_ID 2K3V
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 ASP HA H 2 4.450 5.073 -0.623 1
1 2 . 1 1 1 A 3 3 GLU H H 3 8.214 8.640 -0.426 1
1 3 . 1 1 1 A 3 3 GLU HA H 3 4.213 4.823 -0.610 1
1 8 . 1 1 1 A 4 4 THR H H 4 8.208 8.639 -0.431 1
1 9 . 1 1 1 A 4 4 THR HA H 4 4.367 4.836 -0.469 1
1 14 . 1 1 1 A 5 5 LEU H H 5 8.068 8.826 -0.758 1
1 15 . 1 1 1 A 5 5 LEU HA H 5 3.094 4.206 -1.112 1
1 25 . 1 1 1 A 6 6 ALA H H 6 7.938 8.258 -0.320 1
1 26 . 1 1 1 A 6 6 ALA HA H 6 2.662 3.915 -1.253 1
1 30 . 1 1 1 A 7 7 GLU H H 7 6.938 7.946 -1.008 1
1 31 . 1 1 1 A 7 7 GLU HA H 7 3.273 4.112 -0.839 1
1 36 . 1 1 1 A 8 8 PHE H H 8 7.568 8.245 -0.677 1
1 37 . 1 1 1 A 8 8 PHE HA H 8 3.752 4.133 -0.381 1
1 45 . 1 1 1 A 9 9 HIS H H 9 6.505 8.030 -1.525 1
1 46 . 1 1 1 A 9 9 HIS HA H 9 2.781 4.180 -1.399 1
1 52 . 1 1 1 A 10 10 VAL H H 10 8.569 8.392 0.177 1
1 53 . 1 1 1 A 10 10 VAL HA H 10 3.499 3.454 0.045 1
1 61 . 1 1 1 A 11 11 GLU H H 11 7.185 8.536 -1.351 1
1 62 . 1 1 1 A 11 11 GLU HA H 11 3.843 4.045 -0.202 1
1 67 . 1 1 1 A 12 12 MET H H 12 6.578 7.851 -1.273 1
1 68 . 1 1 1 A 12 12 MET HA H 12 4.240 4.464 -0.224 1
1 75 . 1 1 1 A 13 13 GLY H H 13 7.583 8.480 -0.897 1
1 76 . 1 1 1 A 13 13 GLY HA2 H 13 4.459 4.125 0.334 1
1 77 . 1 1 1 A 13 13 GLY HA3 H 13 3.916 4.128 -0.212 1
1 78 . 1 1 1 A 14 14 GLY H H 14 8.818 7.477 1.341 1
1 79 . 1 1 1 A 14 14 GLY HA2 H 14 4.646 4.129 0.517 1
1 80 . 1 1 1 A 14 14 GLY HA3 H 14 4.203 4.130 0.073 1
1 81 . 1 1 1 A 15 15 CYS H H 15 9.211 8.761 0.450 1
1 82 . 1 1 1 A 15 15 CYS HA H 15 5.103 4.448 0.655 1
1 85 . 1 1 1 A 16 16 GLU H H 16 9.687 7.949 1.738 1
1 86 . 1 1 1 A 16 16 GLU HA H 16 4.684 4.780 -0.096 1
1 91 . 1 1 1 A 17 17 ASN H H 17 7.564 7.802 -0.238 1
1 92 . 1 1 1 A 17 17 ASN HA H 17 4.312 4.495 -0.183 1
1 96 . 1 1 1 A 18 18 CYS H H 18 6.420 7.690 -1.270 1
1 97 . 1 1 1 A 18 18 CYS HA H 18 4.663 4.424 0.239 1
1 100 . 1 1 1 A 19 19 HIS H H 19 6.637 7.583 -0.946 1
1 101 . 1 1 1 A 19 19 HIS HA H 19 3.768 5.243 -1.475 1
1 107 . 1 1 1 A 20 20 ALA H H 20 7.669 8.832 -1.163 1
1 108 . 1 1 1 A 20 20 ALA HA H 20 3.596 4.700 -1.104 1
1 112 . 1 1 1 A 21 21 ASP H H 21 9.152 9.445 -0.293 1
1 113 . 1 1 1 A 21 21 ASP HA H 21 4.059 4.304 -0.245 1
1 116 . 1 1 1 A 22 22 GLY H H 22 7.497 8.750 -1.253 1
1 117 . 1 1 1 A 22 22 GLY HA2 H 22 3.774 3.929 -0.155 1
1 118 . 1 1 1 A 22 22 GLY HA3 H 22 2.380 3.944 -1.564 1
1 119 . 1 1 1 A 23 23 GLU H H 23 6.896 7.939 -1.043 1
1 120 . 1 1 1 A 23 23 GLU HA H 23 4.029 4.743 -0.714 1
1 125 . 1 1 1 A 24 24 PRO HA H 24 2.264 4.547 -2.283 1
1 132 . 1 1 1 A 25 25 SER H H 25 8.295 8.679 -0.384 1
1 133 . 1 1 1 A 25 25 SER HA H 25 4.243 4.648 -0.405 1
1 135 . 1 1 1 A 26 26 LYS H H 26 8.813 8.950 -0.137 1
1 136 . 1 1 1 A 26 26 LYS HA H 26 4.369 4.624 -0.255 1
1 141 . 1 1 1 A 27 27 ASP H H 27 7.852 8.210 -0.358 1
1 142 . 1 1 1 A 27 27 ASP HA H 27 4.833 4.759 0.074 1
1 145 . 1 1 1 A 28 28 GLY H H 28 8.560 8.020 0.540 1
1 146 . 1 1 1 A 28 28 GLY HA2 H 28 4.397 3.978 0.419 1
1 147 . 1 1 1 A 28 28 GLY HA3 H 28 4.177 4.011 0.166 1
1 148 . 1 1 1 A 29 29 ALA H H 29 8.375 8.325 0.050 1
1 149 . 1 1 1 A 29 29 ALA HA H 29 4.391 4.175 0.216 1
1 153 . 1 1 1 A 30 30 TYR H H 30 8.661 8.624 0.037 1
1 154 . 1 1 1 A 30 30 TYR HA H 30 4.014 4.035 -0.021 1
1 160 . 1 1 1 A 31 31 GLU H H 31 9.525 8.162 1.363 1
1 161 . 1 1 1 A 31 31 GLU HA H 31 4.238 3.836 0.402 1
1 164 . 1 1 1 A 32 32 PHE H H 32 8.247 8.513 -0.266 1
1 165 . 1 1 1 A 32 32 PHE HA H 32 5.401 3.996 1.405 1
1 172 . 1 1 1 A 33 33 GLU H H 33 8.353 8.225 0.128 1
1 173 . 1 1 1 A 33 33 GLU HA H 33 3.763 3.655 0.108 1
1 178 . 1 1 1 A 34 34 GLN H H 34 8.408 8.284 0.124 1
1 179 . 1 1 1 A 34 34 GLN HA H 34 4.288 3.930 0.358 1
1 186 . 1 1 1 A 35 35 CYS H H 35 10.043 7.223 2.820 1
1 187 . 1 1 1 A 35 35 CYS HA H 35 5.048 4.657 0.391 1
1 190 . 1 1 1 A 36 36 GLN H H 36 7.667 7.491 0.176 1
1 191 . 1 1 1 A 36 36 GLN HA H 36 4.122 4.612 -0.490 1
1 197 . 1 1 1 A 37 37 SER H H 37 8.069 8.255 -0.186 1
1 198 . 1 1 1 A 37 37 SER HA H 37 4.104 4.665 -0.561 1
1 200 . 1 1 1 A 38 38 CYS H H 38 6.534 8.573 -2.039 1
1 201 . 1 1 1 A 38 38 CYS HA H 38 4.458 4.156 0.302 1
1 204 . 1 1 1 A 39 39 HIS H H 39 7.195 7.971 -0.776 1
1 205 . 1 1 1 A 39 39 HIS HA H 39 3.167 4.703 -1.536 1
1 211 . 1 1 1 A 40 40 GLY H H 40 7.528 7.564 -0.036 1
1 212 . 1 1 1 A 40 40 GLY HA2 H 40 3.838 4.059 -0.221 1
1 213 . 1 1 1 A 40 40 GLY HA3 H 40 3.336 4.075 -0.739 1
1 214 . 1 1 1 A 41 41 SER H H 41 7.364 8.373 -1.009 1
1 215 . 1 1 1 A 41 41 SER HA H 41 4.332 5.186 -0.854 1
1 218 . 1 1 1 A 42 42 LEU H H 42 8.713 9.095 -0.382 1
1 219 . 1 1 1 A 42 42 LEU HA H 42 3.145 4.116 -0.971 1
1 229 . 1 1 1 A 43 43 ALA H H 43 7.277 7.793 -0.516 1
1 230 . 1 1 1 A 43 43 ALA HA H 43 3.522 4.230 -0.708 1
1 234 . 1 1 1 A 44 44 GLU H H 44 6.953 8.761 -1.808 1
1 235 . 1 1 1 A 44 44 GLU HA H 44 4.001 4.518 -0.517 1
1 239 . 1 1 1 A 45 45 MET H H 45 6.301 7.784 -1.483 1
1 240 . 1 1 1 A 45 45 MET HA H 45 3.491 4.788 -1.297 1
1 248 . 1 1 1 A 46 46 ASP H H 46 6.781 8.639 -1.858 1
1 249 . 1 1 1 A 46 46 ASP HA H 46 3.893 4.713 -0.820 1
1 252 . 1 1 1 A 47 47 ASP H H 47 7.863 8.944 -1.081 1
1 253 . 1 1 1 A 47 47 ASP HA H 47 3.940 4.759 -0.819 1
1 256 . 1 1 1 A 48 48 ASN H H 48 7.316 8.085 -0.769 1
1 257 . 1 1 1 A 48 48 ASN HA H 48 4.186 4.759 -0.573 1
1 262 . 1 1 1 A 49 49 HIS H H 49 6.197 8.150 -1.953 1
1 263 . 1 1 1 A 49 49 HIS HA H 49 1.562 4.514 -2.952 1
1 269 . 1 1 1 A 50 50 LYS H H 50 7.161 7.899 -0.738 1
1 270 . 1 1 1 A 50 50 LYS HA H 50 3.125 3.984 -0.859 1
1 276 . 1 1 1 A 51 51 PRO HA H 51 3.694 4.156 -0.462 1
1 283 . 1 1 1 A 52 52 HIS H H 52 6.170 7.582 -1.412 1
1 284 . 1 1 1 A 52 52 HIS HA H 52 2.763 4.265 -1.502 1
1 290 . 1 1 1 A 53 53 ASP H H 53 6.870 8.615 -1.745 1
1 291 . 1 1 1 A 53 53 ASP HA H 53 4.033 4.281 -0.248 1
1 294 . 1 1 1 A 54 54 GLY H H 54 8.685 8.788 -0.103 1
1 295 . 1 1 1 A 54 54 GLY HA2 H 54 4.253 4.000 0.253 1
1 296 . 1 1 1 A 54 54 GLY HA3 H 54 3.660 4.022 -0.362 1
1 297 . 1 1 1 A 55 55 LEU H H 55 7.965 7.905 0.060 1
1 298 . 1 1 1 A 55 55 LEU HA H 55 4.636 4.529 0.107 1
1 307 . 1 1 1 A 56 56 LEU H H 56 7.090 7.770 -0.680 1
1 308 . 1 1 1 A 56 56 LEU HA H 56 4.894 4.894 0.000 1
1 318 . 1 1 1 A 57 57 MET H H 57 9.052 8.635 0.417 1
1 319 . 1 1 1 A 57 57 MET HA H 57 4.032 4.207 -0.175 1
1 323 . 1 1 1 A 58 58 CYS H H 58 7.800 8.955 -1.155 1
1 324 . 1 1 1 A 58 58 CYS HA H 58 5.550 4.235 1.315 1
1 327 . 1 1 1 A 59 59 ALA H H 59 9.149 8.191 0.958 1
1 328 . 1 1 1 A 59 59 ALA HA H 59 4.072 4.106 -0.034 1
1 332 . 1 1 1 A 60 60 ASP H H 60 7.878 8.269 -0.391 1
1 333 . 1 1 1 A 60 60 ASP HA H 60 4.543 4.298 0.245 1
1 336 . 1 1 1 A 61 61 CYS H H 61 6.557 8.979 -2.422 1
1 337 . 1 1 1 A 61 61 CYS HA H 61 4.728 4.410 0.318 1
1 340 . 1 1 1 A 62 62 HIS H H 62 7.267 9.018 -1.751 1
1 341 . 1 1 1 A 62 62 HIS HA H 62 3.031 4.722 -1.691 1
1 347 . 1 1 1 A 63 63 ALA H H 63 7.251 7.278 -0.027 1
1 348 . 1 1 1 A 63 63 ALA HA H 63 4.202 4.086 0.116 1
1 352 . 1 1 1 A 64 64 PRO HA H 64 3.270 4.308 -1.038 1
1 359 . 1 1 1 A 65 65 HIS H H 65 7.148 8.199 -1.051 1
1 360 . 1 1 1 A 65 65 HIS HA H 65 2.937 4.725 -1.788 1
1 366 . 1 1 1 A 66 66 GLU H H 66 7.113 8.474 -1.361 1
1 367 . 1 1 1 A 66 66 GLU HA H 66 3.936 4.460 -0.524 1
1 371 . 1 1 1 A 67 67 ALA H H 67 7.983 8.698 -0.715 1
1 372 . 1 1 1 A 67 67 ALA HA H 67 3.852 4.358 -0.506 1
1 376 . 1 1 1 A 68 68 LYS H H 68 7.981 8.724 -0.743 1
1 377 . 1 1 1 A 68 68 LYS HA H 68 4.293 4.857 -0.564 1
1 382 . 1 1 1 A 69 69 VAL H H 69 7.859 8.412 -0.553 1
1 383 . 1 1 1 A 69 69 VAL HA H 69 3.207 3.359 -0.152 1
1 391 . 1 1 1 A 70 70 GLY H H 70 8.901 8.775 0.126 1
1 392 . 1 1 1 A 70 70 GLY HA2 H 70 4.234 3.857 0.377 1
1 393 . 1 1 1 A 70 70 GLY HA3 H 70 3.817 3.857 -0.040 1
1 394 . 1 1 1 A 71 71 GLU H H 71 7.596 7.695 -0.099 1
1 395 . 1 1 1 A 71 71 GLU HA H 71 4.437 4.739 -0.302 1
1 398 . 1 1 1 A 72 72 LYS H H 72 8.483 8.482 0.001 1
1 399 . 1 1 1 A 72 72 LYS HA H 72 4.571 4.545 0.026 1
1 402 . 1 1 1 A 73 73 PRO HA H 73 4.419 4.422 -0.003 1
1 409 . 1 1 1 A 74 74 THR H H 74 8.511 8.289 0.222 1
1 410 . 1 1 1 A 74 74 THR HA H 74 5.336 4.682 0.654 1
1 415 . 1 1 1 A 75 75 CYS H H 75 8.998 9.260 -0.262 1
1 416 . 1 1 1 A 75 75 CYS HA H 75 5.967 4.220 1.747 1
1 419 . 1 1 1 A 76 76 ASP H H 76 8.504 8.304 0.200 1
1 420 . 1 1 1 A 76 76 ASP HA H 76 4.565 4.885 -0.320 1
1 422 . 1 1 1 A 77 77 THR H H 77 7.809 7.831 -0.022 1
1 423 . 1 1 1 A 77 77 THR HA H 77 3.983 4.317 -0.334 1
1 428 . 1 1 1 A 78 78 CYS H H 78 6.634 7.900 -1.266 1
1 429 . 1 1 1 A 78 78 CYS HA H 78 4.427 4.544 -0.117 1
1 432 . 1 1 1 A 79 79 HIS H H 79 7.043 8.706 -1.663 1
1 433 . 1 1 1 A 79 79 HIS HA H 79 3.437 4.685 -1.248 1
1 439 . 1 1 1 A 80 80 ASP H H 80 7.826 8.898 -1.072 1
1 440 . 1 1 1 A 80 80 ASP HA H 80 4.464 5.028 -0.564 1
1 443 . 1 1 1 A 81 81 ASP H H 81 7.139 8.336 -1.197 1
1 444 . 1 1 1 A 81 81 ASP HA H 81 4.321 4.782 -0.461 1
1 447 . 1 1 1 A 82 82 GLY H H 82 8.545 8.098 0.447 1
1 448 . 1 1 1 A 82 82 GLY HA2 H 82 3.871 3.941 -0.070 1
1 449 . 1 1 1 A 82 82 GLY HA3 H 82 3.534 3.947 -0.413 1
1 450 . 1 1 1 A 83 83 ARG H H 83 6.845 7.616 -0.771 1
1 451 . 1 1 1 A 83 83 ARG HA H 83 4.250 4.248 0.002 1
1 459 . 1 1 1 A 84 84 THR H H 84 8.063 8.565 -0.502 1
1 460 . 1 1 1 A 84 84 THR HA H 84 5.059 5.116 -0.057 1
1 465 . 1 1 1 A 85 85 ALA H H 85 8.904 8.556 0.348 1
1 466 . 1 1 1 A 85 85 ALA HA H 85 4.736 4.493 0.243 1
1 1 . 2 1 1 A 2 2 ASP HA H 2 4.450 5.106 -0.656 1
1 2 . 2 1 1 A 3 3 GLU H H 3 8.214 8.558 -0.344 1
1 3 . 2 1 1 A 3 3 GLU HA H 3 4.213 4.298 -0.085 1
1 8 . 2 1 1 A 4 4 THR H H 4 8.208 8.622 -0.414 1
1 9 . 2 1 1 A 4 4 THR HA H 4 4.367 4.779 -0.412 1
1 14 . 2 1 1 A 5 5 LEU H H 5 8.068 8.434 -0.366 1
1 15 . 2 1 1 A 5 5 LEU HA H 5 3.094 4.206 -1.112 1
1 25 . 2 1 1 A 6 6 ALA H H 6 7.938 8.087 -0.149 1
1 26 . 2 1 1 A 6 6 ALA HA H 6 2.662 3.916 -1.254 1
1 30 . 2 1 1 A 7 7 GLU H H 7 6.938 7.683 -0.745 1
1 31 . 2 1 1 A 7 7 GLU HA H 7 3.273 4.046 -0.773 1
1 36 . 2 1 1 A 8 8 PHE H H 8 7.568 8.316 -0.748 1
1 37 . 2 1 1 A 8 8 PHE HA H 8 3.752 4.088 -0.336 1
1 45 . 2 1 1 A 9 9 HIS H H 9 6.505 8.004 -1.499 1
1 46 . 2 1 1 A 9 9 HIS HA H 9 2.781 4.187 -1.406 1
1 52 . 2 1 1 A 10 10 VAL H H 10 8.569 8.531 0.038 1
1 53 . 2 1 1 A 10 10 VAL HA H 10 3.499 3.514 -0.015 1
1 61 . 2 1 1 A 11 11 GLU H H 11 7.185 8.557 -1.372 1
1 62 . 2 1 1 A 11 11 GLU HA H 11 3.843 4.034 -0.191 1
1 67 . 2 1 1 A 12 12 MET H H 12 6.578 7.844 -1.266 1
1 68 . 2 1 1 A 12 12 MET HA H 12 4.240 4.437 -0.197 1
1 75 . 2 1 1 A 13 13 GLY H H 13 7.583 8.514 -0.931 1
1 76 . 2 1 1 A 13 13 GLY HA2 H 13 4.459 4.129 0.330 1
1 77 . 2 1 1 A 13 13 GLY HA3 H 13 3.916 4.133 -0.217 1
1 78 . 2 1 1 A 14 14 GLY H H 14 8.818 7.478 1.340 1
1 79 . 2 1 1 A 14 14 GLY HA2 H 14 4.646 4.132 0.514 1
1 80 . 2 1 1 A 14 14 GLY HA3 H 14 4.203 4.133 0.070 1
1 81 . 2 1 1 A 15 15 CYS H H 15 9.211 8.762 0.449 1
1 82 . 2 1 1 A 15 15 CYS HA H 15 5.103 4.456 0.647 1
1 85 . 2 1 1 A 16 16 GLU H H 16 9.687 8.006 1.681 1
1 86 . 2 1 1 A 16 16 GLU HA H 16 4.684 4.799 -0.115 1
1 91 . 2 1 1 A 17 17 ASN H H 17 7.564 7.778 -0.214 1
1 92 . 2 1 1 A 17 17 ASN HA H 17 4.312 4.497 -0.185 1
1 96 . 2 1 1 A 18 18 CYS H H 18 6.420 7.222 -0.802 1
1 97 . 2 1 1 A 18 18 CYS HA H 18 4.663 4.433 0.230 1
1 100 . 2 1 1 A 19 19 HIS H H 19 6.637 7.441 -0.804 1
1 101 . 2 1 1 A 19 19 HIS HA H 19 3.768 5.230 -1.462 1
1 107 . 2 1 1 A 20 20 ALA H H 20 7.669 8.613 -0.944 1
1 108 . 2 1 1 A 20 20 ALA HA H 20 3.596 4.473 -0.877 1
1 112 . 2 1 1 A 21 21 ASP H H 21 9.152 9.403 -0.251 1
1 113 . 2 1 1 A 21 21 ASP HA H 21 4.059 4.308 -0.249 1
1 116 . 2 1 1 A 22 22 GLY H H 22 7.497 8.751 -1.254 1
1 117 . 2 1 1 A 22 22 GLY HA2 H 22 3.774 3.914 -0.140 1
1 118 . 2 1 1 A 22 22 GLY HA3 H 22 2.380 3.939 -1.559 1
1 119 . 2 1 1 A 23 23 GLU H H 23 6.896 7.723 -0.827 1
1 120 . 2 1 1 A 23 23 GLU HA H 23 4.029 4.792 -0.763 1
1 125 . 2 1 1 A 24 24 PRO HA H 24 2.264 4.554 -2.290 1
1 132 . 2 1 1 A 25 25 SER H H 25 8.295 8.746 -0.451 1
1 133 . 2 1 1 A 25 25 SER HA H 25 4.243 4.624 -0.381 1
1 135 . 2 1 1 A 26 26 LYS H H 26 8.813 8.640 0.173 1
1 136 . 2 1 1 A 26 26 LYS HA H 26 4.369 4.727 -0.358 1
1 141 . 2 1 1 A 27 27 ASP H H 27 7.852 8.167 -0.315 1
1 142 . 2 1 1 A 27 27 ASP HA H 27 4.833 4.778 0.055 1
1 145 . 2 1 1 A 28 28 GLY H H 28 8.560 8.108 0.452 1
1 146 . 2 1 1 A 28 28 GLY HA2 H 28 4.397 4.008 0.389 1
1 147 . 2 1 1 A 28 28 GLY HA3 H 28 4.177 4.042 0.135 1
1 148 . 2 1 1 A 29 29 ALA H H 29 8.375 8.311 0.064 1
1 149 . 2 1 1 A 29 29 ALA HA H 29 4.391 4.222 0.169 1
1 153 . 2 1 1 A 30 30 TYR H H 30 8.661 8.613 0.048 1
1 154 . 2 1 1 A 30 30 TYR HA H 30 4.014 4.029 -0.015 1
1 160 . 2 1 1 A 31 31 GLU H H 31 9.525 8.415 1.110 1
1 161 . 2 1 1 A 31 31 GLU HA H 31 4.238 3.838 0.400 1
1 164 . 2 1 1 A 32 32 PHE H H 32 8.247 8.084 0.163 1
1 165 . 2 1 1 A 32 32 PHE HA H 32 5.401 4.011 1.390 1
1 172 . 2 1 1 A 33 33 GLU H H 33 8.353 8.382 -0.029 1
1 173 . 2 1 1 A 33 33 GLU HA H 33 3.763 3.569 0.194 1
1 178 . 2 1 1 A 34 34 GLN H H 34 8.408 8.533 -0.125 1
1 179 . 2 1 1 A 34 34 GLN HA H 34 4.288 3.905 0.383 1
1 186 . 2 1 1 A 35 35 CYS H H 35 10.043 7.329 2.714 1
1 187 . 2 1 1 A 35 35 CYS HA H 35 5.048 4.601 0.447 1
1 190 . 2 1 1 A 36 36 GLN H H 36 7.667 7.594 0.073 1
1 191 . 2 1 1 A 36 36 GLN HA H 36 4.122 4.531 -0.409 1
1 197 . 2 1 1 A 37 37 SER H H 37 8.069 8.320 -0.251 1
1 198 . 2 1 1 A 37 37 SER HA H 37 4.104 4.658 -0.554 1
1 200 . 2 1 1 A 38 38 CYS H H 38 6.534 8.560 -2.026 1
1 201 . 2 1 1 A 38 38 CYS HA H 38 4.458 4.154 0.304 1
1 204 . 2 1 1 A 39 39 HIS H H 39 7.195 7.965 -0.770 1
1 205 . 2 1 1 A 39 39 HIS HA H 39 3.167 4.697 -1.530 1
1 211 . 2 1 1 A 40 40 GLY H H 40 7.528 7.552 -0.024 1
1 212 . 2 1 1 A 40 40 GLY HA2 H 40 3.838 4.058 -0.220 1
1 213 . 2 1 1 A 40 40 GLY HA3 H 40 3.336 4.073 -0.737 1
1 214 . 2 1 1 A 41 41 SER H H 41 7.364 8.475 -1.111 1
1 215 . 2 1 1 A 41 41 SER HA H 41 4.332 5.122 -0.790 1
1 218 . 2 1 1 A 42 42 LEU H H 42 8.713 9.062 -0.349 1
1 219 . 2 1 1 A 42 42 LEU HA H 42 3.145 4.101 -0.956 1
1 229 . 2 1 1 A 43 43 ALA H H 43 7.277 7.981 -0.704 1
1 230 . 2 1 1 A 43 43 ALA HA H 43 3.522 4.214 -0.692 1
1 234 . 2 1 1 A 44 44 GLU H H 44 6.953 8.419 -1.466 1
1 235 . 2 1 1 A 44 44 GLU HA H 44 4.001 4.497 -0.496 1
1 239 . 2 1 1 A 45 45 MET H H 45 6.301 8.138 -1.837 1
1 240 . 2 1 1 A 45 45 MET HA H 45 3.491 4.755 -1.264 1
1 248 . 2 1 1 A 46 46 ASP H H 46 6.781 8.661 -1.880 1
1 249 . 2 1 1 A 46 46 ASP HA H 46 3.893 4.707 -0.814 1
1 252 . 2 1 1 A 47 47 ASP H H 47 7.863 8.956 -1.093 1
1 253 . 2 1 1 A 47 47 ASP HA H 47 3.940 4.700 -0.760 1
1 256 . 2 1 1 A 48 48 ASN H H 48 7.316 8.138 -0.822 1
1 257 . 2 1 1 A 48 48 ASN HA H 48 4.186 4.773 -0.587 1
1 262 . 2 1 1 A 49 49 HIS H H 49 6.197 8.067 -1.870 1
1 263 . 2 1 1 A 49 49 HIS HA H 49 1.562 4.515 -2.953 1
1 269 . 2 1 1 A 50 50 LYS H H 50 7.161 8.200 -1.039 1
1 270 . 2 1 1 A 50 50 LYS HA H 50 3.125 4.082 -0.957 1
1 276 . 2 1 1 A 51 51 PRO HA H 51 3.694 4.180 -0.486 1
1 283 . 2 1 1 A 52 52 HIS H H 52 6.170 7.379 -1.209 1
1 284 . 2 1 1 A 52 52 HIS HA H 52 2.763 4.337 -1.574 1
1 290 . 2 1 1 A 53 53 ASP H H 53 6.870 8.426 -1.556 1
1 291 . 2 1 1 A 53 53 ASP HA H 53 4.033 4.314 -0.281 1
1 294 . 2 1 1 A 54 54 GLY H H 54 8.685 8.777 -0.092 1
1 295 . 2 1 1 A 54 54 GLY HA2 H 54 4.253 4.066 0.187 1
1 296 . 2 1 1 A 54 54 GLY HA3 H 54 3.660 4.079 -0.419 1
1 297 . 2 1 1 A 55 55 LEU H H 55 7.965 7.931 0.034 1
1 298 . 2 1 1 A 55 55 LEU HA H 55 4.636 4.540 0.096 1
1 307 . 2 1 1 A 56 56 LEU H H 56 7.090 7.725 -0.635 1
1 308 . 2 1 1 A 56 56 LEU HA H 56 4.894 4.880 0.014 1
1 318 . 2 1 1 A 57 57 MET H H 57 9.052 8.393 0.659 1
1 319 . 2 1 1 A 57 57 MET HA H 57 4.032 4.063 -0.031 1
1 323 . 2 1 1 A 58 58 CYS H H 58 7.800 9.095 -1.295 1
1 324 . 2 1 1 A 58 58 CYS HA H 58 5.550 4.227 1.323 1
1 327 . 2 1 1 A 59 59 ALA H H 59 9.149 8.228 0.921 1
1 328 . 2 1 1 A 59 59 ALA HA H 59 4.072 4.079 -0.007 1
1 332 . 2 1 1 A 60 60 ASP H H 60 7.878 8.246 -0.368 1
1 333 . 2 1 1 A 60 60 ASP HA H 60 4.543 4.264 0.279 1
1 336 . 2 1 1 A 61 61 CYS H H 61 6.557 9.257 -2.700 1
1 337 . 2 1 1 A 61 61 CYS HA H 61 4.728 4.399 0.329 1
1 340 . 2 1 1 A 62 62 HIS H H 62 7.267 8.421 -1.154 1
1 341 . 2 1 1 A 62 62 HIS HA H 62 3.031 4.720 -1.689 1
1 347 . 2 1 1 A 63 63 ALA H H 63 7.251 7.335 -0.084 1
1 348 . 2 1 1 A 63 63 ALA HA H 63 4.202 4.084 0.118 1
1 352 . 2 1 1 A 64 64 PRO HA H 64 3.270 4.303 -1.033 1
1 359 . 2 1 1 A 65 65 HIS H H 65 7.148 8.252 -1.104 1
1 360 . 2 1 1 A 65 65 HIS HA H 65 2.937 4.729 -1.792 1
1 366 . 2 1 1 A 66 66 GLU H H 66 7.113 8.307 -1.194 1
1 367 . 2 1 1 A 66 66 GLU HA H 66 3.936 4.414 -0.478 1
1 371 . 2 1 1 A 67 67 ALA H H 67 7.983 8.150 -0.167 1
1 372 . 2 1 1 A 67 67 ALA HA H 67 3.852 4.341 -0.489 1
1 376 . 2 1 1 A 68 68 LYS H H 68 7.981 8.944 -0.963 1
1 377 . 2 1 1 A 68 68 LYS HA H 68 4.293 4.954 -0.661 1
1 382 . 2 1 1 A 69 69 VAL H H 69 7.859 8.389 -0.530 1
1 383 . 2 1 1 A 69 69 VAL HA H 69 3.207 3.314 -0.107 1
1 391 . 2 1 1 A 70 70 GLY H H 70 8.901 8.738 0.163 1
1 392 . 2 1 1 A 70 70 GLY HA2 H 70 4.234 3.860 0.374 1
1 393 . 2 1 1 A 70 70 GLY HA3 H 70 3.817 3.861 -0.044 1
1 394 . 2 1 1 A 71 71 GLU H H 71 7.596 7.812 -0.216 1
1 395 . 2 1 1 A 71 71 GLU HA H 71 4.437 4.959 -0.522 1
1 398 . 2 1 1 A 72 72 LYS H H 72 8.483 8.613 -0.130 1
1 399 . 2 1 1 A 72 72 LYS HA H 72 4.571 4.948 -0.377 1
1 402 . 2 1 1 A 73 73 PRO HA H 73 4.419 4.420 -0.001 1
1 409 . 2 1 1 A 74 74 THR H H 74 8.511 8.196 0.315 1
1 410 . 2 1 1 A 74 74 THR HA H 74 5.336 4.876 0.460 1
1 415 . 2 1 1 A 75 75 CYS H H 75 8.998 9.158 -0.160 1
1 416 . 2 1 1 A 75 75 CYS HA H 75 5.967 4.061 1.906 1
1 419 . 2 1 1 A 76 76 ASP H H 76 8.504 8.224 0.280 1
1 420 . 2 1 1 A 76 76 ASP HA H 76 4.565 4.782 -0.217 1
1 422 . 2 1 1 A 77 77 THR H H 77 7.809 7.502 0.307 1
1 423 . 2 1 1 A 77 77 THR HA H 77 3.983 3.892 0.091 1
1 428 . 2 1 1 A 78 78 CYS H H 78 6.634 8.422 -1.788 1
1 429 . 2 1 1 A 78 78 CYS HA H 78 4.427 4.451 -0.024 1
1 432 . 2 1 1 A 79 79 HIS H H 79 7.043 8.263 -1.220 1
1 433 . 2 1 1 A 79 79 HIS HA H 79 3.437 4.734 -1.297 1
1 439 . 2 1 1 A 80 80 ASP H H 80 7.826 9.055 -1.229 1
1 440 . 2 1 1 A 80 80 ASP HA H 80 4.464 4.836 -0.372 1
1 443 . 2 1 1 A 81 81 ASP H H 81 7.139 8.133 -0.994 1
1 444 . 2 1 1 A 81 81 ASP HA H 81 4.321 4.682 -0.361 1
1 447 . 2 1 1 A 82 82 GLY H H 82 8.545 8.225 0.320 1
1 448 . 2 1 1 A 82 82 GLY HA2 H 82 3.871 3.962 -0.091 1
1 449 . 2 1 1 A 82 82 GLY HA3 H 82 3.534 3.966 -0.432 1
1 450 . 2 1 1 A 83 83 ARG H H 83 6.845 8.198 -1.353 1
1 451 . 2 1 1 A 83 83 ARG HA H 83 4.250 4.261 -0.011 1
1 459 . 2 1 1 A 84 84 THR H H 84 8.063 8.639 -0.576 1
1 460 . 2 1 1 A 84 84 THR HA H 84 5.059 5.117 -0.058 1
1 465 . 2 1 1 A 85 85 ALA H H 85 8.904 8.593 0.311 1
1 466 . 2 1 1 A 85 85 ALA HA H 85 4.736 4.467 0.269 1
1 1 . 3 1 1 A 2 2 ASP HA H 2 4.450 4.163 0.287 1
1 2 . 3 1 1 A 3 3 GLU H H 3 8.214 7.905 0.309 1
1 3 . 3 1 1 A 3 3 GLU HA H 3 4.213 4.982 -0.769 1
1 8 . 3 1 1 A 4 4 THR H H 4 8.208 8.614 -0.406 1
1 9 . 3 1 1 A 4 4 THR HA H 4 4.367 4.965 -0.598 1
1 14 . 3 1 1 A 5 5 LEU H H 5 8.068 8.405 -0.337 1
1 15 . 3 1 1 A 5 5 LEU HA H 5 3.094 4.208 -1.114 1
1 25 . 3 1 1 A 6 6 ALA H H 6 7.938 8.311 -0.373 1
1 26 . 3 1 1 A 6 6 ALA HA H 6 2.662 3.860 -1.198 1
1 30 . 3 1 1 A 7 7 GLU H H 7 6.938 7.959 -1.021 1
1 31 . 3 1 1 A 7 7 GLU HA H 7 3.273 4.118 -0.845 1
1 36 . 3 1 1 A 8 8 PHE H H 8 7.568 8.258 -0.690 1
1 37 . 3 1 1 A 8 8 PHE HA H 8 3.752 4.091 -0.339 1
1 45 . 3 1 1 A 9 9 HIS H H 9 6.505 8.010 -1.505 1
1 46 . 3 1 1 A 9 9 HIS HA H 9 2.781 4.191 -1.410 1
1 52 . 3 1 1 A 10 10 VAL H H 10 8.569 8.563 0.006 1
1 53 . 3 1 1 A 10 10 VAL HA H 10 3.499 3.469 0.030 1
1 61 . 3 1 1 A 11 11 GLU H H 11 7.185 8.513 -1.328 1
1 62 . 3 1 1 A 11 11 GLU HA H 11 3.843 4.019 -0.176 1
1 67 . 3 1 1 A 12 12 MET H H 12 6.578 7.760 -1.182 1
1 68 . 3 1 1 A 12 12 MET HA H 12 4.240 4.477 -0.237 1
1 75 . 3 1 1 A 13 13 GLY H H 13 7.583 8.533 -0.950 1
1 76 . 3 1 1 A 13 13 GLY HA2 H 13 4.459 4.131 0.328 1
1 77 . 3 1 1 A 13 13 GLY HA3 H 13 3.916 4.134 -0.218 1
1 78 . 3 1 1 A 14 14 GLY H H 14 8.818 7.468 1.350 1
1 79 . 3 1 1 A 14 14 GLY HA2 H 14 4.646 4.131 0.515 1
1 80 . 3 1 1 A 14 14 GLY HA3 H 14 4.203 4.132 0.071 1
1 81 . 3 1 1 A 15 15 CYS H H 15 9.211 8.784 0.427 1
1 82 . 3 1 1 A 15 15 CYS HA H 15 5.103 4.454 0.649 1
1 85 . 3 1 1 A 16 16 GLU H H 16 9.687 8.034 1.653 1
1 86 . 3 1 1 A 16 16 GLU HA H 16 4.684 4.820 -0.136 1
1 91 . 3 1 1 A 17 17 ASN H H 17 7.564 7.922 -0.358 1
1 92 . 3 1 1 A 17 17 ASN HA H 17 4.312 4.556 -0.244 1
1 96 . 3 1 1 A 18 18 CYS H H 18 6.420 7.691 -1.271 1
1 97 . 3 1 1 A 18 18 CYS HA H 18 4.663 4.431 0.232 1
1 100 . 3 1 1 A 19 19 HIS H H 19 6.637 7.566 -0.929 1
1 101 . 3 1 1 A 19 19 HIS HA H 19 3.768 5.267 -1.499 1
1 107 . 3 1 1 A 20 20 ALA H H 20 7.669 8.658 -0.989 1
1 108 . 3 1 1 A 20 20 ALA HA H 20 3.596 4.584 -0.988 1
1 112 . 3 1 1 A 21 21 ASP H H 21 9.152 9.530 -0.378 1
1 113 . 3 1 1 A 21 21 ASP HA H 21 4.059 4.365 -0.306 1
1 116 . 3 1 1 A 22 22 GLY H H 22 7.497 8.745 -1.248 1
1 117 . 3 1 1 A 22 22 GLY HA2 H 22 3.774 3.928 -0.154 1
1 118 . 3 1 1 A 22 22 GLY HA3 H 22 2.380 3.944 -1.564 1
1 119 . 3 1 1 A 23 23 GLU H H 23 6.896 7.696 -0.800 1
1 120 . 3 1 1 A 23 23 GLU HA H 23 4.029 4.804 -0.775 1
1 125 . 3 1 1 A 24 24 PRO HA H 24 2.264 4.529 -2.265 1
1 132 . 3 1 1 A 25 25 SER H H 25 8.295 8.147 0.148 1
1 133 . 3 1 1 A 25 25 SER HA H 25 4.243 4.674 -0.431 1
1 135 . 3 1 1 A 26 26 LYS H H 26 8.813 8.602 0.211 1
1 136 . 3 1 1 A 26 26 LYS HA H 26 4.369 4.730 -0.361 1
1 141 . 3 1 1 A 27 27 ASP H H 27 7.852 8.083 -0.231 1
1 142 . 3 1 1 A 27 27 ASP HA H 27 4.833 4.727 0.106 1
1 145 . 3 1 1 A 28 28 GLY H H 28 8.560 8.069 0.491 1
1 146 . 3 1 1 A 28 28 GLY HA2 H 28 4.397 3.978 0.419 1
1 147 . 3 1 1 A 28 28 GLY HA3 H 28 4.177 4.009 0.168 1
1 148 . 3 1 1 A 29 29 ALA H H 29 8.375 8.293 0.082 1
1 149 . 3 1 1 A 29 29 ALA HA H 29 4.391 4.151 0.240 1
1 153 . 3 1 1 A 30 30 TYR H H 30 8.661 8.590 0.071 1
1 154 . 3 1 1 A 30 30 TYR HA H 30 4.014 4.078 -0.064 1
1 160 . 3 1 1 A 31 31 GLU H H 31 9.525 8.335 1.190 1
1 161 . 3 1 1 A 31 31 GLU HA H 31 4.238 3.848 0.390 1
1 164 . 3 1 1 A 32 32 PHE H H 32 8.247 8.898 -0.651 1
1 165 . 3 1 1 A 32 32 PHE HA H 32 5.401 3.995 1.406 1
1 172 . 3 1 1 A 33 33 GLU H H 33 8.353 8.131 0.222 1
1 173 . 3 1 1 A 33 33 GLU HA H 33 3.763 3.672 0.091 1
1 178 . 3 1 1 A 34 34 GLN H H 34 8.408 8.292 0.116 1
1 179 . 3 1 1 A 34 34 GLN HA H 34 4.288 3.907 0.381 1
1 186 . 3 1 1 A 35 35 CYS H H 35 10.043 7.187 2.856 1
1 187 . 3 1 1 A 35 35 CYS HA H 35 5.048 4.654 0.394 1
1 190 . 3 1 1 A 36 36 GLN H H 36 7.667 7.510 0.157 1
1 191 . 3 1 1 A 36 36 GLN HA H 36 4.122 4.622 -0.500 1
1 197 . 3 1 1 A 37 37 SER H H 37 8.069 7.939 0.130 1
1 198 . 3 1 1 A 37 37 SER HA H 37 4.104 4.604 -0.500 1
1 200 . 3 1 1 A 38 38 CYS H H 38 6.534 8.566 -2.032 1
1 201 . 3 1 1 A 38 38 CYS HA H 38 4.458 4.142 0.316 1
1 204 . 3 1 1 A 39 39 HIS H H 39 7.195 7.924 -0.729 1
1 205 . 3 1 1 A 39 39 HIS HA H 39 3.167 4.693 -1.526 1
1 211 . 3 1 1 A 40 40 GLY H H 40 7.528 7.563 -0.035 1
1 212 . 3 1 1 A 40 40 GLY HA2 H 40 3.838 4.031 -0.193 1
1 213 . 3 1 1 A 40 40 GLY HA3 H 40 3.336 4.047 -0.711 1
1 214 . 3 1 1 A 41 41 SER H H 41 7.364 8.372 -1.008 1
1 215 . 3 1 1 A 41 41 SER HA H 41 4.332 5.235 -0.903 1
1 218 . 3 1 1 A 42 42 LEU H H 42 8.713 9.109 -0.396 1
1 219 . 3 1 1 A 42 42 LEU HA H 42 3.145 4.143 -0.998 1
1 229 . 3 1 1 A 43 43 ALA H H 43 7.277 7.903 -0.626 1
1 230 . 3 1 1 A 43 43 ALA HA H 43 3.522 4.250 -0.728 1
1 234 . 3 1 1 A 44 44 GLU H H 44 6.953 8.754 -1.801 1
1 235 . 3 1 1 A 44 44 GLU HA H 44 4.001 4.585 -0.584 1
1 239 . 3 1 1 A 45 45 MET H H 45 6.301 7.649 -1.348 1
1 240 . 3 1 1 A 45 45 MET HA H 45 3.491 4.787 -1.296 1
1 248 . 3 1 1 A 46 46 ASP H H 46 6.781 8.620 -1.839 1
1 249 . 3 1 1 A 46 46 ASP HA H 46 3.893 4.739 -0.846 1
1 252 . 3 1 1 A 47 47 ASP H H 47 7.863 8.726 -0.863 1
1 253 . 3 1 1 A 47 47 ASP HA H 47 3.940 4.536 -0.596 1
1 256 . 3 1 1 A 48 48 ASN H H 48 7.316 8.083 -0.767 1
1 257 . 3 1 1 A 48 48 ASN HA H 48 4.186 4.781 -0.595 1
1 262 . 3 1 1 A 49 49 HIS H H 49 6.197 7.834 -1.637 1
1 263 . 3 1 1 A 49 49 HIS HA H 49 1.562 4.562 -3.000 1
1 269 . 3 1 1 A 50 50 LYS H H 50 7.161 7.997 -0.836 1
1 270 . 3 1 1 A 50 50 LYS HA H 50 3.125 4.111 -0.986 1
1 276 . 3 1 1 A 51 51 PRO HA H 51 3.694 4.162 -0.468 1
1 283 . 3 1 1 A 52 52 HIS H H 52 6.170 7.381 -1.211 1
1 284 . 3 1 1 A 52 52 HIS HA H 52 2.763 4.231 -1.468 1
1 290 . 3 1 1 A 53 53 ASP H H 53 6.870 8.592 -1.722 1
1 291 . 3 1 1 A 53 53 ASP HA H 53 4.033 4.294 -0.261 1
1 294 . 3 1 1 A 54 54 GLY H H 54 8.685 8.799 -0.114 1
1 295 . 3 1 1 A 54 54 GLY HA2 H 54 4.253 3.996 0.257 1
1 296 . 3 1 1 A 54 54 GLY HA3 H 54 3.660 4.026 -0.366 1
1 297 . 3 1 1 A 55 55 LEU H H 55 7.965 7.913 0.052 1
1 298 . 3 1 1 A 55 55 LEU HA H 55 4.636 4.535 0.101 1
1 307 . 3 1 1 A 56 56 LEU H H 56 7.090 7.780 -0.690 1
1 308 . 3 1 1 A 56 56 LEU HA H 56 4.894 4.902 -0.008 1
1 318 . 3 1 1 A 57 57 MET H H 57 9.052 8.529 0.523 1
1 319 . 3 1 1 A 57 57 MET HA H 57 4.032 4.260 -0.228 1
1 323 . 3 1 1 A 58 58 CYS H H 58 7.800 8.891 -1.091 1
1 324 . 3 1 1 A 58 58 CYS HA H 58 5.550 4.235 1.315 1
1 327 . 3 1 1 A 59 59 ALA H H 59 9.149 8.187 0.962 1
1 328 . 3 1 1 A 59 59 ALA HA H 59 4.072 4.073 -0.001 1
1 332 . 3 1 1 A 60 60 ASP H H 60 7.878 8.231 -0.353 1
1 333 . 3 1 1 A 60 60 ASP HA H 60 4.543 4.284 0.259 1
1 336 . 3 1 1 A 61 61 CYS H H 61 6.557 9.056 -2.499 1
1 337 . 3 1 1 A 61 61 CYS HA H 61 4.728 4.417 0.311 1
1 340 . 3 1 1 A 62 62 HIS H H 62 7.267 8.646 -1.379 1
1 341 . 3 1 1 A 62 62 HIS HA H 62 3.031 4.711 -1.680 1
1 347 . 3 1 1 A 63 63 ALA H H 63 7.251 7.413 -0.162 1
1 348 . 3 1 1 A 63 63 ALA HA H 63 4.202 4.116 0.086 1
1 352 . 3 1 1 A 64 64 PRO HA H 64 3.270 4.307 -1.037 1
1 359 . 3 1 1 A 65 65 HIS H H 65 7.148 8.205 -1.057 1
1 360 . 3 1 1 A 65 65 HIS HA H 65 2.937 4.754 -1.817 1
1 366 . 3 1 1 A 66 66 GLU H H 66 7.113 8.479 -1.366 1
1 367 . 3 1 1 A 66 66 GLU HA H 66 3.936 4.529 -0.593 1
1 371 . 3 1 1 A 67 67 ALA H H 67 7.983 8.679 -0.696 1
1 372 . 3 1 1 A 67 67 ALA HA H 67 3.852 4.365 -0.513 1
1 376 . 3 1 1 A 68 68 LYS H H 68 7.981 8.955 -0.974 1
1 377 . 3 1 1 A 68 68 LYS HA H 68 4.293 5.109 -0.816 1
1 382 . 3 1 1 A 69 69 VAL H H 69 7.859 8.228 -0.369 1
1 383 . 3 1 1 A 69 69 VAL HA H 69 3.207 3.332 -0.125 1
1 391 . 3 1 1 A 70 70 GLY H H 70 8.901 8.710 0.191 1
1 392 . 3 1 1 A 70 70 GLY HA2 H 70 4.234 3.824 0.410 1
1 393 . 3 1 1 A 70 70 GLY HA3 H 70 3.817 3.825 -0.008 1
1 394 . 3 1 1 A 71 71 GLU H H 71 7.596 7.899 -0.303 1
1 395 . 3 1 1 A 71 71 GLU HA H 71 4.437 4.679 -0.242 1
1 398 . 3 1 1 A 72 72 LYS H H 72 8.483 8.499 -0.016 1
1 399 . 3 1 1 A 72 72 LYS HA H 72 4.571 4.975 -0.404 1
1 402 . 3 1 1 A 73 73 PRO HA H 73 4.419 4.418 0.001 1
1 409 . 3 1 1 A 74 74 THR H H 74 8.511 8.184 0.327 1
1 410 . 3 1 1 A 74 74 THR HA H 74 5.336 4.769 0.567 1
1 415 . 3 1 1 A 75 75 CYS H H 75 8.998 9.201 -0.203 1
1 416 . 3 1 1 A 75 75 CYS HA H 75 5.967 4.127 1.840 1
1 419 . 3 1 1 A 76 76 ASP H H 76 8.504 8.427 0.077 1
1 420 . 3 1 1 A 76 76 ASP HA H 76 4.565 4.862 -0.297 1
1 422 . 3 1 1 A 77 77 THR H H 77 7.809 7.488 0.321 1
1 423 . 3 1 1 A 77 77 THR HA H 77 3.983 3.859 0.124 1
1 428 . 3 1 1 A 78 78 CYS H H 78 6.634 8.474 -1.840 1
1 429 . 3 1 1 A 78 78 CYS HA H 78 4.427 4.455 -0.028 1
1 432 . 3 1 1 A 79 79 HIS H H 79 7.043 8.240 -1.197 1
1 433 . 3 1 1 A 79 79 HIS HA H 79 3.437 4.721 -1.284 1
1 439 . 3 1 1 A 80 80 ASP H H 80 7.826 8.648 -0.822 1
1 440 . 3 1 1 A 80 80 ASP HA H 80 4.464 4.655 -0.191 1
1 443 . 3 1 1 A 81 81 ASP H H 81 7.139 8.152 -1.013 1
1 444 . 3 1 1 A 81 81 ASP HA H 81 4.321 4.694 -0.373 1
1 447 . 3 1 1 A 82 82 GLY H H 82 8.545 8.176 0.369 1
1 448 . 3 1 1 A 82 82 GLY HA2 H 82 3.871 3.963 -0.092 1
1 449 . 3 1 1 A 82 82 GLY HA3 H 82 3.534 3.967 -0.433 1
1 450 . 3 1 1 A 83 83 ARG H H 83 6.845 8.000 -1.155 1
1 451 . 3 1 1 A 83 83 ARG HA H 83 4.250 4.248 0.002 1
1 459 . 3 1 1 A 84 84 THR H H 84 8.063 8.559 -0.496 1
1 460 . 3 1 1 A 84 84 THR HA H 84 5.059 5.064 -0.005 1
1 465 . 3 1 1 A 85 85 ALA H H 85 8.904 8.527 0.377 1
1 466 . 3 1 1 A 85 85 ALA HA H 85 4.736 4.420 0.316 1
1 1 . 4 1 1 A 2 2 ASP HA H 2 4.450 5.286 -0.836 1
1 2 . 4 1 1 A 3 3 GLU H H 3 8.214 8.836 -0.622 1
1 3 . 4 1 1 A 3 3 GLU HA H 3 4.213 4.938 -0.725 1
1 8 . 4 1 1 A 4 4 THR H H 4 8.208 8.763 -0.555 1
1 9 . 4 1 1 A 4 4 THR HA H 4 4.367 4.747 -0.380 1
1 14 . 4 1 1 A 5 5 LEU H H 5 8.068 8.434 -0.366 1
1 15 . 4 1 1 A 5 5 LEU HA H 5 3.094 4.208 -1.114 1
1 25 . 4 1 1 A 6 6 ALA H H 6 7.938 8.025 -0.087 1
1 26 . 4 1 1 A 6 6 ALA HA H 6 2.662 3.872 -1.210 1
1 30 . 4 1 1 A 7 7 GLU H H 7 6.938 8.151 -1.213 1
1 31 . 4 1 1 A 7 7 GLU HA H 7 3.273 4.062 -0.789 1
1 36 . 4 1 1 A 8 8 PHE H H 8 7.568 8.283 -0.715 1
1 37 . 4 1 1 A 8 8 PHE HA H 8 3.752 4.094 -0.342 1
1 45 . 4 1 1 A 9 9 HIS H H 9 6.505 8.040 -1.535 1
1 46 . 4 1 1 A 9 9 HIS HA H 9 2.781 4.223 -1.442 1
1 52 . 4 1 1 A 10 10 VAL H H 10 8.569 8.526 0.043 1
1 53 . 4 1 1 A 10 10 VAL HA H 10 3.499 3.621 -0.122 1
1 61 . 4 1 1 A 11 11 GLU H H 11 7.185 8.500 -1.315 1
1 62 . 4 1 1 A 11 11 GLU HA H 11 3.843 4.045 -0.202 1
1 67 . 4 1 1 A 12 12 MET H H 12 6.578 7.899 -1.321 1
1 68 . 4 1 1 A 12 12 MET HA H 12 4.240 4.468 -0.228 1
1 75 . 4 1 1 A 13 13 GLY H H 13 7.583 8.485 -0.902 1
1 76 . 4 1 1 A 13 13 GLY HA2 H 13 4.459 4.128 0.331 1
1 77 . 4 1 1 A 13 13 GLY HA3 H 13 3.916 4.132 -0.216 1
1 78 . 4 1 1 A 14 14 GLY H H 14 8.818 7.474 1.344 1
1 79 . 4 1 1 A 14 14 GLY HA2 H 14 4.646 4.131 0.515 1
1 80 . 4 1 1 A 14 14 GLY HA3 H 14 4.203 4.132 0.071 1
1 81 . 4 1 1 A 15 15 CYS H H 15 9.211 8.766 0.445 1
1 82 . 4 1 1 A 15 15 CYS HA H 15 5.103 4.466 0.637 1
1 85 . 4 1 1 A 16 16 GLU H H 16 9.687 7.991 1.696 1
1 86 . 4 1 1 A 16 16 GLU HA H 16 4.684 4.789 -0.105 1
1 91 . 4 1 1 A 17 17 ASN H H 17 7.564 7.788 -0.224 1
1 92 . 4 1 1 A 17 17 ASN HA H 17 4.312 4.470 -0.158 1
1 96 . 4 1 1 A 18 18 CYS H H 18 6.420 7.768 -1.348 1
1 97 . 4 1 1 A 18 18 CYS HA H 18 4.663 4.467 0.196 1
1 100 . 4 1 1 A 19 19 HIS H H 19 6.637 7.595 -0.958 1
1 101 . 4 1 1 A 19 19 HIS HA H 19 3.768 5.307 -1.539 1
1 107 . 4 1 1 A 20 20 ALA H H 20 7.669 8.723 -1.054 1
1 108 . 4 1 1 A 20 20 ALA HA H 20 3.596 4.601 -1.005 1
1 112 . 4 1 1 A 21 21 ASP H H 21 9.152 9.899 -0.747 1
1 113 . 4 1 1 A 21 21 ASP HA H 21 4.059 4.301 -0.242 1
1 116 . 4 1 1 A 22 22 GLY H H 22 7.497 8.718 -1.221 1
1 117 . 4 1 1 A 22 22 GLY HA2 H 22 3.774 3.932 -0.158 1
1 118 . 4 1 1 A 22 22 GLY HA3 H 22 2.380 3.954 -1.574 1
1 119 . 4 1 1 A 23 23 GLU H H 23 6.896 7.758 -0.862 1
1 120 . 4 1 1 A 23 23 GLU HA H 23 4.029 4.788 -0.759 1
1 125 . 4 1 1 A 24 24 PRO HA H 24 2.264 4.505 -2.241 1
1 132 . 4 1 1 A 25 25 SER H H 25 8.295 8.192 0.103 1
1 133 . 4 1 1 A 25 25 SER HA H 25 4.243 4.644 -0.401 1
1 135 . 4 1 1 A 26 26 LYS H H 26 8.813 9.058 -0.245 1
1 136 . 4 1 1 A 26 26 LYS HA H 26 4.369 4.549 -0.180 1
1 141 . 4 1 1 A 27 27 ASP H H 27 7.852 7.850 0.002 1
1 142 . 4 1 1 A 27 27 ASP HA H 27 4.833 4.821 0.012 1
1 145 . 4 1 1 A 28 28 GLY H H 28 8.560 7.813 0.747 1
1 146 . 4 1 1 A 28 28 GLY HA2 H 28 4.397 3.969 0.428 1
1 147 . 4 1 1 A 28 28 GLY HA3 H 28 4.177 3.999 0.178 1
1 148 . 4 1 1 A 29 29 ALA H H 29 8.375 8.297 0.078 1
1 149 . 4 1 1 A 29 29 ALA HA H 29 4.391 4.188 0.203 1
1 153 . 4 1 1 A 30 30 TYR H H 30 8.661 8.570 0.091 1
1 154 . 4 1 1 A 30 30 TYR HA H 30 4.014 4.032 -0.018 1
1 160 . 4 1 1 A 31 31 GLU H H 31 9.525 7.929 1.596 1
1 161 . 4 1 1 A 31 31 GLU HA H 31 4.238 3.854 0.384 1
1 164 . 4 1 1 A 32 32 PHE H H 32 8.247 8.491 -0.244 1
1 165 . 4 1 1 A 32 32 PHE HA H 32 5.401 3.997 1.404 1
1 172 . 4 1 1 A 33 33 GLU H H 33 8.353 8.135 0.218 1
1 173 . 4 1 1 A 33 33 GLU HA H 33 3.763 3.680 0.083 1
1 178 . 4 1 1 A 34 34 GLN H H 34 8.408 8.336 0.072 1
1 179 . 4 1 1 A 34 34 GLN HA H 34 4.288 3.923 0.365 1
1 186 . 4 1 1 A 35 35 CYS H H 35 10.043 7.196 2.847 1
1 187 . 4 1 1 A 35 35 CYS HA H 35 5.048 4.647 0.401 1
1 190 . 4 1 1 A 36 36 GLN H H 36 7.667 7.607 0.060 1
1 191 . 4 1 1 A 36 36 GLN HA H 36 4.122 4.658 -0.536 1
1 197 . 4 1 1 A 37 37 SER H H 37 8.069 7.935 0.134 1
1 198 . 4 1 1 A 37 37 SER HA H 37 4.104 4.612 -0.508 1
1 200 . 4 1 1 A 38 38 CYS H H 38 6.534 8.576 -2.042 1
1 201 . 4 1 1 A 38 38 CYS HA H 38 4.458 4.164 0.294 1
1 204 . 4 1 1 A 39 39 HIS H H 39 7.195 7.942 -0.747 1
1 205 . 4 1 1 A 39 39 HIS HA H 39 3.167 4.699 -1.532 1
1 211 . 4 1 1 A 40 40 GLY H H 40 7.528 7.589 -0.061 1
1 212 . 4 1 1 A 40 40 GLY HA2 H 40 3.838 4.081 -0.243 1
1 213 . 4 1 1 A 40 40 GLY HA3 H 40 3.336 4.096 -0.760 1
1 214 . 4 1 1 A 41 41 SER H H 41 7.364 8.362 -0.998 1
1 215 . 4 1 1 A 41 41 SER HA H 41 4.332 5.273 -0.941 1
1 218 . 4 1 1 A 42 42 LEU H H 42 8.713 9.158 -0.445 1
1 219 . 4 1 1 A 42 42 LEU HA H 42 3.145 4.149 -1.004 1
1 229 . 4 1 1 A 43 43 ALA H H 43 7.277 8.094 -0.817 1
1 230 . 4 1 1 A 43 43 ALA HA H 43 3.522 4.239 -0.717 1
1 234 . 4 1 1 A 44 44 GLU H H 44 6.953 8.960 -2.007 1
1 235 . 4 1 1 A 44 44 GLU HA H 44 4.001 4.488 -0.487 1
1 239 . 4 1 1 A 45 45 MET H H 45 6.301 7.753 -1.452 1
1 240 . 4 1 1 A 45 45 MET HA H 45 3.491 4.805 -1.314 1
1 248 . 4 1 1 A 46 46 ASP H H 46 6.781 8.589 -1.808 1
1 249 . 4 1 1 A 46 46 ASP HA H 46 3.893 4.726 -0.833 1
1 252 . 4 1 1 A 47 47 ASP H H 47 7.863 8.946 -1.083 1
1 253 . 4 1 1 A 47 47 ASP HA H 47 3.940 4.758 -0.818 1
1 256 . 4 1 1 A 48 48 ASN H H 48 7.316 8.084 -0.768 1
1 257 . 4 1 1 A 48 48 ASN HA H 48 4.186 4.759 -0.573 1
1 262 . 4 1 1 A 49 49 HIS H H 49 6.197 8.149 -1.952 1
1 263 . 4 1 1 A 49 49 HIS HA H 49 1.562 4.513 -2.951 1
1 269 . 4 1 1 A 50 50 LYS H H 50 7.161 7.828 -0.667 1
1 270 . 4 1 1 A 50 50 LYS HA H 50 3.125 3.983 -0.858 1
1 276 . 4 1 1 A 51 51 PRO HA H 51 3.694 4.169 -0.475 1
1 283 . 4 1 1 A 52 52 HIS H H 52 6.170 7.512 -1.342 1
1 284 . 4 1 1 A 52 52 HIS HA H 52 2.763 4.289 -1.526 1
1 290 . 4 1 1 A 53 53 ASP H H 53 6.870 8.643 -1.773 1
1 291 . 4 1 1 A 53 53 ASP HA H 53 4.033 4.301 -0.268 1
1 294 . 4 1 1 A 54 54 GLY H H 54 8.685 8.690 -0.005 1
1 295 . 4 1 1 A 54 54 GLY HA2 H 54 4.253 4.026 0.227 1
1 296 . 4 1 1 A 54 54 GLY HA3 H 54 3.660 4.039 -0.379 1
1 297 . 4 1 1 A 55 55 LEU H H 55 7.965 7.916 0.049 1
1 298 . 4 1 1 A 55 55 LEU HA H 55 4.636 4.537 0.099 1
1 307 . 4 1 1 A 56 56 LEU H H 56 7.090 7.721 -0.631 1
1 308 . 4 1 1 A 56 56 LEU HA H 56 4.894 4.871 0.023 1
1 318 . 4 1 1 A 57 57 MET H H 57 9.052 9.549 -0.497 1
1 319 . 4 1 1 A 57 57 MET HA H 57 4.032 4.150 -0.118 1
1 323 . 4 1 1 A 58 58 CYS H H 58 7.800 8.861 -1.061 1
1 324 . 4 1 1 A 58 58 CYS HA H 58 5.550 4.194 1.356 1
1 327 . 4 1 1 A 59 59 ALA H H 59 9.149 8.174 0.975 1
1 328 . 4 1 1 A 59 59 ALA HA H 59 4.072 4.095 -0.023 1
1 332 . 4 1 1 A 60 60 ASP H H 60 7.878 8.222 -0.344 1
1 333 . 4 1 1 A 60 60 ASP HA H 60 4.543 4.288 0.255 1
1 336 . 4 1 1 A 61 61 CYS H H 61 6.557 8.867 -2.310 1
1 337 . 4 1 1 A 61 61 CYS HA H 61 4.728 4.396 0.332 1
1 340 . 4 1 1 A 62 62 HIS H H 62 7.267 8.850 -1.583 1
1 341 . 4 1 1 A 62 62 HIS HA H 62 3.031 4.713 -1.682 1
1 347 . 4 1 1 A 63 63 ALA H H 63 7.251 7.380 -0.129 1
1 348 . 4 1 1 A 63 63 ALA HA H 63 4.202 4.105 0.097 1
1 352 . 4 1 1 A 64 64 PRO HA H 64 3.270 4.307 -1.037 1
1 359 . 4 1 1 A 65 65 HIS H H 65 7.148 8.200 -1.052 1
1 360 . 4 1 1 A 65 65 HIS HA H 65 2.937 4.725 -1.788 1
1 366 . 4 1 1 A 66 66 GLU H H 66 7.113 8.452 -1.339 1
1 367 . 4 1 1 A 66 66 GLU HA H 66 3.936 4.479 -0.543 1
1 371 . 4 1 1 A 67 67 ALA H H 67 7.983 8.645 -0.662 1
1 372 . 4 1 1 A 67 67 ALA HA H 67 3.852 4.354 -0.502 1
1 376 . 4 1 1 A 68 68 LYS H H 68 7.981 8.813 -0.832 1
1 377 . 4 1 1 A 68 68 LYS HA H 68 4.293 4.778 -0.485 1
1 382 . 4 1 1 A 69 69 VAL H H 69 7.859 8.408 -0.549 1
1 383 . 4 1 1 A 69 69 VAL HA H 69 3.207 3.339 -0.132 1
1 391 . 4 1 1 A 70 70 GLY H H 70 8.901 8.692 0.209 1
1 392 . 4 1 1 A 70 70 GLY HA2 H 70 4.234 3.803 0.431 1
1 393 . 4 1 1 A 70 70 GLY HA3 H 70 3.817 3.804 0.013 1
1 394 . 4 1 1 A 71 71 GLU H H 71 7.596 7.752 -0.156 1
1 395 . 4 1 1 A 71 71 GLU HA H 71 4.437 4.600 -0.163 1
1 398 . 4 1 1 A 72 72 LYS H H 72 8.483 8.547 -0.064 1
1 399 . 4 1 1 A 72 72 LYS HA H 72 4.571 4.927 -0.356 1
1 402 . 4 1 1 A 73 73 PRO HA H 73 4.419 4.342 0.077 1
1 409 . 4 1 1 A 74 74 THR H H 74 8.511 8.150 0.361 1
1 410 . 4 1 1 A 74 74 THR HA H 74 5.336 4.633 0.703 1
1 415 . 4 1 1 A 75 75 CYS H H 75 8.998 9.102 -0.104 1
1 416 . 4 1 1 A 75 75 CYS HA H 75 5.967 4.165 1.802 1
1 419 . 4 1 1 A 76 76 ASP H H 76 8.504 8.325 0.179 1
1 420 . 4 1 1 A 76 76 ASP HA H 76 4.565 4.926 -0.361 1
1 422 . 4 1 1 A 77 77 THR H H 77 7.809 8.039 -0.230 1
1 423 . 4 1 1 A 77 77 THR HA H 77 3.983 4.307 -0.324 1
1 428 . 4 1 1 A 78 78 CYS H H 78 6.634 7.920 -1.286 1
1 429 . 4 1 1 A 78 78 CYS HA H 78 4.427 4.544 -0.117 1
1 432 . 4 1 1 A 79 79 HIS H H 79 7.043 8.771 -1.728 1
1 433 . 4 1 1 A 79 79 HIS HA H 79 3.437 4.796 -1.359 1
1 439 . 4 1 1 A 80 80 ASP H H 80 7.826 8.929 -1.103 1
1 440 . 4 1 1 A 80 80 ASP HA H 80 4.464 4.939 -0.475 1
1 443 . 4 1 1 A 81 81 ASP H H 81 7.139 8.353 -1.214 1
1 444 . 4 1 1 A 81 81 ASP HA H 81 4.321 4.793 -0.472 1
1 447 . 4 1 1 A 82 82 GLY H H 82 8.545 8.116 0.429 1
1 448 . 4 1 1 A 82 82 GLY HA2 H 82 3.871 3.964 -0.093 1
1 449 . 4 1 1 A 82 82 GLY HA3 H 82 3.534 3.970 -0.436 1
1 450 . 4 1 1 A 83 83 ARG H H 83 6.845 8.133 -1.288 1
1 451 . 4 1 1 A 83 83 ARG HA H 83 4.250 4.204 0.046 1
1 459 . 4 1 1 A 84 84 THR H H 84 8.063 8.575 -0.512 1
1 460 . 4 1 1 A 84 84 THR HA H 84 5.059 5.064 -0.005 1
1 465 . 4 1 1 A 85 85 ALA H H 85 8.904 8.527 0.377 1
1 466 . 4 1 1 A 85 85 ALA HA H 85 4.736 4.454 0.282 1
1 1 . 5 1 1 A 2 2 ASP HA H 2 4.450 5.284 -0.834 1
1 2 . 5 1 1 A 3 3 GLU H H 3 8.214 8.878 -0.664 1
1 3 . 5 1 1 A 3 3 GLU HA H 3 4.213 4.936 -0.723 1
1 8 . 5 1 1 A 4 4 THR H H 4 8.208 8.719 -0.511 1
1 9 . 5 1 1 A 4 4 THR HA H 4 4.367 4.845 -0.478 1
1 14 . 5 1 1 A 5 5 LEU H H 5 8.068 8.486 -0.418 1
1 15 . 5 1 1 A 5 5 LEU HA H 5 3.094 4.196 -1.102 1
1 25 . 5 1 1 A 6 6 ALA H H 6 7.938 7.921 0.017 1
1 26 . 5 1 1 A 6 6 ALA HA H 6 2.662 3.875 -1.213 1
1 30 . 5 1 1 A 7 7 GLU H H 7 6.938 7.798 -0.860 1
1 31 . 5 1 1 A 7 7 GLU HA H 7 3.273 4.062 -0.789 1
1 36 . 5 1 1 A 8 8 PHE H H 8 7.568 8.238 -0.670 1
1 37 . 5 1 1 A 8 8 PHE HA H 8 3.752 4.118 -0.366 1
1 45 . 5 1 1 A 9 9 HIS H H 9 6.505 7.998 -1.493 1
1 46 . 5 1 1 A 9 9 HIS HA H 9 2.781 4.200 -1.419 1
1 52 . 5 1 1 A 10 10 VAL H H 10 8.569 8.610 -0.041 1
1 53 . 5 1 1 A 10 10 VAL HA H 10 3.499 3.625 -0.126 1
1 61 . 5 1 1 A 11 11 GLU H H 11 7.185 8.556 -1.371 1
1 62 . 5 1 1 A 11 11 GLU HA H 11 3.843 4.015 -0.172 1
1 67 . 5 1 1 A 12 12 MET H H 12 6.578 7.774 -1.196 1
1 68 . 5 1 1 A 12 12 MET HA H 12 4.240 4.431 -0.191 1
1 75 . 5 1 1 A 13 13 GLY H H 13 7.583 8.546 -0.963 1
1 76 . 5 1 1 A 13 13 GLY HA2 H 13 4.459 4.125 0.334 1
1 77 . 5 1 1 A 13 13 GLY HA3 H 13 3.916 4.128 -0.212 1
1 78 . 5 1 1 A 14 14 GLY H H 14 8.818 7.470 1.348 1
1 79 . 5 1 1 A 14 14 GLY HA2 H 14 4.646 4.128 0.518 1
1 80 . 5 1 1 A 14 14 GLY HA3 H 14 4.203 4.129 0.074 1
1 81 . 5 1 1 A 15 15 CYS H H 15 9.211 8.760 0.451 1
1 82 . 5 1 1 A 15 15 CYS HA H 15 5.103 4.450 0.653 1
1 85 . 5 1 1 A 16 16 GLU H H 16 9.687 8.029 1.658 1
1 86 . 5 1 1 A 16 16 GLU HA H 16 4.684 4.815 -0.131 1
1 91 . 5 1 1 A 17 17 ASN H H 17 7.564 7.875 -0.311 1
1 92 . 5 1 1 A 17 17 ASN HA H 17 4.312 4.553 -0.241 1
1 96 . 5 1 1 A 18 18 CYS H H 18 6.420 7.682 -1.262 1
1 97 . 5 1 1 A 18 18 CYS HA H 18 4.663 4.427 0.236 1
1 100 . 5 1 1 A 19 19 HIS H H 19 6.637 7.550 -0.913 1
1 101 . 5 1 1 A 19 19 HIS HA H 19 3.768 5.227 -1.459 1
1 107 . 5 1 1 A 20 20 ALA H H 20 7.669 8.666 -0.997 1
1 108 . 5 1 1 A 20 20 ALA HA H 20 3.596 4.582 -0.986 1
1 112 . 5 1 1 A 21 21 ASP H H 21 9.152 10.400 -1.248 1
1 113 . 5 1 1 A 21 21 ASP HA H 21 4.059 4.299 -0.240 1
1 116 . 5 1 1 A 22 22 GLY H H 22 7.497 8.766 -1.269 1
1 117 . 5 1 1 A 22 22 GLY HA2 H 22 3.774 3.926 -0.152 1
1 118 . 5 1 1 A 22 22 GLY HA3 H 22 2.380 3.929 -1.549 1
1 119 . 5 1 1 A 23 23 GLU H H 23 6.896 7.972 -1.076 1
1 120 . 5 1 1 A 23 23 GLU HA H 23 4.029 4.775 -0.746 1
1 125 . 5 1 1 A 24 24 PRO HA H 24 2.264 4.563 -2.299 1
1 132 . 5 1 1 A 25 25 SER H H 25 8.295 8.540 -0.245 1
1 133 . 5 1 1 A 25 25 SER HA H 25 4.243 4.626 -0.383 1
1 135 . 5 1 1 A 26 26 LYS H H 26 8.813 8.633 0.180 1
1 136 . 5 1 1 A 26 26 LYS HA H 26 4.369 4.553 -0.184 1
1 141 . 5 1 1 A 27 27 ASP H H 27 7.852 8.096 -0.244 1
1 142 . 5 1 1 A 27 27 ASP HA H 27 4.833 4.842 -0.009 1
1 145 . 5 1 1 A 28 28 GLY H H 28 8.560 8.050 0.510 1
1 146 . 5 1 1 A 28 28 GLY HA2 H 28 4.397 3.979 0.418 1
1 147 . 5 1 1 A 28 28 GLY HA3 H 28 4.177 4.011 0.166 1
1 148 . 5 1 1 A 29 29 ALA H H 29 8.375 8.306 0.069 1
1 149 . 5 1 1 A 29 29 ALA HA H 29 4.391 4.123 0.268 1
1 153 . 5 1 1 A 30 30 TYR H H 30 8.661 8.461 0.200 1
1 154 . 5 1 1 A 30 30 TYR HA H 30 4.014 4.067 -0.053 1
1 160 . 5 1 1 A 31 31 GLU H H 31 9.525 8.054 1.471 1
1 161 . 5 1 1 A 31 31 GLU HA H 31 4.238 3.810 0.428 1
1 164 . 5 1 1 A 32 32 PHE H H 32 8.247 9.143 -0.896 1
1 165 . 5 1 1 A 32 32 PHE HA H 32 5.401 4.024 1.377 1
1 172 . 5 1 1 A 33 33 GLU H H 33 8.353 8.126 0.227 1
1 173 . 5 1 1 A 33 33 GLU HA H 33 3.763 3.633 0.130 1
1 178 . 5 1 1 A 34 34 GLN H H 34 8.408 8.599 -0.191 1
1 179 . 5 1 1 A 34 34 GLN HA H 34 4.288 3.915 0.373 1
1 186 . 5 1 1 A 35 35 CYS H H 35 10.043 7.546 2.497 1
1 187 . 5 1 1 A 35 35 CYS HA H 35 5.048 4.603 0.445 1
1 190 . 5 1 1 A 36 36 GLN H H 36 7.667 7.692 -0.025 1
1 191 . 5 1 1 A 36 36 GLN HA H 36 4.122 4.624 -0.502 1
1 197 . 5 1 1 A 37 37 SER H H 37 8.069 7.997 0.072 1
1 198 . 5 1 1 A 37 37 SER HA H 37 4.104 4.698 -0.594 1
1 200 . 5 1 1 A 38 38 CYS H H 38 6.534 8.539 -2.005 1
1 201 . 5 1 1 A 38 38 CYS HA H 38 4.458 4.178 0.280 1
1 204 . 5 1 1 A 39 39 HIS H H 39 7.195 7.852 -0.657 1
1 205 . 5 1 1 A 39 39 HIS HA H 39 3.167 4.675 -1.508 1
1 211 . 5 1 1 A 40 40 GLY H H 40 7.528 7.545 -0.017 1
1 212 . 5 1 1 A 40 40 GLY HA2 H 40 3.838 4.035 -0.197 1
1 213 . 5 1 1 A 40 40 GLY HA3 H 40 3.336 4.053 -0.717 1
1 214 . 5 1 1 A 41 41 SER H H 41 7.364 8.379 -1.015 1
1 215 . 5 1 1 A 41 41 SER HA H 41 4.332 4.983 -0.651 1
1 218 . 5 1 1 A 42 42 LEU H H 42 8.713 9.098 -0.385 1
1 219 . 5 1 1 A 42 42 LEU HA H 42 3.145 4.123 -0.978 1
1 229 . 5 1 1 A 43 43 ALA H H 43 7.277 8.377 -1.100 1
1 230 . 5 1 1 A 43 43 ALA HA H 43 3.522 4.201 -0.679 1
1 234 . 5 1 1 A 44 44 GLU H H 44 6.953 8.426 -1.473 1
1 235 . 5 1 1 A 44 44 GLU HA H 44 4.001 4.522 -0.521 1
1 239 . 5 1 1 A 45 45 MET H H 45 6.301 7.985 -1.684 1
1 240 . 5 1 1 A 45 45 MET HA H 45 3.491 4.794 -1.303 1
1 248 . 5 1 1 A 46 46 ASP H H 46 6.781 8.673 -1.892 1
1 249 . 5 1 1 A 46 46 ASP HA H 46 3.893 4.732 -0.839 1
1 252 . 5 1 1 A 47 47 ASP H H 47 7.863 8.847 -0.984 1
1 253 . 5 1 1 A 47 47 ASP HA H 47 3.940 4.735 -0.795 1
1 256 . 5 1 1 A 48 48 ASN H H 48 7.316 8.096 -0.780 1
1 257 . 5 1 1 A 48 48 ASN HA H 48 4.186 4.751 -0.565 1
1 262 . 5 1 1 A 49 49 HIS H H 49 6.197 8.169 -1.972 1
1 263 . 5 1 1 A 49 49 HIS HA H 49 1.562 4.550 -2.988 1
1 269 . 5 1 1 A 50 50 LYS H H 50 7.161 8.179 -1.018 1
1 270 . 5 1 1 A 50 50 LYS HA H 50 3.125 4.053 -0.928 1
1 276 . 5 1 1 A 51 51 PRO HA H 51 3.694 4.158 -0.464 1
1 283 . 5 1 1 A 52 52 HIS H H 52 6.170 7.648 -1.478 1
1 284 . 5 1 1 A 52 52 HIS HA H 52 2.763 4.287 -1.524 1
1 290 . 5 1 1 A 53 53 ASP H H 53 6.870 8.446 -1.576 1
1 291 . 5 1 1 A 53 53 ASP HA H 53 4.033 4.274 -0.241 1
1 294 . 5 1 1 A 54 54 GLY H H 54 8.685 8.754 -0.069 1
1 295 . 5 1 1 A 54 54 GLY HA2 H 54 4.253 4.028 0.225 1
1 296 . 5 1 1 A 54 54 GLY HA3 H 54 3.660 4.051 -0.391 1
1 297 . 5 1 1 A 55 55 LEU H H 55 7.965 7.875 0.090 1
1 298 . 5 1 1 A 55 55 LEU HA H 55 4.636 4.537 0.099 1
1 307 . 5 1 1 A 56 56 LEU H H 56 7.090 7.789 -0.699 1
1 308 . 5 1 1 A 56 56 LEU HA H 56 4.894 4.906 -0.012 1
1 318 . 5 1 1 A 57 57 MET H H 57 9.052 8.535 0.517 1
1 319 . 5 1 1 A 57 57 MET HA H 57 4.032 4.280 -0.248 1
1 323 . 5 1 1 A 58 58 CYS H H 58 7.800 9.001 -1.201 1
1 324 . 5 1 1 A 58 58 CYS HA H 58 5.550 4.260 1.290 1
1 327 . 5 1 1 A 59 59 ALA H H 59 9.149 8.201 0.948 1
1 328 . 5 1 1 A 59 59 ALA HA H 59 4.072 4.108 -0.036 1
1 332 . 5 1 1 A 60 60 ASP H H 60 7.878 8.274 -0.396 1
1 333 . 5 1 1 A 60 60 ASP HA H 60 4.543 4.300 0.243 1
1 336 . 5 1 1 A 61 61 CYS H H 61 6.557 9.063 -2.506 1
1 337 . 5 1 1 A 61 61 CYS HA H 61 4.728 4.403 0.325 1
1 340 . 5 1 1 A 62 62 HIS H H 62 7.267 8.985 -1.718 1
1 341 . 5 1 1 A 62 62 HIS HA H 62 3.031 4.715 -1.684 1
1 347 . 5 1 1 A 63 63 ALA H H 63 7.251 7.306 -0.055 1
1 348 . 5 1 1 A 63 63 ALA HA H 63 4.202 4.117 0.085 1
1 352 . 5 1 1 A 64 64 PRO HA H 64 3.270 4.306 -1.036 1
1 359 . 5 1 1 A 65 65 HIS H H 65 7.148 8.196 -1.048 1
1 360 . 5 1 1 A 65 65 HIS HA H 65 2.937 4.755 -1.818 1
1 366 . 5 1 1 A 66 66 GLU H H 66 7.113 8.402 -1.289 1
1 367 . 5 1 1 A 66 66 GLU HA H 66 3.936 4.540 -0.604 1
1 371 . 5 1 1 A 67 67 ALA H H 67 7.983 8.589 -0.606 1
1 372 . 5 1 1 A 67 67 ALA HA H 67 3.852 4.352 -0.500 1
1 376 . 5 1 1 A 68 68 LYS H H 68 7.981 8.812 -0.831 1
1 377 . 5 1 1 A 68 68 LYS HA H 68 4.293 4.782 -0.489 1
1 382 . 5 1 1 A 69 69 VAL H H 69 7.859 8.440 -0.581 1
1 383 . 5 1 1 A 69 69 VAL HA H 69 3.207 3.359 -0.152 1
1 391 . 5 1 1 A 70 70 GLY H H 70 8.901 8.780 0.121 1
1 392 . 5 1 1 A 70 70 GLY HA2 H 70 4.234 3.855 0.379 1
1 393 . 5 1 1 A 70 70 GLY HA3 H 70 3.817 3.857 -0.040 1
1 394 . 5 1 1 A 71 71 GLU H H 71 7.596 7.692 -0.096 1
1 395 . 5 1 1 A 71 71 GLU HA H 71 4.437 4.766 -0.329 1
1 398 . 5 1 1 A 72 72 LYS H H 72 8.483 8.407 0.076 1
1 399 . 5 1 1 A 72 72 LYS HA H 72 4.571 4.615 -0.044 1
1 402 . 5 1 1 A 73 73 PRO HA H 73 4.419 4.430 -0.011 1
1 409 . 5 1 1 A 74 74 THR H H 74 8.511 8.273 0.238 1
1 410 . 5 1 1 A 74 74 THR HA H 74 5.336 4.768 0.568 1
1 415 . 5 1 1 A 75 75 CYS H H 75 8.998 9.231 -0.233 1
1 416 . 5 1 1 A 75 75 CYS HA H 75 5.967 4.145 1.822 1
1 419 . 5 1 1 A 76 76 ASP H H 76 8.504 8.308 0.196 1
1 420 . 5 1 1 A 76 76 ASP HA H 76 4.565 4.914 -0.349 1
1 422 . 5 1 1 A 77 77 THR H H 77 7.809 8.418 -0.609 1
1 423 . 5 1 1 A 77 77 THR HA H 77 3.983 4.319 -0.336 1
1 428 . 5 1 1 A 78 78 CYS H H 78 6.634 7.887 -1.253 1
1 429 . 5 1 1 A 78 78 CYS HA H 78 4.427 4.545 -0.118 1
1 432 . 5 1 1 A 79 79 HIS H H 79 7.043 8.697 -1.654 1
1 433 . 5 1 1 A 79 79 HIS HA H 79 3.437 4.795 -1.358 1
1 439 . 5 1 1 A 80 80 ASP H H 80 7.826 8.953 -1.127 1
1 440 . 5 1 1 A 80 80 ASP HA H 80 4.464 5.024 -0.560 1
1 443 . 5 1 1 A 81 81 ASP H H 81 7.139 8.350 -1.211 1
1 444 . 5 1 1 A 81 81 ASP HA H 81 4.321 4.785 -0.464 1
1 447 . 5 1 1 A 82 82 GLY H H 82 8.545 8.097 0.448 1
1 448 . 5 1 1 A 82 82 GLY HA2 H 82 3.871 3.941 -0.070 1
1 449 . 5 1 1 A 82 82 GLY HA3 H 82 3.534 3.948 -0.414 1
1 450 . 5 1 1 A 83 83 ARG H H 83 6.845 7.826 -0.981 1
1 451 . 5 1 1 A 83 83 ARG HA H 83 4.250 4.239 0.011 1
1 459 . 5 1 1 A 84 84 THR H H 84 8.063 8.565 -0.502 1
1 460 . 5 1 1 A 84 84 THR HA H 84 5.059 5.135 -0.076 1
1 465 . 5 1 1 A 85 85 ALA H H 85 8.904 8.580 0.324 1
1 466 . 5 1 1 A 85 85 ALA HA H 85 4.736 4.543 0.193 1
1 1 . 6 1 1 A 2 2 ASP HA H 2 4.450 4.427 0.023 1
1 2 . 6 1 1 A 3 3 GLU H H 3 8.214 8.166 0.048 1
1 3 . 6 1 1 A 3 3 GLU HA H 3 4.213 4.720 -0.507 1
1 8 . 6 1 1 A 4 4 THR H H 4 8.208 8.804 -0.596 1
1 9 . 6 1 1 A 4 4 THR HA H 4 4.367 4.977 -0.610 1
1 14 . 6 1 1 A 5 5 LEU H H 5 8.068 8.400 -0.332 1
1 15 . 6 1 1 A 5 5 LEU HA H 5 3.094 4.211 -1.117 1
1 25 . 6 1 1 A 6 6 ALA H H 6 7.938 8.341 -0.403 1
1 26 . 6 1 1 A 6 6 ALA HA H 6 2.662 3.944 -1.282 1
1 30 . 6 1 1 A 7 7 GLU H H 7 6.938 7.620 -0.682 1
1 31 . 6 1 1 A 7 7 GLU HA H 7 3.273 4.111 -0.838 1
1 36 . 6 1 1 A 8 8 PHE H H 8 7.568 8.210 -0.642 1
1 37 . 6 1 1 A 8 8 PHE HA H 8 3.752 4.134 -0.382 1
1 45 . 6 1 1 A 9 9 HIS H H 9 6.505 7.997 -1.492 1
1 46 . 6 1 1 A 9 9 HIS HA H 9 2.781 4.154 -1.373 1
1 52 . 6 1 1 A 10 10 VAL H H 10 8.569 8.495 0.074 1
1 53 . 6 1 1 A 10 10 VAL HA H 10 3.499 3.451 0.048 1
1 61 . 6 1 1 A 11 11 GLU H H 11 7.185 8.625 -1.440 1
1 62 . 6 1 1 A 11 11 GLU HA H 11 3.843 4.037 -0.194 1
1 67 . 6 1 1 A 12 12 MET H H 12 6.578 7.716 -1.138 1
1 68 . 6 1 1 A 12 12 MET HA H 12 4.240 4.426 -0.186 1
1 75 . 6 1 1 A 13 13 GLY H H 13 7.583 8.513 -0.930 1
1 76 . 6 1 1 A 13 13 GLY HA2 H 13 4.459 4.123 0.336 1
1 77 . 6 1 1 A 13 13 GLY HA3 H 13 3.916 4.126 -0.210 1
1 78 . 6 1 1 A 14 14 GLY H H 14 8.818 7.472 1.346 1
1 79 . 6 1 1 A 14 14 GLY HA2 H 14 4.646 4.127 0.519 1
1 80 . 6 1 1 A 14 14 GLY HA3 H 14 4.203 4.128 0.075 1
1 81 . 6 1 1 A 15 15 CYS H H 15 9.211 8.767 0.444 1
1 82 . 6 1 1 A 15 15 CYS HA H 15 5.103 4.434 0.669 1
1 85 . 6 1 1 A 16 16 GLU H H 16 9.687 7.944 1.743 1
1 86 . 6 1 1 A 16 16 GLU HA H 16 4.684 4.782 -0.098 1
1 91 . 6 1 1 A 17 17 ASN H H 17 7.564 7.858 -0.294 1
1 92 . 6 1 1 A 17 17 ASN HA H 17 4.312 4.493 -0.181 1
1 96 . 6 1 1 A 18 18 CYS H H 18 6.420 7.684 -1.264 1
1 97 . 6 1 1 A 18 18 CYS HA H 18 4.663 4.426 0.237 1
1 100 . 6 1 1 A 19 19 HIS H H 19 6.637 7.545 -0.908 1
1 101 . 6 1 1 A 19 19 HIS HA H 19 3.768 5.208 -1.440 1
1 107 . 6 1 1 A 20 20 ALA H H 20 7.669 8.658 -0.989 1
1 108 . 6 1 1 A 20 20 ALA HA H 20 3.596 4.698 -1.102 1
1 112 . 6 1 1 A 21 21 ASP H H 21 9.152 9.975 -0.823 1
1 113 . 6 1 1 A 21 21 ASP HA H 21 4.059 4.383 -0.324 1
1 116 . 6 1 1 A 22 22 GLY H H 22 7.497 8.748 -1.251 1
1 117 . 6 1 1 A 22 22 GLY HA2 H 22 3.774 3.927 -0.153 1
1 118 . 6 1 1 A 22 22 GLY HA3 H 22 2.380 3.945 -1.565 1
1 119 . 6 1 1 A 23 23 GLU H H 23 6.896 7.968 -1.072 1
1 120 . 6 1 1 A 23 23 GLU HA H 23 4.029 4.706 -0.677 1
1 125 . 6 1 1 A 24 24 PRO HA H 24 2.264 4.582 -2.318 1
1 132 . 6 1 1 A 25 25 SER H H 25 8.295 8.927 -0.632 1
1 133 . 6 1 1 A 25 25 SER HA H 25 4.243 4.658 -0.415 1
1 135 . 6 1 1 A 26 26 LYS H H 26 8.813 8.640 0.173 1
1 136 . 6 1 1 A 26 26 LYS HA H 26 4.369 4.539 -0.170 1
1 141 . 6 1 1 A 27 27 ASP H H 27 7.852 8.179 -0.327 1
1 142 . 6 1 1 A 27 27 ASP HA H 27 4.833 4.843 -0.010 1
1 145 . 6 1 1 A 28 28 GLY H H 28 8.560 7.915 0.645 1
1 146 . 6 1 1 A 28 28 GLY HA2 H 28 4.397 3.981 0.416 1
1 147 . 6 1 1 A 28 28 GLY HA3 H 28 4.177 4.008 0.169 1
1 148 . 6 1 1 A 29 29 ALA H H 29 8.375 8.293 0.082 1
1 149 . 6 1 1 A 29 29 ALA HA H 29 4.391 4.135 0.256 1
1 153 . 6 1 1 A 30 30 TYR H H 30 8.661 8.614 0.047 1
1 154 . 6 1 1 A 30 30 TYR HA H 30 4.014 3.985 0.029 1
1 160 . 6 1 1 A 31 31 GLU H H 31 9.525 8.007 1.518 1
1 161 . 6 1 1 A 31 31 GLU HA H 31 4.238 3.820 0.418 1
1 164 . 6 1 1 A 32 32 PHE H H 32 8.247 8.517 -0.270 1
1 165 . 6 1 1 A 32 32 PHE HA H 32 5.401 3.987 1.414 1
1 172 . 6 1 1 A 33 33 GLU H H 33 8.353 8.221 0.132 1
1 173 . 6 1 1 A 33 33 GLU HA H 33 3.763 3.499 0.264 1
1 178 . 6 1 1 A 34 34 GLN H H 34 8.408 8.538 -0.130 1
1 179 . 6 1 1 A 34 34 GLN HA H 34 4.288 3.950 0.338 1
1 186 . 6 1 1 A 35 35 CYS H H 35 10.043 7.664 2.379 1
1 187 . 6 1 1 A 35 35 CYS HA H 35 5.048 4.654 0.394 1
1 190 . 6 1 1 A 36 36 GLN H H 36 7.667 7.634 0.033 1
1 191 . 6 1 1 A 36 36 GLN HA H 36 4.122 4.584 -0.462 1
1 197 . 6 1 1 A 37 37 SER H H 37 8.069 8.368 -0.299 1
1 198 . 6 1 1 A 37 37 SER HA H 37 4.104 4.714 -0.610 1
1 200 . 6 1 1 A 38 38 CYS H H 38 6.534 8.593 -2.059 1
1 201 . 6 1 1 A 38 38 CYS HA H 38 4.458 4.152 0.306 1
1 204 . 6 1 1 A 39 39 HIS H H 39 7.195 7.940 -0.745 1
1 205 . 6 1 1 A 39 39 HIS HA H 39 3.167 4.713 -1.546 1
1 211 . 6 1 1 A 40 40 GLY H H 40 7.528 7.576 -0.048 1
1 212 . 6 1 1 A 40 40 GLY HA2 H 40 3.838 4.052 -0.214 1
1 213 . 6 1 1 A 40 40 GLY HA3 H 40 3.336 4.065 -0.729 1
1 214 . 6 1 1 A 41 41 SER H H 41 7.364 8.392 -1.028 1
1 215 . 6 1 1 A 41 41 SER HA H 41 4.332 5.233 -0.901 1
1 218 . 6 1 1 A 42 42 LEU H H 42 8.713 9.095 -0.382 1
1 219 . 6 1 1 A 42 42 LEU HA H 42 3.145 4.143 -0.998 1
1 229 . 6 1 1 A 43 43 ALA H H 43 7.277 7.840 -0.563 1
1 230 . 6 1 1 A 43 43 ALA HA H 43 3.522 4.243 -0.721 1
1 234 . 6 1 1 A 44 44 GLU H H 44 6.953 9.065 -2.112 1
1 235 . 6 1 1 A 44 44 GLU HA H 44 4.001 4.498 -0.497 1
1 239 . 6 1 1 A 45 45 MET H H 45 6.301 7.622 -1.321 1
1 240 . 6 1 1 A 45 45 MET HA H 45 3.491 4.772 -1.281 1
1 248 . 6 1 1 A 46 46 ASP H H 46 6.781 8.634 -1.853 1
1 249 . 6 1 1 A 46 46 ASP HA H 46 3.893 4.711 -0.818 1
1 252 . 6 1 1 A 47 47 ASP H H 47 7.863 8.787 -0.924 1
1 253 . 6 1 1 A 47 47 ASP HA H 47 3.940 4.709 -0.769 1
1 256 . 6 1 1 A 48 48 ASN H H 48 7.316 8.082 -0.766 1
1 257 . 6 1 1 A 48 48 ASN HA H 48 4.186 4.783 -0.597 1
1 262 . 6 1 1 A 49 49 HIS H H 49 6.197 8.038 -1.841 1
1 263 . 6 1 1 A 49 49 HIS HA H 49 1.562 4.556 -2.994 1
1 269 . 6 1 1 A 50 50 LYS H H 50 7.161 7.922 -0.761 1
1 270 . 6 1 1 A 50 50 LYS HA H 50 3.125 3.960 -0.835 1
1 276 . 6 1 1 A 51 51 PRO HA H 51 3.694 4.173 -0.479 1
1 283 . 6 1 1 A 52 52 HIS H H 52 6.170 7.371 -1.201 1
1 284 . 6 1 1 A 52 52 HIS HA H 52 2.763 4.270 -1.507 1
1 290 . 6 1 1 A 53 53 ASP H H 53 6.870 8.328 -1.458 1
1 291 . 6 1 1 A 53 53 ASP HA H 53 4.033 4.313 -0.280 1
1 294 . 6 1 1 A 54 54 GLY H H 54 8.685 8.622 0.063 1
1 295 . 6 1 1 A 54 54 GLY HA2 H 54 4.253 4.059 0.194 1
1 296 . 6 1 1 A 54 54 GLY HA3 H 54 3.660 4.072 -0.412 1
1 297 . 6 1 1 A 55 55 LEU H H 55 7.965 8.097 -0.132 1
1 298 . 6 1 1 A 55 55 LEU HA H 55 4.636 4.543 0.093 1
1 307 . 6 1 1 A 56 56 LEU H H 56 7.090 7.682 -0.592 1
1 308 . 6 1 1 A 56 56 LEU HA H 56 4.894 4.736 0.158 1
1 318 . 6 1 1 A 57 57 MET H H 57 9.052 8.553 0.499 1
1 319 . 6 1 1 A 57 57 MET HA H 57 4.032 4.001 0.031 1
1 323 . 6 1 1 A 58 58 CYS H H 58 7.800 8.780 -0.980 1
1 324 . 6 1 1 A 58 58 CYS HA H 58 5.550 4.167 1.383 1
1 327 . 6 1 1 A 59 59 ALA H H 59 9.149 8.187 0.962 1
1 328 . 6 1 1 A 59 59 ALA HA H 59 4.072 4.096 -0.024 1
1 332 . 6 1 1 A 60 60 ASP H H 60 7.878 8.253 -0.375 1
1 333 . 6 1 1 A 60 60 ASP HA H 60 4.543 4.271 0.272 1
1 336 . 6 1 1 A 61 61 CYS H H 61 6.557 8.978 -2.421 1
1 337 . 6 1 1 A 61 61 CYS HA H 61 4.728 4.404 0.324 1
1 340 . 6 1 1 A 62 62 HIS H H 62 7.267 9.291 -2.024 1
1 341 . 6 1 1 A 62 62 HIS HA H 62 3.031 4.804 -1.773 1
1 347 . 6 1 1 A 63 63 ALA H H 63 7.251 7.395 -0.144 1
1 348 . 6 1 1 A 63 63 ALA HA H 63 4.202 4.097 0.105 1
1 352 . 6 1 1 A 64 64 PRO HA H 64 3.270 4.320 -1.050 1
1 359 . 6 1 1 A 65 65 HIS H H 65 7.148 8.317 -1.169 1
1 360 . 6 1 1 A 65 65 HIS HA H 65 2.937 4.669 -1.732 1
1 366 . 6 1 1 A 66 66 GLU H H 66 7.113 8.617 -1.504 1
1 367 . 6 1 1 A 66 66 GLU HA H 66 3.936 4.397 -0.461 1
1 371 . 6 1 1 A 67 67 ALA H H 67 7.983 8.989 -1.006 1
1 372 . 6 1 1 A 67 67 ALA HA H 67 3.852 4.386 -0.534 1
1 376 . 6 1 1 A 68 68 LYS H H 68 7.981 9.058 -1.077 1
1 377 . 6 1 1 A 68 68 LYS HA H 68 4.293 5.101 -0.808 1
1 382 . 6 1 1 A 69 69 VAL H H 69 7.859 8.236 -0.377 1
1 383 . 6 1 1 A 69 69 VAL HA H 69 3.207 3.354 -0.147 1
1 391 . 6 1 1 A 70 70 GLY H H 70 8.901 8.707 0.194 1
1 392 . 6 1 1 A 70 70 GLY HA2 H 70 4.234 3.822 0.412 1
1 393 . 6 1 1 A 70 70 GLY HA3 H 70 3.817 3.824 -0.007 1
1 394 . 6 1 1 A 71 71 GLU H H 71 7.596 7.822 -0.226 1
1 395 . 6 1 1 A 71 71 GLU HA H 71 4.437 4.620 -0.183 1
1 398 . 6 1 1 A 72 72 LYS H H 72 8.483 8.545 -0.062 1
1 399 . 6 1 1 A 72 72 LYS HA H 72 4.571 4.897 -0.326 1
1 402 . 6 1 1 A 73 73 PRO HA H 73 4.419 4.288 0.131 1
1 409 . 6 1 1 A 74 74 THR H H 74 8.511 8.111 0.400 1
1 410 . 6 1 1 A 74 74 THR HA H 74 5.336 4.638 0.698 1
1 415 . 6 1 1 A 75 75 CYS H H 75 8.998 9.058 -0.060 1
1 416 . 6 1 1 A 75 75 CYS HA H 75 5.967 4.082 1.885 1
1 419 . 6 1 1 A 76 76 ASP H H 76 8.504 8.237 0.267 1
1 420 . 6 1 1 A 76 76 ASP HA H 76 4.565 4.741 -0.176 1
1 422 . 6 1 1 A 77 77 THR H H 77 7.809 7.570 0.239 1
1 423 . 6 1 1 A 77 77 THR HA H 77 3.983 3.869 0.114 1
1 428 . 6 1 1 A 78 78 CYS H H 78 6.634 8.474 -1.840 1
1 429 . 6 1 1 A 78 78 CYS HA H 78 4.427 4.454 -0.027 1
1 432 . 6 1 1 A 79 79 HIS H H 79 7.043 8.243 -1.200 1
1 433 . 6 1 1 A 79 79 HIS HA H 79 3.437 4.722 -1.285 1
1 439 . 6 1 1 A 80 80 ASP H H 80 7.826 8.682 -0.856 1
1 440 . 6 1 1 A 80 80 ASP HA H 80 4.464 4.654 -0.190 1
1 443 . 6 1 1 A 81 81 ASP H H 81 7.139 8.008 -0.869 1
1 444 . 6 1 1 A 81 81 ASP HA H 81 4.321 4.637 -0.316 1
1 447 . 6 1 1 A 82 82 GLY H H 82 8.545 8.211 0.334 1
1 448 . 6 1 1 A 82 82 GLY HA2 H 82 3.871 3.959 -0.088 1
1 449 . 6 1 1 A 82 82 GLY HA3 H 82 3.534 3.963 -0.429 1
1 450 . 6 1 1 A 83 83 ARG H H 83 6.845 8.341 -1.496 1
1 451 . 6 1 1 A 83 83 ARG HA H 83 4.250 4.246 0.004 1
1 459 . 6 1 1 A 84 84 THR H H 84 8.063 8.593 -0.530 1
1 460 . 6 1 1 A 84 84 THR HA H 84 5.059 5.068 -0.009 1
1 465 . 6 1 1 A 85 85 ALA H H 85 8.904 8.601 0.303 1
1 466 . 6 1 1 A 85 85 ALA HA H 85 4.736 4.350 0.386 1
1 1 . 7 1 1 A 2 2 ASP HA H 2 4.450 4.286 0.164 1
1 2 . 7 1 1 A 3 3 GLU H H 3 8.214 8.174 0.040 1
1 3 . 7 1 1 A 3 3 GLU HA H 3 4.213 5.006 -0.793 1
1 8 . 7 1 1 A 4 4 THR H H 4 8.208 8.841 -0.633 1
1 9 . 7 1 1 A 4 4 THR HA H 4 4.367 4.631 -0.264 1
1 14 . 7 1 1 A 5 5 LEU H H 5 8.068 8.609 -0.541 1
1 15 . 7 1 1 A 5 5 LEU HA H 5 3.094 4.211 -1.117 1
1 25 . 7 1 1 A 6 6 ALA H H 6 7.938 8.310 -0.372 1
1 26 . 7 1 1 A 6 6 ALA HA H 6 2.662 3.924 -1.262 1
1 30 . 7 1 1 A 7 7 GLU H H 7 6.938 7.895 -0.957 1
1 31 . 7 1 1 A 7 7 GLU HA H 7 3.273 4.100 -0.827 1
1 36 . 7 1 1 A 8 8 PHE H H 8 7.568 8.178 -0.610 1
1 37 . 7 1 1 A 8 8 PHE HA H 8 3.752 4.134 -0.382 1
1 45 . 7 1 1 A 9 9 HIS H H 9 6.505 8.051 -1.546 1
1 46 . 7 1 1 A 9 9 HIS HA H 9 2.781 4.176 -1.395 1
1 52 . 7 1 1 A 10 10 VAL H H 10 8.569 8.438 0.131 1
1 53 . 7 1 1 A 10 10 VAL HA H 10 3.499 3.456 0.043 1
1 61 . 7 1 1 A 11 11 GLU H H 11 7.185 8.620 -1.435 1
1 62 . 7 1 1 A 11 11 GLU HA H 11 3.843 4.020 -0.177 1
1 67 . 7 1 1 A 12 12 MET H H 12 6.578 7.634 -1.056 1
1 68 . 7 1 1 A 12 12 MET HA H 12 4.240 4.436 -0.196 1
1 75 . 7 1 1 A 13 13 GLY H H 13 7.583 8.472 -0.889 1
1 76 . 7 1 1 A 13 13 GLY HA2 H 13 4.459 4.129 0.330 1
1 77 . 7 1 1 A 13 13 GLY HA3 H 13 3.916 4.133 -0.217 1
1 78 . 7 1 1 A 14 14 GLY H H 14 8.818 7.477 1.341 1
1 79 . 7 1 1 A 14 14 GLY HA2 H 14 4.646 4.131 0.515 1
1 80 . 7 1 1 A 14 14 GLY HA3 H 14 4.203 4.132 0.071 1
1 81 . 7 1 1 A 15 15 CYS H H 15 9.211 8.770 0.441 1
1 82 . 7 1 1 A 15 15 CYS HA H 15 5.103 4.444 0.659 1
1 85 . 7 1 1 A 16 16 GLU H H 16 9.687 7.978 1.709 1
1 86 . 7 1 1 A 16 16 GLU HA H 16 4.684 4.772 -0.088 1
1 91 . 7 1 1 A 17 17 ASN H H 17 7.564 7.838 -0.274 1
1 92 . 7 1 1 A 17 17 ASN HA H 17 4.312 4.499 -0.187 1
1 96 . 7 1 1 A 18 18 CYS H H 18 6.420 7.220 -0.800 1
1 97 . 7 1 1 A 18 18 CYS HA H 18 4.663 4.445 0.218 1
1 100 . 7 1 1 A 19 19 HIS H H 19 6.637 7.563 -0.926 1
1 101 . 7 1 1 A 19 19 HIS HA H 19 3.768 5.251 -1.483 1
1 107 . 7 1 1 A 20 20 ALA H H 20 7.669 8.796 -1.127 1
1 108 . 7 1 1 A 20 20 ALA HA H 20 3.596 4.586 -0.990 1
1 112 . 7 1 1 A 21 21 ASP H H 21 9.152 9.247 -0.095 1
1 113 . 7 1 1 A 21 21 ASP HA H 21 4.059 4.557 -0.498 1
1 116 . 7 1 1 A 22 22 GLY H H 22 7.497 8.752 -1.255 1
1 117 . 7 1 1 A 22 22 GLY HA2 H 22 3.774 3.929 -0.155 1
1 118 . 7 1 1 A 22 22 GLY HA3 H 22 2.380 3.945 -1.565 1
1 119 . 7 1 1 A 23 23 GLU H H 23 6.896 7.911 -1.015 1
1 120 . 7 1 1 A 23 23 GLU HA H 23 4.029 4.775 -0.746 1
1 125 . 7 1 1 A 24 24 PRO HA H 24 2.264 4.518 -2.254 1
1 132 . 7 1 1 A 25 25 SER H H 25 8.295 8.513 -0.218 1
1 133 . 7 1 1 A 25 25 SER HA H 25 4.243 4.638 -0.395 1
1 135 . 7 1 1 A 26 26 LYS H H 26 8.813 8.615 0.198 1
1 136 . 7 1 1 A 26 26 LYS HA H 26 4.369 4.515 -0.146 1
1 141 . 7 1 1 A 27 27 ASP H H 27 7.852 8.173 -0.321 1
1 142 . 7 1 1 A 27 27 ASP HA H 27 4.833 4.830 0.003 1
1 145 . 7 1 1 A 28 28 GLY H H 28 8.560 7.779 0.781 1
1 146 . 7 1 1 A 28 28 GLY HA2 H 28 4.397 3.985 0.412 1
1 147 . 7 1 1 A 28 28 GLY HA3 H 28 4.177 4.012 0.165 1
1 148 . 7 1 1 A 29 29 ALA H H 29 8.375 8.297 0.078 1
1 149 . 7 1 1 A 29 29 ALA HA H 29 4.391 4.180 0.211 1
1 153 . 7 1 1 A 30 30 TYR H H 30 8.661 8.495 0.166 1
1 154 . 7 1 1 A 30 30 TYR HA H 30 4.014 4.066 -0.052 1
1 160 . 7 1 1 A 31 31 GLU H H 31 9.525 8.238 1.287 1
1 161 . 7 1 1 A 31 31 GLU HA H 31 4.238 3.859 0.379 1
1 164 . 7 1 1 A 32 32 PHE H H 32 8.247 8.339 -0.092 1
1 165 . 7 1 1 A 32 32 PHE HA H 32 5.401 3.997 1.404 1
1 172 . 7 1 1 A 33 33 GLU H H 33 8.353 8.058 0.295 1
1 173 . 7 1 1 A 33 33 GLU HA H 33 3.763 3.691 0.072 1
1 178 . 7 1 1 A 34 34 GLN H H 34 8.408 8.369 0.039 1
1 179 . 7 1 1 A 34 34 GLN HA H 34 4.288 3.940 0.348 1
1 186 . 7 1 1 A 35 35 CYS H H 35 10.043 7.275 2.768 1
1 187 . 7 1 1 A 35 35 CYS HA H 35 5.048 4.702 0.346 1
1 190 . 7 1 1 A 36 36 GLN H H 36 7.667 7.553 0.114 1
1 191 . 7 1 1 A 36 36 GLN HA H 36 4.122 4.632 -0.510 1
1 197 . 7 1 1 A 37 37 SER H H 37 8.069 8.455 -0.386 1
1 198 . 7 1 1 A 37 37 SER HA H 37 4.104 4.675 -0.571 1
1 200 . 7 1 1 A 38 38 CYS H H 38 6.534 8.608 -2.074 1
1 201 . 7 1 1 A 38 38 CYS HA H 38 4.458 4.158 0.300 1
1 204 . 7 1 1 A 39 39 HIS H H 39 7.195 7.951 -0.756 1
1 205 . 7 1 1 A 39 39 HIS HA H 39 3.167 4.719 -1.552 1
1 211 . 7 1 1 A 40 40 GLY H H 40 7.528 7.591 -0.063 1
1 212 . 7 1 1 A 40 40 GLY HA2 H 40 3.838 4.064 -0.226 1
1 213 . 7 1 1 A 40 40 GLY HA3 H 40 3.336 4.076 -0.740 1
1 214 . 7 1 1 A 41 41 SER H H 41 7.364 8.470 -1.106 1
1 215 . 7 1 1 A 41 41 SER HA H 41 4.332 5.232 -0.900 1
1 218 . 7 1 1 A 42 42 LEU H H 42 8.713 9.146 -0.433 1
1 219 . 7 1 1 A 42 42 LEU HA H 42 3.145 4.174 -1.029 1
1 229 . 7 1 1 A 43 43 ALA H H 43 7.277 7.954 -0.677 1
1 230 . 7 1 1 A 43 43 ALA HA H 43 3.522 4.255 -0.733 1
1 234 . 7 1 1 A 44 44 GLU H H 44 6.953 8.749 -1.796 1
1 235 . 7 1 1 A 44 44 GLU HA H 44 4.001 4.611 -0.610 1
1 239 . 7 1 1 A 45 45 MET H H 45 6.301 7.619 -1.318 1
1 240 . 7 1 1 A 45 45 MET HA H 45 3.491 4.805 -1.314 1
1 248 . 7 1 1 A 46 46 ASP H H 46 6.781 8.739 -1.958 1
1 249 . 7 1 1 A 46 46 ASP HA H 46 3.893 4.626 -0.733 1
1 252 . 7 1 1 A 47 47 ASP H H 47 7.863 8.900 -1.037 1
1 253 . 7 1 1 A 47 47 ASP HA H 47 3.940 4.629 -0.689 1
1 256 . 7 1 1 A 48 48 ASN H H 48 7.316 8.115 -0.799 1
1 257 . 7 1 1 A 48 48 ASN HA H 48 4.186 4.723 -0.537 1
1 262 . 7 1 1 A 49 49 HIS H H 49 6.197 7.322 -1.125 1
1 263 . 7 1 1 A 49 49 HIS HA H 49 1.562 4.669 -3.107 1
1 269 . 7 1 1 A 50 50 LYS H H 50 7.161 8.053 -0.892 1
1 270 . 7 1 1 A 50 50 LYS HA H 50 3.125 4.109 -0.984 1
1 276 . 7 1 1 A 51 51 PRO HA H 51 3.694 4.183 -0.489 1
1 283 . 7 1 1 A 52 52 HIS H H 52 6.170 7.360 -1.190 1
1 284 . 7 1 1 A 52 52 HIS HA H 52 2.763 4.241 -1.478 1
1 290 . 7 1 1 A 53 53 ASP H H 53 6.870 8.592 -1.722 1
1 291 . 7 1 1 A 53 53 ASP HA H 53 4.033 4.272 -0.239 1
1 294 . 7 1 1 A 54 54 GLY H H 54 8.685 8.809 -0.124 1
1 295 . 7 1 1 A 54 54 GLY HA2 H 54 4.253 4.052 0.201 1
1 296 . 7 1 1 A 54 54 GLY HA3 H 54 3.660 4.064 -0.404 1
1 297 . 7 1 1 A 55 55 LEU H H 55 7.965 7.977 -0.012 1
1 298 . 7 1 1 A 55 55 LEU HA H 55 4.636 4.546 0.090 1
1 307 . 7 1 1 A 56 56 LEU H H 56 7.090 7.715 -0.625 1
1 308 . 7 1 1 A 56 56 LEU HA H 56 4.894 4.874 0.020 1
1 318 . 7 1 1 A 57 57 MET H H 57 9.052 8.288 0.764 1
1 319 . 7 1 1 A 57 57 MET HA H 57 4.032 3.949 0.083 1
1 323 . 7 1 1 A 58 58 CYS H H 58 7.800 8.698 -0.898 1
1 324 . 7 1 1 A 58 58 CYS HA H 58 5.550 4.142 1.408 1
1 327 . 7 1 1 A 59 59 ALA H H 59 9.149 8.206 0.943 1
1 328 . 7 1 1 A 59 59 ALA HA H 59 4.072 4.062 0.010 1
1 332 . 7 1 1 A 60 60 ASP H H 60 7.878 8.283 -0.405 1
1 333 . 7 1 1 A 60 60 ASP HA H 60 4.543 4.236 0.307 1
1 336 . 7 1 1 A 61 61 CYS H H 61 6.557 9.232 -2.675 1
1 337 . 7 1 1 A 61 61 CYS HA H 61 4.728 4.346 0.382 1
1 340 . 7 1 1 A 62 62 HIS H H 62 7.267 8.157 -0.890 1
1 341 . 7 1 1 A 62 62 HIS HA H 62 3.031 4.725 -1.694 1
1 347 . 7 1 1 A 63 63 ALA H H 63 7.251 7.650 -0.399 1
1 348 . 7 1 1 A 63 63 ALA HA H 63 4.202 4.109 0.093 1
1 352 . 7 1 1 A 64 64 PRO HA H 64 3.270 4.305 -1.035 1
1 359 . 7 1 1 A 65 65 HIS H H 65 7.148 8.302 -1.154 1
1 360 . 7 1 1 A 65 65 HIS HA H 65 2.937 4.698 -1.761 1
1 366 . 7 1 1 A 66 66 GLU H H 66 7.113 8.546 -1.433 1
1 367 . 7 1 1 A 66 66 GLU HA H 66 3.936 4.398 -0.462 1
1 371 . 7 1 1 A 67 67 ALA H H 67 7.983 9.039 -1.056 1
1 372 . 7 1 1 A 67 67 ALA HA H 67 3.852 4.410 -0.558 1
1 376 . 7 1 1 A 68 68 LYS H H 68 7.981 8.986 -1.005 1
1 377 . 7 1 1 A 68 68 LYS HA H 68 4.293 4.956 -0.663 1
1 382 . 7 1 1 A 69 69 VAL H H 69 7.859 8.155 -0.296 1
1 383 . 7 1 1 A 69 69 VAL HA H 69 3.207 3.344 -0.137 1
1 391 . 7 1 1 A 70 70 GLY H H 70 8.901 8.703 0.198 1
1 392 . 7 1 1 A 70 70 GLY HA2 H 70 4.234 3.822 0.412 1
1 393 . 7 1 1 A 70 70 GLY HA3 H 70 3.817 3.822 -0.005 1
1 394 . 7 1 1 A 71 71 GLU H H 71 7.596 7.703 -0.107 1
1 395 . 7 1 1 A 71 71 GLU HA H 71 4.437 4.668 -0.231 1
1 398 . 7 1 1 A 72 72 LYS H H 72 8.483 8.500 -0.017 1
1 399 . 7 1 1 A 72 72 LYS HA H 72 4.571 4.985 -0.414 1
1 402 . 7 1 1 A 73 73 PRO HA H 73 4.419 4.326 0.093 1
1 409 . 7 1 1 A 74 74 THR H H 74 8.511 8.123 0.388 1
1 410 . 7 1 1 A 74 74 THR HA H 74 5.336 4.629 0.707 1
1 415 . 7 1 1 A 75 75 CYS H H 75 8.998 9.077 -0.079 1
1 416 . 7 1 1 A 75 75 CYS HA H 75 5.967 4.098 1.869 1
1 419 . 7 1 1 A 76 76 ASP H H 76 8.504 8.349 0.155 1
1 420 . 7 1 1 A 76 76 ASP HA H 76 4.565 4.785 -0.220 1
1 422 . 7 1 1 A 77 77 THR H H 77 7.809 7.505 0.304 1
1 423 . 7 1 1 A 77 77 THR HA H 77 3.983 3.885 0.098 1
1 428 . 7 1 1 A 78 78 CYS H H 78 6.634 8.470 -1.836 1
1 429 . 7 1 1 A 78 78 CYS HA H 78 4.427 4.450 -0.023 1
1 432 . 7 1 1 A 79 79 HIS H H 79 7.043 8.254 -1.211 1
1 433 . 7 1 1 A 79 79 HIS HA H 79 3.437 4.720 -1.283 1
1 439 . 7 1 1 A 80 80 ASP H H 80 7.826 9.055 -1.229 1
1 440 . 7 1 1 A 80 80 ASP HA H 80 4.464 4.851 -0.387 1
1 443 . 7 1 1 A 81 81 ASP H H 81 7.139 8.138 -0.999 1
1 444 . 7 1 1 A 81 81 ASP HA H 81 4.321 4.684 -0.363 1
1 447 . 7 1 1 A 82 82 GLY H H 82 8.545 8.207 0.338 1
1 448 . 7 1 1 A 82 82 GLY HA2 H 82 3.871 3.962 -0.091 1
1 449 . 7 1 1 A 82 82 GLY HA3 H 82 3.534 3.966 -0.432 1
1 450 . 7 1 1 A 83 83 ARG H H 83 6.845 7.998 -1.153 1
1 451 . 7 1 1 A 83 83 ARG HA H 83 4.250 4.248 0.002 1
1 459 . 7 1 1 A 84 84 THR H H 84 8.063 8.582 -0.519 1
1 460 . 7 1 1 A 84 84 THR HA H 84 5.059 5.062 -0.003 1
1 465 . 7 1 1 A 85 85 ALA H H 85 8.904 8.637 0.267 1
1 466 . 7 1 1 A 85 85 ALA HA H 85 4.736 4.441 0.295 1
1 1 . 8 1 1 A 2 2 ASP HA H 2 4.450 5.223 -0.773 1
1 2 . 8 1 1 A 3 3 GLU H H 3 8.214 9.129 -0.915 1
1 3 . 8 1 1 A 3 3 GLU HA H 3 4.213 5.043 -0.830 1
1 8 . 8 1 1 A 4 4 THR H H 4 8.208 8.863 -0.655 1
1 9 . 8 1 1 A 4 4 THR HA H 4 4.367 4.745 -0.378 1
1 14 . 8 1 1 A 5 5 LEU H H 5 8.068 8.821 -0.753 1
1 15 . 8 1 1 A 5 5 LEU HA H 5 3.094 4.201 -1.107 1
1 25 . 8 1 1 A 6 6 ALA H H 6 7.938 8.238 -0.300 1
1 26 . 8 1 1 A 6 6 ALA HA H 6 2.662 3.945 -1.283 1
1 30 . 8 1 1 A 7 7 GLU H H 7 6.938 7.872 -0.934 1
1 31 . 8 1 1 A 7 7 GLU HA H 7 3.273 4.108 -0.835 1
1 36 . 8 1 1 A 8 8 PHE H H 8 7.568 8.273 -0.705 1
1 37 . 8 1 1 A 8 8 PHE HA H 8 3.752 4.141 -0.389 1
1 45 . 8 1 1 A 9 9 HIS H H 9 6.505 8.073 -1.568 1
1 46 . 8 1 1 A 9 9 HIS HA H 9 2.781 4.212 -1.431 1
1 52 . 8 1 1 A 10 10 VAL H H 10 8.569 8.336 0.233 1
1 53 . 8 1 1 A 10 10 VAL HA H 10 3.499 3.458 0.041 1
1 61 . 8 1 1 A 11 11 GLU H H 11 7.185 8.520 -1.335 1
1 62 . 8 1 1 A 11 11 GLU HA H 11 3.843 4.033 -0.190 1
1 67 . 8 1 1 A 12 12 MET H H 12 6.578 7.674 -1.096 1
1 68 . 8 1 1 A 12 12 MET HA H 12 4.240 4.447 -0.207 1
1 75 . 8 1 1 A 13 13 GLY H H 13 7.583 8.517 -0.934 1
1 76 . 8 1 1 A 13 13 GLY HA2 H 13 4.459 4.125 0.334 1
1 77 . 8 1 1 A 13 13 GLY HA3 H 13 3.916 4.130 -0.214 1
1 78 . 8 1 1 A 14 14 GLY H H 14 8.818 7.479 1.339 1
1 79 . 8 1 1 A 14 14 GLY HA2 H 14 4.646 4.127 0.519 1
1 80 . 8 1 1 A 14 14 GLY HA3 H 14 4.203 4.127 0.076 1
1 81 . 8 1 1 A 15 15 CYS H H 15 9.211 8.761 0.450 1
1 82 . 8 1 1 A 15 15 CYS HA H 15 5.103 4.449 0.654 1
1 85 . 8 1 1 A 16 16 GLU H H 16 9.687 8.027 1.660 1
1 86 . 8 1 1 A 16 16 GLU HA H 16 4.684 4.773 -0.089 1
1 91 . 8 1 1 A 17 17 ASN H H 17 7.564 7.772 -0.208 1
1 92 . 8 1 1 A 17 17 ASN HA H 17 4.312 4.450 -0.138 1
1 96 . 8 1 1 A 18 18 CYS H H 18 6.420 7.779 -1.359 1
1 97 . 8 1 1 A 18 18 CYS HA H 18 4.663 4.500 0.163 1
1 100 . 8 1 1 A 19 19 HIS H H 19 6.637 7.507 -0.870 1
1 101 . 8 1 1 A 19 19 HIS HA H 19 3.768 5.291 -1.523 1
1 107 . 8 1 1 A 20 20 ALA H H 20 7.669 8.633 -0.964 1
1 108 . 8 1 1 A 20 20 ALA HA H 20 3.596 4.487 -0.891 1
1 112 . 8 1 1 A 21 21 ASP H H 21 9.152 9.425 -0.273 1
1 113 . 8 1 1 A 21 21 ASP HA H 21 4.059 4.305 -0.246 1
1 116 . 8 1 1 A 22 22 GLY H H 22 7.497 8.747 -1.250 1
1 117 . 8 1 1 A 22 22 GLY HA2 H 22 3.774 3.924 -0.150 1
1 118 . 8 1 1 A 22 22 GLY HA3 H 22 2.380 3.946 -1.566 1
1 119 . 8 1 1 A 23 23 GLU H H 23 6.896 7.772 -0.876 1
1 120 . 8 1 1 A 23 23 GLU HA H 23 4.029 4.754 -0.725 1
1 125 . 8 1 1 A 24 24 PRO HA H 24 2.264 4.532 -2.268 1
1 132 . 8 1 1 A 25 25 SER H H 25 8.295 8.589 -0.294 1
1 133 . 8 1 1 A 25 25 SER HA H 25 4.243 4.630 -0.387 1
1 135 . 8 1 1 A 26 26 LYS H H 26 8.813 8.600 0.213 1
1 136 . 8 1 1 A 26 26 LYS HA H 26 4.369 4.689 -0.320 1
1 141 . 8 1 1 A 27 27 ASP H H 27 7.852 8.177 -0.325 1
1 142 . 8 1 1 A 27 27 ASP HA H 27 4.833 4.811 0.022 1
1 145 . 8 1 1 A 28 28 GLY H H 28 8.560 7.919 0.641 1
1 146 . 8 1 1 A 28 28 GLY HA2 H 28 4.397 3.992 0.405 1
1 147 . 8 1 1 A 28 28 GLY HA3 H 28 4.177 4.016 0.161 1
1 148 . 8 1 1 A 29 29 ALA H H 29 8.375 8.303 0.072 1
1 149 . 8 1 1 A 29 29 ALA HA H 29 4.391 4.185 0.206 1
1 153 . 8 1 1 A 30 30 TYR H H 30 8.661 8.607 0.054 1
1 154 . 8 1 1 A 30 30 TYR HA H 30 4.014 4.017 -0.003 1
1 160 . 8 1 1 A 31 31 GLU H H 31 9.525 7.994 1.531 1
1 161 . 8 1 1 A 31 31 GLU HA H 31 4.238 3.871 0.367 1
1 164 . 8 1 1 A 32 32 PHE H H 32 8.247 8.516 -0.269 1
1 165 . 8 1 1 A 32 32 PHE HA H 32 5.401 4.000 1.401 1
1 172 . 8 1 1 A 33 33 GLU H H 33 8.353 8.153 0.200 1
1 173 . 8 1 1 A 33 33 GLU HA H 33 3.763 3.582 0.181 1
1 178 . 8 1 1 A 34 34 GLN H H 34 8.408 8.335 0.073 1
1 179 . 8 1 1 A 34 34 GLN HA H 34 4.288 3.937 0.351 1
1 186 . 8 1 1 A 35 35 CYS H H 35 10.043 7.237 2.806 1
1 187 . 8 1 1 A 35 35 CYS HA H 35 5.048 4.681 0.367 1
1 190 . 8 1 1 A 36 36 GLN H H 36 7.667 7.636 0.031 1
1 191 . 8 1 1 A 36 36 GLN HA H 36 4.122 4.610 -0.488 1
1 197 . 8 1 1 A 37 37 SER H H 37 8.069 8.307 -0.238 1
1 198 . 8 1 1 A 37 37 SER HA H 37 4.104 4.721 -0.617 1
1 200 . 8 1 1 A 38 38 CYS H H 38 6.534 8.611 -2.077 1
1 201 . 8 1 1 A 38 38 CYS HA H 38 4.458 4.165 0.293 1
1 204 . 8 1 1 A 39 39 HIS H H 39 7.195 7.956 -0.761 1
1 205 . 8 1 1 A 39 39 HIS HA H 39 3.167 4.705 -1.538 1
1 211 . 8 1 1 A 40 40 GLY H H 40 7.528 7.595 -0.067 1
1 212 . 8 1 1 A 40 40 GLY HA2 H 40 3.838 4.034 -0.196 1
1 213 . 8 1 1 A 40 40 GLY HA3 H 40 3.336 4.046 -0.710 1
1 214 . 8 1 1 A 41 41 SER H H 41 7.364 8.425 -1.061 1
1 215 . 8 1 1 A 41 41 SER HA H 41 4.332 5.086 -0.754 1
1 218 . 8 1 1 A 42 42 LEU H H 42 8.713 9.116 -0.403 1
1 219 . 8 1 1 A 42 42 LEU HA H 42 3.145 4.152 -1.007 1
1 229 . 8 1 1 A 43 43 ALA H H 43 7.277 7.774 -0.497 1
1 230 . 8 1 1 A 43 43 ALA HA H 43 3.522 4.242 -0.720 1
1 234 . 8 1 1 A 44 44 GLU H H 44 6.953 8.663 -1.710 1
1 235 . 8 1 1 A 44 44 GLU HA H 44 4.001 4.551 -0.550 1
1 239 . 8 1 1 A 45 45 MET H H 45 6.301 7.785 -1.484 1
1 240 . 8 1 1 A 45 45 MET HA H 45 3.491 4.794 -1.303 1
1 248 . 8 1 1 A 46 46 ASP H H 46 6.781 8.723 -1.942 1
1 249 . 8 1 1 A 46 46 ASP HA H 46 3.893 4.627 -0.734 1
1 252 . 8 1 1 A 47 47 ASP H H 47 7.863 8.895 -1.032 1
1 253 . 8 1 1 A 47 47 ASP HA H 47 3.940 4.674 -0.734 1
1 256 . 8 1 1 A 48 48 ASN H H 48 7.316 8.097 -0.781 1
1 257 . 8 1 1 A 48 48 ASN HA H 48 4.186 4.679 -0.493 1
1 262 . 8 1 1 A 49 49 HIS H H 49 6.197 7.522 -1.325 1
1 263 . 8 1 1 A 49 49 HIS HA H 49 1.562 4.624 -3.062 1
1 269 . 8 1 1 A 50 50 LYS H H 50 7.161 8.028 -0.867 1
1 270 . 8 1 1 A 50 50 LYS HA H 50 3.125 4.005 -0.880 1
1 276 . 8 1 1 A 51 51 PRO HA H 51 3.694 4.175 -0.481 1
1 283 . 8 1 1 A 52 52 HIS H H 52 6.170 7.590 -1.420 1
1 284 . 8 1 1 A 52 52 HIS HA H 52 2.763 4.235 -1.472 1
1 290 . 8 1 1 A 53 53 ASP H H 53 6.870 8.569 -1.699 1
1 291 . 8 1 1 A 53 53 ASP HA H 53 4.033 4.267 -0.234 1
1 294 . 8 1 1 A 54 54 GLY H H 54 8.685 8.791 -0.106 1
1 295 . 8 1 1 A 54 54 GLY HA2 H 54 4.253 4.039 0.214 1
1 296 . 8 1 1 A 54 54 GLY HA3 H 54 3.660 4.044 -0.384 1
1 297 . 8 1 1 A 55 55 LEU H H 55 7.965 7.939 0.026 1
1 298 . 8 1 1 A 55 55 LEU HA H 55 4.636 4.519 0.117 1
1 307 . 8 1 1 A 56 56 LEU H H 56 7.090 7.668 -0.578 1
1 308 . 8 1 1 A 56 56 LEU HA H 56 4.894 4.882 0.012 1
1 318 . 8 1 1 A 57 57 MET H H 57 9.052 8.404 0.648 1
1 319 . 8 1 1 A 57 57 MET HA H 57 4.032 4.005 0.027 1
1 323 . 8 1 1 A 58 58 CYS H H 58 7.800 8.817 -1.017 1
1 324 . 8 1 1 A 58 58 CYS HA H 58 5.550 4.118 1.432 1
1 327 . 8 1 1 A 59 59 ALA H H 59 9.149 8.163 0.986 1
1 328 . 8 1 1 A 59 59 ALA HA H 59 4.072 4.058 0.014 1
1 332 . 8 1 1 A 60 60 ASP H H 60 7.878 8.411 -0.533 1
1 333 . 8 1 1 A 60 60 ASP HA H 60 4.543 4.275 0.268 1
1 336 . 8 1 1 A 61 61 CYS H H 61 6.557 9.248 -2.691 1
1 337 . 8 1 1 A 61 61 CYS HA H 61 4.728 4.403 0.325 1
1 340 . 8 1 1 A 62 62 HIS H H 62 7.267 8.352 -1.085 1
1 341 . 8 1 1 A 62 62 HIS HA H 62 3.031 4.702 -1.671 1
1 347 . 8 1 1 A 63 63 ALA H H 63 7.251 7.464 -0.213 1
1 348 . 8 1 1 A 63 63 ALA HA H 63 4.202 4.109 0.093 1
1 352 . 8 1 1 A 64 64 PRO HA H 64 3.270 4.304 -1.034 1
1 359 . 8 1 1 A 65 65 HIS H H 65 7.148 8.214 -1.066 1
1 360 . 8 1 1 A 65 65 HIS HA H 65 2.937 4.721 -1.784 1
1 366 . 8 1 1 A 66 66 GLU H H 66 7.113 8.521 -1.408 1
1 367 . 8 1 1 A 66 66 GLU HA H 66 3.936 4.413 -0.477 1
1 371 . 8 1 1 A 67 67 ALA H H 67 7.983 8.636 -0.653 1
1 372 . 8 1 1 A 67 67 ALA HA H 67 3.852 4.352 -0.500 1
1 376 . 8 1 1 A 68 68 LYS H H 68 7.981 8.319 -0.338 1
1 377 . 8 1 1 A 68 68 LYS HA H 68 4.293 4.816 -0.523 1
1 382 . 8 1 1 A 69 69 VAL H H 69 7.859 8.270 -0.411 1
1 383 . 8 1 1 A 69 69 VAL HA H 69 3.207 3.336 -0.129 1
1 391 . 8 1 1 A 70 70 GLY H H 70 8.901 8.720 0.181 1
1 392 . 8 1 1 A 70 70 GLY HA2 H 70 4.234 3.860 0.374 1
1 393 . 8 1 1 A 70 70 GLY HA3 H 70 3.817 3.860 -0.043 1
1 394 . 8 1 1 A 71 71 GLU H H 71 7.596 7.793 -0.197 1
1 395 . 8 1 1 A 71 71 GLU HA H 71 4.437 4.675 -0.238 1
1 398 . 8 1 1 A 72 72 LYS H H 72 8.483 8.551 -0.068 1
1 399 . 8 1 1 A 72 72 LYS HA H 72 4.571 4.979 -0.408 1
1 402 . 8 1 1 A 73 73 PRO HA H 73 4.419 4.360 0.059 1
1 409 . 8 1 1 A 74 74 THR H H 74 8.511 8.120 0.391 1
1 410 . 8 1 1 A 74 74 THR HA H 74 5.336 4.616 0.720 1
1 415 . 8 1 1 A 75 75 CYS H H 75 8.998 8.981 0.017 1
1 416 . 8 1 1 A 75 75 CYS HA H 75 5.967 4.099 1.868 1
1 419 . 8 1 1 A 76 76 ASP H H 76 8.504 8.524 -0.020 1
1 420 . 8 1 1 A 76 76 ASP HA H 76 4.565 4.834 -0.269 1
1 422 . 8 1 1 A 77 77 THR H H 77 7.809 7.447 0.362 1
1 423 . 8 1 1 A 77 77 THR HA H 77 3.983 3.876 0.107 1
1 428 . 8 1 1 A 78 78 CYS H H 78 6.634 8.485 -1.851 1
1 429 . 8 1 1 A 78 78 CYS HA H 78 4.427 4.447 -0.020 1
1 432 . 8 1 1 A 79 79 HIS H H 79 7.043 8.241 -1.198 1
1 433 . 8 1 1 A 79 79 HIS HA H 79 3.437 4.716 -1.279 1
1 439 . 8 1 1 A 80 80 ASP H H 80 7.826 8.605 -0.779 1
1 440 . 8 1 1 A 80 80 ASP HA H 80 4.464 4.653 -0.189 1
1 443 . 8 1 1 A 81 81 ASP H H 81 7.139 8.154 -1.015 1
1 444 . 8 1 1 A 81 81 ASP HA H 81 4.321 4.699 -0.378 1
1 447 . 8 1 1 A 82 82 GLY H H 82 8.545 8.170 0.375 1
1 448 . 8 1 1 A 82 82 GLY HA2 H 82 3.871 3.969 -0.098 1
1 449 . 8 1 1 A 82 82 GLY HA3 H 82 3.534 3.973 -0.439 1
1 450 . 8 1 1 A 83 83 ARG H H 83 6.845 7.915 -1.070 1
1 451 . 8 1 1 A 83 83 ARG HA H 83 4.250 4.258 -0.008 1
1 459 . 8 1 1 A 84 84 THR H H 84 8.063 8.571 -0.508 1
1 460 . 8 1 1 A 84 84 THR HA H 84 5.059 5.041 0.018 1
1 465 . 8 1 1 A 85 85 ALA H H 85 8.904 8.434 0.470 1
1 466 . 8 1 1 A 85 85 ALA HA H 85 4.736 4.401 0.335 1
1 1 . 9 1 1 A 2 2 ASP HA H 2 4.450 4.999 -0.549 1
1 2 . 9 1 1 A 3 3 GLU H H 3 8.214 8.457 -0.243 1
1 3 . 9 1 1 A 3 3 GLU HA H 3 4.213 4.322 -0.109 1
1 8 . 9 1 1 A 4 4 THR H H 4 8.208 8.488 -0.280 1
1 9 . 9 1 1 A 4 4 THR HA H 4 4.367 4.810 -0.443 1
1 14 . 9 1 1 A 5 5 LEU H H 5 8.068 8.464 -0.396 1
1 15 . 9 1 1 A 5 5 LEU HA H 5 3.094 4.204 -1.110 1
1 25 . 9 1 1 A 6 6 ALA H H 6 7.938 8.491 -0.553 1
1 26 . 9 1 1 A 6 6 ALA HA H 6 2.662 3.955 -1.293 1
1 30 . 9 1 1 A 7 7 GLU H H 7 6.938 7.787 -0.849 1
1 31 . 9 1 1 A 7 7 GLU HA H 7 3.273 4.065 -0.792 1
1 36 . 9 1 1 A 8 8 PHE H H 8 7.568 8.194 -0.626 1
1 37 . 9 1 1 A 8 8 PHE HA H 8 3.752 4.131 -0.379 1
1 45 . 9 1 1 A 9 9 HIS H H 9 6.505 8.061 -1.556 1
1 46 . 9 1 1 A 9 9 HIS HA H 9 2.781 4.182 -1.401 1
1 52 . 9 1 1 A 10 10 VAL H H 10 8.569 8.655 -0.086 1
1 53 . 9 1 1 A 10 10 VAL HA H 10 3.499 3.678 -0.179 1
1 61 . 9 1 1 A 11 11 GLU H H 11 7.185 8.623 -1.438 1
1 62 . 9 1 1 A 11 11 GLU HA H 11 3.843 4.020 -0.177 1
1 67 . 9 1 1 A 12 12 MET H H 12 6.578 7.792 -1.214 1
1 68 . 9 1 1 A 12 12 MET HA H 12 4.240 4.419 -0.179 1
1 75 . 9 1 1 A 13 13 GLY H H 13 7.583 8.514 -0.931 1
1 76 . 9 1 1 A 13 13 GLY HA2 H 13 4.459 4.121 0.338 1
1 77 . 9 1 1 A 13 13 GLY HA3 H 13 3.916 4.124 -0.208 1
1 78 . 9 1 1 A 14 14 GLY H H 14 8.818 7.480 1.338 1
1 79 . 9 1 1 A 14 14 GLY HA2 H 14 4.646 4.127 0.519 1
1 80 . 9 1 1 A 14 14 GLY HA3 H 14 4.203 4.129 0.074 1
1 81 . 9 1 1 A 15 15 CYS H H 15 9.211 8.755 0.456 1
1 82 . 9 1 1 A 15 15 CYS HA H 15 5.103 4.462 0.641 1
1 85 . 9 1 1 A 16 16 GLU H H 16 9.687 8.064 1.623 1
1 86 . 9 1 1 A 16 16 GLU HA H 16 4.684 4.760 -0.076 1
1 91 . 9 1 1 A 17 17 ASN H H 17 7.564 7.834 -0.270 1
1 92 . 9 1 1 A 17 17 ASN HA H 17 4.312 4.531 -0.219 1
1 96 . 9 1 1 A 18 18 CYS H H 18 6.420 7.222 -0.802 1
1 97 . 9 1 1 A 18 18 CYS HA H 18 4.663 4.432 0.231 1
1 100 . 9 1 1 A 19 19 HIS H H 19 6.637 7.498 -0.861 1
1 101 . 9 1 1 A 19 19 HIS HA H 19 3.768 5.242 -1.474 1
1 107 . 9 1 1 A 20 20 ALA H H 20 7.669 8.812 -1.143 1
1 108 . 9 1 1 A 20 20 ALA HA H 20 3.596 4.678 -1.082 1
1 112 . 9 1 1 A 21 21 ASP H H 21 9.152 10.051 -0.899 1
1 113 . 9 1 1 A 21 21 ASP HA H 21 4.059 4.361 -0.302 1
1 116 . 9 1 1 A 22 22 GLY H H 22 7.497 8.746 -1.249 1
1 117 . 9 1 1 A 22 22 GLY HA2 H 22 3.774 3.924 -0.150 1
1 118 . 9 1 1 A 22 22 GLY HA3 H 22 2.380 3.936 -1.556 1
1 119 . 9 1 1 A 23 23 GLU H H 23 6.896 7.675 -0.779 1
1 120 . 9 1 1 A 23 23 GLU HA H 23 4.029 4.772 -0.743 1
1 125 . 9 1 1 A 24 24 PRO HA H 24 2.264 4.492 -2.228 1
1 132 . 9 1 1 A 25 25 SER H H 25 8.295 8.320 -0.025 1
1 133 . 9 1 1 A 25 25 SER HA H 25 4.243 4.616 -0.373 1
1 135 . 9 1 1 A 26 26 LYS H H 26 8.813 8.584 0.229 1
1 136 . 9 1 1 A 26 26 LYS HA H 26 4.369 4.551 -0.182 1
1 141 . 9 1 1 A 27 27 ASP H H 27 7.852 7.803 0.049 1
1 142 . 9 1 1 A 27 27 ASP HA H 27 4.833 4.865 -0.032 1
1 145 . 9 1 1 A 28 28 GLY H H 28 8.560 7.854 0.706 1
1 146 . 9 1 1 A 28 28 GLY HA2 H 28 4.397 3.979 0.418 1
1 147 . 9 1 1 A 28 28 GLY HA3 H 28 4.177 4.012 0.165 1
1 148 . 9 1 1 A 29 29 ALA H H 29 8.375 8.292 0.083 1
1 149 . 9 1 1 A 29 29 ALA HA H 29 4.391 4.175 0.216 1
1 153 . 9 1 1 A 30 30 TYR H H 30 8.661 8.875 -0.214 1
1 154 . 9 1 1 A 30 30 TYR HA H 30 4.014 4.083 -0.069 1
1 160 . 9 1 1 A 31 31 GLU H H 31 9.525 8.263 1.262 1
1 161 . 9 1 1 A 31 31 GLU HA H 31 4.238 3.837 0.401 1
1 164 . 9 1 1 A 32 32 PHE H H 32 8.247 8.392 -0.145 1
1 165 . 9 1 1 A 32 32 PHE HA H 32 5.401 3.998 1.403 1
1 172 . 9 1 1 A 33 33 GLU H H 33 8.353 7.905 0.448 1
1 173 . 9 1 1 A 33 33 GLU HA H 33 3.763 3.708 0.055 1
1 178 . 9 1 1 A 34 34 GLN H H 34 8.408 8.412 -0.004 1
1 179 . 9 1 1 A 34 34 GLN HA H 34 4.288 3.920 0.368 1
1 186 . 9 1 1 A 35 35 CYS H H 35 10.043 7.181 2.862 1
1 187 . 9 1 1 A 35 35 CYS HA H 35 5.048 4.650 0.398 1
1 190 . 9 1 1 A 36 36 GLN H H 36 7.667 7.589 0.078 1
1 191 . 9 1 1 A 36 36 GLN HA H 36 4.122 4.642 -0.520 1
1 197 . 9 1 1 A 37 37 SER H H 37 8.069 8.190 -0.121 1
1 198 . 9 1 1 A 37 37 SER HA H 37 4.104 4.671 -0.567 1
1 200 . 9 1 1 A 38 38 CYS H H 38 6.534 8.541 -2.007 1
1 201 . 9 1 1 A 38 38 CYS HA H 38 4.458 4.166 0.292 1
1 204 . 9 1 1 A 39 39 HIS H H 39 7.195 7.937 -0.742 1
1 205 . 9 1 1 A 39 39 HIS HA H 39 3.167 4.693 -1.526 1
1 211 . 9 1 1 A 40 40 GLY H H 40 7.528 7.570 -0.042 1
1 212 . 9 1 1 A 40 40 GLY HA2 H 40 3.838 4.058 -0.220 1
1 213 . 9 1 1 A 40 40 GLY HA3 H 40 3.336 4.074 -0.738 1
1 214 . 9 1 1 A 41 41 SER H H 41 7.364 8.360 -0.996 1
1 215 . 9 1 1 A 41 41 SER HA H 41 4.332 5.167 -0.835 1
1 218 . 9 1 1 A 42 42 LEU H H 42 8.713 9.083 -0.370 1
1 219 . 9 1 1 A 42 42 LEU HA H 42 3.145 4.178 -1.033 1
1 229 . 9 1 1 A 43 43 ALA H H 43 7.277 7.931 -0.654 1
1 230 . 9 1 1 A 43 43 ALA HA H 43 3.522 4.249 -0.727 1
1 234 . 9 1 1 A 44 44 GLU H H 44 6.953 8.488 -1.535 1
1 235 . 9 1 1 A 44 44 GLU HA H 44 4.001 4.585 -0.584 1
1 239 . 9 1 1 A 45 45 MET H H 45 6.301 7.668 -1.367 1
1 240 . 9 1 1 A 45 45 MET HA H 45 3.491 4.799 -1.308 1
1 248 . 9 1 1 A 46 46 ASP H H 46 6.781 8.567 -1.786 1
1 249 . 9 1 1 A 46 46 ASP HA H 46 3.893 4.765 -0.872 1
1 252 . 9 1 1 A 47 47 ASP H H 47 7.863 8.727 -0.864 1
1 253 . 9 1 1 A 47 47 ASP HA H 47 3.940 4.501 -0.561 1
1 256 . 9 1 1 A 48 48 ASN H H 48 7.316 8.116 -0.800 1
1 257 . 9 1 1 A 48 48 ASN HA H 48 4.186 4.768 -0.582 1
1 262 . 9 1 1 A 49 49 HIS H H 49 6.197 7.727 -1.530 1
1 263 . 9 1 1 A 49 49 HIS HA H 49 1.562 4.665 -3.103 1
1 269 . 9 1 1 A 50 50 LYS H H 50 7.161 7.989 -0.828 1
1 270 . 9 1 1 A 50 50 LYS HA H 50 3.125 4.071 -0.946 1
1 276 . 9 1 1 A 51 51 PRO HA H 51 3.694 4.185 -0.491 1
1 283 . 9 1 1 A 52 52 HIS H H 52 6.170 7.367 -1.197 1
1 284 . 9 1 1 A 52 52 HIS HA H 52 2.763 4.244 -1.481 1
1 290 . 9 1 1 A 53 53 ASP H H 53 6.870 8.687 -1.817 1
1 291 . 9 1 1 A 53 53 ASP HA H 53 4.033 4.285 -0.252 1
1 294 . 9 1 1 A 54 54 GLY H H 54 8.685 8.826 -0.141 1
1 295 . 9 1 1 A 54 54 GLY HA2 H 54 4.253 4.019 0.234 1
1 296 . 9 1 1 A 54 54 GLY HA3 H 54 3.660 4.031 -0.371 1
1 297 . 9 1 1 A 55 55 LEU H H 55 7.965 7.966 -0.001 1
1 298 . 9 1 1 A 55 55 LEU HA H 55 4.636 4.535 0.101 1
1 307 . 9 1 1 A 56 56 LEU H H 56 7.090 7.762 -0.672 1
1 308 . 9 1 1 A 56 56 LEU HA H 56 4.894 4.862 0.032 1
1 318 . 9 1 1 A 57 57 MET H H 57 9.052 9.381 -0.329 1
1 319 . 9 1 1 A 57 57 MET HA H 57 4.032 4.085 -0.053 1
1 323 . 9 1 1 A 58 58 CYS H H 58 7.800 8.921 -1.121 1
1 324 . 9 1 1 A 58 58 CYS HA H 58 5.550 4.225 1.325 1
1 327 . 9 1 1 A 59 59 ALA H H 59 9.149 8.181 0.968 1
1 328 . 9 1 1 A 59 59 ALA HA H 59 4.072 4.095 -0.023 1
1 332 . 9 1 1 A 60 60 ASP H H 60 7.878 8.226 -0.348 1
1 333 . 9 1 1 A 60 60 ASP HA H 60 4.543 4.289 0.254 1
1 336 . 9 1 1 A 61 61 CYS H H 61 6.557 8.934 -2.377 1
1 337 . 9 1 1 A 61 61 CYS HA H 61 4.728 4.413 0.315 1
1 340 . 9 1 1 A 62 62 HIS H H 62 7.267 8.647 -1.380 1
1 341 . 9 1 1 A 62 62 HIS HA H 62 3.031 4.716 -1.685 1
1 347 . 9 1 1 A 63 63 ALA H H 63 7.251 7.404 -0.153 1
1 348 . 9 1 1 A 63 63 ALA HA H 63 4.202 4.094 0.108 1
1 352 . 9 1 1 A 64 64 PRO HA H 64 3.270 4.323 -1.053 1
1 359 . 9 1 1 A 65 65 HIS H H 65 7.148 8.293 -1.145 1
1 360 . 9 1 1 A 65 65 HIS HA H 65 2.937 4.702 -1.765 1
1 366 . 9 1 1 A 66 66 GLU H H 66 7.113 8.565 -1.452 1
1 367 . 9 1 1 A 66 66 GLU HA H 66 3.936 4.410 -0.474 1
1 371 . 9 1 1 A 67 67 ALA H H 67 7.983 8.824 -0.841 1
1 372 . 9 1 1 A 67 67 ALA HA H 67 3.852 4.367 -0.515 1
1 376 . 9 1 1 A 68 68 LYS H H 68 7.981 9.002 -1.021 1
1 377 . 9 1 1 A 68 68 LYS HA H 68 4.293 4.936 -0.643 1
1 382 . 9 1 1 A 69 69 VAL H H 69 7.859 8.253 -0.394 1
1 383 . 9 1 1 A 69 69 VAL HA H 69 3.207 3.332 -0.125 1
1 391 . 9 1 1 A 70 70 GLY H H 70 8.901 8.708 0.193 1
1 392 . 9 1 1 A 70 70 GLY HA2 H 70 4.234 3.823 0.411 1
1 393 . 9 1 1 A 70 70 GLY HA3 H 70 3.817 3.824 -0.007 1
1 394 . 9 1 1 A 71 71 GLU H H 71 7.596 7.923 -0.327 1
1 395 . 9 1 1 A 71 71 GLU HA H 71 4.437 4.706 -0.269 1
1 398 . 9 1 1 A 72 72 LYS H H 72 8.483 8.536 -0.053 1
1 399 . 9 1 1 A 72 72 LYS HA H 72 4.571 4.970 -0.399 1
1 402 . 9 1 1 A 73 73 PRO HA H 73 4.419 4.401 0.018 1
1 409 . 9 1 1 A 74 74 THR H H 74 8.511 8.179 0.332 1
1 410 . 9 1 1 A 74 74 THR HA H 74 5.336 4.805 0.531 1
1 415 . 9 1 1 A 75 75 CYS H H 75 8.998 9.159 -0.161 1
1 416 . 9 1 1 A 75 75 CYS HA H 75 5.967 4.089 1.878 1
1 419 . 9 1 1 A 76 76 ASP H H 76 8.504 8.183 0.321 1
1 420 . 9 1 1 A 76 76 ASP HA H 76 4.565 4.756 -0.191 1
1 422 . 9 1 1 A 77 77 THR H H 77 7.809 7.536 0.273 1
1 423 . 9 1 1 A 77 77 THR HA H 77 3.983 3.886 0.097 1
1 428 . 9 1 1 A 78 78 CYS H H 78 6.634 8.408 -1.774 1
1 429 . 9 1 1 A 78 78 CYS HA H 78 4.427 4.429 -0.002 1
1 432 . 9 1 1 A 79 79 HIS H H 79 7.043 8.336 -1.293 1
1 433 . 9 1 1 A 79 79 HIS HA H 79 3.437 4.760 -1.323 1
1 439 . 9 1 1 A 80 80 ASP H H 80 7.826 8.732 -0.906 1
1 440 . 9 1 1 A 80 80 ASP HA H 80 4.464 4.763 -0.299 1
1 443 . 9 1 1 A 81 81 ASP H H 81 7.139 8.188 -1.049 1
1 444 . 9 1 1 A 81 81 ASP HA H 81 4.321 4.717 -0.396 1
1 447 . 9 1 1 A 82 82 GLY H H 82 8.545 8.181 0.364 1
1 448 . 9 1 1 A 82 82 GLY HA2 H 82 3.871 3.963 -0.092 1
1 449 . 9 1 1 A 82 82 GLY HA3 H 82 3.534 3.968 -0.434 1
1 450 . 9 1 1 A 83 83 ARG H H 83 6.845 8.128 -1.283 1
1 451 . 9 1 1 A 83 83 ARG HA H 83 4.250 4.250 0.000 1
1 459 . 9 1 1 A 84 84 THR H H 84 8.063 8.583 -0.520 1
1 460 . 9 1 1 A 84 84 THR HA H 84 5.059 5.061 -0.002 1
1 465 . 9 1 1 A 85 85 ALA H H 85 8.904 8.541 0.363 1
1 466 . 9 1 1 A 85 85 ALA HA H 85 4.736 4.460 0.276 1
1 1 . 10 1 1 A 2 2 ASP HA H 2 4.450 5.072 -0.622 1
1 2 . 10 1 1 A 3 3 GLU H H 3 8.214 8.659 -0.445 1
1 3 . 10 1 1 A 3 3 GLU HA H 3 4.213 4.766 -0.553 1
1 8 . 10 1 1 A 4 4 THR H H 4 8.208 8.185 0.023 1
1 9 . 10 1 1 A 4 4 THR HA H 4 4.367 4.670 -0.303 1
1 14 . 10 1 1 A 5 5 LEU H H 5 8.068 8.416 -0.348 1
1 15 . 10 1 1 A 5 5 LEU HA H 5 3.094 4.193 -1.099 1
1 25 . 10 1 1 A 6 6 ALA H H 6 7.938 8.465 -0.527 1
1 26 . 10 1 1 A 6 6 ALA HA H 6 2.662 4.048 -1.386 1
1 30 . 10 1 1 A 7 7 GLU H H 7 6.938 7.734 -0.796 1
1 31 . 10 1 1 A 7 7 GLU HA H 7 3.273 4.080 -0.807 1
1 36 . 10 1 1 A 8 8 PHE H H 8 7.568 8.502 -0.934 1
1 37 . 10 1 1 A 8 8 PHE HA H 8 3.752 4.163 -0.411 1
1 45 . 10 1 1 A 9 9 HIS H H 9 6.505 8.093 -1.588 1
1 46 . 10 1 1 A 9 9 HIS HA H 9 2.781 4.192 -1.411 1
1 52 . 10 1 1 A 10 10 VAL H H 10 8.569 8.631 -0.062 1
1 53 . 10 1 1 A 10 10 VAL HA H 10 3.499 3.459 0.040 1
1 61 . 10 1 1 A 11 11 GLU H H 11 7.185 8.559 -1.374 1
1 62 . 10 1 1 A 11 11 GLU HA H 11 3.843 4.018 -0.175 1
1 67 . 10 1 1 A 12 12 MET H H 12 6.578 7.763 -1.185 1
1 68 . 10 1 1 A 12 12 MET HA H 12 4.240 4.436 -0.196 1
1 75 . 10 1 1 A 13 13 GLY H H 13 7.583 8.503 -0.920 1
1 76 . 10 1 1 A 13 13 GLY HA2 H 13 4.459 4.129 0.330 1
1 77 . 10 1 1 A 13 13 GLY HA3 H 13 3.916 4.134 -0.218 1
1 78 . 10 1 1 A 14 14 GLY H H 14 8.818 7.481 1.337 1
1 79 . 10 1 1 A 14 14 GLY HA2 H 14 4.646 4.129 0.517 1
1 80 . 10 1 1 A 14 14 GLY HA3 H 14 4.203 4.130 0.073 1
1 81 . 10 1 1 A 15 15 CYS H H 15 9.211 8.766 0.445 1
1 82 . 10 1 1 A 15 15 CYS HA H 15 5.103 4.452 0.651 1
1 85 . 10 1 1 A 16 16 GLU H H 16 9.687 8.152 1.535 1
1 86 . 10 1 1 A 16 16 GLU HA H 16 4.684 4.774 -0.090 1
1 91 . 10 1 1 A 17 17 ASN H H 17 7.564 7.861 -0.297 1
1 92 . 10 1 1 A 17 17 ASN HA H 17 4.312 4.461 -0.149 1
1 96 . 10 1 1 A 18 18 CYS H H 18 6.420 7.249 -0.829 1
1 97 . 10 1 1 A 18 18 CYS HA H 18 4.663 4.445 0.218 1
1 100 . 10 1 1 A 19 19 HIS H H 19 6.637 7.547 -0.910 1
1 101 . 10 1 1 A 19 19 HIS HA H 19 3.768 5.280 -1.512 1
1 107 . 10 1 1 A 20 20 ALA H H 20 7.669 8.838 -1.169 1
1 108 . 10 1 1 A 20 20 ALA HA H 20 3.596 4.711 -1.115 1
1 112 . 10 1 1 A 21 21 ASP H H 21 9.152 9.538 -0.386 1
1 113 . 10 1 1 A 21 21 ASP HA H 21 4.059 4.305 -0.246 1
1 116 . 10 1 1 A 22 22 GLY H H 22 7.497 8.751 -1.254 1
1 117 . 10 1 1 A 22 22 GLY HA2 H 22 3.774 3.930 -0.156 1
1 118 . 10 1 1 A 22 22 GLY HA3 H 22 2.380 3.948 -1.568 1
1 119 . 10 1 1 A 23 23 GLU H H 23 6.896 7.637 -0.741 1
1 120 . 10 1 1 A 23 23 GLU HA H 23 4.029 4.694 -0.665 1
1 125 . 10 1 1 A 24 24 PRO HA H 24 2.264 4.506 -2.242 1
1 132 . 10 1 1 A 25 25 SER H H 25 8.295 8.539 -0.244 1
1 133 . 10 1 1 A 25 25 SER HA H 25 4.243 4.566 -0.323 1
1 135 . 10 1 1 A 26 26 LYS H H 26 8.813 8.594 0.219 1
1 136 . 10 1 1 A 26 26 LYS HA H 26 4.369 4.570 -0.201 1
1 141 . 10 1 1 A 27 27 ASP H H 27 7.852 7.869 -0.017 1
1 142 . 10 1 1 A 27 27 ASP HA H 27 4.833 4.819 0.014 1
1 145 . 10 1 1 A 28 28 GLY H H 28 8.560 7.880 0.680 1
1 146 . 10 1 1 A 28 28 GLY HA2 H 28 4.397 3.982 0.415 1
1 147 . 10 1 1 A 28 28 GLY HA3 H 28 4.177 4.014 0.163 1
1 148 . 10 1 1 A 29 29 ALA H H 29 8.375 8.293 0.082 1
1 149 . 10 1 1 A 29 29 ALA HA H 29 4.391 4.166 0.225 1
1 153 . 10 1 1 A 30 30 TYR H H 30 8.661 8.633 0.028 1
1 154 . 10 1 1 A 30 30 TYR HA H 30 4.014 4.040 -0.026 1
1 160 . 10 1 1 A 31 31 GLU H H 31 9.525 8.175 1.350 1
1 161 . 10 1 1 A 31 31 GLU HA H 31 4.238 3.824 0.414 1
1 164 . 10 1 1 A 32 32 PHE H H 32 8.247 8.623 -0.376 1
1 165 . 10 1 1 A 32 32 PHE HA H 32 5.401 3.991 1.410 1
1 172 . 10 1 1 A 33 33 GLU H H 33 8.353 8.113 0.240 1
1 173 . 10 1 1 A 33 33 GLU HA H 33 3.763 3.540 0.223 1
1 178 . 10 1 1 A 34 34 GLN H H 34 8.408 8.369 0.039 1
1 179 . 10 1 1 A 34 34 GLN HA H 34 4.288 3.901 0.387 1
1 186 . 10 1 1 A 35 35 CYS H H 35 10.043 7.119 2.924 1
1 187 . 10 1 1 A 35 35 CYS HA H 35 5.048 4.640 0.408 1
1 190 . 10 1 1 A 36 36 GLN H H 36 7.667 7.558 0.109 1
1 191 . 10 1 1 A 36 36 GLN HA H 36 4.122 4.569 -0.447 1
1 197 . 10 1 1 A 37 37 SER H H 37 8.069 8.327 -0.258 1
1 198 . 10 1 1 A 37 37 SER HA H 37 4.104 4.704 -0.600 1
1 200 . 10 1 1 A 38 38 CYS H H 38 6.534 8.567 -2.033 1
1 201 . 10 1 1 A 38 38 CYS HA H 38 4.458 4.142 0.316 1
1 204 . 10 1 1 A 39 39 HIS H H 39 7.195 7.932 -0.737 1
1 205 . 10 1 1 A 39 39 HIS HA H 39 3.167 4.707 -1.540 1
1 211 . 10 1 1 A 40 40 GLY H H 40 7.528 7.557 -0.029 1
1 212 . 10 1 1 A 40 40 GLY HA2 H 40 3.838 4.028 -0.190 1
1 213 . 10 1 1 A 40 40 GLY HA3 H 40 3.336 4.044 -0.708 1
1 214 . 10 1 1 A 41 41 SER H H 41 7.364 8.371 -1.007 1
1 215 . 10 1 1 A 41 41 SER HA H 41 4.332 5.198 -0.866 1
1 218 . 10 1 1 A 42 42 LEU H H 42 8.713 9.107 -0.394 1
1 219 . 10 1 1 A 42 42 LEU HA H 42 3.145 4.138 -0.993 1
1 229 . 10 1 1 A 43 43 ALA H H 43 7.277 7.893 -0.616 1
1 230 . 10 1 1 A 43 43 ALA HA H 43 3.522 4.247 -0.725 1
1 234 . 10 1 1 A 44 44 GLU H H 44 6.953 8.612 -1.659 1
1 235 . 10 1 1 A 44 44 GLU HA H 44 4.001 4.609 -0.608 1
1 239 . 10 1 1 A 45 45 MET H H 45 6.301 7.699 -1.398 1
1 240 . 10 1 1 A 45 45 MET HA H 45 3.491 4.788 -1.297 1
1 248 . 10 1 1 A 46 46 ASP H H 46 6.781 8.621 -1.840 1
1 249 . 10 1 1 A 46 46 ASP HA H 46 3.893 4.765 -0.872 1
1 252 . 10 1 1 A 47 47 ASP H H 47 7.863 8.722 -0.859 1
1 253 . 10 1 1 A 47 47 ASP HA H 47 3.940 4.499 -0.559 1
1 256 . 10 1 1 A 48 48 ASN H H 48 7.316 8.070 -0.754 1
1 257 . 10 1 1 A 48 48 ASN HA H 48 4.186 4.762 -0.576 1
1 262 . 10 1 1 A 49 49 HIS H H 49 6.197 7.665 -1.468 1
1 263 . 10 1 1 A 49 49 HIS HA H 49 1.562 4.672 -3.110 1
1 269 . 10 1 1 A 50 50 LYS H H 50 7.161 8.014 -0.853 1
1 270 . 10 1 1 A 50 50 LYS HA H 50 3.125 3.947 -0.822 1
1 276 . 10 1 1 A 51 51 PRO HA H 51 3.694 4.180 -0.486 1
1 283 . 10 1 1 A 52 52 HIS H H 52 6.170 7.425 -1.255 1
1 284 . 10 1 1 A 52 52 HIS HA H 52 2.763 4.247 -1.484 1
1 290 . 10 1 1 A 53 53 ASP H H 53 6.870 8.658 -1.788 1
1 291 . 10 1 1 A 53 53 ASP HA H 53 4.033 4.293 -0.260 1
1 294 . 10 1 1 A 54 54 GLY H H 54 8.685 8.786 -0.101 1
1 295 . 10 1 1 A 54 54 GLY HA2 H 54 4.253 3.984 0.269 1
1 296 . 10 1 1 A 54 54 GLY HA3 H 54 3.660 4.016 -0.356 1
1 297 . 10 1 1 A 55 55 LEU H H 55 7.965 7.895 0.070 1
1 298 . 10 1 1 A 55 55 LEU HA H 55 4.636 4.529 0.107 1
1 307 . 10 1 1 A 56 56 LEU H H 56 7.090 7.754 -0.664 1
1 308 . 10 1 1 A 56 56 LEU HA H 56 4.894 4.898 -0.004 1
1 318 . 10 1 1 A 57 57 MET H H 57 9.052 9.410 -0.358 1
1 319 . 10 1 1 A 57 57 MET HA H 57 4.032 4.268 -0.236 1
1 323 . 10 1 1 A 58 58 CYS H H 58 7.800 8.936 -1.136 1
1 324 . 10 1 1 A 58 58 CYS HA H 58 5.550 4.211 1.339 1
1 327 . 10 1 1 A 59 59 ALA H H 59 9.149 8.178 0.971 1
1 328 . 10 1 1 A 59 59 ALA HA H 59 4.072 4.072 0.000 1
1 332 . 10 1 1 A 60 60 ASP H H 60 7.878 8.235 -0.357 1
1 333 . 10 1 1 A 60 60 ASP HA H 60 4.543 4.290 0.253 1
1 336 . 10 1 1 A 61 61 CYS H H 61 6.557 9.064 -2.507 1
1 337 . 10 1 1 A 61 61 CYS HA H 61 4.728 4.398 0.330 1
1 340 . 10 1 1 A 62 62 HIS H H 62 7.267 8.412 -1.145 1
1 341 . 10 1 1 A 62 62 HIS HA H 62 3.031 4.709 -1.678 1
1 347 . 10 1 1 A 63 63 ALA H H 63 7.251 7.528 -0.277 1
1 348 . 10 1 1 A 63 63 ALA HA H 63 4.202 4.114 0.088 1
1 352 . 10 1 1 A 64 64 PRO HA H 64 3.270 4.309 -1.039 1
1 359 . 10 1 1 A 65 65 HIS H H 65 7.148 8.189 -1.041 1
1 360 . 10 1 1 A 65 65 HIS HA H 65 2.937 4.726 -1.789 1
1 366 . 10 1 1 A 66 66 GLU H H 66 7.113 8.464 -1.351 1
1 367 . 10 1 1 A 66 66 GLU HA H 66 3.936 4.451 -0.515 1
1 371 . 10 1 1 A 67 67 ALA H H 67 7.983 8.784 -0.801 1
1 372 . 10 1 1 A 67 67 ALA HA H 67 3.852 4.352 -0.500 1
1 376 . 10 1 1 A 68 68 LYS H H 68 7.981 8.804 -0.823 1
1 377 . 10 1 1 A 68 68 LYS HA H 68 4.293 4.778 -0.485 1
1 382 . 10 1 1 A 69 69 VAL H H 69 7.859 8.267 -0.408 1
1 383 . 10 1 1 A 69 69 VAL HA H 69 3.207 3.332 -0.125 1
1 391 . 10 1 1 A 70 70 GLY H H 70 8.901 8.710 0.191 1
1 392 . 10 1 1 A 70 70 GLY HA2 H 70 4.234 3.826 0.408 1
1 393 . 10 1 1 A 70 70 GLY HA3 H 70 3.817 3.826 -0.009 1
1 394 . 10 1 1 A 71 71 GLU H H 71 7.596 7.905 -0.309 1
1 395 . 10 1 1 A 71 71 GLU HA H 71 4.437 4.706 -0.269 1
1 398 . 10 1 1 A 72 72 LYS H H 72 8.483 8.635 -0.152 1
1 399 . 10 1 1 A 72 72 LYS HA H 72 4.571 4.869 -0.298 1
1 402 . 10 1 1 A 73 73 PRO HA H 73 4.419 4.445 -0.026 1
1 409 . 10 1 1 A 74 74 THR H H 74 8.511 8.211 0.300 1
1 410 . 10 1 1 A 74 74 THR HA H 74 5.336 4.786 0.550 1
1 415 . 10 1 1 A 75 75 CYS H H 75 8.998 9.228 -0.230 1
1 416 . 10 1 1 A 75 75 CYS HA H 75 5.967 4.101 1.866 1
1 419 . 10 1 1 A 76 76 ASP H H 76 8.504 8.283 0.221 1
1 420 . 10 1 1 A 76 76 ASP HA H 76 4.565 4.765 -0.200 1
1 422 . 10 1 1 A 77 77 THR H H 77 7.809 7.517 0.292 1
1 423 . 10 1 1 A 77 77 THR HA H 77 3.983 3.888 0.095 1
1 428 . 10 1 1 A 78 78 CYS H H 78 6.634 8.462 -1.828 1
1 429 . 10 1 1 A 78 78 CYS HA H 78 4.427 4.452 -0.025 1
1 432 . 10 1 1 A 79 79 HIS H H 79 7.043 8.246 -1.203 1
1 433 . 10 1 1 A 79 79 HIS HA H 79 3.437 4.693 -1.256 1
1 439 . 10 1 1 A 80 80 ASP H H 80 7.826 8.684 -0.858 1
1 440 . 10 1 1 A 80 80 ASP HA H 80 4.464 4.767 -0.303 1
1 443 . 10 1 1 A 81 81 ASP H H 81 7.139 8.092 -0.953 1
1 444 . 10 1 1 A 81 81 ASP HA H 81 4.321 4.681 -0.360 1
1 447 . 10 1 1 A 82 82 GLY H H 82 8.545 8.188 0.357 1
1 448 . 10 1 1 A 82 82 GLY HA2 H 82 3.871 3.969 -0.098 1
1 449 . 10 1 1 A 82 82 GLY HA3 H 82 3.534 3.973 -0.439 1
1 450 . 10 1 1 A 83 83 ARG H H 83 6.845 8.134 -1.289 1
1 451 . 10 1 1 A 83 83 ARG HA H 83 4.250 4.258 -0.008 1
1 459 . 10 1 1 A 84 84 THR H H 84 8.063 8.654 -0.591 1
1 460 . 10 1 1 A 84 84 THR HA H 84 5.059 5.046 0.013 1
1 465 . 10 1 1 A 85 85 ALA H H 85 8.904 8.520 0.384 1
1 466 . 10 1 1 A 85 85 ALA HA H 85 4.736 4.393 0.343 1
1 1 . 11 1 1 A 2 2 ASP HA H 2 4.450 4.315 0.135 1
1 2 . 11 1 1 A 3 3 GLU H H 3 8.214 8.132 0.082 1
1 3 . 11 1 1 A 3 3 GLU HA H 3 4.213 4.618 -0.405 1
1 8 . 11 1 1 A 4 4 THR H H 4 8.208 8.765 -0.557 1
1 9 . 11 1 1 A 4 4 THR HA H 4 4.367 4.963 -0.596 1
1 14 . 11 1 1 A 5 5 LEU H H 5 8.068 8.500 -0.432 1
1 15 . 11 1 1 A 5 5 LEU HA H 5 3.094 4.210 -1.116 1
1 25 . 11 1 1 A 6 6 ALA H H 6 7.938 8.082 -0.144 1
1 26 . 11 1 1 A 6 6 ALA HA H 6 2.662 3.970 -1.308 1
1 30 . 11 1 1 A 7 7 GLU H H 7 6.938 7.788 -0.850 1
1 31 . 11 1 1 A 7 7 GLU HA H 7 3.273 4.049 -0.776 1
1 36 . 11 1 1 A 8 8 PHE H H 8 7.568 8.287 -0.719 1
1 37 . 11 1 1 A 8 8 PHE HA H 8 3.752 4.140 -0.388 1
1 45 . 11 1 1 A 9 9 HIS H H 9 6.505 7.988 -1.483 1
1 46 . 11 1 1 A 9 9 HIS HA H 9 2.781 4.192 -1.411 1
1 52 . 11 1 1 A 10 10 VAL H H 10 8.569 8.666 -0.097 1
1 53 . 11 1 1 A 10 10 VAL HA H 10 3.499 3.606 -0.107 1
1 61 . 11 1 1 A 11 11 GLU H H 11 7.185 8.585 -1.400 1
1 62 . 11 1 1 A 11 11 GLU HA H 11 3.843 4.018 -0.175 1
1 67 . 11 1 1 A 12 12 MET H H 12 6.578 7.884 -1.306 1
1 68 . 11 1 1 A 12 12 MET HA H 12 4.240 4.434 -0.194 1
1 75 . 11 1 1 A 13 13 GLY H H 13 7.583 8.492 -0.909 1
1 76 . 11 1 1 A 13 13 GLY HA2 H 13 4.459 4.129 0.330 1
1 77 . 11 1 1 A 13 13 GLY HA3 H 13 3.916 4.133 -0.217 1
1 78 . 11 1 1 A 14 14 GLY H H 14 8.818 7.471 1.347 1
1 79 . 11 1 1 A 14 14 GLY HA2 H 14 4.646 4.131 0.515 1
1 80 . 11 1 1 A 14 14 GLY HA3 H 14 4.203 4.132 0.071 1
1 81 . 11 1 1 A 15 15 CYS H H 15 9.211 8.747 0.464 1
1 82 . 11 1 1 A 15 15 CYS HA H 15 5.103 4.442 0.661 1
1 85 . 11 1 1 A 16 16 GLU H H 16 9.687 7.981 1.706 1
1 86 . 11 1 1 A 16 16 GLU HA H 16 4.684 4.825 -0.141 1
1 91 . 11 1 1 A 17 17 ASN H H 17 7.564 7.992 -0.428 1
1 92 . 11 1 1 A 17 17 ASN HA H 17 4.312 4.553 -0.241 1
1 96 . 11 1 1 A 18 18 CYS H H 18 6.420 7.702 -1.282 1
1 97 . 11 1 1 A 18 18 CYS HA H 18 4.663 4.422 0.241 1
1 100 . 11 1 1 A 19 19 HIS H H 19 6.637 7.502 -0.865 1
1 101 . 11 1 1 A 19 19 HIS HA H 19 3.768 5.259 -1.491 1
1 107 . 11 1 1 A 20 20 ALA H H 20 7.669 8.587 -0.918 1
1 108 . 11 1 1 A 20 20 ALA HA H 20 3.596 4.544 -0.948 1
1 112 . 11 1 1 A 21 21 ASP H H 21 9.152 9.313 -0.161 1
1 113 . 11 1 1 A 21 21 ASP HA H 21 4.059 4.301 -0.242 1
1 116 . 11 1 1 A 22 22 GLY H H 22 7.497 8.747 -1.250 1
1 117 . 11 1 1 A 22 22 GLY HA2 H 22 3.774 3.929 -0.155 1
1 118 . 11 1 1 A 22 22 GLY HA3 H 22 2.380 3.947 -1.567 1
1 119 . 11 1 1 A 23 23 GLU H H 23 6.896 7.778 -0.882 1
1 120 . 11 1 1 A 23 23 GLU HA H 23 4.029 4.784 -0.755 1
1 125 . 11 1 1 A 24 24 PRO HA H 24 2.264 4.533 -2.269 1
1 132 . 11 1 1 A 25 25 SER H H 25 8.295 8.164 0.131 1
1 133 . 11 1 1 A 25 25 SER HA H 25 4.243 4.686 -0.443 1
1 135 . 11 1 1 A 26 26 LYS H H 26 8.813 8.829 -0.016 1
1 136 . 11 1 1 A 26 26 LYS HA H 26 4.369 4.668 -0.299 1
1 141 . 11 1 1 A 27 27 ASP H H 27 7.852 7.872 -0.020 1
1 142 . 11 1 1 A 27 27 ASP HA H 27 4.833 4.760 0.073 1
1 145 . 11 1 1 A 28 28 GLY H H 28 8.560 7.702 0.858 1
1 146 . 11 1 1 A 28 28 GLY HA2 H 28 4.397 3.982 0.415 1
1 147 . 11 1 1 A 28 28 GLY HA3 H 28 4.177 4.012 0.165 1
1 148 . 11 1 1 A 29 29 ALA H H 29 8.375 8.288 0.087 1
1 149 . 11 1 1 A 29 29 ALA HA H 29 4.391 4.173 0.218 1
1 153 . 11 1 1 A 30 30 TYR H H 30 8.661 8.514 0.147 1
1 154 . 11 1 1 A 30 30 TYR HA H 30 4.014 4.080 -0.066 1
1 160 . 11 1 1 A 31 31 GLU H H 31 9.525 8.160 1.365 1
1 161 . 11 1 1 A 31 31 GLU HA H 31 4.238 3.868 0.370 1
1 164 . 11 1 1 A 32 32 PHE H H 32 8.247 8.545 -0.298 1
1 165 . 11 1 1 A 32 32 PHE HA H 32 5.401 3.998 1.403 1
1 172 . 11 1 1 A 33 33 GLU H H 33 8.353 8.169 0.184 1
1 173 . 11 1 1 A 33 33 GLU HA H 33 3.763 3.688 0.075 1
1 178 . 11 1 1 A 34 34 GLN H H 34 8.408 8.249 0.159 1
1 179 . 11 1 1 A 34 34 GLN HA H 34 4.288 3.911 0.377 1
1 186 . 11 1 1 A 35 35 CYS H H 35 10.043 7.254 2.789 1
1 187 . 11 1 1 A 35 35 CYS HA H 35 5.048 4.669 0.379 1
1 190 . 11 1 1 A 36 36 GLN H H 36 7.667 7.410 0.257 1
1 191 . 11 1 1 A 36 36 GLN HA H 36 4.122 4.635 -0.513 1
1 197 . 11 1 1 A 37 37 SER H H 37 8.069 8.209 -0.140 1
1 198 . 11 1 1 A 37 37 SER HA H 37 4.104 4.667 -0.563 1
1 200 . 11 1 1 A 38 38 CYS H H 38 6.534 8.539 -2.005 1
1 201 . 11 1 1 A 38 38 CYS HA H 38 4.458 4.165 0.293 1
1 204 . 11 1 1 A 39 39 HIS H H 39 7.195 7.952 -0.757 1
1 205 . 11 1 1 A 39 39 HIS HA H 39 3.167 4.703 -1.536 1
1 211 . 11 1 1 A 40 40 GLY H H 40 7.528 7.562 -0.034 1
1 212 . 11 1 1 A 40 40 GLY HA2 H 40 3.838 4.042 -0.204 1
1 213 . 11 1 1 A 40 40 GLY HA3 H 40 3.336 4.059 -0.723 1
1 214 . 11 1 1 A 41 41 SER H H 41 7.364 8.348 -0.984 1
1 215 . 11 1 1 A 41 41 SER HA H 41 4.332 5.256 -0.924 1
1 218 . 11 1 1 A 42 42 LEU H H 42 8.713 9.113 -0.400 1
1 219 . 11 1 1 A 42 42 LEU HA H 42 3.145 4.167 -1.022 1
1 229 . 11 1 1 A 43 43 ALA H H 43 7.277 7.931 -0.654 1
1 230 . 11 1 1 A 43 43 ALA HA H 43 3.522 4.260 -0.738 1
1 234 . 11 1 1 A 44 44 GLU H H 44 6.953 8.792 -1.839 1
1 235 . 11 1 1 A 44 44 GLU HA H 44 4.001 4.550 -0.549 1
1 239 . 11 1 1 A 45 45 MET H H 45 6.301 7.643 -1.342 1
1 240 . 11 1 1 A 45 45 MET HA H 45 3.491 4.798 -1.307 1
1 248 . 11 1 1 A 46 46 ASP H H 46 6.781 8.487 -1.706 1
1 249 . 11 1 1 A 46 46 ASP HA H 46 3.893 4.684 -0.791 1
1 252 . 11 1 1 A 47 47 ASP H H 47 7.863 8.930 -1.067 1
1 253 . 11 1 1 A 47 47 ASP HA H 47 3.940 4.654 -0.714 1
1 256 . 11 1 1 A 48 48 ASN H H 48 7.316 8.079 -0.763 1
1 257 . 11 1 1 A 48 48 ASN HA H 48 4.186 4.768 -0.582 1
1 262 . 11 1 1 A 49 49 HIS H H 49 6.197 7.896 -1.699 1
1 263 . 11 1 1 A 49 49 HIS HA H 49 1.562 4.513 -2.951 1
1 269 . 11 1 1 A 50 50 LYS H H 50 7.161 7.964 -0.803 1
1 270 . 11 1 1 A 50 50 LYS HA H 50 3.125 4.102 -0.977 1
1 276 . 11 1 1 A 51 51 PRO HA H 51 3.694 4.161 -0.467 1
1 283 . 11 1 1 A 52 52 HIS H H 52 6.170 7.642 -1.472 1
1 284 . 11 1 1 A 52 52 HIS HA H 52 2.763 4.242 -1.479 1
1 290 . 11 1 1 A 53 53 ASP H H 53 6.870 8.670 -1.800 1
1 291 . 11 1 1 A 53 53 ASP HA H 53 4.033 4.277 -0.244 1
1 294 . 11 1 1 A 54 54 GLY H H 54 8.685 8.798 -0.113 1
1 295 . 11 1 1 A 54 54 GLY HA2 H 54 4.253 3.990 0.263 1
1 296 . 11 1 1 A 54 54 GLY HA3 H 54 3.660 4.018 -0.358 1
1 297 . 11 1 1 A 55 55 LEU H H 55 7.965 7.892 0.073 1
1 298 . 11 1 1 A 55 55 LEU HA H 55 4.636 4.529 0.107 1
1 307 . 11 1 1 A 56 56 LEU H H 56 7.090 7.784 -0.694 1
1 308 . 11 1 1 A 56 56 LEU HA H 56 4.894 4.928 -0.034 1
1 318 . 11 1 1 A 57 57 MET H H 57 9.052 8.458 0.594 1
1 319 . 11 1 1 A 57 57 MET HA H 57 4.032 4.277 -0.245 1
1 323 . 11 1 1 A 58 58 CYS H H 58 7.800 8.946 -1.146 1
1 324 . 11 1 1 A 58 58 CYS HA H 58 5.550 4.202 1.348 1
1 327 . 11 1 1 A 59 59 ALA H H 59 9.149 8.198 0.951 1
1 328 . 11 1 1 A 59 59 ALA HA H 59 4.072 4.094 -0.022 1
1 332 . 11 1 1 A 60 60 ASP H H 60 7.878 8.241 -0.363 1
1 333 . 11 1 1 A 60 60 ASP HA H 60 4.543 4.298 0.245 1
1 336 . 11 1 1 A 61 61 CYS H H 61 6.557 9.044 -2.487 1
1 337 . 11 1 1 A 61 61 CYS HA H 61 4.728 4.398 0.330 1
1 340 . 11 1 1 A 62 62 HIS H H 62 7.267 8.791 -1.524 1
1 341 . 11 1 1 A 62 62 HIS HA H 62 3.031 4.708 -1.677 1
1 347 . 11 1 1 A 63 63 ALA H H 63 7.251 7.305 -0.054 1
1 348 . 11 1 1 A 63 63 ALA HA H 63 4.202 4.082 0.120 1
1 352 . 11 1 1 A 64 64 PRO HA H 64 3.270 4.301 -1.031 1
1 359 . 11 1 1 A 65 65 HIS H H 65 7.148 8.186 -1.038 1
1 360 . 11 1 1 A 65 65 HIS HA H 65 2.937 4.755 -1.818 1
1 366 . 11 1 1 A 66 66 GLU H H 66 7.113 8.416 -1.303 1
1 367 . 11 1 1 A 66 66 GLU HA H 66 3.936 4.513 -0.577 1
1 371 . 11 1 1 A 67 67 ALA H H 67 7.983 8.622 -0.639 1
1 372 . 11 1 1 A 67 67 ALA HA H 67 3.852 4.352 -0.500 1
1 376 . 11 1 1 A 68 68 LYS H H 68 7.981 8.818 -0.837 1
1 377 . 11 1 1 A 68 68 LYS HA H 68 4.293 4.788 -0.495 1
1 382 . 11 1 1 A 69 69 VAL H H 69 7.859 8.224 -0.365 1
1 383 . 11 1 1 A 69 69 VAL HA H 69 3.207 3.330 -0.123 1
1 391 . 11 1 1 A 70 70 GLY H H 70 8.901 8.767 0.134 1
1 392 . 11 1 1 A 70 70 GLY HA2 H 70 4.234 3.856 0.378 1
1 393 . 11 1 1 A 70 70 GLY HA3 H 70 3.817 3.858 -0.041 1
1 394 . 11 1 1 A 71 71 GLU H H 71 7.596 7.714 -0.118 1
1 395 . 11 1 1 A 71 71 GLU HA H 71 4.437 4.650 -0.213 1
1 398 . 11 1 1 A 72 72 LYS H H 72 8.483 8.423 0.060 1
1 399 . 11 1 1 A 72 72 LYS HA H 72 4.571 4.450 0.121 1
1 402 . 11 1 1 A 73 73 PRO HA H 73 4.419 4.420 -0.001 1
1 409 . 11 1 1 A 74 74 THR H H 74 8.511 8.254 0.257 1
1 410 . 11 1 1 A 74 74 THR HA H 74 5.336 4.637 0.699 1
1 415 . 11 1 1 A 75 75 CYS H H 75 8.998 9.193 -0.195 1
1 416 . 11 1 1 A 75 75 CYS HA H 75 5.967 4.138 1.829 1
1 419 . 11 1 1 A 76 76 ASP H H 76 8.504 8.275 0.229 1
1 420 . 11 1 1 A 76 76 ASP HA H 76 4.565 4.778 -0.213 1
1 422 . 11 1 1 A 77 77 THR H H 77 7.809 7.393 0.416 1
1 423 . 11 1 1 A 77 77 THR HA H 77 3.983 3.895 0.088 1
1 428 . 11 1 1 A 78 78 CYS H H 78 6.634 8.518 -1.884 1
1 429 . 11 1 1 A 78 78 CYS HA H 78 4.427 4.450 -0.023 1
1 432 . 11 1 1 A 79 79 HIS H H 79 7.043 8.262 -1.219 1
1 433 . 11 1 1 A 79 79 HIS HA H 79 3.437 4.723 -1.286 1
1 439 . 11 1 1 A 80 80 ASP H H 80 7.826 8.965 -1.139 1
1 440 . 11 1 1 A 80 80 ASP HA H 80 4.464 4.966 -0.502 1
1 443 . 11 1 1 A 81 81 ASP H H 81 7.139 7.991 -0.852 1
1 444 . 11 1 1 A 81 81 ASP HA H 81 4.321 4.615 -0.294 1
1 447 . 11 1 1 A 82 82 GLY H H 82 8.545 8.247 0.298 1
1 448 . 11 1 1 A 82 82 GLY HA2 H 82 3.871 3.951 -0.080 1
1 449 . 11 1 1 A 82 82 GLY HA3 H 82 3.534 3.955 -0.421 1
1 450 . 11 1 1 A 83 83 ARG H H 83 6.845 8.302 -1.457 1
1 451 . 11 1 1 A 83 83 ARG HA H 83 4.250 4.254 -0.004 1
1 459 . 11 1 1 A 84 84 THR H H 84 8.063 8.541 -0.478 1
1 460 . 11 1 1 A 84 84 THR HA H 84 5.059 5.105 -0.046 1
1 465 . 11 1 1 A 85 85 ALA H H 85 8.904 8.544 0.360 1
1 466 . 11 1 1 A 85 85 ALA HA H 85 4.736 4.516 0.220 1
1 1 . 12 1 1 A 2 2 ASP HA H 2 4.450 5.004 -0.554 1
1 2 . 12 1 1 A 3 3 GLU H H 3 8.214 8.885 -0.671 1
1 3 . 12 1 1 A 3 3 GLU HA H 3 4.213 5.058 -0.845 1
1 8 . 12 1 1 A 4 4 THR H H 4 8.208 8.780 -0.572 1
1 9 . 12 1 1 A 4 4 THR HA H 4 4.367 4.710 -0.343 1
1 14 . 12 1 1 A 5 5 LEU H H 5 8.068 8.508 -0.440 1
1 15 . 12 1 1 A 5 5 LEU HA H 5 3.094 4.215 -1.121 1
1 25 . 12 1 1 A 6 6 ALA H H 6 7.938 8.237 -0.299 1
1 26 . 12 1 1 A 6 6 ALA HA H 6 2.662 3.933 -1.271 1
1 30 . 12 1 1 A 7 7 GLU H H 7 6.938 7.777 -0.839 1
1 31 . 12 1 1 A 7 7 GLU HA H 7 3.273 4.117 -0.844 1
1 36 . 12 1 1 A 8 8 PHE H H 8 7.568 8.385 -0.817 1
1 37 . 12 1 1 A 8 8 PHE HA H 8 3.752 4.144 -0.392 1
1 45 . 12 1 1 A 9 9 HIS H H 9 6.505 8.114 -1.609 1
1 46 . 12 1 1 A 9 9 HIS HA H 9 2.781 4.186 -1.405 1
1 52 . 12 1 1 A 10 10 VAL H H 10 8.569 8.266 0.303 1
1 53 . 12 1 1 A 10 10 VAL HA H 10 3.499 3.458 0.041 1
1 61 . 12 1 1 A 11 11 GLU H H 11 7.185 8.549 -1.364 1
1 62 . 12 1 1 A 11 11 GLU HA H 11 3.843 4.021 -0.178 1
1 67 . 12 1 1 A 12 12 MET H H 12 6.578 7.597 -1.019 1
1 68 . 12 1 1 A 12 12 MET HA H 12 4.240 4.439 -0.199 1
1 75 . 12 1 1 A 13 13 GLY H H 13 7.583 8.526 -0.943 1
1 76 . 12 1 1 A 13 13 GLY HA2 H 13 4.459 4.129 0.330 1
1 77 . 12 1 1 A 13 13 GLY HA3 H 13 3.916 4.133 -0.217 1
1 78 . 12 1 1 A 14 14 GLY H H 14 8.818 7.479 1.339 1
1 79 . 12 1 1 A 14 14 GLY HA2 H 14 4.646 4.132 0.514 1
1 80 . 12 1 1 A 14 14 GLY HA3 H 14 4.203 4.133 0.070 1
1 81 . 12 1 1 A 15 15 CYS H H 15 9.211 8.764 0.447 1
1 82 . 12 1 1 A 15 15 CYS HA H 15 5.103 4.451 0.652 1
1 85 . 12 1 1 A 16 16 GLU H H 16 9.687 8.039 1.648 1
1 86 . 12 1 1 A 16 16 GLU HA H 16 4.684 4.792 -0.108 1
1 91 . 12 1 1 A 17 17 ASN H H 17 7.564 7.812 -0.248 1
1 92 . 12 1 1 A 17 17 ASN HA H 17 4.312 4.497 -0.185 1
1 96 . 12 1 1 A 18 18 CYS H H 18 6.420 7.218 -0.798 1
1 97 . 12 1 1 A 18 18 CYS HA H 18 4.663 4.432 0.231 1
1 100 . 12 1 1 A 19 19 HIS H H 19 6.637 7.562 -0.925 1
1 101 . 12 1 1 A 19 19 HIS HA H 19 3.768 5.255 -1.487 1
1 107 . 12 1 1 A 20 20 ALA H H 20 7.669 8.801 -1.132 1
1 108 . 12 1 1 A 20 20 ALA HA H 20 3.596 4.581 -0.985 1
1 112 . 12 1 1 A 21 21 ASP H H 21 9.152 9.519 -0.367 1
1 113 . 12 1 1 A 21 21 ASP HA H 21 4.059 4.369 -0.310 1
1 116 . 12 1 1 A 22 22 GLY H H 22 7.497 8.745 -1.248 1
1 117 . 12 1 1 A 22 22 GLY HA2 H 22 3.774 3.923 -0.149 1
1 118 . 12 1 1 A 22 22 GLY HA3 H 22 2.380 3.940 -1.560 1
1 119 . 12 1 1 A 23 23 GLU H H 23 6.896 7.741 -0.845 1
1 120 . 12 1 1 A 23 23 GLU HA H 23 4.029 4.783 -0.754 1
1 125 . 12 1 1 A 24 24 PRO HA H 24 2.264 4.476 -2.212 1
1 132 . 12 1 1 A 25 25 SER H H 25 8.295 8.732 -0.437 1
1 133 . 12 1 1 A 25 25 SER HA H 25 4.243 4.483 -0.240 1
1 135 . 12 1 1 A 26 26 LYS H H 26 8.813 8.618 0.195 1
1 136 . 12 1 1 A 26 26 LYS HA H 26 4.369 4.685 -0.316 1
1 141 . 12 1 1 A 27 27 ASP H H 27 7.852 8.142 -0.290 1
1 142 . 12 1 1 A 27 27 ASP HA H 27 4.833 4.810 0.023 1
1 145 . 12 1 1 A 28 28 GLY H H 28 8.560 8.020 0.540 1
1 146 . 12 1 1 A 28 28 GLY HA2 H 28 4.397 3.997 0.400 1
1 147 . 12 1 1 A 28 28 GLY HA3 H 28 4.177 4.023 0.154 1
1 148 . 12 1 1 A 29 29 ALA H H 29 8.375 8.303 0.072 1
1 149 . 12 1 1 A 29 29 ALA HA H 29 4.391 4.159 0.232 1
1 153 . 12 1 1 A 30 30 TYR H H 30 8.661 8.438 0.223 1
1 154 . 12 1 1 A 30 30 TYR HA H 30 4.014 4.114 -0.100 1
1 160 . 12 1 1 A 31 31 GLU H H 31 9.525 8.159 1.366 1
1 161 . 12 1 1 A 31 31 GLU HA H 31 4.238 3.863 0.375 1
1 164 . 12 1 1 A 32 32 PHE H H 32 8.247 8.095 0.152 1
1 165 . 12 1 1 A 32 32 PHE HA H 32 5.401 4.045 1.356 1
1 172 . 12 1 1 A 33 33 GLU H H 33 8.353 8.037 0.316 1
1 173 . 12 1 1 A 33 33 GLU HA H 33 3.763 3.583 0.180 1
1 178 . 12 1 1 A 34 34 GLN H H 34 8.408 8.323 0.085 1
1 179 . 12 1 1 A 34 34 GLN HA H 34 4.288 3.985 0.303 1
1 186 . 12 1 1 A 35 35 CYS H H 35 10.043 7.386 2.657 1
1 187 . 12 1 1 A 35 35 CYS HA H 35 5.048 4.671 0.377 1
1 190 . 12 1 1 A 36 36 GLN H H 36 7.667 7.751 -0.084 1
1 191 . 12 1 1 A 36 36 GLN HA H 36 4.122 4.672 -0.550 1
1 197 . 12 1 1 A 37 37 SER H H 37 8.069 8.063 0.006 1
1 198 . 12 1 1 A 37 37 SER HA H 37 4.104 4.645 -0.541 1
1 200 . 12 1 1 A 38 38 CYS H H 38 6.534 8.564 -2.030 1
1 201 . 12 1 1 A 38 38 CYS HA H 38 4.458 4.144 0.314 1
1 204 . 12 1 1 A 39 39 HIS H H 39 7.195 7.954 -0.759 1
1 205 . 12 1 1 A 39 39 HIS HA H 39 3.167 4.707 -1.540 1
1 211 . 12 1 1 A 40 40 GLY H H 40 7.528 7.604 -0.076 1
1 212 . 12 1 1 A 40 40 GLY HA2 H 40 3.838 4.036 -0.198 1
1 213 . 12 1 1 A 40 40 GLY HA3 H 40 3.336 4.050 -0.714 1
1 214 . 12 1 1 A 41 41 SER H H 41 7.364 8.320 -0.956 1
1 215 . 12 1 1 A 41 41 SER HA H 41 4.332 5.208 -0.876 1
1 218 . 12 1 1 A 42 42 LEU H H 42 8.713 9.158 -0.445 1
1 219 . 12 1 1 A 42 42 LEU HA H 42 3.145 4.104 -0.959 1
1 229 . 12 1 1 A 43 43 ALA H H 43 7.277 7.918 -0.641 1
1 230 . 12 1 1 A 43 43 ALA HA H 43 3.522 4.237 -0.715 1
1 234 . 12 1 1 A 44 44 GLU H H 44 6.953 8.727 -1.774 1
1 235 . 12 1 1 A 44 44 GLU HA H 44 4.001 4.567 -0.566 1
1 239 . 12 1 1 A 45 45 MET H H 45 6.301 7.839 -1.538 1
1 240 . 12 1 1 A 45 45 MET HA H 45 3.491 4.809 -1.318 1
1 248 . 12 1 1 A 46 46 ASP H H 46 6.781 8.619 -1.838 1
1 249 . 12 1 1 A 46 46 ASP HA H 46 3.893 4.735 -0.842 1
1 252 . 12 1 1 A 47 47 ASP H H 47 7.863 8.698 -0.835 1
1 253 . 12 1 1 A 47 47 ASP HA H 47 3.940 4.531 -0.591 1
1 256 . 12 1 1 A 48 48 ASN H H 48 7.316 8.081 -0.765 1
1 257 . 12 1 1 A 48 48 ASN HA H 48 4.186 4.741 -0.555 1
1 262 . 12 1 1 A 49 49 HIS H H 49 6.197 8.150 -1.953 1
1 263 . 12 1 1 A 49 49 HIS HA H 49 1.562 4.474 -2.912 1
1 269 . 12 1 1 A 50 50 LYS H H 50 7.161 7.901 -0.740 1
1 270 . 12 1 1 A 50 50 LYS HA H 50 3.125 3.964 -0.839 1
1 276 . 12 1 1 A 51 51 PRO HA H 51 3.694 4.154 -0.460 1
1 283 . 12 1 1 A 52 52 HIS H H 52 6.170 7.592 -1.422 1
1 284 . 12 1 1 A 52 52 HIS HA H 52 2.763 4.276 -1.513 1
1 290 . 12 1 1 A 53 53 ASP H H 53 6.870 8.598 -1.728 1
1 291 . 12 1 1 A 53 53 ASP HA H 53 4.033 4.179 -0.146 1
1 294 . 12 1 1 A 54 54 GLY H H 54 8.685 8.726 -0.041 1
1 295 . 12 1 1 A 54 54 GLY HA2 H 54 4.253 4.013 0.240 1
1 296 . 12 1 1 A 54 54 GLY HA3 H 54 3.660 4.025 -0.365 1
1 297 . 12 1 1 A 55 55 LEU H H 55 7.965 7.868 0.097 1
1 298 . 12 1 1 A 55 55 LEU HA H 55 4.636 4.545 0.091 1
1 307 . 12 1 1 A 56 56 LEU H H 56 7.090 7.762 -0.672 1
1 308 . 12 1 1 A 56 56 LEU HA H 56 4.894 4.953 -0.059 1
1 318 . 12 1 1 A 57 57 MET H H 57 9.052 9.603 -0.551 1
1 319 . 12 1 1 A 57 57 MET HA H 57 4.032 4.259 -0.227 1
1 323 . 12 1 1 A 58 58 CYS H H 58 7.800 8.754 -0.954 1
1 324 . 12 1 1 A 58 58 CYS HA H 58 5.550 4.149 1.401 1
1 327 . 12 1 1 A 59 59 ALA H H 59 9.149 8.148 1.001 1
1 328 . 12 1 1 A 59 59 ALA HA H 59 4.072 4.088 -0.016 1
1 332 . 12 1 1 A 60 60 ASP H H 60 7.878 8.224 -0.346 1
1 333 . 12 1 1 A 60 60 ASP HA H 60 4.543 4.294 0.249 1
1 336 . 12 1 1 A 61 61 CYS H H 61 6.557 8.957 -2.400 1
1 337 . 12 1 1 A 61 61 CYS HA H 61 4.728 4.396 0.332 1
1 340 . 12 1 1 A 62 62 HIS H H 62 7.267 8.705 -1.438 1
1 341 . 12 1 1 A 62 62 HIS HA H 62 3.031 4.725 -1.694 1
1 347 . 12 1 1 A 63 63 ALA H H 63 7.251 7.471 -0.220 1
1 348 . 12 1 1 A 63 63 ALA HA H 63 4.202 4.082 0.120 1
1 352 . 12 1 1 A 64 64 PRO HA H 64 3.270 4.308 -1.038 1
1 359 . 12 1 1 A 65 65 HIS H H 65 7.148 8.199 -1.051 1
1 360 . 12 1 1 A 65 65 HIS HA H 65 2.937 4.725 -1.788 1
1 366 . 12 1 1 A 66 66 GLU H H 66 7.113 8.483 -1.370 1
1 367 . 12 1 1 A 66 66 GLU HA H 66 3.936 4.497 -0.561 1
1 371 . 12 1 1 A 67 67 ALA H H 67 7.983 8.862 -0.879 1
1 372 . 12 1 1 A 67 67 ALA HA H 67 3.852 4.365 -0.513 1
1 376 . 12 1 1 A 68 68 LYS H H 68 7.981 8.814 -0.833 1
1 377 . 12 1 1 A 68 68 LYS HA H 68 4.293 4.778 -0.485 1
1 382 . 12 1 1 A 69 69 VAL H H 69 7.859 8.234 -0.375 1
1 383 . 12 1 1 A 69 69 VAL HA H 69 3.207 3.391 -0.184 1
1 391 . 12 1 1 A 70 70 GLY H H 70 8.901 8.824 0.077 1
1 392 . 12 1 1 A 70 70 GLY HA2 H 70 4.234 3.982 0.252 1
1 393 . 12 1 1 A 70 70 GLY HA3 H 70 3.817 3.983 -0.166 1
1 394 . 12 1 1 A 71 71 GLU H H 71 7.596 8.281 -0.685 1
1 395 . 12 1 1 A 71 71 GLU HA H 71 4.437 4.361 0.076 1
1 398 . 12 1 1 A 72 72 LYS H H 72 8.483 8.378 0.105 1
1 399 . 12 1 1 A 72 72 LYS HA H 72 4.571 4.841 -0.270 1
1 402 . 12 1 1 A 73 73 PRO HA H 73 4.419 4.389 0.030 1
1 409 . 12 1 1 A 74 74 THR H H 74 8.511 8.217 0.294 1
1 410 . 12 1 1 A 74 74 THR HA H 74 5.336 4.773 0.563 1
1 415 . 12 1 1 A 75 75 CYS H H 75 8.998 9.243 -0.245 1
1 416 . 12 1 1 A 75 75 CYS HA H 75 5.967 4.168 1.799 1
1 419 . 12 1 1 A 76 76 ASP H H 76 8.504 8.379 0.125 1
1 420 . 12 1 1 A 76 76 ASP HA H 76 4.565 4.610 -0.045 1
1 422 . 12 1 1 A 77 77 THR H H 77 7.809 7.699 0.110 1
1 423 . 12 1 1 A 77 77 THR HA H 77 3.983 4.302 -0.319 1
1 428 . 12 1 1 A 78 78 CYS H H 78 6.634 7.739 -1.105 1
1 429 . 12 1 1 A 78 78 CYS HA H 78 4.427 4.561 -0.134 1
1 432 . 12 1 1 A 79 79 HIS H H 79 7.043 9.051 -2.008 1
1 433 . 12 1 1 A 79 79 HIS HA H 79 3.437 4.727 -1.290 1
1 439 . 12 1 1 A 80 80 ASP H H 80 7.826 8.946 -1.120 1
1 440 . 12 1 1 A 80 80 ASP HA H 80 4.464 4.275 0.189 1
1 443 . 12 1 1 A 81 81 ASP H H 81 7.139 7.777 -0.638 1
1 444 . 12 1 1 A 81 81 ASP HA H 81 4.321 4.682 -0.361 1
1 447 . 12 1 1 A 82 82 GLY H H 82 8.545 8.536 0.009 1
1 448 . 12 1 1 A 82 82 GLY HA2 H 82 3.871 3.843 0.028 1
1 449 . 12 1 1 A 82 82 GLY HA3 H 82 3.534 3.847 -0.313 1
1 450 . 12 1 1 A 83 83 ARG H H 83 6.845 7.692 -0.847 1
1 451 . 12 1 1 A 83 83 ARG HA H 83 4.250 4.212 0.038 1
1 459 . 12 1 1 A 84 84 THR H H 84 8.063 8.564 -0.501 1
1 460 . 12 1 1 A 84 84 THR HA H 84 5.059 5.123 -0.064 1
1 465 . 12 1 1 A 85 85 ALA H H 85 8.904 8.596 0.308 1
1 466 . 12 1 1 A 85 85 ALA HA H 85 4.736 4.438 0.298 1
1 1 . 13 1 1 A 2 2 ASP HA H 2 4.450 4.982 -0.532 1
1 2 . 13 1 1 A 3 3 GLU H H 3 8.214 8.516 -0.302 1
1 3 . 13 1 1 A 3 3 GLU HA H 3 4.213 4.229 -0.016 1
1 8 . 13 1 1 A 4 4 THR H H 4 8.208 8.534 -0.326 1
1 9 . 13 1 1 A 4 4 THR HA H 4 4.367 4.729 -0.362 1
1 14 . 13 1 1 A 5 5 LEU H H 5 8.068 8.842 -0.774 1
1 15 . 13 1 1 A 5 5 LEU HA H 5 3.094 4.201 -1.107 1
1 25 . 13 1 1 A 6 6 ALA H H 6 7.938 8.071 -0.133 1
1 26 . 13 1 1 A 6 6 ALA HA H 6 2.662 3.954 -1.292 1
1 30 . 13 1 1 A 7 7 GLU H H 7 6.938 7.782 -0.844 1
1 31 . 13 1 1 A 7 7 GLU HA H 7 3.273 4.063 -0.790 1
1 36 . 13 1 1 A 8 8 PHE H H 8 7.568 8.475 -0.907 1
1 37 . 13 1 1 A 8 8 PHE HA H 8 3.752 4.276 -0.524 1
1 45 . 13 1 1 A 9 9 HIS H H 9 6.505 8.079 -1.574 1
1 46 . 13 1 1 A 9 9 HIS HA H 9 2.781 4.180 -1.399 1
1 52 . 13 1 1 A 10 10 VAL H H 10 8.569 8.624 -0.055 1
1 53 . 13 1 1 A 10 10 VAL HA H 10 3.499 3.633 -0.134 1
1 61 . 13 1 1 A 11 11 GLU H H 11 7.185 8.598 -1.413 1
1 62 . 13 1 1 A 11 11 GLU HA H 11 3.843 4.021 -0.178 1
1 67 . 13 1 1 A 12 12 MET H H 12 6.578 7.844 -1.266 1
1 68 . 13 1 1 A 12 12 MET HA H 12 4.240 4.468 -0.228 1
1 75 . 13 1 1 A 13 13 GLY H H 13 7.583 8.504 -0.921 1
1 76 . 13 1 1 A 13 13 GLY HA2 H 13 4.459 4.127 0.332 1
1 77 . 13 1 1 A 13 13 GLY HA3 H 13 3.916 4.131 -0.215 1
1 78 . 13 1 1 A 14 14 GLY H H 14 8.818 7.472 1.346 1
1 79 . 13 1 1 A 14 14 GLY HA2 H 14 4.646 4.130 0.516 1
1 80 . 13 1 1 A 14 14 GLY HA3 H 14 4.203 4.132 0.071 1
1 81 . 13 1 1 A 15 15 CYS H H 15 9.211 8.737 0.474 1
1 82 . 13 1 1 A 15 15 CYS HA H 15 5.103 4.458 0.645 1
1 85 . 13 1 1 A 16 16 GLU H H 16 9.687 8.031 1.656 1
1 86 . 13 1 1 A 16 16 GLU HA H 16 4.684 4.810 -0.126 1
1 91 . 13 1 1 A 17 17 ASN H H 17 7.564 7.904 -0.340 1
1 92 . 13 1 1 A 17 17 ASN HA H 17 4.312 4.550 -0.238 1
1 96 . 13 1 1 A 18 18 CYS H H 18 6.420 7.692 -1.272 1
1 97 . 13 1 1 A 18 18 CYS HA H 18 4.663 4.417 0.246 1
1 100 . 13 1 1 A 19 19 HIS H H 19 6.637 7.490 -0.853 1
1 101 . 13 1 1 A 19 19 HIS HA H 19 3.768 5.231 -1.463 1
1 107 . 13 1 1 A 20 20 ALA H H 20 7.669 8.700 -1.031 1
1 108 . 13 1 1 A 20 20 ALA HA H 20 3.596 4.568 -0.972 1
1 112 . 13 1 1 A 21 21 ASP H H 21 9.152 9.513 -0.361 1
1 113 . 13 1 1 A 21 21 ASP HA H 21 4.059 4.367 -0.308 1
1 116 . 13 1 1 A 22 22 GLY H H 22 7.497 8.742 -1.245 1
1 117 . 13 1 1 A 22 22 GLY HA2 H 22 3.774 3.923 -0.149 1
1 118 . 13 1 1 A 22 22 GLY HA3 H 22 2.380 3.942 -1.562 1
1 119 . 13 1 1 A 23 23 GLU H H 23 6.896 7.748 -0.852 1
1 120 . 13 1 1 A 23 23 GLU HA H 23 4.029 4.791 -0.762 1
1 125 . 13 1 1 A 24 24 PRO HA H 24 2.264 4.479 -2.215 1
1 132 . 13 1 1 A 25 25 SER H H 25 8.295 8.562 -0.267 1
1 133 . 13 1 1 A 25 25 SER HA H 25 4.243 4.625 -0.382 1
1 135 . 13 1 1 A 26 26 LYS H H 26 8.813 8.649 0.164 1
1 136 . 13 1 1 A 26 26 LYS HA H 26 4.369 4.686 -0.317 1
1 141 . 13 1 1 A 27 27 ASP H H 27 7.852 7.889 -0.037 1
1 142 . 13 1 1 A 27 27 ASP HA H 27 4.833 4.801 0.032 1
1 145 . 13 1 1 A 28 28 GLY H H 28 8.560 7.719 0.841 1
1 146 . 13 1 1 A 28 28 GLY HA2 H 28 4.397 3.984 0.413 1
1 147 . 13 1 1 A 28 28 GLY HA3 H 28 4.177 4.014 0.163 1
1 148 . 13 1 1 A 29 29 ALA H H 29 8.375 8.289 0.086 1
1 149 . 13 1 1 A 29 29 ALA HA H 29 4.391 4.180 0.211 1
1 153 . 13 1 1 A 30 30 TYR H H 30 8.661 9.238 -0.577 1
1 154 . 13 1 1 A 30 30 TYR HA H 30 4.014 4.036 -0.022 1
1 160 . 13 1 1 A 31 31 GLU H H 31 9.525 8.184 1.341 1
1 161 . 13 1 1 A 31 31 GLU HA H 31 4.238 3.875 0.363 1
1 164 . 13 1 1 A 32 32 PHE H H 32 8.247 8.392 -0.145 1
1 165 . 13 1 1 A 32 32 PHE HA H 32 5.401 3.996 1.405 1
1 172 . 13 1 1 A 33 33 GLU H H 33 8.353 8.172 0.181 1
1 173 . 13 1 1 A 33 33 GLU HA H 33 3.763 3.699 0.064 1
1 178 . 13 1 1 A 34 34 GLN H H 34 8.408 8.320 0.088 1
1 179 . 13 1 1 A 34 34 GLN HA H 34 4.288 3.916 0.372 1
1 186 . 13 1 1 A 35 35 CYS H H 35 10.043 7.176 2.867 1
1 187 . 13 1 1 A 35 35 CYS HA H 35 5.048 4.601 0.447 1
1 190 . 13 1 1 A 36 36 GLN H H 36 7.667 7.400 0.267 1
1 191 . 13 1 1 A 36 36 GLN HA H 36 4.122 4.589 -0.467 1
1 197 . 13 1 1 A 37 37 SER H H 37 8.069 7.670 0.399 1
1 198 . 13 1 1 A 37 37 SER HA H 37 4.104 4.616 -0.512 1
1 200 . 13 1 1 A 38 38 CYS H H 38 6.534 8.546 -2.012 1
1 201 . 13 1 1 A 38 38 CYS HA H 38 4.458 4.129 0.329 1
1 204 . 13 1 1 A 39 39 HIS H H 39 7.195 7.941 -0.746 1
1 205 . 13 1 1 A 39 39 HIS HA H 39 3.167 4.696 -1.529 1
1 211 . 13 1 1 A 40 40 GLY H H 40 7.528 7.546 -0.018 1
1 212 . 13 1 1 A 40 40 GLY HA2 H 40 3.838 4.070 -0.232 1
1 213 . 13 1 1 A 40 40 GLY HA3 H 40 3.336 4.090 -0.754 1
1 214 . 13 1 1 A 41 41 SER H H 41 7.364 8.356 -0.992 1
1 215 . 13 1 1 A 41 41 SER HA H 41 4.332 5.186 -0.854 1
1 218 . 13 1 1 A 42 42 LEU H H 42 8.713 9.053 -0.340 1
1 219 . 13 1 1 A 42 42 LEU HA H 42 3.145 4.165 -1.020 1
1 229 . 13 1 1 A 43 43 ALA H H 43 7.277 7.709 -0.432 1
1 230 . 13 1 1 A 43 43 ALA HA H 43 3.522 4.249 -0.727 1
1 234 . 13 1 1 A 44 44 GLU H H 44 6.953 8.405 -1.452 1
1 235 . 13 1 1 A 44 44 GLU HA H 44 4.001 4.533 -0.532 1
1 239 . 13 1 1 A 45 45 MET H H 45 6.301 7.702 -1.401 1
1 240 . 13 1 1 A 45 45 MET HA H 45 3.491 4.799 -1.308 1
1 248 . 13 1 1 A 46 46 ASP H H 46 6.781 8.538 -1.757 1
1 249 . 13 1 1 A 46 46 ASP HA H 46 3.893 4.728 -0.835 1
1 252 . 13 1 1 A 47 47 ASP H H 47 7.863 8.705 -0.842 1
1 253 . 13 1 1 A 47 47 ASP HA H 47 3.940 4.535 -0.595 1
1 256 . 13 1 1 A 48 48 ASN H H 48 7.316 8.078 -0.762 1
1 257 . 13 1 1 A 48 48 ASN HA H 48 4.186 4.750 -0.564 1
1 262 . 13 1 1 A 49 49 HIS H H 49 6.197 7.941 -1.744 1
1 263 . 13 1 1 A 49 49 HIS HA H 49 1.562 4.520 -2.958 1
1 269 . 13 1 1 A 50 50 LYS H H 50 7.161 7.905 -0.744 1
1 270 . 13 1 1 A 50 50 LYS HA H 50 3.125 4.123 -0.998 1
1 276 . 13 1 1 A 51 51 PRO HA H 51 3.694 4.165 -0.471 1
1 283 . 13 1 1 A 52 52 HIS H H 52 6.170 7.567 -1.397 1
1 284 . 13 1 1 A 52 52 HIS HA H 52 2.763 4.228 -1.465 1
1 290 . 13 1 1 A 53 53 ASP H H 53 6.870 8.605 -1.735 1
1 291 . 13 1 1 A 53 53 ASP HA H 53 4.033 4.256 -0.223 1
1 294 . 13 1 1 A 54 54 GLY H H 54 8.685 8.812 -0.127 1
1 295 . 13 1 1 A 54 54 GLY HA2 H 54 4.253 3.990 0.263 1
1 296 . 13 1 1 A 54 54 GLY HA3 H 54 3.660 4.017 -0.357 1
1 297 . 13 1 1 A 55 55 LEU H H 55 7.965 7.896 0.069 1
1 298 . 13 1 1 A 55 55 LEU HA H 55 4.636 4.536 0.100 1
1 307 . 13 1 1 A 56 56 LEU H H 56 7.090 7.768 -0.678 1
1 308 . 13 1 1 A 56 56 LEU HA H 56 4.894 4.882 0.012 1
1 318 . 13 1 1 A 57 57 MET H H 57 9.052 8.309 0.743 1
1 319 . 13 1 1 A 57 57 MET HA H 57 4.032 4.309 -0.277 1
1 323 . 13 1 1 A 58 58 CYS H H 58 7.800 8.978 -1.178 1
1 324 . 13 1 1 A 58 58 CYS HA H 58 5.550 4.225 1.325 1
1 327 . 13 1 1 A 59 59 ALA H H 59 9.149 8.196 0.953 1
1 328 . 13 1 1 A 59 59 ALA HA H 59 4.072 4.101 -0.029 1
1 332 . 13 1 1 A 60 60 ASP H H 60 7.878 8.293 -0.415 1
1 333 . 13 1 1 A 60 60 ASP HA H 60 4.543 4.301 0.242 1
1 336 . 13 1 1 A 61 61 CYS H H 61 6.557 9.120 -2.563 1
1 337 . 13 1 1 A 61 61 CYS HA H 61 4.728 4.402 0.326 1
1 340 . 13 1 1 A 62 62 HIS H H 62 7.267 8.922 -1.655 1
1 341 . 13 1 1 A 62 62 HIS HA H 62 3.031 4.698 -1.667 1
1 347 . 13 1 1 A 63 63 ALA H H 63 7.251 7.262 -0.011 1
1 348 . 13 1 1 A 63 63 ALA HA H 63 4.202 4.085 0.117 1
1 352 . 13 1 1 A 64 64 PRO HA H 64 3.270 4.309 -1.039 1
1 359 . 13 1 1 A 65 65 HIS H H 65 7.148 8.189 -1.041 1
1 360 . 13 1 1 A 65 65 HIS HA H 65 2.937 4.726 -1.789 1
1 366 . 13 1 1 A 66 66 GLU H H 66 7.113 8.399 -1.286 1
1 367 . 13 1 1 A 66 66 GLU HA H 66 3.936 4.431 -0.495 1
1 371 . 13 1 1 A 67 67 ALA H H 67 7.983 8.519 -0.536 1
1 372 . 13 1 1 A 67 67 ALA HA H 67 3.852 4.363 -0.511 1
1 376 . 13 1 1 A 68 68 LYS H H 68 7.981 8.649 -0.668 1
1 377 . 13 1 1 A 68 68 LYS HA H 68 4.293 4.815 -0.522 1
1 382 . 13 1 1 A 69 69 VAL H H 69 7.859 8.261 -0.402 1
1 383 . 13 1 1 A 69 69 VAL HA H 69 3.207 3.333 -0.126 1
1 391 . 13 1 1 A 70 70 GLY H H 70 8.901 8.751 0.150 1
1 392 . 13 1 1 A 70 70 GLY HA2 H 70 4.234 3.830 0.404 1
1 393 . 13 1 1 A 70 70 GLY HA3 H 70 3.817 3.838 -0.021 1
1 394 . 13 1 1 A 71 71 GLU H H 71 7.596 7.534 0.062 1
1 395 . 13 1 1 A 71 71 GLU HA H 71 4.437 4.575 -0.138 1
1 398 . 13 1 1 A 72 72 LYS H H 72 8.483 8.378 0.105 1
1 399 . 13 1 1 A 72 72 LYS HA H 72 4.571 4.442 0.129 1
1 402 . 13 1 1 A 73 73 PRO HA H 73 4.419 4.416 0.003 1
1 409 . 13 1 1 A 74 74 THR H H 74 8.511 8.255 0.256 1
1 410 . 13 1 1 A 74 74 THR HA H 74 5.336 4.738 0.598 1
1 415 . 13 1 1 A 75 75 CYS H H 75 8.998 9.199 -0.201 1
1 416 . 13 1 1 A 75 75 CYS HA H 75 5.967 4.102 1.865 1
1 419 . 13 1 1 A 76 76 ASP H H 76 8.504 8.439 0.065 1
1 420 . 13 1 1 A 76 76 ASP HA H 76 4.565 4.860 -0.295 1
1 422 . 13 1 1 A 77 77 THR H H 77 7.809 7.665 0.144 1
1 423 . 13 1 1 A 77 77 THR HA H 77 3.983 3.900 0.083 1
1 428 . 13 1 1 A 78 78 CYS H H 78 6.634 8.492 -1.858 1
1 429 . 13 1 1 A 78 78 CYS HA H 78 4.427 4.431 -0.004 1
1 432 . 13 1 1 A 79 79 HIS H H 79 7.043 8.266 -1.223 1
1 433 . 13 1 1 A 79 79 HIS HA H 79 3.437 4.725 -1.288 1
1 439 . 13 1 1 A 80 80 ASP H H 80 7.826 9.102 -1.276 1
1 440 . 13 1 1 A 80 80 ASP HA H 80 4.464 4.867 -0.403 1
1 443 . 13 1 1 A 81 81 ASP H H 81 7.139 8.046 -0.907 1
1 444 . 13 1 1 A 81 81 ASP HA H 81 4.321 4.643 -0.322 1
1 447 . 13 1 1 A 82 82 GLY H H 82 8.545 8.229 0.316 1
1 448 . 13 1 1 A 82 82 GLY HA2 H 82 3.871 3.969 -0.098 1
1 449 . 13 1 1 A 82 82 GLY HA3 H 82 3.534 3.973 -0.439 1
1 450 . 13 1 1 A 83 83 ARG H H 83 6.845 8.253 -1.408 1
1 451 . 13 1 1 A 83 83 ARG HA H 83 4.250 4.257 -0.007 1
1 459 . 13 1 1 A 84 84 THR H H 84 8.063 8.573 -0.510 1
1 460 . 13 1 1 A 84 84 THR HA H 84 5.059 5.073 -0.014 1
1 465 . 13 1 1 A 85 85 ALA H H 85 8.904 8.482 0.422 1
1 466 . 13 1 1 A 85 85 ALA HA H 85 4.736 4.463 0.273 1
1 1 . 14 1 1 A 2 2 ASP HA H 2 4.450 5.051 -0.601 1
1 2 . 14 1 1 A 3 3 GLU H H 3 8.214 8.952 -0.738 1
1 3 . 14 1 1 A 3 3 GLU HA H 3 4.213 5.050 -0.837 1
1 8 . 14 1 1 A 4 4 THR H H 4 8.208 8.811 -0.603 1
1 9 . 14 1 1 A 4 4 THR HA H 4 4.367 4.808 -0.441 1
1 14 . 14 1 1 A 5 5 LEU H H 5 8.068 8.420 -0.352 1
1 15 . 14 1 1 A 5 5 LEU HA H 5 3.094 4.200 -1.106 1
1 25 . 14 1 1 A 6 6 ALA H H 6 7.938 8.127 -0.189 1
1 26 . 14 1 1 A 6 6 ALA HA H 6 2.662 3.905 -1.243 1
1 30 . 14 1 1 A 7 7 GLU H H 7 6.938 7.592 -0.654 1
1 31 . 14 1 1 A 7 7 GLU HA H 7 3.273 4.077 -0.804 1
1 36 . 14 1 1 A 8 8 PHE H H 8 7.568 8.270 -0.702 1
1 37 . 14 1 1 A 8 8 PHE HA H 8 3.752 4.140 -0.388 1
1 45 . 14 1 1 A 9 9 HIS H H 9 6.505 8.090 -1.585 1
1 46 . 14 1 1 A 9 9 HIS HA H 9 2.781 4.216 -1.435 1
1 52 . 14 1 1 A 10 10 VAL H H 10 8.569 8.537 0.032 1
1 53 . 14 1 1 A 10 10 VAL HA H 10 3.499 3.479 0.020 1
1 61 . 14 1 1 A 11 11 GLU H H 11 7.185 8.534 -1.349 1
1 62 . 14 1 1 A 11 11 GLU HA H 11 3.843 4.043 -0.200 1
1 67 . 14 1 1 A 12 12 MET H H 12 6.578 7.770 -1.192 1
1 68 . 14 1 1 A 12 12 MET HA H 12 4.240 4.501 -0.261 1
1 75 . 14 1 1 A 13 13 GLY H H 13 7.583 8.345 -0.762 1
1 76 . 14 1 1 A 13 13 GLY HA2 H 13 4.459 4.132 0.327 1
1 77 . 14 1 1 A 13 13 GLY HA3 H 13 3.916 4.137 -0.221 1
1 78 . 14 1 1 A 14 14 GLY H H 14 8.818 7.478 1.340 1
1 79 . 14 1 1 A 14 14 GLY HA2 H 14 4.646 4.131 0.515 1
1 80 . 14 1 1 A 14 14 GLY HA3 H 14 4.203 4.132 0.071 1
1 81 . 14 1 1 A 15 15 CYS H H 15 9.211 8.759 0.452 1
1 82 . 14 1 1 A 15 15 CYS HA H 15 5.103 4.448 0.655 1
1 85 . 14 1 1 A 16 16 GLU H H 16 9.687 7.971 1.716 1
1 86 . 14 1 1 A 16 16 GLU HA H 16 4.684 4.798 -0.114 1
1 91 . 14 1 1 A 17 17 ASN H H 17 7.564 7.828 -0.264 1
1 92 . 14 1 1 A 17 17 ASN HA H 17 4.312 4.496 -0.184 1
1 96 . 14 1 1 A 18 18 CYS H H 18 6.420 7.685 -1.265 1
1 97 . 14 1 1 A 18 18 CYS HA H 18 4.663 4.432 0.231 1
1 100 . 14 1 1 A 19 19 HIS H H 19 6.637 7.447 -0.810 1
1 101 . 14 1 1 A 19 19 HIS HA H 19 3.768 5.138 -1.370 1
1 107 . 14 1 1 A 20 20 ALA H H 20 7.669 8.596 -0.927 1
1 108 . 14 1 1 A 20 20 ALA HA H 20 3.596 4.417 -0.821 1
1 112 . 14 1 1 A 21 21 ASP H H 21 9.152 9.546 -0.394 1
1 113 . 14 1 1 A 21 21 ASP HA H 21 4.059 4.386 -0.327 1
1 116 . 14 1 1 A 22 22 GLY H H 22 7.497 8.755 -1.258 1
1 117 . 14 1 1 A 22 22 GLY HA2 H 22 3.774 3.943 -0.169 1
1 118 . 14 1 1 A 22 22 GLY HA3 H 22 2.380 3.979 -1.599 1
1 119 . 14 1 1 A 23 23 GLU H H 23 6.896 7.625 -0.729 1
1 120 . 14 1 1 A 23 23 GLU HA H 23 4.029 4.879 -0.850 1
1 125 . 14 1 1 A 24 24 PRO HA H 24 2.264 4.512 -2.248 1
1 132 . 14 1 1 A 25 25 SER H H 25 8.295 8.425 -0.130 1
1 133 . 14 1 1 A 25 25 SER HA H 25 4.243 4.493 -0.250 1
1 135 . 14 1 1 A 26 26 LYS H H 26 8.813 8.650 0.163 1
1 136 . 14 1 1 A 26 26 LYS HA H 26 4.369 4.539 -0.170 1
1 141 . 14 1 1 A 27 27 ASP H H 27 7.852 8.182 -0.330 1
1 142 . 14 1 1 A 27 27 ASP HA H 27 4.833 4.744 0.089 1
1 145 . 14 1 1 A 28 28 GLY H H 28 8.560 7.908 0.652 1
1 146 . 14 1 1 A 28 28 GLY HA2 H 28 4.397 3.965 0.432 1
1 147 . 14 1 1 A 28 28 GLY HA3 H 28 4.177 3.991 0.186 1
1 148 . 14 1 1 A 29 29 ALA H H 29 8.375 8.292 0.083 1
1 149 . 14 1 1 A 29 29 ALA HA H 29 4.391 4.126 0.265 1
1 153 . 14 1 1 A 30 30 TYR H H 30 8.661 8.164 0.497 1
1 154 . 14 1 1 A 30 30 TYR HA H 30 4.014 4.060 -0.046 1
1 160 . 14 1 1 A 31 31 GLU H H 31 9.525 8.527 0.998 1
1 161 . 14 1 1 A 31 31 GLU HA H 31 4.238 3.809 0.429 1
1 164 . 14 1 1 A 32 32 PHE H H 32 8.247 9.285 -1.038 1
1 165 . 14 1 1 A 32 32 PHE HA H 32 5.401 3.989 1.412 1
1 172 . 14 1 1 A 33 33 GLU H H 33 8.353 8.136 0.217 1
1 173 . 14 1 1 A 33 33 GLU HA H 33 3.763 3.539 0.224 1
1 178 . 14 1 1 A 34 34 GLN H H 34 8.408 8.431 -0.023 1
1 179 . 14 1 1 A 34 34 GLN HA H 34 4.288 3.922 0.366 1
1 186 . 14 1 1 A 35 35 CYS H H 35 10.043 7.282 2.761 1
1 187 . 14 1 1 A 35 35 CYS HA H 35 5.048 4.640 0.408 1
1 190 . 14 1 1 A 36 36 GLN H H 36 7.667 7.578 0.089 1
1 191 . 14 1 1 A 36 36 GLN HA H 36 4.122 4.549 -0.427 1
1 197 . 14 1 1 A 37 37 SER H H 37 8.069 8.255 -0.186 1
1 198 . 14 1 1 A 37 37 SER HA H 37 4.104 4.668 -0.564 1
1 200 . 14 1 1 A 38 38 CYS H H 38 6.534 8.569 -2.035 1
1 201 . 14 1 1 A 38 38 CYS HA H 38 4.458 4.178 0.280 1
1 204 . 14 1 1 A 39 39 HIS H H 39 7.195 7.955 -0.760 1
1 205 . 14 1 1 A 39 39 HIS HA H 39 3.167 4.693 -1.526 1
1 211 . 14 1 1 A 40 40 GLY H H 40 7.528 7.569 -0.041 1
1 212 . 14 1 1 A 40 40 GLY HA2 H 40 3.838 4.057 -0.219 1
1 213 . 14 1 1 A 40 40 GLY HA3 H 40 3.336 4.072 -0.736 1
1 214 . 14 1 1 A 41 41 SER H H 41 7.364 8.383 -1.019 1
1 215 . 14 1 1 A 41 41 SER HA H 41 4.332 5.135 -0.803 1
1 218 . 14 1 1 A 42 42 LEU H H 42 8.713 9.093 -0.380 1
1 219 . 14 1 1 A 42 42 LEU HA H 42 3.145 4.157 -1.012 1
1 229 . 14 1 1 A 43 43 ALA H H 43 7.277 7.975 -0.698 1
1 230 . 14 1 1 A 43 43 ALA HA H 43 3.522 4.246 -0.724 1
1 234 . 14 1 1 A 44 44 GLU H H 44 6.953 8.482 -1.529 1
1 235 . 14 1 1 A 44 44 GLU HA H 44 4.001 4.610 -0.609 1
1 239 . 14 1 1 A 45 45 MET H H 45 6.301 7.698 -1.397 1
1 240 . 14 1 1 A 45 45 MET HA H 45 3.491 4.804 -1.313 1
1 248 . 14 1 1 A 46 46 ASP H H 46 6.781 8.610 -1.829 1
1 249 . 14 1 1 A 46 46 ASP HA H 46 3.893 4.765 -0.872 1
1 252 . 14 1 1 A 47 47 ASP H H 47 7.863 8.900 -1.037 1
1 253 . 14 1 1 A 47 47 ASP HA H 47 3.940 4.632 -0.692 1
1 256 . 14 1 1 A 48 48 ASN H H 48 7.316 8.116 -0.800 1
1 257 . 14 1 1 A 48 48 ASN HA H 48 4.186 4.726 -0.540 1
1 262 . 14 1 1 A 49 49 HIS H H 49 6.197 7.667 -1.470 1
1 263 . 14 1 1 A 49 49 HIS HA H 49 1.562 4.675 -3.113 1
1 269 . 14 1 1 A 50 50 LYS H H 50 7.161 8.061 -0.900 1
1 270 . 14 1 1 A 50 50 LYS HA H 50 3.125 3.947 -0.822 1
1 276 . 14 1 1 A 51 51 PRO HA H 51 3.694 4.182 -0.488 1
1 283 . 14 1 1 A 52 52 HIS H H 52 6.170 7.374 -1.204 1
1 284 . 14 1 1 A 52 52 HIS HA H 52 2.763 4.244 -1.481 1
1 290 . 14 1 1 A 53 53 ASP H H 53 6.870 8.706 -1.836 1
1 291 . 14 1 1 A 53 53 ASP HA H 53 4.033 4.298 -0.265 1
1 294 . 14 1 1 A 54 54 GLY H H 54 8.685 8.739 -0.054 1
1 295 . 14 1 1 A 54 54 GLY HA2 H 54 4.253 4.028 0.225 1
1 296 . 14 1 1 A 54 54 GLY HA3 H 54 3.660 4.041 -0.381 1
1 297 . 14 1 1 A 55 55 LEU H H 55 7.965 7.983 -0.018 1
1 298 . 14 1 1 A 55 55 LEU HA H 55 4.636 4.544 0.092 1
1 307 . 14 1 1 A 56 56 LEU H H 56 7.090 7.784 -0.694 1
1 308 . 14 1 1 A 56 56 LEU HA H 56 4.894 4.871 0.023 1
1 318 . 14 1 1 A 57 57 MET H H 57 9.052 9.637 -0.585 1
1 319 . 14 1 1 A 57 57 MET HA H 57 4.032 4.154 -0.122 1
1 323 . 14 1 1 A 58 58 CYS H H 58 7.800 8.833 -1.033 1
1 324 . 14 1 1 A 58 58 CYS HA H 58 5.550 4.211 1.339 1
1 327 . 14 1 1 A 59 59 ALA H H 59 9.149 8.175 0.974 1
1 328 . 14 1 1 A 59 59 ALA HA H 59 4.072 4.094 -0.022 1
1 332 . 14 1 1 A 60 60 ASP H H 60 7.878 8.219 -0.341 1
1 333 . 14 1 1 A 60 60 ASP HA H 60 4.543 4.282 0.261 1
1 336 . 14 1 1 A 61 61 CYS H H 61 6.557 8.884 -2.327 1
1 337 . 14 1 1 A 61 61 CYS HA H 61 4.728 4.392 0.336 1
1 340 . 14 1 1 A 62 62 HIS H H 62 7.267 8.730 -1.463 1
1 341 . 14 1 1 A 62 62 HIS HA H 62 3.031 4.703 -1.672 1
1 347 . 14 1 1 A 63 63 ALA H H 63 7.251 7.354 -0.103 1
1 348 . 14 1 1 A 63 63 ALA HA H 63 4.202 4.079 0.123 1
1 352 . 14 1 1 A 64 64 PRO HA H 64 3.270 4.305 -1.035 1
1 359 . 14 1 1 A 65 65 HIS H H 65 7.148 8.191 -1.043 1
1 360 . 14 1 1 A 65 65 HIS HA H 65 2.937 4.753 -1.816 1
1 366 . 14 1 1 A 66 66 GLU H H 66 7.113 8.437 -1.324 1
1 367 . 14 1 1 A 66 66 GLU HA H 66 3.936 4.510 -0.574 1
1 371 . 14 1 1 A 67 67 ALA H H 67 7.983 8.596 -0.613 1
1 372 . 14 1 1 A 67 67 ALA HA H 67 3.852 4.339 -0.487 1
1 376 . 14 1 1 A 68 68 LYS H H 68 7.981 9.006 -1.025 1
1 377 . 14 1 1 A 68 68 LYS HA H 68 4.293 4.949 -0.656 1
1 382 . 14 1 1 A 69 69 VAL H H 69 7.859 8.253 -0.394 1
1 383 . 14 1 1 A 69 69 VAL HA H 69 3.207 3.333 -0.126 1
1 391 . 14 1 1 A 70 70 GLY H H 70 8.901 8.756 0.145 1
1 392 . 14 1 1 A 70 70 GLY HA2 H 70 4.234 3.855 0.379 1
1 393 . 14 1 1 A 70 70 GLY HA3 H 70 3.817 3.856 -0.039 1
1 394 . 14 1 1 A 71 71 GLU H H 71 7.596 7.694 -0.098 1
1 395 . 14 1 1 A 71 71 GLU HA H 71 4.437 4.739 -0.302 1
1 398 . 14 1 1 A 72 72 LYS H H 72 8.483 8.413 0.070 1
1 399 . 14 1 1 A 72 72 LYS HA H 72 4.571 4.538 0.033 1
1 402 . 14 1 1 A 73 73 PRO HA H 73 4.419 4.409 0.010 1
1 409 . 14 1 1 A 74 74 THR H H 74 8.511 8.253 0.258 1
1 410 . 14 1 1 A 74 74 THR HA H 74 5.336 4.632 0.704 1
1 415 . 14 1 1 A 75 75 CYS H H 75 8.998 9.194 -0.196 1
1 416 . 14 1 1 A 75 75 CYS HA H 75 5.967 4.083 1.884 1
1 419 . 14 1 1 A 76 76 ASP H H 76 8.504 8.244 0.260 1
1 420 . 14 1 1 A 76 76 ASP HA H 76 4.565 4.756 -0.191 1
1 422 . 14 1 1 A 77 77 THR H H 77 7.809 7.412 0.397 1
1 423 . 14 1 1 A 77 77 THR HA H 77 3.983 3.873 0.110 1
1 428 . 14 1 1 A 78 78 CYS H H 78 6.634 8.428 -1.794 1
1 429 . 14 1 1 A 78 78 CYS HA H 78 4.427 4.448 -0.021 1
1 432 . 14 1 1 A 79 79 HIS H H 79 7.043 8.224 -1.181 1
1 433 . 14 1 1 A 79 79 HIS HA H 79 3.437 4.693 -1.256 1
1 439 . 14 1 1 A 80 80 ASP H H 80 7.826 8.685 -0.859 1
1 440 . 14 1 1 A 80 80 ASP HA H 80 4.464 4.767 -0.303 1
1 443 . 14 1 1 A 81 81 ASP H H 81 7.139 8.063 -0.924 1
1 444 . 14 1 1 A 81 81 ASP HA H 81 4.321 4.654 -0.333 1
1 447 . 14 1 1 A 82 82 GLY H H 82 8.545 8.206 0.339 1
1 448 . 14 1 1 A 82 82 GLY HA2 H 82 3.871 3.969 -0.098 1
1 449 . 14 1 1 A 82 82 GLY HA3 H 82 3.534 3.973 -0.439 1
1 450 . 14 1 1 A 83 83 ARG H H 83 6.845 8.086 -1.241 1
1 451 . 14 1 1 A 83 83 ARG HA H 83 4.250 4.249 0.001 1
1 459 . 14 1 1 A 84 84 THR H H 84 8.063 8.567 -0.504 1
1 460 . 14 1 1 A 84 84 THR HA H 84 5.059 5.073 -0.014 1
1 465 . 14 1 1 A 85 85 ALA H H 85 8.904 8.500 0.404 1
1 466 . 14 1 1 A 85 85 ALA HA H 85 4.736 4.392 0.344 1
1 1 . 15 1 1 A 2 2 ASP HA H 2 4.450 4.507 -0.057 1
1 2 . 15 1 1 A 3 3 GLU H H 3 8.214 8.375 -0.161 1
1 3 . 15 1 1 A 3 3 GLU HA H 3 4.213 4.636 -0.423 1
1 8 . 15 1 1 A 4 4 THR H H 4 8.208 8.637 -0.429 1
1 9 . 15 1 1 A 4 4 THR HA H 4 4.367 4.923 -0.556 1
1 14 . 15 1 1 A 5 5 LEU H H 5 8.068 8.478 -0.410 1
1 15 . 15 1 1 A 5 5 LEU HA H 5 3.094 4.210 -1.116 1
1 25 . 15 1 1 A 6 6 ALA H H 6 7.938 7.866 0.072 1
1 26 . 15 1 1 A 6 6 ALA HA H 6 2.662 3.868 -1.206 1
1 30 . 15 1 1 A 7 7 GLU H H 7 6.938 7.948 -1.010 1
1 31 . 15 1 1 A 7 7 GLU HA H 7 3.273 4.141 -0.868 1
1 36 . 15 1 1 A 8 8 PHE H H 8 7.568 8.223 -0.655 1
1 37 . 15 1 1 A 8 8 PHE HA H 8 3.752 4.091 -0.339 1
1 45 . 15 1 1 A 9 9 HIS H H 9 6.505 8.023 -1.518 1
1 46 . 15 1 1 A 9 9 HIS HA H 9 2.781 4.150 -1.369 1
1 52 . 15 1 1 A 10 10 VAL H H 10 8.569 8.549 0.020 1
1 53 . 15 1 1 A 10 10 VAL HA H 10 3.499 3.468 0.031 1
1 61 . 15 1 1 A 11 11 GLU H H 11 7.185 8.539 -1.354 1
1 62 . 15 1 1 A 11 11 GLU HA H 11 3.843 4.021 -0.178 1
1 67 . 15 1 1 A 12 12 MET H H 12 6.578 7.696 -1.118 1
1 68 . 15 1 1 A 12 12 MET HA H 12 4.240 4.437 -0.197 1
1 75 . 15 1 1 A 13 13 GLY H H 13 7.583 8.494 -0.911 1
1 76 . 15 1 1 A 13 13 GLY HA2 H 13 4.459 4.127 0.332 1
1 77 . 15 1 1 A 13 13 GLY HA3 H 13 3.916 4.130 -0.214 1
1 78 . 15 1 1 A 14 14 GLY H H 14 8.818 7.475 1.343 1
1 79 . 15 1 1 A 14 14 GLY HA2 H 14 4.646 4.130 0.516 1
1 80 . 15 1 1 A 14 14 GLY HA3 H 14 4.203 4.132 0.071 1
1 81 . 15 1 1 A 15 15 CYS H H 15 9.211 8.764 0.447 1
1 82 . 15 1 1 A 15 15 CYS HA H 15 5.103 4.450 0.653 1
1 85 . 15 1 1 A 16 16 GLU H H 16 9.687 8.038 1.649 1
1 86 . 15 1 1 A 16 16 GLU HA H 16 4.684 4.764 -0.080 1
1 91 . 15 1 1 A 17 17 ASN H H 17 7.564 7.795 -0.231 1
1 92 . 15 1 1 A 17 17 ASN HA H 17 4.312 4.494 -0.182 1
1 96 . 15 1 1 A 18 18 CYS H H 18 6.420 7.216 -0.796 1
1 97 . 15 1 1 A 18 18 CYS HA H 18 4.663 4.428 0.235 1
1 100 . 15 1 1 A 19 19 HIS H H 19 6.637 7.562 -0.925 1
1 101 . 15 1 1 A 19 19 HIS HA H 19 3.768 5.247 -1.479 1
1 107 . 15 1 1 A 20 20 ALA H H 20 7.669 8.794 -1.125 1
1 108 . 15 1 1 A 20 20 ALA HA H 20 3.596 4.639 -1.043 1
1 112 . 15 1 1 A 21 21 ASP H H 21 9.152 9.439 -0.287 1
1 113 . 15 1 1 A 21 21 ASP HA H 21 4.059 4.304 -0.245 1
1 116 . 15 1 1 A 22 22 GLY H H 22 7.497 8.746 -1.249 1
1 117 . 15 1 1 A 22 22 GLY HA2 H 22 3.774 3.928 -0.154 1
1 118 . 15 1 1 A 22 22 GLY HA3 H 22 2.380 3.945 -1.565 1
1 119 . 15 1 1 A 23 23 GLU H H 23 6.896 7.723 -0.827 1
1 120 . 15 1 1 A 23 23 GLU HA H 23 4.029 4.769 -0.740 1
1 125 . 15 1 1 A 24 24 PRO HA H 24 2.264 4.489 -2.225 1
1 132 . 15 1 1 A 25 25 SER H H 25 8.295 8.578 -0.283 1
1 133 . 15 1 1 A 25 25 SER HA H 25 4.243 4.685 -0.442 1
1 135 . 15 1 1 A 26 26 LYS H H 26 8.813 8.640 0.173 1
1 136 . 15 1 1 A 26 26 LYS HA H 26 4.369 4.643 -0.274 1
1 141 . 15 1 1 A 27 27 ASP H H 27 7.852 7.839 0.013 1
1 142 . 15 1 1 A 27 27 ASP HA H 27 4.833 4.769 0.064 1
1 145 . 15 1 1 A 28 28 GLY H H 28 8.560 7.770 0.790 1
1 146 . 15 1 1 A 28 28 GLY HA2 H 28 4.397 3.984 0.413 1
1 147 . 15 1 1 A 28 28 GLY HA3 H 28 4.177 4.014 0.163 1
1 148 . 15 1 1 A 29 29 ALA H H 29 8.375 8.293 0.082 1
1 149 . 15 1 1 A 29 29 ALA HA H 29 4.391 4.184 0.207 1
1 153 . 15 1 1 A 30 30 TYR H H 30 8.661 8.501 0.160 1
1 154 . 15 1 1 A 30 30 TYR HA H 30 4.014 4.109 -0.095 1
1 160 . 15 1 1 A 31 31 GLU H H 31 9.525 8.218 1.307 1
1 161 . 15 1 1 A 31 31 GLU HA H 31 4.238 3.804 0.434 1
1 164 . 15 1 1 A 32 32 PHE H H 32 8.247 8.550 -0.303 1
1 165 . 15 1 1 A 32 32 PHE HA H 32 5.401 4.037 1.364 1
1 172 . 15 1 1 A 33 33 GLU H H 33 8.353 7.954 0.399 1
1 173 . 15 1 1 A 33 33 GLU HA H 33 3.763 3.672 0.091 1
1 178 . 15 1 1 A 34 34 GLN H H 34 8.408 8.350 0.058 1
1 179 . 15 1 1 A 34 34 GLN HA H 34 4.288 3.930 0.358 1
1 186 . 15 1 1 A 35 35 CYS H H 35 10.043 7.228 2.815 1
1 187 . 15 1 1 A 35 35 CYS HA H 35 5.048 4.672 0.376 1
1 190 . 15 1 1 A 36 36 GLN H H 36 7.667 7.654 0.013 1
1 191 . 15 1 1 A 36 36 GLN HA H 36 4.122 4.626 -0.504 1
1 197 . 15 1 1 A 37 37 SER H H 37 8.069 8.233 -0.164 1
1 198 . 15 1 1 A 37 37 SER HA H 37 4.104 4.743 -0.639 1
1 200 . 15 1 1 A 38 38 CYS H H 38 6.534 8.546 -2.012 1
1 201 . 15 1 1 A 38 38 CYS HA H 38 4.458 4.143 0.315 1
1 204 . 15 1 1 A 39 39 HIS H H 39 7.195 7.859 -0.664 1
1 205 . 15 1 1 A 39 39 HIS HA H 39 3.167 4.671 -1.504 1
1 211 . 15 1 1 A 40 40 GLY H H 40 7.528 7.576 -0.048 1
1 212 . 15 1 1 A 40 40 GLY HA2 H 40 3.838 4.040 -0.202 1
1 213 . 15 1 1 A 40 40 GLY HA3 H 40 3.336 4.055 -0.719 1
1 214 . 15 1 1 A 41 41 SER H H 41 7.364 8.330 -0.966 1
1 215 . 15 1 1 A 41 41 SER HA H 41 4.332 5.115 -0.783 1
1 218 . 15 1 1 A 42 42 LEU H H 42 8.713 9.102 -0.389 1
1 219 . 15 1 1 A 42 42 LEU HA H 42 3.145 4.140 -0.995 1
1 229 . 15 1 1 A 43 43 ALA H H 43 7.277 7.834 -0.557 1
1 230 . 15 1 1 A 43 43 ALA HA H 43 3.522 4.244 -0.722 1
1 234 . 15 1 1 A 44 44 GLU H H 44 6.953 9.049 -2.096 1
1 235 . 15 1 1 A 44 44 GLU HA H 44 4.001 4.545 -0.544 1
1 239 . 15 1 1 A 45 45 MET H H 45 6.301 7.623 -1.322 1
1 240 . 15 1 1 A 45 45 MET HA H 45 3.491 4.769 -1.278 1
1 248 . 15 1 1 A 46 46 ASP H H 46 6.781 8.692 -1.911 1
1 249 . 15 1 1 A 46 46 ASP HA H 46 3.893 4.712 -0.819 1
1 252 . 15 1 1 A 47 47 ASP H H 47 7.863 8.948 -1.085 1
1 253 . 15 1 1 A 47 47 ASP HA H 47 3.940 4.792 -0.852 1
1 256 . 15 1 1 A 48 48 ASN H H 48 7.316 8.079 -0.763 1
1 257 . 15 1 1 A 48 48 ASN HA H 48 4.186 4.778 -0.592 1
1 262 . 15 1 1 A 49 49 HIS H H 49 6.197 7.817 -1.620 1
1 263 . 15 1 1 A 49 49 HIS HA H 49 1.562 4.544 -2.982 1
1 269 . 15 1 1 A 50 50 LYS H H 50 7.161 7.910 -0.749 1
1 270 . 15 1 1 A 50 50 LYS HA H 50 3.125 3.974 -0.849 1
1 276 . 15 1 1 A 51 51 PRO HA H 51 3.694 4.173 -0.479 1
1 283 . 15 1 1 A 52 52 HIS H H 52 6.170 7.363 -1.193 1
1 284 . 15 1 1 A 52 52 HIS HA H 52 2.763 4.248 -1.485 1
1 290 . 15 1 1 A 53 53 ASP H H 53 6.870 8.312 -1.442 1
1 291 . 15 1 1 A 53 53 ASP HA H 53 4.033 4.307 -0.274 1
1 294 . 15 1 1 A 54 54 GLY H H 54 8.685 8.558 0.127 1
1 295 . 15 1 1 A 54 54 GLY HA2 H 54 4.253 4.021 0.232 1
1 296 . 15 1 1 A 54 54 GLY HA3 H 54 3.660 4.058 -0.398 1
1 297 . 15 1 1 A 55 55 LEU H H 55 7.965 8.076 -0.111 1
1 298 . 15 1 1 A 55 55 LEU HA H 55 4.636 4.536 0.100 1
1 307 . 15 1 1 A 56 56 LEU H H 56 7.090 7.675 -0.585 1
1 308 . 15 1 1 A 56 56 LEU HA H 56 4.894 4.736 0.158 1
1 318 . 15 1 1 A 57 57 MET H H 57 9.052 8.613 0.439 1
1 319 . 15 1 1 A 57 57 MET HA H 57 4.032 4.242 -0.210 1
1 323 . 15 1 1 A 58 58 CYS H H 58 7.800 8.836 -1.036 1
1 324 . 15 1 1 A 58 58 CYS HA H 58 5.550 4.172 1.378 1
1 327 . 15 1 1 A 59 59 ALA H H 59 9.149 8.200 0.949 1
1 328 . 15 1 1 A 59 59 ALA HA H 59 4.072 4.101 -0.029 1
1 332 . 15 1 1 A 60 60 ASP H H 60 7.878 8.484 -0.606 1
1 333 . 15 1 1 A 60 60 ASP HA H 60 4.543 4.263 0.280 1
1 336 . 15 1 1 A 61 61 CYS H H 61 6.557 8.839 -2.282 1
1 337 . 15 1 1 A 61 61 CYS HA H 61 4.728 4.346 0.382 1
1 340 . 15 1 1 A 62 62 HIS H H 62 7.267 9.250 -1.983 1
1 341 . 15 1 1 A 62 62 HIS HA H 62 3.031 4.785 -1.754 1
1 347 . 15 1 1 A 63 63 ALA H H 63 7.251 7.503 -0.252 1
1 348 . 15 1 1 A 63 63 ALA HA H 63 4.202 4.079 0.123 1
1 352 . 15 1 1 A 64 64 PRO HA H 64 3.270 4.319 -1.049 1
1 359 . 15 1 1 A 65 65 HIS H H 65 7.148 8.185 -1.037 1
1 360 . 15 1 1 A 65 65 HIS HA H 65 2.937 4.728 -1.791 1
1 366 . 15 1 1 A 66 66 GLU H H 66 7.113 8.290 -1.177 1
1 367 . 15 1 1 A 66 66 GLU HA H 66 3.936 4.395 -0.459 1
1 371 . 15 1 1 A 67 67 ALA H H 67 7.983 8.574 -0.591 1
1 372 . 15 1 1 A 67 67 ALA HA H 67 3.852 4.343 -0.491 1
1 376 . 15 1 1 A 68 68 LYS H H 68 7.981 8.811 -0.830 1
1 377 . 15 1 1 A 68 68 LYS HA H 68 4.293 4.817 -0.524 1
1 382 . 15 1 1 A 69 69 VAL H H 69 7.859 8.395 -0.536 1
1 383 . 15 1 1 A 69 69 VAL HA H 69 3.207 3.375 -0.168 1
1 391 . 15 1 1 A 70 70 GLY H H 70 8.901 8.779 0.122 1
1 392 . 15 1 1 A 70 70 GLY HA2 H 70 4.234 3.851 0.383 1
1 393 . 15 1 1 A 70 70 GLY HA3 H 70 3.817 3.855 -0.038 1
1 394 . 15 1 1 A 71 71 GLU H H 71 7.596 7.780 -0.184 1
1 395 . 15 1 1 A 71 71 GLU HA H 71 4.437 4.670 -0.233 1
1 398 . 15 1 1 A 72 72 LYS H H 72 8.483 8.425 0.058 1
1 399 . 15 1 1 A 72 72 LYS HA H 72 4.571 4.483 0.088 1
1 402 . 15 1 1 A 73 73 PRO HA H 73 4.419 4.459 -0.040 1
1 409 . 15 1 1 A 74 74 THR H H 74 8.511 8.306 0.205 1
1 410 . 15 1 1 A 74 74 THR HA H 74 5.336 4.791 0.545 1
1 415 . 15 1 1 A 75 75 CYS H H 75 8.998 9.198 -0.200 1
1 416 . 15 1 1 A 75 75 CYS HA H 75 5.967 4.147 1.820 1
1 419 . 15 1 1 A 76 76 ASP H H 76 8.504 8.196 0.308 1
1 420 . 15 1 1 A 76 76 ASP HA H 76 4.565 4.857 -0.292 1
1 422 . 15 1 1 A 77 77 THR H H 77 7.809 7.850 -0.041 1
1 423 . 15 1 1 A 77 77 THR HA H 77 3.983 4.329 -0.346 1
1 428 . 15 1 1 A 78 78 CYS H H 78 6.634 8.273 -1.639 1
1 429 . 15 1 1 A 78 78 CYS HA H 78 4.427 4.533 -0.106 1
1 432 . 15 1 1 A 79 79 HIS H H 79 7.043 8.777 -1.734 1
1 433 . 15 1 1 A 79 79 HIS HA H 79 3.437 4.773 -1.336 1
1 439 . 15 1 1 A 80 80 ASP H H 80 7.826 8.977 -1.151 1
1 440 . 15 1 1 A 80 80 ASP HA H 80 4.464 5.000 -0.536 1
1 443 . 15 1 1 A 81 81 ASP H H 81 7.139 8.277 -1.138 1
1 444 . 15 1 1 A 81 81 ASP HA H 81 4.321 4.754 -0.433 1
1 447 . 15 1 1 A 82 82 GLY H H 82 8.545 8.191 0.354 1
1 448 . 15 1 1 A 82 82 GLY HA2 H 82 3.871 3.950 -0.079 1
1 449 . 15 1 1 A 82 82 GLY HA3 H 82 3.534 3.956 -0.422 1
1 450 . 15 1 1 A 83 83 ARG H H 83 6.845 8.049 -1.204 1
1 451 . 15 1 1 A 83 83 ARG HA H 83 4.250 4.218 0.032 1
1 459 . 15 1 1 A 84 84 THR H H 84 8.063 8.522 -0.459 1
1 460 . 15 1 1 A 84 84 THR HA H 84 5.059 5.052 0.007 1
1 465 . 15 1 1 A 85 85 ALA H H 85 8.904 8.473 0.431 1
1 466 . 15 1 1 A 85 85 ALA HA H 85 4.736 4.457 0.279 1
1 1 . 16 1 1 A 2 2 ASP HA H 2 4.450 4.799 -0.349 1
1 2 . 16 1 1 A 3 3 GLU H H 3 8.214 8.549 -0.335 1
1 3 . 16 1 1 A 3 3 GLU HA H 3 4.213 4.729 -0.516 1
1 8 . 16 1 1 A 4 4 THR H H 4 8.208 8.588 -0.380 1
1 9 . 16 1 1 A 4 4 THR HA H 4 4.367 4.618 -0.251 1
1 14 . 16 1 1 A 5 5 LEU H H 5 8.068 8.691 -0.623 1
1 15 . 16 1 1 A 5 5 LEU HA H 5 3.094 4.206 -1.112 1
1 25 . 16 1 1 A 6 6 ALA H H 6 7.938 8.358 -0.420 1
1 26 . 16 1 1 A 6 6 ALA HA H 6 2.662 3.918 -1.256 1
1 30 . 16 1 1 A 7 7 GLU H H 7 6.938 7.695 -0.757 1
1 31 . 16 1 1 A 7 7 GLU HA H 7 3.273 4.058 -0.785 1
1 36 . 16 1 1 A 8 8 PHE H H 8 7.568 8.200 -0.632 1
1 37 . 16 1 1 A 8 8 PHE HA H 8 3.752 4.133 -0.381 1
1 45 . 16 1 1 A 9 9 HIS H H 9 6.505 7.968 -1.463 1
1 46 . 16 1 1 A 9 9 HIS HA H 9 2.781 4.182 -1.401 1
1 52 . 16 1 1 A 10 10 VAL H H 10 8.569 8.493 0.076 1
1 53 . 16 1 1 A 10 10 VAL HA H 10 3.499 3.475 0.024 1
1 61 . 16 1 1 A 11 11 GLU H H 11 7.185 8.573 -1.388 1
1 62 . 16 1 1 A 11 11 GLU HA H 11 3.843 4.048 -0.205 1
1 67 . 16 1 1 A 12 12 MET H H 12 6.578 7.830 -1.252 1
1 68 . 16 1 1 A 12 12 MET HA H 12 4.240 4.429 -0.189 1
1 75 . 16 1 1 A 13 13 GLY H H 13 7.583 8.495 -0.912 1
1 76 . 16 1 1 A 13 13 GLY HA2 H 13 4.459 4.123 0.336 1
1 77 . 16 1 1 A 13 13 GLY HA3 H 13 3.916 4.126 -0.210 1
1 78 . 16 1 1 A 14 14 GLY H H 14 8.818 7.477 1.341 1
1 79 . 16 1 1 A 14 14 GLY HA2 H 14 4.646 4.125 0.521 1
1 80 . 16 1 1 A 14 14 GLY HA3 H 14 4.203 4.126 0.077 1
1 81 . 16 1 1 A 15 15 CYS H H 15 9.211 8.761 0.450 1
1 82 . 16 1 1 A 15 15 CYS HA H 15 5.103 4.446 0.657 1
1 85 . 16 1 1 A 16 16 GLU H H 16 9.687 7.947 1.740 1
1 86 . 16 1 1 A 16 16 GLU HA H 16 4.684 4.774 -0.090 1
1 91 . 16 1 1 A 17 17 ASN H H 17 7.564 7.827 -0.263 1
1 92 . 16 1 1 A 17 17 ASN HA H 17 4.312 4.495 -0.183 1
1 96 . 16 1 1 A 18 18 CYS H H 18 6.420 7.693 -1.273 1
1 97 . 16 1 1 A 18 18 CYS HA H 18 4.663 4.432 0.231 1
1 100 . 16 1 1 A 19 19 HIS H H 19 6.637 7.519 -0.882 1
1 101 . 16 1 1 A 19 19 HIS HA H 19 3.768 5.229 -1.461 1
1 107 . 16 1 1 A 20 20 ALA H H 20 7.669 8.571 -0.902 1
1 108 . 16 1 1 A 20 20 ALA HA H 20 3.596 4.567 -0.971 1
1 112 . 16 1 1 A 21 21 ASP H H 21 9.152 9.510 -0.358 1
1 113 . 16 1 1 A 21 21 ASP HA H 21 4.059 4.370 -0.311 1
1 116 . 16 1 1 A 22 22 GLY H H 22 7.497 8.746 -1.249 1
1 117 . 16 1 1 A 22 22 GLY HA2 H 22 3.774 3.924 -0.150 1
1 118 . 16 1 1 A 22 22 GLY HA3 H 22 2.380 3.946 -1.566 1
1 119 . 16 1 1 A 23 23 GLU H H 23 6.896 7.713 -0.817 1
1 120 . 16 1 1 A 23 23 GLU HA H 23 4.029 4.671 -0.642 1
1 125 . 16 1 1 A 24 24 PRO HA H 24 2.264 4.556 -2.292 1
1 132 . 16 1 1 A 25 25 SER H H 25 8.295 8.383 -0.088 1
1 133 . 16 1 1 A 25 25 SER HA H 25 4.243 4.468 -0.225 1
1 135 . 16 1 1 A 26 26 LYS H H 26 8.813 8.635 0.178 1
1 136 . 16 1 1 A 26 26 LYS HA H 26 4.369 4.585 -0.216 1
1 141 . 16 1 1 A 27 27 ASP H H 27 7.852 8.162 -0.310 1
1 142 . 16 1 1 A 27 27 ASP HA H 27 4.833 4.802 0.031 1
1 145 . 16 1 1 A 28 28 GLY H H 28 8.560 7.919 0.641 1
1 146 . 16 1 1 A 28 28 GLY HA2 H 28 4.397 3.985 0.412 1
1 147 . 16 1 1 A 28 28 GLY HA3 H 28 4.177 4.012 0.165 1
1 148 . 16 1 1 A 29 29 ALA H H 29 8.375 8.292 0.083 1
1 149 . 16 1 1 A 29 29 ALA HA H 29 4.391 4.145 0.246 1
1 153 . 16 1 1 A 30 30 TYR H H 30 8.661 8.835 -0.174 1
1 154 . 16 1 1 A 30 30 TYR HA H 30 4.014 4.008 0.006 1
1 160 . 16 1 1 A 31 31 GLU H H 31 9.525 8.379 1.146 1
1 161 . 16 1 1 A 31 31 GLU HA H 31 4.238 3.853 0.385 1
1 164 . 16 1 1 A 32 32 PHE H H 32 8.247 8.563 -0.316 1
1 165 . 16 1 1 A 32 32 PHE HA H 32 5.401 3.989 1.412 1
1 172 . 16 1 1 A 33 33 GLU H H 33 8.353 8.202 0.151 1
1 173 . 16 1 1 A 33 33 GLU HA H 33 3.763 3.531 0.232 1
1 178 . 16 1 1 A 34 34 GLN H H 34 8.408 8.494 -0.086 1
1 179 . 16 1 1 A 34 34 GLN HA H 34 4.288 3.916 0.372 1
1 186 . 16 1 1 A 35 35 CYS H H 35 10.043 7.681 2.362 1
1 187 . 16 1 1 A 35 35 CYS HA H 35 5.048 4.639 0.409 1
1 190 . 16 1 1 A 36 36 GLN H H 36 7.667 7.555 0.112 1
1 191 . 16 1 1 A 36 36 GLN HA H 36 4.122 4.652 -0.530 1
1 197 . 16 1 1 A 37 37 SER H H 37 8.069 8.489 -0.420 1
1 198 . 16 1 1 A 37 37 SER HA H 37 4.104 4.661 -0.557 1
1 200 . 16 1 1 A 38 38 CYS H H 38 6.534 8.586 -2.052 1
1 201 . 16 1 1 A 38 38 CYS HA H 38 4.458 4.149 0.309 1
1 204 . 16 1 1 A 39 39 HIS H H 39 7.195 7.962 -0.767 1
1 205 . 16 1 1 A 39 39 HIS HA H 39 3.167 4.713 -1.546 1
1 211 . 16 1 1 A 40 40 GLY H H 40 7.528 7.562 -0.034 1
1 212 . 16 1 1 A 40 40 GLY HA2 H 40 3.838 4.044 -0.206 1
1 213 . 16 1 1 A 40 40 GLY HA3 H 40 3.336 4.059 -0.723 1
1 214 . 16 1 1 A 41 41 SER H H 41 7.364 8.361 -0.997 1
1 215 . 16 1 1 A 41 41 SER HA H 41 4.332 5.212 -0.880 1
1 218 . 16 1 1 A 42 42 LEU H H 42 8.713 9.091 -0.378 1
1 219 . 16 1 1 A 42 42 LEU HA H 42 3.145 4.142 -0.997 1
1 229 . 16 1 1 A 43 43 ALA H H 43 7.277 7.776 -0.499 1
1 230 . 16 1 1 A 43 43 ALA HA H 43 3.522 4.248 -0.726 1
1 234 . 16 1 1 A 44 44 GLU H H 44 6.953 9.014 -2.061 1
1 235 . 16 1 1 A 44 44 GLU HA H 44 4.001 4.495 -0.494 1
1 239 . 16 1 1 A 45 45 MET H H 45 6.301 7.643 -1.342 1
1 240 . 16 1 1 A 45 45 MET HA H 45 3.491 4.786 -1.295 1
1 248 . 16 1 1 A 46 46 ASP H H 46 6.781 8.675 -1.894 1
1 249 . 16 1 1 A 46 46 ASP HA H 46 3.893 4.611 -0.718 1
1 252 . 16 1 1 A 47 47 ASP H H 47 7.863 8.723 -0.860 1
1 253 . 16 1 1 A 47 47 ASP HA H 47 3.940 4.543 -0.603 1
1 256 . 16 1 1 A 48 48 ASN H H 48 7.316 8.081 -0.765 1
1 257 . 16 1 1 A 48 48 ASN HA H 48 4.186 4.784 -0.598 1
1 262 . 16 1 1 A 49 49 HIS H H 49 6.197 8.039 -1.842 1
1 263 . 16 1 1 A 49 49 HIS HA H 49 1.562 4.546 -2.984 1
1 269 . 16 1 1 A 50 50 LYS H H 50 7.161 7.915 -0.754 1
1 270 . 16 1 1 A 50 50 LYS HA H 50 3.125 3.960 -0.835 1
1 276 . 16 1 1 A 51 51 PRO HA H 51 3.694 4.172 -0.478 1
1 283 . 16 1 1 A 52 52 HIS H H 52 6.170 7.326 -1.156 1
1 284 . 16 1 1 A 52 52 HIS HA H 52 2.763 4.248 -1.485 1
1 290 . 16 1 1 A 53 53 ASP H H 53 6.870 8.298 -1.428 1
1 291 . 16 1 1 A 53 53 ASP HA H 53 4.033 4.315 -0.282 1
1 294 . 16 1 1 A 54 54 GLY H H 54 8.685 8.587 0.098 1
1 295 . 16 1 1 A 54 54 GLY HA2 H 54 4.253 4.012 0.241 1
1 296 . 16 1 1 A 54 54 GLY HA3 H 54 3.660 4.045 -0.385 1
1 297 . 16 1 1 A 55 55 LEU H H 55 7.965 8.117 -0.152 1
1 298 . 16 1 1 A 55 55 LEU HA H 55 4.636 4.537 0.099 1
1 307 . 16 1 1 A 56 56 LEU H H 56 7.090 7.679 -0.589 1
1 308 . 16 1 1 A 56 56 LEU HA H 56 4.894 4.703 0.191 1
1 318 . 16 1 1 A 57 57 MET H H 57 9.052 8.524 0.528 1
1 319 . 16 1 1 A 57 57 MET HA H 57 4.032 4.137 -0.105 1
1 323 . 16 1 1 A 58 58 CYS H H 58 7.800 8.963 -1.163 1
1 324 . 16 1 1 A 58 58 CYS HA H 58 5.550 4.195 1.355 1
1 327 . 16 1 1 A 59 59 ALA H H 59 9.149 8.222 0.927 1
1 328 . 16 1 1 A 59 59 ALA HA H 59 4.072 4.100 -0.028 1
1 332 . 16 1 1 A 60 60 ASP H H 60 7.878 8.254 -0.376 1
1 333 . 16 1 1 A 60 60 ASP HA H 60 4.543 4.276 0.267 1
1 336 . 16 1 1 A 61 61 CYS H H 61 6.557 9.011 -2.454 1
1 337 . 16 1 1 A 61 61 CYS HA H 61 4.728 4.344 0.384 1
1 340 . 16 1 1 A 62 62 HIS H H 62 7.267 9.097 -1.830 1
1 341 . 16 1 1 A 62 62 HIS HA H 62 3.031 4.813 -1.782 1
1 347 . 16 1 1 A 63 63 ALA H H 63 7.251 7.396 -0.145 1
1 348 . 16 1 1 A 63 63 ALA HA H 63 4.202 4.100 0.102 1
1 352 . 16 1 1 A 64 64 PRO HA H 64 3.270 4.322 -1.052 1
1 359 . 16 1 1 A 65 65 HIS H H 65 7.148 8.319 -1.171 1
1 360 . 16 1 1 A 65 65 HIS HA H 65 2.937 4.691 -1.754 1
1 366 . 16 1 1 A 66 66 GLU H H 66 7.113 8.488 -1.375 1
1 367 . 16 1 1 A 66 66 GLU HA H 66 3.936 4.395 -0.459 1
1 371 . 16 1 1 A 67 67 ALA H H 67 7.983 9.087 -1.104 1
1 372 . 16 1 1 A 67 67 ALA HA H 67 3.852 4.343 -0.491 1
1 376 . 16 1 1 A 68 68 LYS H H 68 7.981 8.648 -0.667 1
1 377 . 16 1 1 A 68 68 LYS HA H 68 4.293 4.760 -0.467 1
1 382 . 16 1 1 A 69 69 VAL H H 69 7.859 8.267 -0.408 1
1 383 . 16 1 1 A 69 69 VAL HA H 69 3.207 3.374 -0.167 1
1 391 . 16 1 1 A 70 70 GLY H H 70 8.901 8.791 0.110 1
1 392 . 16 1 1 A 70 70 GLY HA2 H 70 4.234 3.868 0.366 1
1 393 . 16 1 1 A 70 70 GLY HA3 H 70 3.817 3.870 -0.053 1
1 394 . 16 1 1 A 71 71 GLU H H 71 7.596 8.041 -0.445 1
1 395 . 16 1 1 A 71 71 GLU HA H 71 4.437 4.563 -0.126 1
1 398 . 16 1 1 A 72 72 LYS H H 72 8.483 8.474 0.009 1
1 399 . 16 1 1 A 72 72 LYS HA H 72 4.571 4.521 0.050 1
1 402 . 16 1 1 A 73 73 PRO HA H 73 4.419 4.474 -0.055 1
1 409 . 16 1 1 A 74 74 THR H H 74 8.511 8.260 0.251 1
1 410 . 16 1 1 A 74 74 THR HA H 74 5.336 4.751 0.585 1
1 415 . 16 1 1 A 75 75 CYS H H 75 8.998 9.207 -0.209 1
1 416 . 16 1 1 A 75 75 CYS HA H 75 5.967 4.101 1.866 1
1 419 . 16 1 1 A 76 76 ASP H H 76 8.504 8.282 0.222 1
1 420 . 16 1 1 A 76 76 ASP HA H 76 4.565 4.732 -0.167 1
1 422 . 16 1 1 A 77 77 THR H H 77 7.809 7.559 0.250 1
1 423 . 16 1 1 A 77 77 THR HA H 77 3.983 3.818 0.165 1
1 428 . 16 1 1 A 78 78 CYS H H 78 6.634 8.536 -1.902 1
1 429 . 16 1 1 A 78 78 CYS HA H 78 4.427 4.455 -0.028 1
1 432 . 16 1 1 A 79 79 HIS H H 79 7.043 8.265 -1.222 1
1 433 . 16 1 1 A 79 79 HIS HA H 79 3.437 4.716 -1.279 1
1 439 . 16 1 1 A 80 80 ASP H H 80 7.826 8.649 -0.823 1
1 440 . 16 1 1 A 80 80 ASP HA H 80 4.464 4.684 -0.220 1
1 443 . 16 1 1 A 81 81 ASP H H 81 7.139 8.062 -0.923 1
1 444 . 16 1 1 A 81 81 ASP HA H 81 4.321 4.654 -0.333 1
1 447 . 16 1 1 A 82 82 GLY H H 82 8.545 8.234 0.311 1
1 448 . 16 1 1 A 82 82 GLY HA2 H 82 3.871 3.961 -0.090 1
1 449 . 16 1 1 A 82 82 GLY HA3 H 82 3.534 3.965 -0.431 1
1 450 . 16 1 1 A 83 83 ARG H H 83 6.845 7.955 -1.110 1
1 451 . 16 1 1 A 83 83 ARG HA H 83 4.250 4.273 -0.023 1
1 459 . 16 1 1 A 84 84 THR H H 84 8.063 8.592 -0.529 1
1 460 . 16 1 1 A 84 84 THR HA H 84 5.059 5.137 -0.078 1
1 465 . 16 1 1 A 85 85 ALA H H 85 8.904 8.546 0.358 1
1 466 . 16 1 1 A 85 85 ALA HA H 85 4.736 4.466 0.270 1
1 1 . 17 1 1 A 2 2 ASP HA H 2 4.450 4.800 -0.350 1
1 2 . 17 1 1 A 3 3 GLU H H 3 8.214 8.610 -0.396 1
1 3 . 17 1 1 A 3 3 GLU HA H 3 4.213 4.578 -0.365 1
1 8 . 17 1 1 A 4 4 THR H H 4 8.208 8.650 -0.442 1
1 9 . 17 1 1 A 4 4 THR HA H 4 4.367 5.027 -0.660 1
1 14 . 17 1 1 A 5 5 LEU H H 5 8.068 8.420 -0.352 1
1 15 . 17 1 1 A 5 5 LEU HA H 5 3.094 4.205 -1.111 1
1 25 . 17 1 1 A 6 6 ALA H H 6 7.938 7.907 0.031 1
1 26 . 17 1 1 A 6 6 ALA HA H 6 2.662 3.860 -1.198 1
1 30 . 17 1 1 A 7 7 GLU H H 7 6.938 7.962 -1.024 1
1 31 . 17 1 1 A 7 7 GLU HA H 7 3.273 4.116 -0.843 1
1 36 . 17 1 1 A 8 8 PHE H H 8 7.568 8.141 -0.573 1
1 37 . 17 1 1 A 8 8 PHE HA H 8 3.752 4.090 -0.338 1
1 45 . 17 1 1 A 9 9 HIS H H 9 6.505 8.028 -1.523 1
1 46 . 17 1 1 A 9 9 HIS HA H 9 2.781 4.182 -1.401 1
1 52 . 17 1 1 A 10 10 VAL H H 10 8.569 8.588 -0.019 1
1 53 . 17 1 1 A 10 10 VAL HA H 10 3.499 3.462 0.037 1
1 61 . 17 1 1 A 11 11 GLU H H 11 7.185 8.512 -1.327 1
1 62 . 17 1 1 A 11 11 GLU HA H 11 3.843 4.045 -0.202 1
1 67 . 17 1 1 A 12 12 MET H H 12 6.578 7.671 -1.093 1
1 68 . 17 1 1 A 12 12 MET HA H 12 4.240 4.436 -0.196 1
1 75 . 17 1 1 A 13 13 GLY H H 13 7.583 8.361 -0.778 1
1 76 . 17 1 1 A 13 13 GLY HA2 H 13 4.459 4.129 0.330 1
1 77 . 17 1 1 A 13 13 GLY HA3 H 13 3.916 4.133 -0.217 1
1 78 . 17 1 1 A 14 14 GLY H H 14 8.818 7.477 1.341 1
1 79 . 17 1 1 A 14 14 GLY HA2 H 14 4.646 4.131 0.515 1
1 80 . 17 1 1 A 14 14 GLY HA3 H 14 4.203 4.132 0.071 1
1 81 . 17 1 1 A 15 15 CYS H H 15 9.211 8.762 0.449 1
1 82 . 17 1 1 A 15 15 CYS HA H 15 5.103 4.447 0.656 1
1 85 . 17 1 1 A 16 16 GLU H H 16 9.687 8.038 1.649 1
1 86 . 17 1 1 A 16 16 GLU HA H 16 4.684 4.800 -0.116 1
1 91 . 17 1 1 A 17 17 ASN H H 17 7.564 7.814 -0.250 1
1 92 . 17 1 1 A 17 17 ASN HA H 17 4.312 4.498 -0.186 1
1 96 . 17 1 1 A 18 18 CYS H H 18 6.420 7.694 -1.274 1
1 97 . 17 1 1 A 18 18 CYS HA H 18 4.663 4.441 0.222 1
1 100 . 17 1 1 A 19 19 HIS H H 19 6.637 7.490 -0.853 1
1 101 . 17 1 1 A 19 19 HIS HA H 19 3.768 5.238 -1.470 1
1 107 . 17 1 1 A 20 20 ALA H H 20 7.669 8.584 -0.915 1
1 108 . 17 1 1 A 20 20 ALA HA H 20 3.596 4.438 -0.842 1
1 112 . 17 1 1 A 21 21 ASP H H 21 9.152 9.424 -0.272 1
1 113 . 17 1 1 A 21 21 ASP HA H 21 4.059 4.305 -0.246 1
1 116 . 17 1 1 A 22 22 GLY H H 22 7.497 8.745 -1.248 1
1 117 . 17 1 1 A 22 22 GLY HA2 H 22 3.774 3.925 -0.151 1
1 118 . 17 1 1 A 22 22 GLY HA3 H 22 2.380 3.946 -1.566 1
1 119 . 17 1 1 A 23 23 GLU H H 23 6.896 7.794 -0.898 1
1 120 . 17 1 1 A 23 23 GLU HA H 23 4.029 4.776 -0.747 1
1 125 . 17 1 1 A 24 24 PRO HA H 24 2.264 4.494 -2.230 1
1 132 . 17 1 1 A 25 25 SER H H 25 8.295 8.574 -0.279 1
1 133 . 17 1 1 A 25 25 SER HA H 25 4.243 4.622 -0.379 1
1 135 . 17 1 1 A 26 26 LYS H H 26 8.813 8.667 0.146 1
1 136 . 17 1 1 A 26 26 LYS HA H 26 4.369 4.728 -0.359 1
1 141 . 17 1 1 A 27 27 ASP H H 27 7.852 8.246 -0.394 1
1 142 . 17 1 1 A 27 27 ASP HA H 27 4.833 4.800 0.033 1
1 145 . 17 1 1 A 28 28 GLY H H 28 8.560 7.927 0.633 1
1 146 . 17 1 1 A 28 28 GLY HA2 H 28 4.397 3.965 0.432 1
1 147 . 17 1 1 A 28 28 GLY HA3 H 28 4.177 3.987 0.190 1
1 148 . 17 1 1 A 29 29 ALA H H 29 8.375 8.301 0.074 1
1 149 . 17 1 1 A 29 29 ALA HA H 29 4.391 4.170 0.221 1
1 153 . 17 1 1 A 30 30 TYR H H 30 8.661 8.588 0.073 1
1 154 . 17 1 1 A 30 30 TYR HA H 30 4.014 4.041 -0.027 1
1 160 . 17 1 1 A 31 31 GLU H H 31 9.525 8.517 1.008 1
1 161 . 17 1 1 A 31 31 GLU HA H 31 4.238 3.876 0.362 1
1 164 . 17 1 1 A 32 32 PHE H H 32 8.247 8.755 -0.508 1
1 165 . 17 1 1 A 32 32 PHE HA H 32 5.401 3.990 1.411 1
1 172 . 17 1 1 A 33 33 GLU H H 33 8.353 8.194 0.159 1
1 173 . 17 1 1 A 33 33 GLU HA H 33 3.763 3.555 0.208 1
1 178 . 17 1 1 A 34 34 GLN H H 34 8.408 8.506 -0.098 1
1 179 . 17 1 1 A 34 34 GLN HA H 34 4.288 3.929 0.359 1
1 186 . 17 1 1 A 35 35 CYS H H 35 10.043 7.178 2.865 1
1 187 . 17 1 1 A 35 35 CYS HA H 35 5.048 4.678 0.370 1
1 190 . 17 1 1 A 36 36 GLN H H 36 7.667 7.509 0.158 1
1 191 . 17 1 1 A 36 36 GLN HA H 36 4.122 4.601 -0.479 1
1 197 . 17 1 1 A 37 37 SER H H 37 8.069 8.412 -0.343 1
1 198 . 17 1 1 A 37 37 SER HA H 37 4.104 4.701 -0.597 1
1 200 . 17 1 1 A 38 38 CYS H H 38 6.534 8.596 -2.062 1
1 201 . 17 1 1 A 38 38 CYS HA H 38 4.458 4.156 0.302 1
1 204 . 17 1 1 A 39 39 HIS H H 39 7.195 7.936 -0.741 1
1 205 . 17 1 1 A 39 39 HIS HA H 39 3.167 4.699 -1.532 1
1 211 . 17 1 1 A 40 40 GLY H H 40 7.528 7.575 -0.047 1
1 212 . 17 1 1 A 40 40 GLY HA2 H 40 3.838 4.028 -0.190 1
1 213 . 17 1 1 A 40 40 GLY HA3 H 40 3.336 4.041 -0.705 1
1 214 . 17 1 1 A 41 41 SER H H 41 7.364 8.356 -0.992 1
1 215 . 17 1 1 A 41 41 SER HA H 41 4.332 5.189 -0.857 1
1 218 . 17 1 1 A 42 42 LEU H H 42 8.713 9.145 -0.432 1
1 219 . 17 1 1 A 42 42 LEU HA H 42 3.145 4.106 -0.961 1
1 229 . 17 1 1 A 43 43 ALA H H 43 7.277 7.647 -0.370 1
1 230 . 17 1 1 A 43 43 ALA HA H 43 3.522 4.244 -0.722 1
1 234 . 17 1 1 A 44 44 GLU H H 44 6.953 8.708 -1.755 1
1 235 . 17 1 1 A 44 44 GLU HA H 44 4.001 4.626 -0.625 1
1 239 . 17 1 1 A 45 45 MET H H 45 6.301 7.708 -1.407 1
1 240 . 17 1 1 A 45 45 MET HA H 45 3.491 4.775 -1.284 1
1 248 . 17 1 1 A 46 46 ASP H H 46 6.781 8.623 -1.842 1
1 249 . 17 1 1 A 46 46 ASP HA H 46 3.893 4.734 -0.841 1
1 252 . 17 1 1 A 47 47 ASP H H 47 7.863 8.927 -1.064 1
1 253 . 17 1 1 A 47 47 ASP HA H 47 3.940 4.653 -0.713 1
1 256 . 17 1 1 A 48 48 ASN H H 48 7.316 8.074 -0.758 1
1 257 . 17 1 1 A 48 48 ASN HA H 48 4.186 4.758 -0.572 1
1 262 . 17 1 1 A 49 49 HIS H H 49 6.197 7.879 -1.682 1
1 263 . 17 1 1 A 49 49 HIS HA H 49 1.562 4.538 -2.976 1
1 269 . 17 1 1 A 50 50 LYS H H 50 7.161 8.210 -1.049 1
1 270 . 17 1 1 A 50 50 LYS HA H 50 3.125 4.025 -0.900 1
1 276 . 17 1 1 A 51 51 PRO HA H 51 3.694 4.164 -0.470 1
1 283 . 17 1 1 A 52 52 HIS H H 52 6.170 7.349 -1.179 1
1 284 . 17 1 1 A 52 52 HIS HA H 52 2.763 4.263 -1.500 1
1 290 . 17 1 1 A 53 53 ASP H H 53 6.870 8.488 -1.618 1
1 291 . 17 1 1 A 53 53 ASP HA H 53 4.033 4.388 -0.355 1
1 294 . 17 1 1 A 54 54 GLY H H 54 8.685 8.571 0.114 1
1 295 . 17 1 1 A 54 54 GLY HA2 H 54 4.253 4.000 0.253 1
1 296 . 17 1 1 A 54 54 GLY HA3 H 54 3.660 4.058 -0.398 1
1 297 . 17 1 1 A 55 55 LEU H H 55 7.965 8.047 -0.082 1
1 298 . 17 1 1 A 55 55 LEU HA H 55 4.636 4.528 0.108 1
1 307 . 17 1 1 A 56 56 LEU H H 56 7.090 7.581 -0.491 1
1 308 . 17 1 1 A 56 56 LEU HA H 56 4.894 4.675 0.219 1
1 318 . 17 1 1 A 57 57 MET H H 57 9.052 8.428 0.624 1
1 319 . 17 1 1 A 57 57 MET HA H 57 4.032 4.072 -0.040 1
1 323 . 17 1 1 A 58 58 CYS H H 58 7.800 8.890 -1.090 1
1 324 . 17 1 1 A 58 58 CYS HA H 58 5.550 4.131 1.419 1
1 327 . 17 1 1 A 59 59 ALA H H 59 9.149 8.200 0.949 1
1 328 . 17 1 1 A 59 59 ALA HA H 59 4.072 4.074 -0.002 1
1 332 . 17 1 1 A 60 60 ASP H H 60 7.878 8.431 -0.553 1
1 333 . 17 1 1 A 60 60 ASP HA H 60 4.543 4.270 0.273 1
1 336 . 17 1 1 A 61 61 CYS H H 61 6.557 9.214 -2.657 1
1 337 . 17 1 1 A 61 61 CYS HA H 61 4.728 4.421 0.307 1
1 340 . 17 1 1 A 62 62 HIS H H 62 7.267 8.499 -1.232 1
1 341 . 17 1 1 A 62 62 HIS HA H 62 3.031 4.708 -1.677 1
1 347 . 17 1 1 A 63 63 ALA H H 63 7.251 7.367 -0.116 1
1 348 . 17 1 1 A 63 63 ALA HA H 63 4.202 4.112 0.090 1
1 352 . 17 1 1 A 64 64 PRO HA H 64 3.270 4.305 -1.035 1
1 359 . 17 1 1 A 65 65 HIS H H 65 7.148 8.211 -1.063 1
1 360 . 17 1 1 A 65 65 HIS HA H 65 2.937 4.721 -1.784 1
1 366 . 17 1 1 A 66 66 GLU H H 66 7.113 8.432 -1.319 1
1 367 . 17 1 1 A 66 66 GLU HA H 66 3.936 4.394 -0.458 1
1 371 . 17 1 1 A 67 67 ALA H H 67 7.983 8.687 -0.704 1
1 372 . 17 1 1 A 67 67 ALA HA H 67 3.852 4.375 -0.523 1
1 376 . 17 1 1 A 68 68 LYS H H 68 7.981 8.749 -0.768 1
1 377 . 17 1 1 A 68 68 LYS HA H 68 4.293 5.021 -0.728 1
1 382 . 17 1 1 A 69 69 VAL H H 69 7.859 8.286 -0.427 1
1 383 . 17 1 1 A 69 69 VAL HA H 69 3.207 3.356 -0.149 1
1 391 . 17 1 1 A 70 70 GLY H H 70 8.901 8.692 0.209 1
1 392 . 17 1 1 A 70 70 GLY HA2 H 70 4.234 3.824 0.410 1
1 393 . 17 1 1 A 70 70 GLY HA3 H 70 3.817 3.825 -0.008 1
1 394 . 17 1 1 A 71 71 GLU H H 71 7.596 7.765 -0.169 1
1 395 . 17 1 1 A 71 71 GLU HA H 71 4.437 4.641 -0.204 1
1 398 . 17 1 1 A 72 72 LYS H H 72 8.483 8.539 -0.056 1
1 399 . 17 1 1 A 72 72 LYS HA H 72 4.571 5.006 -0.435 1
1 402 . 17 1 1 A 73 73 PRO HA H 73 4.419 4.323 0.096 1
1 409 . 17 1 1 A 74 74 THR H H 74 8.511 8.089 0.422 1
1 410 . 17 1 1 A 74 74 THR HA H 74 5.336 4.581 0.755 1
1 415 . 17 1 1 A 75 75 CYS H H 75 8.998 8.996 0.002 1
1 416 . 17 1 1 A 75 75 CYS HA H 75 5.967 4.092 1.875 1
1 419 . 17 1 1 A 76 76 ASP H H 76 8.504 8.262 0.242 1
1 420 . 17 1 1 A 76 76 ASP HA H 76 4.565 4.733 -0.168 1
1 422 . 17 1 1 A 77 77 THR H H 77 7.809 7.496 0.313 1
1 423 . 17 1 1 A 77 77 THR HA H 77 3.983 3.823 0.160 1
1 428 . 17 1 1 A 78 78 CYS H H 78 6.634 8.491 -1.857 1
1 429 . 17 1 1 A 78 78 CYS HA H 78 4.427 4.452 -0.025 1
1 432 . 17 1 1 A 79 79 HIS H H 79 7.043 8.333 -1.290 1
1 433 . 17 1 1 A 79 79 HIS HA H 79 3.437 4.739 -1.302 1
1 439 . 17 1 1 A 80 80 ASP H H 80 7.826 8.648 -0.822 1
1 440 . 17 1 1 A 80 80 ASP HA H 80 4.464 4.660 -0.196 1
1 443 . 17 1 1 A 81 81 ASP H H 81 7.139 8.053 -0.914 1
1 444 . 17 1 1 A 81 81 ASP HA H 81 4.321 4.652 -0.331 1
1 447 . 17 1 1 A 82 82 GLY H H 82 8.545 8.186 0.359 1
1 448 . 17 1 1 A 82 82 GLY HA2 H 82 3.871 3.968 -0.097 1
1 449 . 17 1 1 A 82 82 GLY HA3 H 82 3.534 3.972 -0.438 1
1 450 . 17 1 1 A 83 83 ARG H H 83 6.845 7.997 -1.152 1
1 451 . 17 1 1 A 83 83 ARG HA H 83 4.250 4.259 -0.009 1
1 459 . 17 1 1 A 84 84 THR H H 84 8.063 8.596 -0.533 1
1 460 . 17 1 1 A 84 84 THR HA H 84 5.059 5.035 0.024 1
1 465 . 17 1 1 A 85 85 ALA H H 85 8.904 8.480 0.424 1
1 466 . 17 1 1 A 85 85 ALA HA H 85 4.736 4.408 0.328 1
1 1 . 18 1 1 A 2 2 ASP HA H 2 4.450 4.441 0.009 1
1 2 . 18 1 1 A 3 3 GLU H H 3 8.214 8.548 -0.334 1
1 3 . 18 1 1 A 3 3 GLU HA H 3 4.213 4.912 -0.699 1
1 8 . 18 1 1 A 4 4 THR H H 4 8.208 8.869 -0.661 1
1 9 . 18 1 1 A 4 4 THR HA H 4 4.367 4.740 -0.373 1
1 14 . 18 1 1 A 5 5 LEU H H 5 8.068 8.676 -0.608 1
1 15 . 18 1 1 A 5 5 LEU HA H 5 3.094 4.202 -1.108 1
1 25 . 18 1 1 A 6 6 ALA H H 6 7.938 8.342 -0.404 1
1 26 . 18 1 1 A 6 6 ALA HA H 6 2.662 3.928 -1.266 1
1 30 . 18 1 1 A 7 7 GLU H H 7 6.938 7.604 -0.666 1
1 31 . 18 1 1 A 7 7 GLU HA H 7 3.273 4.071 -0.798 1
1 36 . 18 1 1 A 8 8 PHE H H 8 7.568 8.298 -0.730 1
1 37 . 18 1 1 A 8 8 PHE HA H 8 3.752 4.107 -0.355 1
1 45 . 18 1 1 A 9 9 HIS H H 9 6.505 8.089 -1.584 1
1 46 . 18 1 1 A 9 9 HIS HA H 9 2.781 4.213 -1.432 1
1 52 . 18 1 1 A 10 10 VAL H H 10 8.569 8.369 0.200 1
1 53 . 18 1 1 A 10 10 VAL HA H 10 3.499 3.463 0.036 1
1 61 . 18 1 1 A 11 11 GLU H H 11 7.185 8.543 -1.358 1
1 62 . 18 1 1 A 11 11 GLU HA H 11 3.843 4.018 -0.175 1
1 67 . 18 1 1 A 12 12 MET H H 12 6.578 7.881 -1.303 1
1 68 . 18 1 1 A 12 12 MET HA H 12 4.240 4.482 -0.242 1
1 75 . 18 1 1 A 13 13 GLY H H 13 7.583 8.512 -0.929 1
1 76 . 18 1 1 A 13 13 GLY HA2 H 13 4.459 4.132 0.327 1
1 77 . 18 1 1 A 13 13 GLY HA3 H 13 3.916 4.138 -0.222 1
1 78 . 18 1 1 A 14 14 GLY H H 14 8.818 7.479 1.339 1
1 79 . 18 1 1 A 14 14 GLY HA2 H 14 4.646 4.135 0.511 1
1 80 . 18 1 1 A 14 14 GLY HA3 H 14 4.203 4.135 0.068 1
1 81 . 18 1 1 A 15 15 CYS H H 15 9.211 8.771 0.440 1
1 82 . 18 1 1 A 15 15 CYS HA H 15 5.103 4.474 0.629 1
1 85 . 18 1 1 A 16 16 GLU H H 16 9.687 8.070 1.617 1
1 86 . 18 1 1 A 16 16 GLU HA H 16 4.684 4.803 -0.119 1
1 91 . 18 1 1 A 17 17 ASN H H 17 7.564 7.751 -0.187 1
1 92 . 18 1 1 A 17 17 ASN HA H 17 4.312 4.443 -0.131 1
1 96 . 18 1 1 A 18 18 CYS H H 18 6.420 7.814 -1.394 1
1 97 . 18 1 1 A 18 18 CYS HA H 18 4.663 4.492 0.171 1
1 100 . 18 1 1 A 19 19 HIS H H 19 6.637 7.507 -0.870 1
1 101 . 18 1 1 A 19 19 HIS HA H 19 3.768 5.345 -1.577 1
1 107 . 18 1 1 A 20 20 ALA H H 20 7.669 8.727 -1.058 1
1 108 . 18 1 1 A 20 20 ALA HA H 20 3.596 4.567 -0.971 1
1 112 . 18 1 1 A 21 21 ASP H H 21 9.152 9.537 -0.385 1
1 113 . 18 1 1 A 21 21 ASP HA H 21 4.059 4.355 -0.296 1
1 116 . 18 1 1 A 22 22 GLY H H 22 7.497 8.747 -1.250 1
1 117 . 18 1 1 A 22 22 GLY HA2 H 22 3.774 3.925 -0.151 1
1 118 . 18 1 1 A 22 22 GLY HA3 H 22 2.380 3.945 -1.565 1
1 119 . 18 1 1 A 23 23 GLU H H 23 6.896 7.849 -0.953 1
1 120 . 18 1 1 A 23 23 GLU HA H 23 4.029 4.718 -0.689 1
1 125 . 18 1 1 A 24 24 PRO HA H 24 2.264 4.503 -2.239 1
1 132 . 18 1 1 A 25 25 SER H H 25 8.295 8.066 0.229 1
1 133 . 18 1 1 A 25 25 SER HA H 25 4.243 4.611 -0.368 1
1 135 . 18 1 1 A 26 26 LYS H H 26 8.813 8.669 0.144 1
1 136 . 18 1 1 A 26 26 LYS HA H 26 4.369 4.725 -0.356 1
1 141 . 18 1 1 A 27 27 ASP H H 27 7.852 8.148 -0.296 1
1 142 . 18 1 1 A 27 27 ASP HA H 27 4.833 4.772 0.061 1
1 145 . 18 1 1 A 28 28 GLY H H 28 8.560 8.053 0.507 1
1 146 . 18 1 1 A 28 28 GLY HA2 H 28 4.397 3.988 0.409 1
1 147 . 18 1 1 A 28 28 GLY HA3 H 28 4.177 4.019 0.158 1
1 148 . 18 1 1 A 29 29 ALA H H 29 8.375 8.322 0.053 1
1 149 . 18 1 1 A 29 29 ALA HA H 29 4.391 4.176 0.215 1
1 153 . 18 1 1 A 30 30 TYR H H 30 8.661 8.517 0.144 1
1 154 . 18 1 1 A 30 30 TYR HA H 30 4.014 4.063 -0.049 1
1 160 . 18 1 1 A 31 31 GLU H H 31 9.525 8.531 0.994 1
1 161 . 18 1 1 A 31 31 GLU HA H 31 4.238 3.790 0.448 1
1 164 . 18 1 1 A 32 32 PHE H H 32 8.247 8.865 -0.618 1
1 165 . 18 1 1 A 32 32 PHE HA H 32 5.401 4.028 1.373 1
1 172 . 18 1 1 A 33 33 GLU H H 33 8.353 7.916 0.437 1
1 173 . 18 1 1 A 33 33 GLU HA H 33 3.763 3.693 0.070 1
1 178 . 18 1 1 A 34 34 GLN H H 34 8.408 8.275 0.133 1
1 179 . 18 1 1 A 34 34 GLN HA H 34 4.288 3.905 0.383 1
1 186 . 18 1 1 A 35 35 CYS H H 35 10.043 7.139 2.904 1
1 187 . 18 1 1 A 35 35 CYS HA H 35 5.048 4.640 0.408 1
1 190 . 18 1 1 A 36 36 GLN H H 36 7.667 7.355 0.312 1
1 191 . 18 1 1 A 36 36 GLN HA H 36 4.122 4.625 -0.503 1
1 197 . 18 1 1 A 37 37 SER H H 37 8.069 8.226 -0.157 1
1 198 . 18 1 1 A 37 37 SER HA H 37 4.104 4.749 -0.645 1
1 200 . 18 1 1 A 38 38 CYS H H 38 6.534 8.568 -2.034 1
1 201 . 18 1 1 A 38 38 CYS HA H 38 4.458 4.142 0.316 1
1 204 . 18 1 1 A 39 39 HIS H H 39 7.195 7.923 -0.728 1
1 205 . 18 1 1 A 39 39 HIS HA H 39 3.167 4.688 -1.521 1
1 211 . 18 1 1 A 40 40 GLY H H 40 7.528 7.556 -0.028 1
1 212 . 18 1 1 A 40 40 GLY HA2 H 40 3.838 4.049 -0.211 1
1 213 . 18 1 1 A 40 40 GLY HA3 H 40 3.336 4.066 -0.730 1
1 214 . 18 1 1 A 41 41 SER H H 41 7.364 8.353 -0.989 1
1 215 . 18 1 1 A 41 41 SER HA H 41 4.332 5.174 -0.842 1
1 218 . 18 1 1 A 42 42 LEU H H 42 8.713 9.105 -0.392 1
1 219 . 18 1 1 A 42 42 LEU HA H 42 3.145 4.120 -0.975 1
1 229 . 18 1 1 A 43 43 ALA H H 43 7.277 8.168 -0.891 1
1 230 . 18 1 1 A 43 43 ALA HA H 43 3.522 4.218 -0.696 1
1 234 . 18 1 1 A 44 44 GLU H H 44 6.953 8.623 -1.670 1
1 235 . 18 1 1 A 44 44 GLU HA H 44 4.001 4.540 -0.539 1
1 239 . 18 1 1 A 45 45 MET H H 45 6.301 7.768 -1.467 1
1 240 . 18 1 1 A 45 45 MET HA H 45 3.491 4.800 -1.309 1
1 248 . 18 1 1 A 46 46 ASP H H 46 6.781 8.580 -1.799 1
1 249 . 18 1 1 A 46 46 ASP HA H 46 3.893 4.668 -0.775 1
1 252 . 18 1 1 A 47 47 ASP H H 47 7.863 8.933 -1.070 1
1 253 . 18 1 1 A 47 47 ASP HA H 47 3.940 4.636 -0.696 1
1 256 . 18 1 1 A 48 48 ASN H H 48 7.316 8.125 -0.809 1
1 257 . 18 1 1 A 48 48 ASN HA H 48 4.186 4.774 -0.588 1
1 262 . 18 1 1 A 49 49 HIS H H 49 6.197 7.896 -1.699 1
1 263 . 18 1 1 A 49 49 HIS HA H 49 1.562 4.510 -2.948 1
1 269 . 18 1 1 A 50 50 LYS H H 50 7.161 7.907 -0.746 1
1 270 . 18 1 1 A 50 50 LYS HA H 50 3.125 3.981 -0.856 1
1 276 . 18 1 1 A 51 51 PRO HA H 51 3.694 4.171 -0.477 1
1 283 . 18 1 1 A 52 52 HIS H H 52 6.170 7.658 -1.488 1
1 284 . 18 1 1 A 52 52 HIS HA H 52 2.763 4.286 -1.523 1
1 290 . 18 1 1 A 53 53 ASP H H 53 6.870 8.566 -1.696 1
1 291 . 18 1 1 A 53 53 ASP HA H 53 4.033 4.290 -0.257 1
1 294 . 18 1 1 A 54 54 GLY H H 54 8.685 8.661 0.024 1
1 295 . 18 1 1 A 54 54 GLY HA2 H 54 4.253 3.993 0.260 1
1 296 . 18 1 1 A 54 54 GLY HA3 H 54 3.660 4.027 -0.367 1
1 297 . 18 1 1 A 55 55 LEU H H 55 7.965 7.893 0.072 1
1 298 . 18 1 1 A 55 55 LEU HA H 55 4.636 4.523 0.113 1
1 307 . 18 1 1 A 56 56 LEU H H 56 7.090 7.732 -0.642 1
1 308 . 18 1 1 A 56 56 LEU HA H 56 4.894 4.880 0.014 1
1 318 . 18 1 1 A 57 57 MET H H 57 9.052 8.437 0.615 1
1 319 . 18 1 1 A 57 57 MET HA H 57 4.032 4.304 -0.272 1
1 323 . 18 1 1 A 58 58 CYS H H 58 7.800 8.957 -1.157 1
1 324 . 18 1 1 A 58 58 CYS HA H 58 5.550 4.219 1.331 1
1 327 . 18 1 1 A 59 59 ALA H H 59 9.149 8.196 0.953 1
1 328 . 18 1 1 A 59 59 ALA HA H 59 4.072 4.076 -0.004 1
1 332 . 18 1 1 A 60 60 ASP H H 60 7.878 8.272 -0.394 1
1 333 . 18 1 1 A 60 60 ASP HA H 60 4.543 4.299 0.244 1
1 336 . 18 1 1 A 61 61 CYS H H 61 6.557 9.202 -2.645 1
1 337 . 18 1 1 A 61 61 CYS HA H 61 4.728 4.421 0.307 1
1 340 . 18 1 1 A 62 62 HIS H H 62 7.267 8.502 -1.235 1
1 341 . 18 1 1 A 62 62 HIS HA H 62 3.031 4.721 -1.690 1
1 347 . 18 1 1 A 63 63 ALA H H 63 7.251 7.409 -0.158 1
1 348 . 18 1 1 A 63 63 ALA HA H 63 4.202 4.085 0.117 1
1 352 . 18 1 1 A 64 64 PRO HA H 64 3.270 4.324 -1.054 1
1 359 . 18 1 1 A 65 65 HIS H H 65 7.148 8.296 -1.148 1
1 360 . 18 1 1 A 65 65 HIS HA H 65 2.937 4.727 -1.790 1
1 366 . 18 1 1 A 66 66 GLU H H 66 7.113 8.559 -1.446 1
1 367 . 18 1 1 A 66 66 GLU HA H 66 3.936 4.543 -0.607 1
1 371 . 18 1 1 A 67 67 ALA H H 67 7.983 9.056 -1.073 1
1 372 . 18 1 1 A 67 67 ALA HA H 67 3.852 4.343 -0.491 1
1 376 . 18 1 1 A 68 68 LYS H H 68 7.981 8.915 -0.934 1
1 377 . 18 1 1 A 68 68 LYS HA H 68 4.293 4.948 -0.655 1
1 382 . 18 1 1 A 69 69 VAL H H 69 7.859 8.313 -0.454 1
1 383 . 18 1 1 A 69 69 VAL HA H 69 3.207 3.324 -0.117 1
1 391 . 18 1 1 A 70 70 GLY H H 70 8.901 8.725 0.176 1
1 392 . 18 1 1 A 70 70 GLY HA2 H 70 4.234 3.850 0.384 1
1 393 . 18 1 1 A 70 70 GLY HA3 H 70 3.817 3.850 -0.033 1
1 394 . 18 1 1 A 71 71 GLU H H 71 7.596 7.982 -0.386 1
1 395 . 18 1 1 A 71 71 GLU HA H 71 4.437 4.680 -0.243 1
1 398 . 18 1 1 A 72 72 LYS H H 72 8.483 8.829 -0.346 1
1 399 . 18 1 1 A 72 72 LYS HA H 72 4.571 5.006 -0.435 1
1 402 . 18 1 1 A 73 73 PRO HA H 73 4.419 4.459 -0.040 1
1 409 . 18 1 1 A 74 74 THR H H 74 8.511 8.228 0.283 1
1 410 . 18 1 1 A 74 74 THR HA H 74 5.336 4.862 0.474 1
1 415 . 18 1 1 A 75 75 CYS H H 75 8.998 9.265 -0.267 1
1 416 . 18 1 1 A 75 75 CYS HA H 75 5.967 4.171 1.796 1
1 419 . 18 1 1 A 76 76 ASP H H 76 8.504 8.310 0.194 1
1 420 . 18 1 1 A 76 76 ASP HA H 76 4.565 4.910 -0.345 1
1 422 . 18 1 1 A 77 77 THR H H 77 7.809 8.140 -0.331 1
1 423 . 18 1 1 A 77 77 THR HA H 77 3.983 4.319 -0.336 1
1 428 . 18 1 1 A 78 78 CYS H H 78 6.634 7.859 -1.225 1
1 429 . 18 1 1 A 78 78 CYS HA H 78 4.427 4.522 -0.095 1
1 432 . 18 1 1 A 79 79 HIS H H 79 7.043 8.873 -1.830 1
1 433 . 18 1 1 A 79 79 HIS HA H 79 3.437 4.812 -1.375 1
1 439 . 18 1 1 A 80 80 ASP H H 80 7.826 8.923 -1.097 1
1 440 . 18 1 1 A 80 80 ASP HA H 80 4.464 5.023 -0.559 1
1 443 . 18 1 1 A 81 81 ASP H H 81 7.139 8.321 -1.182 1
1 444 . 18 1 1 A 81 81 ASP HA H 81 4.321 4.774 -0.453 1
1 447 . 18 1 1 A 82 82 GLY H H 82 8.545 8.165 0.380 1
1 448 . 18 1 1 A 82 82 GLY HA2 H 82 3.871 3.962 -0.091 1
1 449 . 18 1 1 A 82 82 GLY HA3 H 82 3.534 3.969 -0.435 1
1 450 . 18 1 1 A 83 83 ARG H H 83 6.845 8.168 -1.323 1
1 451 . 18 1 1 A 83 83 ARG HA H 83 4.250 4.230 0.020 1
1 459 . 18 1 1 A 84 84 THR H H 84 8.063 8.556 -0.493 1
1 460 . 18 1 1 A 84 84 THR HA H 84 5.059 5.072 -0.013 1
1 465 . 18 1 1 A 85 85 ALA H H 85 8.904 8.502 0.402 1
1 466 . 18 1 1 A 85 85 ALA HA H 85 4.736 4.470 0.266 1
1 1 . 19 1 1 A 2 2 ASP HA H 2 4.450 4.580 -0.130 1
1 2 . 19 1 1 A 3 3 GLU H H 3 8.214 8.596 -0.382 1
1 3 . 19 1 1 A 3 3 GLU HA H 3 4.213 4.215 -0.002 1
1 8 . 19 1 1 A 4 4 THR H H 4 8.208 8.545 -0.337 1
1 9 . 19 1 1 A 4 4 THR HA H 4 4.367 4.704 -0.337 1
1 14 . 19 1 1 A 5 5 LEU H H 5 8.068 8.828 -0.760 1
1 15 . 19 1 1 A 5 5 LEU HA H 5 3.094 4.209 -1.115 1
1 25 . 19 1 1 A 6 6 ALA H H 6 7.938 8.348 -0.410 1
1 26 . 19 1 1 A 6 6 ALA HA H 6 2.662 3.924 -1.262 1
1 30 . 19 1 1 A 7 7 GLU H H 7 6.938 7.777 -0.839 1
1 31 . 19 1 1 A 7 7 GLU HA H 7 3.273 4.112 -0.839 1
1 36 . 19 1 1 A 8 8 PHE H H 8 7.568 8.248 -0.680 1
1 37 . 19 1 1 A 8 8 PHE HA H 8 3.752 4.135 -0.383 1
1 45 . 19 1 1 A 9 9 HIS H H 9 6.505 7.936 -1.431 1
1 46 . 19 1 1 A 9 9 HIS HA H 9 2.781 4.171 -1.390 1
1 52 . 19 1 1 A 10 10 VAL H H 10 8.569 8.511 0.058 1
1 53 . 19 1 1 A 10 10 VAL HA H 10 3.499 3.649 -0.150 1
1 61 . 19 1 1 A 11 11 GLU H H 11 7.185 8.617 -1.432 1
1 62 . 19 1 1 A 11 11 GLU HA H 11 3.843 4.020 -0.177 1
1 67 . 19 1 1 A 12 12 MET H H 12 6.578 7.697 -1.119 1
1 68 . 19 1 1 A 12 12 MET HA H 12 4.240 4.414 -0.174 1
1 75 . 19 1 1 A 13 13 GLY H H 13 7.583 8.487 -0.904 1
1 76 . 19 1 1 A 13 13 GLY HA2 H 13 4.459 4.125 0.334 1
1 77 . 19 1 1 A 13 13 GLY HA3 H 13 3.916 4.127 -0.211 1
1 78 . 19 1 1 A 14 14 GLY H H 14 8.818 7.474 1.344 1
1 79 . 19 1 1 A 14 14 GLY HA2 H 14 4.646 4.129 0.517 1
1 80 . 19 1 1 A 14 14 GLY HA3 H 14 4.203 4.130 0.073 1
1 81 . 19 1 1 A 15 15 CYS H H 15 9.211 8.738 0.473 1
1 82 . 19 1 1 A 15 15 CYS HA H 15 5.103 4.453 0.650 1
1 85 . 19 1 1 A 16 16 GLU H H 16 9.687 8.009 1.678 1
1 86 . 19 1 1 A 16 16 GLU HA H 16 4.684 4.810 -0.126 1
1 91 . 19 1 1 A 17 17 ASN H H 17 7.564 7.947 -0.383 1
1 92 . 19 1 1 A 17 17 ASN HA H 17 4.312 4.548 -0.236 1
1 96 . 19 1 1 A 18 18 CYS H H 18 6.420 7.690 -1.270 1
1 97 . 19 1 1 A 18 18 CYS HA H 18 4.663 4.425 0.238 1
1 100 . 19 1 1 A 19 19 HIS H H 19 6.637 7.490 -0.853 1
1 101 . 19 1 1 A 19 19 HIS HA H 19 3.768 5.233 -1.465 1
1 107 . 19 1 1 A 20 20 ALA H H 20 7.669 8.788 -1.119 1
1 108 . 19 1 1 A 20 20 ALA HA H 20 3.596 4.635 -1.039 1
1 112 . 19 1 1 A 21 21 ASP H H 21 9.152 9.626 -0.474 1
1 113 . 19 1 1 A 21 21 ASP HA H 21 4.059 4.426 -0.367 1
1 116 . 19 1 1 A 22 22 GLY H H 22 7.497 8.747 -1.250 1
1 117 . 19 1 1 A 22 22 GLY HA2 H 22 3.774 3.924 -0.150 1
1 118 . 19 1 1 A 22 22 GLY HA3 H 22 2.380 3.938 -1.558 1
1 119 . 19 1 1 A 23 23 GLU H H 23 6.896 7.935 -1.039 1
1 120 . 19 1 1 A 23 23 GLU HA H 23 4.029 4.779 -0.750 1
1 125 . 19 1 1 A 24 24 PRO HA H 24 2.264 4.510 -2.246 1
1 132 . 19 1 1 A 25 25 SER H H 25 8.295 8.265 0.030 1
1 133 . 19 1 1 A 25 25 SER HA H 25 4.243 4.565 -0.322 1
1 135 . 19 1 1 A 26 26 LYS H H 26 8.813 8.639 0.174 1
1 136 . 19 1 1 A 26 26 LYS HA H 26 4.369 4.685 -0.316 1
1 141 . 19 1 1 A 27 27 ASP H H 27 7.852 8.193 -0.341 1
1 142 . 19 1 1 A 27 27 ASP HA H 27 4.833 4.800 0.033 1
1 145 . 19 1 1 A 28 28 GLY H H 28 8.560 8.009 0.551 1
1 146 . 19 1 1 A 28 28 GLY HA2 H 28 4.397 3.991 0.406 1
1 147 . 19 1 1 A 28 28 GLY HA3 H 28 4.177 4.018 0.159 1
1 148 . 19 1 1 A 29 29 ALA H H 29 8.375 8.301 0.074 1
1 149 . 19 1 1 A 29 29 ALA HA H 29 4.391 4.158 0.233 1
1 153 . 19 1 1 A 30 30 TYR H H 30 8.661 8.590 0.071 1
1 154 . 19 1 1 A 30 30 TYR HA H 30 4.014 4.073 -0.059 1
1 160 . 19 1 1 A 31 31 GLU H H 31 9.525 8.178 1.347 1
1 161 . 19 1 1 A 31 31 GLU HA H 31 4.238 3.832 0.406 1
1 164 . 19 1 1 A 32 32 PHE H H 32 8.247 8.440 -0.193 1
1 165 . 19 1 1 A 32 32 PHE HA H 32 5.401 4.007 1.394 1
1 172 . 19 1 1 A 33 33 GLU H H 33 8.353 8.103 0.250 1
1 173 . 19 1 1 A 33 33 GLU HA H 33 3.763 3.566 0.197 1
1 178 . 19 1 1 A 34 34 GLN H H 34 8.408 8.373 0.035 1
1 179 . 19 1 1 A 34 34 GLN HA H 34 4.288 3.934 0.354 1
1 186 . 19 1 1 A 35 35 CYS H H 35 10.043 7.212 2.831 1
1 187 . 19 1 1 A 35 35 CYS HA H 35 5.048 4.653 0.395 1
1 190 . 19 1 1 A 36 36 GLN H H 36 7.667 7.563 0.104 1
1 191 . 19 1 1 A 36 36 GLN HA H 36 4.122 4.608 -0.486 1
1 197 . 19 1 1 A 37 37 SER H H 37 8.069 8.336 -0.267 1
1 198 . 19 1 1 A 37 37 SER HA H 37 4.104 4.668 -0.564 1
1 200 . 19 1 1 A 38 38 CYS H H 38 6.534 8.579 -2.045 1
1 201 . 19 1 1 A 38 38 CYS HA H 38 4.458 4.154 0.304 1
1 204 . 19 1 1 A 39 39 HIS H H 39 7.195 7.944 -0.749 1
1 205 . 19 1 1 A 39 39 HIS HA H 39 3.167 4.697 -1.530 1
1 211 . 19 1 1 A 40 40 GLY H H 40 7.528 7.585 -0.057 1
1 212 . 19 1 1 A 40 40 GLY HA2 H 40 3.838 4.070 -0.232 1
1 213 . 19 1 1 A 40 40 GLY HA3 H 40 3.336 4.084 -0.748 1
1 214 . 19 1 1 A 41 41 SER H H 41 7.364 8.333 -0.969 1
1 215 . 19 1 1 A 41 41 SER HA H 41 4.332 5.170 -0.838 1
1 218 . 19 1 1 A 42 42 LEU H H 42 8.713 9.079 -0.366 1
1 219 . 19 1 1 A 42 42 LEU HA H 42 3.145 4.110 -0.965 1
1 229 . 19 1 1 A 43 43 ALA H H 43 7.277 7.826 -0.549 1
1 230 . 19 1 1 A 43 43 ALA HA H 43 3.522 4.248 -0.726 1
1 234 . 19 1 1 A 44 44 GLU H H 44 6.953 8.931 -1.978 1
1 235 . 19 1 1 A 44 44 GLU HA H 44 4.001 4.551 -0.550 1
1 239 . 19 1 1 A 45 45 MET H H 45 6.301 7.672 -1.371 1
1 240 . 19 1 1 A 45 45 MET HA H 45 3.491 4.775 -1.284 1
1 248 . 19 1 1 A 46 46 ASP H H 46 6.781 8.641 -1.860 1
1 249 . 19 1 1 A 46 46 ASP HA H 46 3.893 4.711 -0.818 1
1 252 . 19 1 1 A 47 47 ASP H H 47 7.863 8.854 -0.991 1
1 253 . 19 1 1 A 47 47 ASP HA H 47 3.940 4.750 -0.810 1
1 256 . 19 1 1 A 48 48 ASN H H 48 7.316 8.079 -0.763 1
1 257 . 19 1 1 A 48 48 ASN HA H 48 4.186 4.779 -0.593 1
1 262 . 19 1 1 A 49 49 HIS H H 49 6.197 7.889 -1.692 1
1 263 . 19 1 1 A 49 49 HIS HA H 49 1.562 4.528 -2.966 1
1 269 . 19 1 1 A 50 50 LYS H H 50 7.161 8.176 -1.015 1
1 270 . 19 1 1 A 50 50 LYS HA H 50 3.125 4.037 -0.912 1
1 276 . 19 1 1 A 51 51 PRO HA H 51 3.694 4.168 -0.474 1
1 283 . 19 1 1 A 52 52 HIS H H 52 6.170 7.345 -1.175 1
1 284 . 19 1 1 A 52 52 HIS HA H 52 2.763 4.290 -1.527 1
1 290 . 19 1 1 A 53 53 ASP H H 53 6.870 8.291 -1.421 1
1 291 . 19 1 1 A 53 53 ASP HA H 53 4.033 4.296 -0.263 1
1 294 . 19 1 1 A 54 54 GLY H H 54 8.685 8.579 0.106 1
1 295 . 19 1 1 A 54 54 GLY HA2 H 54 4.253 4.017 0.236 1
1 296 . 19 1 1 A 54 54 GLY HA3 H 54 3.660 4.055 -0.395 1
1 297 . 19 1 1 A 55 55 LEU H H 55 7.965 8.110 -0.145 1
1 298 . 19 1 1 A 55 55 LEU HA H 55 4.636 4.541 0.095 1
1 307 . 19 1 1 A 56 56 LEU H H 56 7.090 7.677 -0.587 1
1 308 . 19 1 1 A 56 56 LEU HA H 56 4.894 4.732 0.162 1
1 318 . 19 1 1 A 57 57 MET H H 57 9.052 9.374 -0.322 1
1 319 . 19 1 1 A 57 57 MET HA H 57 4.032 4.252 -0.220 1
1 323 . 19 1 1 A 58 58 CYS H H 58 7.800 8.801 -1.001 1
1 324 . 19 1 1 A 58 58 CYS HA H 58 5.550 4.153 1.397 1
1 327 . 19 1 1 A 59 59 ALA H H 59 9.149 8.159 0.990 1
1 328 . 19 1 1 A 59 59 ALA HA H 59 4.072 4.088 -0.016 1
1 332 . 19 1 1 A 60 60 ASP H H 60 7.878 8.288 -0.410 1
1 333 . 19 1 1 A 60 60 ASP HA H 60 4.543 4.289 0.254 1
1 336 . 19 1 1 A 61 61 CYS H H 61 6.557 8.921 -2.364 1
1 337 . 19 1 1 A 61 61 CYS HA H 61 4.728 4.409 0.319 1
1 340 . 19 1 1 A 62 62 HIS H H 62 7.267 9.333 -2.066 1
1 341 . 19 1 1 A 62 62 HIS HA H 62 3.031 4.811 -1.780 1
1 347 . 19 1 1 A 63 63 ALA H H 63 7.251 7.393 -0.142 1
1 348 . 19 1 1 A 63 63 ALA HA H 63 4.202 4.097 0.105 1
1 352 . 19 1 1 A 64 64 PRO HA H 64 3.270 4.321 -1.051 1
1 359 . 19 1 1 A 65 65 HIS H H 65 7.148 8.316 -1.168 1
1 360 . 19 1 1 A 65 65 HIS HA H 65 2.937 4.670 -1.733 1
1 366 . 19 1 1 A 66 66 GLU H H 66 7.113 8.559 -1.446 1
1 367 . 19 1 1 A 66 66 GLU HA H 66 3.936 4.398 -0.462 1
1 371 . 19 1 1 A 67 67 ALA H H 67 7.983 8.785 -0.802 1
1 372 . 19 1 1 A 67 67 ALA HA H 67 3.852 4.361 -0.509 1
1 376 . 19 1 1 A 68 68 LYS H H 68 7.981 9.049 -1.068 1
1 377 . 19 1 1 A 68 68 LYS HA H 68 4.293 4.997 -0.704 1
1 382 . 19 1 1 A 69 69 VAL H H 69 7.859 8.347 -0.488 1
1 383 . 19 1 1 A 69 69 VAL HA H 69 3.207 3.355 -0.148 1
1 391 . 19 1 1 A 70 70 GLY H H 70 8.901 8.739 0.162 1
1 392 . 19 1 1 A 70 70 GLY HA2 H 70 4.234 3.837 0.397 1
1 393 . 19 1 1 A 70 70 GLY HA3 H 70 3.817 3.839 -0.022 1
1 394 . 19 1 1 A 71 71 GLU H H 71 7.596 7.671 -0.075 1
1 395 . 19 1 1 A 71 71 GLU HA H 71 4.437 4.724 -0.287 1
1 398 . 19 1 1 A 72 72 LYS H H 72 8.483 9.073 -0.590 1
1 399 . 19 1 1 A 72 72 LYS HA H 72 4.571 4.908 -0.337 1
1 402 . 19 1 1 A 73 73 PRO HA H 73 4.419 4.427 -0.008 1
1 409 . 19 1 1 A 74 74 THR H H 74 8.511 8.263 0.248 1
1 410 . 19 1 1 A 74 74 THR HA H 74 5.336 4.740 0.596 1
1 415 . 19 1 1 A 75 75 CYS H H 75 8.998 9.232 -0.234 1
1 416 . 19 1 1 A 75 75 CYS HA H 75 5.967 4.075 1.892 1
1 419 . 19 1 1 A 76 76 ASP H H 76 8.504 8.318 0.186 1
1 420 . 19 1 1 A 76 76 ASP HA H 76 4.565 4.809 -0.244 1
1 422 . 19 1 1 A 77 77 THR H H 77 7.809 7.544 0.265 1
1 423 . 19 1 1 A 77 77 THR HA H 77 3.983 3.893 0.090 1
1 428 . 19 1 1 A 78 78 CYS H H 78 6.634 8.362 -1.728 1
1 429 . 19 1 1 A 78 78 CYS HA H 78 4.427 4.434 -0.007 1
1 432 . 19 1 1 A 79 79 HIS H H 79 7.043 8.256 -1.213 1
1 433 . 19 1 1 A 79 79 HIS HA H 79 3.437 4.732 -1.295 1
1 439 . 19 1 1 A 80 80 ASP H H 80 7.826 8.708 -0.882 1
1 440 . 19 1 1 A 80 80 ASP HA H 80 4.464 4.627 -0.163 1
1 443 . 19 1 1 A 81 81 ASP H H 81 7.139 8.091 -0.952 1
1 444 . 19 1 1 A 81 81 ASP HA H 81 4.321 4.679 -0.358 1
1 447 . 19 1 1 A 82 82 GLY H H 82 8.545 8.220 0.325 1
1 448 . 19 1 1 A 82 82 GLY HA2 H 82 3.871 3.966 -0.095 1
1 449 . 19 1 1 A 82 82 GLY HA3 H 82 3.534 3.970 -0.436 1
1 450 . 19 1 1 A 83 83 ARG H H 83 6.845 8.111 -1.266 1
1 451 . 19 1 1 A 83 83 ARG HA H 83 4.250 4.256 -0.006 1
1 459 . 19 1 1 A 84 84 THR H H 84 8.063 8.608 -0.545 1
1 460 . 19 1 1 A 84 84 THR HA H 84 5.059 5.041 0.018 1
1 465 . 19 1 1 A 85 85 ALA H H 85 8.904 8.594 0.310 1
1 466 . 19 1 1 A 85 85 ALA HA H 85 4.736 4.386 0.350 1
1 1 . 20 1 1 A 2 2 ASP HA H 2 4.450 5.195 -0.745 1
1 2 . 20 1 1 A 3 3 GLU H H 3 8.214 8.503 -0.289 1
1 3 . 20 1 1 A 3 3 GLU HA H 3 4.213 4.222 -0.009 1
1 8 . 20 1 1 A 4 4 THR H H 4 8.208 8.526 -0.318 1
1 9 . 20 1 1 A 4 4 THR HA H 4 4.367 4.764 -0.397 1
1 14 . 20 1 1 A 5 5 LEU H H 5 8.068 8.826 -0.758 1
1 15 . 20 1 1 A 5 5 LEU HA H 5 3.094 4.215 -1.121 1
1 25 . 20 1 1 A 6 6 ALA H H 6 7.938 8.351 -0.413 1
1 26 . 20 1 1 A 6 6 ALA HA H 6 2.662 3.926 -1.264 1
1 30 . 20 1 1 A 7 7 GLU H H 7 6.938 7.965 -1.027 1
1 31 . 20 1 1 A 7 7 GLU HA H 7 3.273 4.115 -0.842 1
1 36 . 20 1 1 A 8 8 PHE H H 8 7.568 8.283 -0.715 1
1 37 . 20 1 1 A 8 8 PHE HA H 8 3.752 4.207 -0.455 1
1 45 . 20 1 1 A 9 9 HIS H H 9 6.505 7.951 -1.446 1
1 46 . 20 1 1 A 9 9 HIS HA H 9 2.781 4.306 -1.525 1
1 52 . 20 1 1 A 10 10 VAL H H 10 8.569 8.094 0.475 1
1 53 . 20 1 1 A 10 10 VAL HA H 10 3.499 3.520 -0.021 1
1 61 . 20 1 1 A 11 11 GLU H H 11 7.185 8.540 -1.355 1
1 62 . 20 1 1 A 11 11 GLU HA H 11 3.843 3.980 -0.137 1
1 67 . 20 1 1 A 12 12 MET H H 12 6.578 7.937 -1.359 1
1 68 . 20 1 1 A 12 12 MET HA H 12 4.240 4.334 -0.094 1
1 75 . 20 1 1 A 13 13 GLY H H 13 7.583 8.682 -1.099 1
1 76 . 20 1 1 A 13 13 GLY HA2 H 13 4.459 4.104 0.355 1
1 77 . 20 1 1 A 13 13 GLY HA3 H 13 3.916 4.107 -0.191 1
1 78 . 20 1 1 A 14 14 GLY H H 14 8.818 7.646 1.172 1
1 79 . 20 1 1 A 14 14 GLY HA2 H 14 4.646 4.162 0.484 1
1 80 . 20 1 1 A 14 14 GLY HA3 H 14 4.203 4.163 0.040 1
1 81 . 20 1 1 A 15 15 CYS H H 15 9.211 8.819 0.392 1
1 82 . 20 1 1 A 15 15 CYS HA H 15 5.103 4.451 0.652 1
1 85 . 20 1 1 A 16 16 GLU H H 16 9.687 8.034 1.653 1
1 86 . 20 1 1 A 16 16 GLU HA H 16 4.684 4.802 -0.118 1
1 91 . 20 1 1 A 17 17 ASN H H 17 7.564 7.830 -0.266 1
1 92 . 20 1 1 A 17 17 ASN HA H 17 4.312 4.550 -0.238 1
1 96 . 20 1 1 A 18 18 CYS H H 18 6.420 7.719 -1.299 1
1 97 . 20 1 1 A 18 18 CYS HA H 18 4.663 4.441 0.222 1
1 100 . 20 1 1 A 19 19 HIS H H 19 6.637 7.598 -0.961 1
1 101 . 20 1 1 A 19 19 HIS HA H 19 3.768 5.310 -1.542 1
1 107 . 20 1 1 A 20 20 ALA H H 20 7.669 8.702 -1.033 1
1 108 . 20 1 1 A 20 20 ALA HA H 20 3.596 4.569 -0.973 1
1 112 . 20 1 1 A 21 21 ASP H H 21 9.152 9.525 -0.373 1
1 113 . 20 1 1 A 21 21 ASP HA H 21 4.059 4.362 -0.303 1
1 116 . 20 1 1 A 22 22 GLY H H 22 7.497 8.754 -1.257 1
1 117 . 20 1 1 A 22 22 GLY HA2 H 22 3.774 3.926 -0.152 1
1 118 . 20 1 1 A 22 22 GLY HA3 H 22 2.380 3.940 -1.560 1
1 119 . 20 1 1 A 23 23 GLU H H 23 6.896 8.016 -1.120 1
1 120 . 20 1 1 A 23 23 GLU HA H 23 4.029 4.765 -0.736 1
1 125 . 20 1 1 A 24 24 PRO HA H 24 2.264 4.531 -2.267 1
1 132 . 20 1 1 A 25 25 SER H H 25 8.295 8.617 -0.322 1
1 133 . 20 1 1 A 25 25 SER HA H 25 4.243 4.564 -0.321 1
1 135 . 20 1 1 A 26 26 LYS H H 26 8.813 8.628 0.185 1
1 136 . 20 1 1 A 26 26 LYS HA H 26 4.369 4.720 -0.351 1
1 141 . 20 1 1 A 27 27 ASP H H 27 7.852 8.229 -0.377 1
1 142 . 20 1 1 A 27 27 ASP HA H 27 4.833 4.773 0.060 1
1 145 . 20 1 1 A 28 28 GLY H H 28 8.560 8.019 0.541 1
1 146 . 20 1 1 A 28 28 GLY HA2 H 28 4.397 3.969 0.428 1
1 147 . 20 1 1 A 28 28 GLY HA3 H 28 4.177 3.997 0.180 1
1 148 . 20 1 1 A 29 29 ALA H H 29 8.375 8.301 0.074 1
1 149 . 20 1 1 A 29 29 ALA HA H 29 4.391 4.171 0.220 1
1 153 . 20 1 1 A 30 30 TYR H H 30 8.661 8.387 0.274 1
1 154 . 20 1 1 A 30 30 TYR HA H 30 4.014 4.191 -0.177 1
1 160 . 20 1 1 A 31 31 GLU H H 31 9.525 8.051 1.474 1
1 161 . 20 1 1 A 31 31 GLU HA H 31 4.238 3.847 0.391 1
1 164 . 20 1 1 A 32 32 PHE H H 32 8.247 8.502 -0.255 1
1 165 . 20 1 1 A 32 32 PHE HA H 32 5.401 3.998 1.403 1
1 172 . 20 1 1 A 33 33 GLU H H 33 8.353 7.983 0.370 1
1 173 . 20 1 1 A 33 33 GLU HA H 33 3.763 3.684 0.079 1
1 178 . 20 1 1 A 34 34 GLN H H 34 8.408 8.369 0.039 1
1 179 . 20 1 1 A 34 34 GLN HA H 34 4.288 3.940 0.348 1
1 186 . 20 1 1 A 35 35 CYS H H 35 10.043 7.327 2.716 1
1 187 . 20 1 1 A 35 35 CYS HA H 35 5.048 4.691 0.357 1
1 190 . 20 1 1 A 36 36 GLN H H 36 7.667 7.562 0.105 1
1 191 . 20 1 1 A 36 36 GLN HA H 36 4.122 4.720 -0.598 1
1 197 . 20 1 1 A 37 37 SER H H 37 8.069 8.188 -0.119 1
1 198 . 20 1 1 A 37 37 SER HA H 37 4.104 4.746 -0.642 1
1 200 . 20 1 1 A 38 38 CYS H H 38 6.534 8.584 -2.050 1
1 201 . 20 1 1 A 38 38 CYS HA H 38 4.458 4.167 0.291 1
1 204 . 20 1 1 A 39 39 HIS H H 39 7.195 7.959 -0.764 1
1 205 . 20 1 1 A 39 39 HIS HA H 39 3.167 4.723 -1.556 1
1 211 . 20 1 1 A 40 40 GLY H H 40 7.528 7.592 -0.064 1
1 212 . 20 1 1 A 40 40 GLY HA2 H 40 3.838 4.078 -0.240 1
1 213 . 20 1 1 A 40 40 GLY HA3 H 40 3.336 4.093 -0.757 1
1 214 . 20 1 1 A 41 41 SER H H 41 7.364 8.490 -1.126 1
1 215 . 20 1 1 A 41 41 SER HA H 41 4.332 5.225 -0.893 1
1 218 . 20 1 1 A 42 42 LEU H H 42 8.713 9.153 -0.440 1
1 219 . 20 1 1 A 42 42 LEU HA H 42 3.145 4.199 -1.054 1
1 229 . 20 1 1 A 43 43 ALA H H 43 7.277 7.896 -0.619 1
1 230 . 20 1 1 A 43 43 ALA HA H 43 3.522 4.297 -0.775 1
1 234 . 20 1 1 A 44 44 GLU H H 44 6.953 8.625 -1.672 1
1 235 . 20 1 1 A 44 44 GLU HA H 44 4.001 4.591 -0.590 1
1 239 . 20 1 1 A 45 45 MET H H 45 6.301 7.599 -1.298 1
1 240 . 20 1 1 A 45 45 MET HA H 45 3.491 4.817 -1.326 1
1 248 . 20 1 1 A 46 46 ASP H H 46 6.781 8.538 -1.757 1
1 249 . 20 1 1 A 46 46 ASP HA H 46 3.893 4.729 -0.836 1
1 252 . 20 1 1 A 47 47 ASP H H 47 7.863 8.781 -0.918 1
1 253 . 20 1 1 A 47 47 ASP HA H 47 3.940 4.697 -0.757 1
1 256 . 20 1 1 A 48 48 ASN H H 48 7.316 8.075 -0.759 1
1 257 . 20 1 1 A 48 48 ASN HA H 48 4.186 4.761 -0.575 1
1 262 . 20 1 1 A 49 49 HIS H H 49 6.197 7.993 -1.796 1
1 263 . 20 1 1 A 49 49 HIS HA H 49 1.562 4.503 -2.941 1
1 269 . 20 1 1 A 50 50 LYS H H 50 7.161 7.907 -0.746 1
1 270 . 20 1 1 A 50 50 LYS HA H 50 3.125 4.140 -1.015 1
1 276 . 20 1 1 A 51 51 PRO HA H 51 3.694 4.159 -0.465 1
1 283 . 20 1 1 A 52 52 HIS H H 52 6.170 7.550 -1.380 1
1 284 . 20 1 1 A 52 52 HIS HA H 52 2.763 4.227 -1.464 1
1 290 . 20 1 1 A 53 53 ASP H H 53 6.870 8.538 -1.668 1
1 291 . 20 1 1 A 53 53 ASP HA H 53 4.033 4.260 -0.227 1
1 294 . 20 1 1 A 54 54 GLY H H 54 8.685 8.771 -0.086 1
1 295 . 20 1 1 A 54 54 GLY HA2 H 54 4.253 3.995 0.258 1
1 296 . 20 1 1 A 54 54 GLY HA3 H 54 3.660 4.020 -0.360 1
1 297 . 20 1 1 A 55 55 LEU H H 55 7.965 7.875 0.090 1
1 298 . 20 1 1 A 55 55 LEU HA H 55 4.636 4.517 0.119 1
1 307 . 20 1 1 A 56 56 LEU H H 56 7.090 7.748 -0.658 1
1 308 . 20 1 1 A 56 56 LEU HA H 56 4.894 4.914 -0.020 1
1 318 . 20 1 1 A 57 57 MET H H 57 9.052 8.679 0.373 1
1 319 . 20 1 1 A 57 57 MET HA H 57 4.032 4.232 -0.200 1
1 323 . 20 1 1 A 58 58 CYS H H 58 7.800 8.795 -0.995 1
1 324 . 20 1 1 A 58 58 CYS HA H 58 5.550 4.155 1.395 1
1 327 . 20 1 1 A 59 59 ALA H H 59 9.149 8.180 0.969 1
1 328 . 20 1 1 A 59 59 ALA HA H 59 4.072 4.068 0.004 1
1 332 . 20 1 1 A 60 60 ASP H H 60 7.878 8.242 -0.364 1
1 333 . 20 1 1 A 60 60 ASP HA H 60 4.543 4.290 0.253 1
1 336 . 20 1 1 A 61 61 CYS H H 61 6.557 9.189 -2.632 1
1 337 . 20 1 1 A 61 61 CYS HA H 61 4.728 4.409 0.319 1
1 340 . 20 1 1 A 62 62 HIS H H 62 7.267 8.770 -1.503 1
1 341 . 20 1 1 A 62 62 HIS HA H 62 3.031 4.707 -1.676 1
1 347 . 20 1 1 A 63 63 ALA H H 63 7.251 7.210 0.041 1
1 348 . 20 1 1 A 63 63 ALA HA H 63 4.202 4.082 0.120 1
1 352 . 20 1 1 A 64 64 PRO HA H 64 3.270 4.324 -1.054 1
1 359 . 20 1 1 A 65 65 HIS H H 65 7.148 8.191 -1.043 1
1 360 . 20 1 1 A 65 65 HIS HA H 65 2.937 4.697 -1.760 1
1 366 . 20 1 1 A 66 66 GLU H H 66 7.113 8.482 -1.369 1
1 367 . 20 1 1 A 66 66 GLU HA H 66 3.936 4.405 -0.469 1
1 371 . 20 1 1 A 67 67 ALA H H 67 7.983 8.486 -0.503 1
1 372 . 20 1 1 A 67 67 ALA HA H 67 3.852 4.351 -0.499 1
1 376 . 20 1 1 A 68 68 LYS H H 68 7.981 8.678 -0.697 1
1 377 . 20 1 1 A 68 68 LYS HA H 68 4.293 4.861 -0.568 1
1 382 . 20 1 1 A 69 69 VAL H H 69 7.859 8.336 -0.477 1
1 383 . 20 1 1 A 69 69 VAL HA H 69 3.207 3.331 -0.124 1
1 391 . 20 1 1 A 70 70 GLY H H 70 8.901 8.729 0.172 1
1 392 . 20 1 1 A 70 70 GLY HA2 H 70 4.234 3.822 0.412 1
1 393 . 20 1 1 A 70 70 GLY HA3 H 70 3.817 3.827 -0.010 1
1 394 . 20 1 1 A 71 71 GLU H H 71 7.596 8.027 -0.431 1
1 395 . 20 1 1 A 71 71 GLU HA H 71 4.437 4.704 -0.267 1
1 398 . 20 1 1 A 72 72 LYS H H 72 8.483 8.532 -0.049 1
1 399 . 20 1 1 A 72 72 LYS HA H 72 4.571 4.977 -0.406 1
1 402 . 20 1 1 A 73 73 PRO HA H 73 4.419 4.345 0.074 1
1 409 . 20 1 1 A 74 74 THR H H 74 8.511 8.134 0.377 1
1 410 . 20 1 1 A 74 74 THR HA H 74 5.336 4.610 0.726 1
1 415 . 20 1 1 A 75 75 CYS H H 75 8.998 9.094 -0.096 1
1 416 . 20 1 1 A 75 75 CYS HA H 75 5.967 4.090 1.877 1
1 419 . 20 1 1 A 76 76 ASP H H 76 8.504 8.286 0.218 1
1 420 . 20 1 1 A 76 76 ASP HA H 76 4.565 4.769 -0.204 1
1 422 . 20 1 1 A 77 77 THR H H 77 7.809 7.599 0.210 1
1 423 . 20 1 1 A 77 77 THR HA H 77 3.983 3.882 0.101 1
1 428 . 20 1 1 A 78 78 CYS H H 78 6.634 8.466 -1.832 1
1 429 . 20 1 1 A 78 78 CYS HA H 78 4.427 4.449 -0.022 1
1 432 . 20 1 1 A 79 79 HIS H H 79 7.043 8.284 -1.241 1
1 433 . 20 1 1 A 79 79 HIS HA H 79 3.437 4.719 -1.282 1
1 439 . 20 1 1 A 80 80 ASP H H 80 7.826 8.620 -0.794 1
1 440 . 20 1 1 A 80 80 ASP HA H 80 4.464 4.976 -0.512 1
1 443 . 20 1 1 A 81 81 ASP H H 81 7.139 8.094 -0.955 1
1 444 . 20 1 1 A 81 81 ASP HA H 81 4.321 4.681 -0.360 1
1 447 . 20 1 1 A 82 82 GLY H H 82 8.545 8.178 0.367 1
1 448 . 20 1 1 A 82 82 GLY HA2 H 82 3.871 3.957 -0.086 1
1 449 . 20 1 1 A 82 82 GLY HA3 H 82 3.534 3.961 -0.427 1
1 450 . 20 1 1 A 83 83 ARG H H 83 6.845 7.964 -1.119 1
1 451 . 20 1 1 A 83 83 ARG HA H 83 4.250 4.250 0.000 1
1 459 . 20 1 1 A 84 84 THR H H 84 8.063 8.593 -0.530 1
1 460 . 20 1 1 A 84 84 THR HA H 84 5.059 5.066 -0.007 1
1 465 . 20 1 1 A 85 85 ALA H H 85 8.904 8.494 0.410 1
1 466 . 20 1 1 A 85 85 ALA HA H 85 4.736 4.490 0.246 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 0 0.000 1
3 1 1 1 "RMS(OBS, PRED)" CB 0 0.000 1
4 1 1 1 "RMS(OBS, PRED)" H 79 1.027 1
5 1 1 1 "RMS(OBS, PRED)" HA 92 0.811 1
6 1 1 1 "RMS(OBS, PRED)" N 0 0.000 1
7 1 2 1 "RMS(OBS, PRED)" C 0 0.000 1
8 1 2 1 "RMS(OBS, PRED)" CA 0 0.000 1
9 1 2 1 "RMS(OBS, PRED)" CB 0 0.000 1
10 1 2 1 "RMS(OBS, PRED)" H 79 1.004 1
11 1 2 1 "RMS(OBS, PRED)" HA 92 0.808 1
12 1 2 1 "RMS(OBS, PRED)" N 0 0.000 1
13 1 3 1 "RMS(OBS, PRED)" C 0 0.000 1
14 1 3 1 "RMS(OBS, PRED)" CA 0 0.000 1
15 1 3 1 "RMS(OBS, PRED)" CB 0 0.000 1
16 1 3 1 "RMS(OBS, PRED)" H 79 0.999 1
17 1 3 1 "RMS(OBS, PRED)" HA 92 0.817 1
18 1 3 1 "RMS(OBS, PRED)" N 0 0.000 1
19 1 4 1 "RMS(OBS, PRED)" C 0 0.000 1
20 1 4 1 "RMS(OBS, PRED)" CA 0 0.000 1
21 1 4 1 "RMS(OBS, PRED)" CB 0 0.000 1
22 1 4 1 "RMS(OBS, PRED)" H 79 1.040 1
23 1 4 1 "RMS(OBS, PRED)" HA 92 0.819 1
24 1 4 1 "RMS(OBS, PRED)" N 0 0.000 1
25 1 5 1 "RMS(OBS, PRED)" C 0 0.000 1
26 1 5 1 "RMS(OBS, PRED)" CA 0 0.000 1
27 1 5 1 "RMS(OBS, PRED)" CB 0 0.000 1
28 1 5 1 "RMS(OBS, PRED)" H 79 1.033 1
29 1 5 1 "RMS(OBS, PRED)" HA 92 0.815 1
30 1 5 1 "RMS(OBS, PRED)" N 0 0.000 1
31 1 6 1 "RMS(OBS, PRED)" C 0 0.000 1
32 1 6 1 "RMS(OBS, PRED)" CA 0 0.000 1
33 1 6 1 "RMS(OBS, PRED)" CB 0 0.000 1
34 1 6 1 "RMS(OBS, PRED)" H 79 1.025 1
35 1 6 1 "RMS(OBS, PRED)" HA 92 0.818 1
36 1 6 1 "RMS(OBS, PRED)" N 0 0.000 1
37 1 7 1 "RMS(OBS, PRED)" C 0 0.000 1
38 1 7 1 "RMS(OBS, PRED)" CA 0 0.000 1
39 1 7 1 "RMS(OBS, PRED)" CB 0 0.000 1
40 1 7 1 "RMS(OBS, PRED)" H 79 1.006 1
41 1 7 1 "RMS(OBS, PRED)" HA 92 0.821 1
42 1 7 1 "RMS(OBS, PRED)" N 0 0.000 1
43 1 8 1 "RMS(OBS, PRED)" C 0 0.000 1
44 1 8 1 "RMS(OBS, PRED)" CA 0 0.000 1
45 1 8 1 "RMS(OBS, PRED)" CB 0 0.000 1
46 1 8 1 "RMS(OBS, PRED)" H 79 1.012 1
47 1 8 1 "RMS(OBS, PRED)" HA 92 0.817 1
48 1 8 1 "RMS(OBS, PRED)" N 0 0.000 1
49 1 9 1 "RMS(OBS, PRED)" C 0 0.000 1
50 1 9 1 "RMS(OBS, PRED)" CA 0 0.000 1
51 1 9 1 "RMS(OBS, PRED)" CB 0 0.000 1
52 1 9 1 "RMS(OBS, PRED)" H 79 0.996 1
53 1 9 1 "RMS(OBS, PRED)" HA 92 0.815 1
54 1 9 1 "RMS(OBS, PRED)" N 0 0.000 1
55 1 10 1 "RMS(OBS, PRED)" C 0 0.000 1
56 1 10 1 "RMS(OBS, PRED)" CA 0 0.000 1
57 1 10 1 "RMS(OBS, PRED)" CB 0 0.000 1
58 1 10 1 "RMS(OBS, PRED)" H 79 0.994 1
59 1 10 1 "RMS(OBS, PRED)" HA 92 0.816 1
60 1 10 1 "RMS(OBS, PRED)" N 0 0.000 1
61 1 11 1 "RMS(OBS, PRED)" C 0 0.000 1
62 1 11 1 "RMS(OBS, PRED)" CA 0 0.000 1
63 1 11 1 "RMS(OBS, PRED)" CB 0 0.000 1
64 1 11 1 "RMS(OBS, PRED)" H 79 1.016 1
65 1 11 1 "RMS(OBS, PRED)" HA 92 0.810 1
66 1 11 1 "RMS(OBS, PRED)" N 0 0.000 1
67 1 12 1 "RMS(OBS, PRED)" C 0 0.000 1
68 1 12 1 "RMS(OBS, PRED)" CA 0 0.000 1
69 1 12 1 "RMS(OBS, PRED)" CB 0 0.000 1
70 1 12 1 "RMS(OBS, PRED)" H 79 1.002 1
71 1 12 1 "RMS(OBS, PRED)" HA 92 0.804 1
72 1 12 1 "RMS(OBS, PRED)" N 0 0.000 1
73 1 13 1 "RMS(OBS, PRED)" C 0 0.000 1
74 1 13 1 "RMS(OBS, PRED)" CA 0 0.000 1
75 1 13 1 "RMS(OBS, PRED)" CB 0 0.000 1
76 1 13 1 "RMS(OBS, PRED)" H 79 1.018 1
77 1 13 1 "RMS(OBS, PRED)" HA 92 0.805 1
78 1 13 1 "RMS(OBS, PRED)" N 0 0.000 1
79 1 14 1 "RMS(OBS, PRED)" C 0 0.000 1
80 1 14 1 "RMS(OBS, PRED)" CA 0 0.000 1
81 1 14 1 "RMS(OBS, PRED)" CB 0 0.000 1
82 1 14 1 "RMS(OBS, PRED)" H 79 0.990 1
83 1 14 1 "RMS(OBS, PRED)" HA 92 0.817 1
84 1 14 1 "RMS(OBS, PRED)" N 0 0.000 1
85 1 15 1 "RMS(OBS, PRED)" C 0 0.000 1
86 1 15 1 "RMS(OBS, PRED)" CA 0 0.000 1
87 1 15 1 "RMS(OBS, PRED)" CB 0 0.000 1
88 1 15 1 "RMS(OBS, PRED)" H 79 1.007 1
89 1 15 1 "RMS(OBS, PRED)" HA 92 0.809 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 79 0.997 1
95 1 16 1 "RMS(OBS, PRED)" HA 92 0.804 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 79 0.996 1
101 1 17 1 "RMS(OBS, PRED)" HA 92 0.811 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 79 1.035 1
107 1 18 1 "RMS(OBS, PRED)" HA 92 0.812 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 79 1.021 1
113 1 19 1 "RMS(OBS, PRED)" HA 92 0.811 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 79 1.011 1
119 1 20 1 "RMS(OBS, PRED)" HA 92 0.821 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 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 1 . 1 1 A 2 2 ASP HA H 2 4.450 4.830 -0.380 2
1 2 . 1 1 A 3 3 GLU H H 3 8.214 8.553 -0.339 2
1 3 . 1 1 A 3 3 GLU HA H 3 4.213 4.704 -0.491 2
1 8 . 1 1 A 4 4 THR H H 4 8.208 8.662 -0.454 2
1 9 . 1 1 A 4 4 THR HA H 4 4.367 4.800 -0.433 2
1 14 . 1 1 A 5 5 LEU H H 5 8.068 8.574 -0.506 2
1 15 . 1 1 A 5 5 LEU HA H 5 3.094 4.206 -1.112 2
1 25 . 1 1 A 6 6 ALA H H 6 7.938 8.207 -0.269 2
1 26 . 1 1 A 6 6 ALA HA H 6 2.662 3.922 -1.260 2
1 30 . 1 1 A 7 7 GLU H H 7 6.938 7.817 -0.879 2
1 31 . 1 1 A 7 7 GLU HA H 7 3.273 4.089 -0.816 2
1 36 . 1 1 A 8 8 PHE H H 8 7.568 8.275 -0.707 2
1 37 . 1 1 A 8 8 PHE HA H 8 3.752 4.135 -0.383 2
1 45 . 1 1 A 9 9 HIS H H 9 6.505 8.031 -1.526 2
1 46 . 1 1 A 9 9 HIS HA H 9 2.781 4.194 -1.413 2
1 52 . 1 1 A 10 10 VAL H H 10 8.569 8.494 0.075 2
1 53 . 1 1 A 10 10 VAL HA H 10 3.499 3.520 -0.021 2
1 61 . 1 1 A 11 11 GLU H H 11 7.185 8.560 -1.375 2
1 62 . 1 1 A 11 11 GLU HA H 11 3.843 4.026 -0.183 2
1 67 . 1 1 A 12 12 MET H H 12 6.578 7.776 -1.198 2
1 68 . 1 1 A 12 12 MET HA H 12 4.240 4.441 -0.201 2
1 75 . 1 1 A 13 13 GLY H H 13 7.583 8.499 -0.916 2
1 76 . 1 1 A 13 13 GLY HA2 H 13 4.459 4.126 0.333 2
1 77 . 1 1 A 13 13 GLY HA3 H 13 3.916 4.130 -0.214 2
1 78 . 1 1 A 14 14 GLY H H 14 8.818 7.484 1.334 2
1 79 . 1 1 A 14 14 GLY HA2 H 14 4.646 4.131 0.515 2
1 80 . 1 1 A 14 14 GLY HA3 H 14 4.203 4.132 0.071 2
1 81 . 1 1 A 15 15 CYS H H 15 9.211 8.764 0.447 2
1 82 . 1 1 A 15 15 CYS HA H 15 5.103 4.452 0.651 2
1 85 . 1 1 A 16 16 GLU H H 16 9.687 8.017 1.670 2
1 86 . 1 1 A 16 16 GLU HA H 16 4.684 4.792 -0.108 2
1 91 . 1 1 A 17 17 ASN H H 17 7.564 7.841 -0.277 2
1 92 . 1 1 A 17 17 ASN HA H 17 4.312 4.506 -0.194 2
1 96 . 1 1 A 18 18 CYS H H 18 6.420 7.566 -1.147 2
1 97 . 1 1 A 18 18 CYS HA H 18 4.663 4.440 0.223 2
1 100 . 1 1 A 19 19 HIS H H 19 6.637 7.528 -0.891 2
1 101 . 1 1 A 19 19 HIS HA H 19 3.768 5.252 -1.484 2
1 107 . 1 1 A 20 20 ALA H H 20 7.669 8.704 -1.035 2
1 108 . 1 1 A 20 20 ALA HA H 20 3.596 4.581 -0.985 2
1 112 . 1 1 A 21 21 ASP H H 21 9.152 9.593 -0.441 2
1 113 . 1 1 A 21 21 ASP HA H 21 4.059 4.352 -0.293 2
1 116 . 1 1 A 22 22 GLY H H 22 7.497 8.747 -1.250 2
1 117 . 1 1 A 22 22 GLY HA2 H 22 3.774 3.927 -0.153 2
1 118 . 1 1 A 22 22 GLY HA3 H 22 2.380 3.945 -1.565 2
1 119 . 1 1 A 23 23 GLU H H 23 6.896 7.799 -0.903 2
1 120 . 1 1 A 23 23 GLU HA H 23 4.029 4.766 -0.737 2
1 125 . 1 1 A 24 24 PRO HA H 24 2.264 4.521 -2.257 2
1 132 . 1 1 A 25 25 SER H H 25 8.295 8.478 -0.183 2
1 133 . 1 1 A 25 25 SER HA H 25 4.243 4.606 -0.363 2
1 135 . 1 1 A 26 26 LYS H H 26 8.813 8.677 0.136 2
1 136 . 1 1 A 26 26 LYS HA H 26 4.369 4.636 -0.267 2
1 141 . 1 1 A 27 27 ASP H H 27 7.852 8.075 -0.223 2
1 142 . 1 1 A 27 27 ASP HA H 27 4.833 4.796 0.037 2
1 145 . 1 1 A 28 28 GLY H H 28 8.560 7.923 0.637 2
1 146 . 1 1 A 28 28 GLY HA2 H 28 4.397 3.982 0.415 2
1 147 . 1 1 A 28 28 GLY HA3 H 28 4.177 4.011 0.166 2
1 148 . 1 1 A 29 29 ALA H H 29 8.375 8.300 0.075 2
1 149 . 1 1 A 29 29 ALA HA H 29 4.391 4.167 0.224 2
1 153 . 1 1 A 30 30 TYR H H 30 8.661 8.593 0.068 2
1 154 . 1 1 A 30 30 TYR HA H 30 4.014 4.060 -0.046 2
1 160 . 1 1 A 31 31 GLU H H 31 9.525 8.224 1.301 2
1 161 . 1 1 A 31 31 GLU HA H 31 4.238 3.841 0.397 2
1 164 . 1 1 A 32 32 PHE H H 32 8.247 8.575 -0.328 2
1 165 . 1 1 A 32 32 PHE HA H 32 5.401 4.004 1.397 2
1 172 . 1 1 A 33 33 GLU H H 33 8.353 8.116 0.237 2
1 173 . 1 1 A 33 33 GLU HA H 33 3.763 3.622 0.141 2
1 178 . 1 1 A 34 34 GLN H H 34 8.408 8.388 0.020 2
1 179 . 1 1 A 34 34 GLN HA H 34 4.288 3.926 0.362 2
1 186 . 1 1 A 35 35 CYS H H 35 10.043 7.291 2.752 2
1 187 . 1 1 A 35 35 CYS HA H 35 5.048 4.652 0.396 2
1 190 . 1 1 A 36 36 GLN H H 36 7.667 7.560 0.107 2
1 191 . 1 1 A 36 36 GLN HA H 36 4.122 4.618 -0.496 2
1 197 . 1 1 A 37 37 SER H H 37 8.069 8.209 -0.140 2
1 198 . 1 1 A 37 37 SER HA H 37 4.104 4.679 -0.575 2
1 200 . 1 1 A 38 38 CYS H H 38 6.534 8.571 -2.037 2
1 201 . 1 1 A 38 38 CYS HA H 38 4.458 4.155 0.303 2
1 204 . 1 1 A 39 39 HIS H H 39 7.195 7.938 -0.743 2
1 205 . 1 1 A 39 39 HIS HA H 39 3.167 4.700 -1.533 2
1 211 . 1 1 A 40 40 GLY H H 40 7.528 7.571 -0.043 2
1 212 . 1 1 A 40 40 GLY HA2 H 40 3.838 4.051 -0.213 2
1 213 . 1 1 A 40 40 GLY HA3 H 40 3.336 4.066 -0.730 2
1 214 . 1 1 A 41 41 SER H H 41 7.364 8.380 -1.016 2
1 215 . 1 1 A 41 41 SER HA H 41 4.332 5.179 -0.847 2
1 218 . 1 1 A 42 42 LEU H H 42 8.713 9.108 -0.395 2
1 219 . 1 1 A 42 42 LEU HA H 42 3.145 4.141 -0.996 2
1 229 . 1 1 A 43 43 ALA H H 43 7.277 7.911 -0.634 2
1 230 . 1 1 A 43 43 ALA HA H 43 3.522 4.243 -0.721 2
1 234 . 1 1 A 44 44 GLU H H 44 6.953 8.713 -1.760 2
1 235 . 1 1 A 44 44 GLU HA H 44 4.001 4.554 -0.553 2
1 239 . 1 1 A 45 45 MET H H 45 6.301 7.730 -1.429 2
1 240 . 1 1 A 45 45 MET HA H 45 3.491 4.791 -1.300 2
1 248 . 1 1 A 46 46 ASP H H 46 6.781 8.623 -1.842 2
1 249 . 1 1 A 46 46 ASP HA H 46 3.893 4.709 -0.816 2
1 252 . 1 1 A 47 47 ASP H H 47 7.863 8.842 -0.979 2
1 253 . 1 1 A 47 47 ASP HA H 47 3.940 4.646 -0.706 2
1 256 . 1 1 A 48 48 ASN H H 48 7.316 8.092 -0.776 2
1 257 . 1 1 A 48 48 ASN HA H 48 4.186 4.758 -0.572 2
1 262 . 1 1 A 49 49 HIS H H 49 6.197 7.891 -1.694 2
1 263 . 1 1 A 49 49 HIS HA H 49 1.562 4.560 -2.998 2
1 269 . 1 1 A 50 50 LYS H H 50 7.161 7.998 -0.837 2
1 270 . 1 1 A 50 50 LYS HA H 50 3.125 4.028 -0.903 2
1 276 . 1 1 A 51 51 PRO HA H 51 3.694 4.170 -0.476 2
1 283 . 1 1 A 52 52 HIS H H 52 6.170 7.469 -1.299 2
1 284 . 1 1 A 52 52 HIS HA H 52 2.763 4.260 -1.497 2
1 290 . 1 1 A 53 53 ASP H H 53 6.870 8.531 -1.661 2
1 291 . 1 1 A 53 53 ASP HA H 53 4.033 4.288 -0.255 2
1 294 . 1 1 A 54 54 GLY H H 54 8.685 8.722 -0.037 2
1 295 . 1 1 A 54 54 GLY HA2 H 54 4.253 4.016 0.237 2
1 296 . 1 1 A 54 54 GLY HA3 H 54 3.660 4.040 -0.380 2
1 297 . 1 1 A 55 55 LEU H H 55 7.965 7.959 0.006 2
1 298 . 1 1 A 55 55 LEU HA H 55 4.636 4.534 0.102 2
1 307 . 1 1 A 56 56 LEU H H 56 7.090 7.728 -0.638 2
1 308 . 1 1 A 56 56 LEU HA H 56 4.894 4.849 0.045 2
1 318 . 1 1 A 57 57 MET H H 57 9.052 8.787 0.265 2
1 319 . 1 1 A 57 57 MET HA H 57 4.032 4.175 -0.143 2
1 323 . 1 1 A 58 58 CYS H H 58 7.800 8.885 -1.085 2
1 324 . 1 1 A 58 58 CYS HA H 58 5.550 4.191 1.359 2
1 327 . 1 1 A 59 59 ALA H H 59 9.149 8.188 0.961 2
1 328 . 1 1 A 59 59 ALA HA H 59 4.072 4.086 -0.014 2
1 332 . 1 1 A 60 60 ASP H H 60 7.878 8.280 -0.402 2
1 333 . 1 1 A 60 60 ASP HA H 60 4.543 4.283 0.260 2
1 336 . 1 1 A 61 61 CYS H H 61 6.557 9.053 -2.496 2
1 337 . 1 1 A 61 61 CYS HA H 61 4.728 4.396 0.332 2
1 340 . 1 1 A 62 62 HIS H H 62 7.267 8.769 -1.502 2
1 341 . 1 1 A 62 62 HIS HA H 62 3.031 4.731 -1.700 2
1 347 . 1 1 A 63 63 ALA H H 63 7.251 7.391 -0.140 2
1 348 . 1 1 A 63 63 ALA HA H 63 4.202 4.096 0.106 2
1 352 . 1 1 A 64 64 PRO HA H 64 3.270 4.311 -1.042 2
1 359 . 1 1 A 65 65 HIS H H 65 7.148 8.232 -1.085 2
1 360 . 1 1 A 65 65 HIS HA H 65 2.937 4.720 -1.783 2
1 366 . 1 1 A 66 66 GLU H H 66 7.113 8.469 -1.356 2
1 367 . 1 1 A 66 66 GLU HA H 66 3.936 4.449 -0.513 2
1 371 . 1 1 A 67 67 ALA H H 67 7.983 8.715 -0.732 2
1 372 . 1 1 A 67 67 ALA HA H 67 3.852 4.359 -0.507 2
1 376 . 1 1 A 68 68 LYS H H 68 7.981 8.828 -0.847 2
1 377 . 1 1 A 68 68 LYS HA H 68 4.293 4.890 -0.597 2
1 382 . 1 1 A 69 69 VAL H H 69 7.859 8.299 -0.440 2
1 383 . 1 1 A 69 69 VAL HA H 69 3.207 3.345 -0.138 2
1 391 . 1 1 A 70 70 GLY H H 70 8.901 8.740 0.161 2
1 392 . 1 1 A 70 70 GLY HA2 H 70 4.234 3.846 0.388 2
1 393 . 1 1 A 70 70 GLY HA3 H 70 3.817 3.848 -0.031 2
1 394 . 1 1 A 71 71 GLU H H 71 7.596 7.824 -0.228 2
1 395 . 1 1 A 71 71 GLU HA H 71 4.437 4.671 -0.234 2
1 398 . 1 1 A 72 72 LYS H H 72 8.483 8.539 -0.056 2
1 399 . 1 1 A 72 72 LYS HA H 72 4.571 4.794 -0.223 2
1 402 . 1 1 A 73 73 PRO HA H 73 4.419 4.399 0.020 2
1 409 . 1 1 A 74 74 THR H H 74 8.511 8.205 0.306 2
1 410 . 1 1 A 74 74 THR HA H 74 5.336 4.716 0.620 2
1 415 . 1 1 A 75 75 CYS H H 75 8.998 9.164 -0.166 2
1 416 . 1 1 A 75 75 CYS HA H 75 5.967 4.118 1.849 2
1 419 . 1 1 A 76 76 ASP H H 76 8.504 8.308 0.196 2
1 420 . 1 1 A 76 76 ASP HA H 76 4.565 4.803 -0.238 2
1 422 . 1 1 A 77 77 THR H H 77 7.809 7.660 0.148 2
1 423 . 1 1 A 77 77 THR HA H 77 3.983 4.007 -0.024 2
1 428 . 1 1 A 78 78 CYS H H 78 6.634 8.303 -1.669 2
1 429 . 1 1 A 78 78 CYS HA H 78 4.427 4.475 -0.048 2
1 432 . 1 1 A 79 79 HIS H H 79 7.043 8.429 -1.386 2
1 433 . 1 1 A 79 79 HIS HA H 79 3.437 4.735 -1.298 2
1 439 . 1 1 A 80 80 ASP H H 80 7.826 8.823 -0.997 2
1 440 . 1 1 A 80 80 ASP HA H 80 4.464 4.801 -0.337 2
1 443 . 1 1 A 81 81 ASP H H 81 7.139 8.134 -0.995 2
1 444 . 1 1 A 81 81 ASP HA H 81 4.321 4.697 -0.376 2
1 447 . 1 1 A 82 82 GLY H H 82 8.545 8.203 0.342 2
1 448 . 1 1 A 82 82 GLY HA2 H 82 3.871 3.954 -0.083 2
1 449 . 1 1 A 82 82 GLY HA3 H 82 3.534 3.959 -0.425 2
1 450 . 1 1 A 83 83 ARG H H 83 6.845 8.043 -1.198 2
1 451 . 1 1 A 83 83 ARG HA H 83 4.250 4.246 0.004 2
1 459 . 1 1 A 84 84 THR H H 84 8.063 8.580 -0.517 2
1 460 . 1 1 A 84 84 THR HA H 84 5.059 5.078 -0.019 2
1 465 . 1 1 A 85 85 ALA H H 85 8.904 8.536 0.368 2
1 466 . 1 1 A 85 85 ALA HA H 85 4.736 4.445 0.291 2
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