data_15405_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15405
_Entry.PDB_ID 2JOO
_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 9 . 1 1 1 A 2 2 VAL H H 2 8.321 8.823 -0.502 1
1 10 . 1 1 1 A 2 2 VAL HA H 2 4.169 4.748 -0.579 1
1 18 . 1 1 1 A 3 3 TYR H H 3 8.329 9.015 -0.686 1
1 19 . 1 1 1 A 3 3 TYR HA H 3 4.998 5.268 -0.270 1
1 26 . 1 1 1 A 4 4 THR H H 4 9.053 8.471 0.582 1
1 27 . 1 1 1 A 4 4 THR HA H 4 4.712 4.982 -0.270 1
1 32 . 1 1 1 A 5 5 ASP H H 5 8.700 8.469 0.231 1
1 33 . 1 1 1 A 5 5 ASP HA H 5 4.803 5.116 -0.313 1
1 36 . 1 1 1 A 6 6 CYS H H 6 8.947 8.521 0.426 1
1 37 . 1 1 1 A 6 6 CYS HA H 6 4.710 4.577 0.133 1
1 40 . 1 1 1 A 7 7 THR H H 7 9.504 9.061 0.443 1
1 41 . 1 1 1 A 7 7 THR HA H 7 4.448 4.478 -0.030 1
1 46 . 1 1 1 A 8 8 GLU H H 8 7.388 7.899 -0.511 1
1 47 . 1 1 1 A 8 8 GLU HA H 8 4.604 4.776 -0.172 1
1 52 . 1 1 1 A 9 9 SER H H 9 9.007 8.782 0.225 1
1 53 . 1 1 1 A 9 9 SER HA H 9 4.871 4.489 0.382 1
1 56 . 1 1 1 A 10 10 GLY H H 10 9.721 9.567 0.154 1
1 57 . 1 1 1 A 10 10 GLY HA2 H 10 3.292 4.012 -0.720 1
1 58 . 1 1 1 A 10 10 GLY HA3 H 10 4.589 4.013 0.576 1
1 59 . 1 1 1 A 11 11 GLN H H 11 7.421 7.690 -0.269 1
1 60 . 1 1 1 A 11 11 GLN HA H 11 5.277 4.815 0.462 1
1 67 . 1 1 1 A 12 12 ASN H H 12 8.211 8.490 -0.279 1
1 68 . 1 1 1 A 12 12 ASN HA H 12 4.548 4.826 -0.278 1
1 73 . 1 1 1 A 13 13 LEU H H 13 9.227 7.944 1.283 1
1 74 . 1 1 1 A 13 13 LEU HA H 13 3.297 5.013 -1.716 1
1 84 . 1 1 1 A 14 14 CYS H H 14 7.303 9.187 -1.884 1
1 85 . 1 1 1 A 14 14 CYS HA H 14 5.005 4.976 0.029 1
1 88 . 1 1 1 A 15 15 LEU H H 15 9.081 9.317 -0.236 1
1 89 . 1 1 1 A 15 15 LEU HA H 15 4.301 4.573 -0.272 1
1 99 . 1 1 1 A 16 16 CYS H H 16 7.460 8.917 -1.457 1
1 100 . 1 1 1 A 16 16 CYS HA H 16 4.779 4.502 0.277 1
1 103 . 1 1 1 A 17 17 GLU H H 17 8.673 8.501 0.172 1
1 104 . 1 1 1 A 17 17 GLU HA H 17 4.496 4.329 0.167 1
1 109 . 1 1 1 A 18 18 GLY H H 18 8.478 8.902 -0.424 1
1 110 . 1 1 1 A 18 18 GLY HA2 H 18 3.677 3.837 -0.160 1
1 111 . 1 1 1 A 18 18 GLY HA3 H 18 3.947 3.839 0.108 1
1 112 . 1 1 1 A 19 19 SER H H 19 8.696 8.542 0.154 1
1 113 . 1 1 1 A 19 19 SER HA H 19 4.414 4.565 -0.151 1
1 116 . 1 1 1 A 20 20 ASN H H 20 7.971 8.549 -0.578 1
1 117 . 1 1 1 A 20 20 ASN HA H 20 4.893 4.612 0.281 1
1 122 . 1 1 1 A 21 21 VAL H H 21 9.070 8.817 0.253 1
1 123 . 1 1 1 A 21 21 VAL HA H 21 3.437 4.542 -1.105 1
1 131 . 1 1 1 A 22 22 CYS H H 22 8.466 8.372 0.094 1
1 132 . 1 1 1 A 22 22 CYS HA H 22 5.144 4.311 0.833 1
1 135 . 1 1 1 A 23 23 GLY H H 23 9.160 8.403 0.757 1
1 136 . 1 1 1 A 23 23 GLY HA2 H 23 3.861 4.178 -0.317 1
1 137 . 1 1 1 A 23 23 GLY HA3 H 23 4.029 4.191 -0.162 1
1 138 . 1 1 1 A 24 24 GLN H H 24 8.497 8.511 -0.014 1
1 139 . 1 1 1 A 24 24 GLN HA H 24 4.064 4.333 -0.269 1
1 146 . 1 1 1 A 25 25 GLY H H 25 8.442 8.851 -0.409 1
1 147 . 1 1 1 A 25 25 GLY HA2 H 25 3.656 3.990 -0.334 1
1 148 . 1 1 1 A 25 25 GLY HA3 H 25 4.283 3.990 0.293 1
1 149 . 1 1 1 A 26 26 ASN H H 26 8.073 7.928 0.145 1
1 150 . 1 1 1 A 26 26 ASN HA H 26 5.526 5.333 0.193 1
1 155 . 1 1 1 A 27 27 LYS H H 27 9.317 9.172 0.145 1
1 156 . 1 1 1 A 27 27 LYS HA H 27 4.460 4.754 -0.294 1
1 165 . 1 1 1 A 28 28 CYS H H 28 9.111 9.618 -0.507 1
1 166 . 1 1 1 A 28 28 CYS HA H 28 5.393 5.601 -0.208 1
1 169 . 1 1 1 A 29 29 ILE H H 29 9.859 9.101 0.758 1
1 170 . 1 1 1 A 29 29 ILE HA H 29 4.325 4.967 -0.642 1
1 180 . 1 1 1 A 30 30 LEU H H 30 8.364 8.883 -0.519 1
1 181 . 1 1 1 A 30 30 LEU HA H 30 4.178 5.431 -1.253 1
1 191 . 1 1 1 A 31 31 GLY H H 31 9.013 8.392 0.621 1
1 192 . 1 1 1 A 31 31 GLY HA2 H 31 3.417 4.042 -0.625 1
1 193 . 1 1 1 A 31 31 GLY HA3 H 31 3.888 4.042 -0.154 1
1 194 . 1 1 1 A 32 32 ARG H H 32 8.113 7.733 0.380 1
1 195 . 1 1 1 A 32 32 ARG HA H 32 4.511 4.659 -0.148 1
1 203 . 1 1 1 A 33 33 GLY H H 33 8.454 8.714 -0.260 1
1 204 . 1 1 1 A 33 33 GLY HA2 H 33 4.432 3.909 0.523 1
1 205 . 1 1 1 A 33 33 GLY HA3 H 33 3.806 3.909 -0.103 1
1 206 . 1 1 1 A 34 34 ASP H H 34 8.140 8.851 -0.711 1
1 207 . 1 1 1 A 34 34 ASP HA H 34 4.584 4.614 -0.030 1
1 210 . 1 1 1 A 35 35 SER H H 35 7.982 7.640 0.342 1
1 211 . 1 1 1 A 35 35 SER HA H 35 4.555 4.594 -0.039 1
1 214 . 1 1 1 A 36 36 LYS H H 36 8.213 7.865 0.348 1
1 215 . 1 1 1 A 36 36 LYS HA H 36 4.571 4.466 0.105 1
1 224 . 1 1 1 A 37 37 ASN H H 37 8.347 7.806 0.541 1
1 225 . 1 1 1 A 37 37 ASN HA H 37 4.618 5.151 -0.533 1
1 230 . 1 1 1 A 38 38 GLN H H 38 8.527 8.385 0.142 1
1 231 . 1 1 1 A 38 38 GLN HA H 38 4.764 4.725 0.039 1
1 238 . 1 1 1 A 39 39 CYS H H 39 10.318 8.375 1.943 1
1 239 . 1 1 1 A 39 39 CYS HA H 39 5.437 4.872 0.565 1
1 242 . 1 1 1 A 40 40 VAL H H 40 9.267 8.811 0.456 1
1 243 . 1 1 1 A 40 40 VAL HA H 40 4.904 4.479 0.425 1
1 251 . 1 1 1 A 41 41 THR H H 41 8.282 8.508 -0.226 1
1 252 . 1 1 1 A 41 41 THR HA H 41 4.470 4.794 -0.324 1
1 257 . 1 1 1 A 42 42 GLY H H 42 8.267 8.180 0.087 1
1 258 . 1 1 1 A 42 42 GLY HA2 H 42 3.687 4.244 -0.557 1
1 259 . 1 1 1 A 42 42 GLY HA3 H 42 4.125 4.244 -0.119 1
1 260 . 1 1 1 A 43 43 GLU H H 43 8.152 8.788 -0.636 1
1 261 . 1 1 1 A 43 43 GLU HA H 43 4.160 5.085 -0.925 1
1 266 . 1 1 1 A 44 44 GLY H H 44 7.853 8.497 -0.644 1
1 267 . 1 1 1 A 44 44 GLY HA2 H 44 4.582 4.101 0.481 1
1 268 . 1 1 1 A 44 44 GLY HA3 H 44 3.541 4.103 -0.562 1
1 269 . 1 1 1 A 45 45 THR H H 45 8.190 8.039 0.151 1
1 270 . 1 1 1 A 45 45 THR HA H 45 4.835 4.936 -0.101 1
1 275 . 1 1 1 A 46 46 PRO HA H 46 4.648 4.552 0.096 1
1 282 . 1 1 1 A 47 47 LYS H H 47 8.357 8.400 -0.043 1
1 283 . 1 1 1 A 47 47 LYS HA H 47 4.451 4.589 -0.138 1
1 292 . 1 1 1 A 48 48 PRO HA H 48 4.464 4.546 -0.082 1
1 299 . 1 1 1 A 49 49 GLN H H 49 8.579 8.404 0.175 1
1 300 . 1 1 1 A 49 49 GLN HA H 49 4.227 4.630 -0.403 1
1 307 . 1 1 1 A 50 50 SER H H 50 8.289 7.816 0.473 1
1 308 . 1 1 1 A 50 50 SER HA H 50 4.369 4.775 -0.406 1
1 9 . 2 1 1 A 2 2 VAL H H 2 8.321 7.663 0.658 1
1 10 . 2 1 1 A 2 2 VAL HA H 2 4.169 4.051 0.118 1
1 18 . 2 1 1 A 3 3 TYR H H 3 8.329 8.540 -0.211 1
1 19 . 2 1 1 A 3 3 TYR HA H 3 4.998 5.224 -0.226 1
1 26 . 2 1 1 A 4 4 THR H H 4 9.053 9.046 0.007 1
1 27 . 2 1 1 A 4 4 THR HA H 4 4.712 5.039 -0.327 1
1 32 . 2 1 1 A 5 5 ASP H H 5 8.700 8.532 0.168 1
1 33 . 2 1 1 A 5 5 ASP HA H 5 4.803 5.243 -0.440 1
1 36 . 2 1 1 A 6 6 CYS H H 6 8.947 8.517 0.430 1
1 37 . 2 1 1 A 6 6 CYS HA H 6 4.710 4.529 0.181 1
1 40 . 2 1 1 A 7 7 THR H H 7 9.504 8.867 0.637 1
1 41 . 2 1 1 A 7 7 THR HA H 7 4.448 4.464 -0.016 1
1 46 . 2 1 1 A 8 8 GLU H H 8 7.388 7.554 -0.166 1
1 47 . 2 1 1 A 8 8 GLU HA H 8 4.604 4.675 -0.071 1
1 52 . 2 1 1 A 9 9 SER H H 9 9.007 8.801 0.206 1
1 53 . 2 1 1 A 9 9 SER HA H 9 4.871 4.555 0.316 1
1 56 . 2 1 1 A 10 10 GLY H H 10 9.721 9.567 0.154 1
1 57 . 2 1 1 A 10 10 GLY HA2 H 10 3.292 3.975 -0.683 1
1 58 . 2 1 1 A 10 10 GLY HA3 H 10 4.589 3.976 0.613 1
1 59 . 2 1 1 A 11 11 GLN H H 11 7.421 7.739 -0.318 1
1 60 . 2 1 1 A 11 11 GLN HA H 11 5.277 4.839 0.438 1
1 67 . 2 1 1 A 12 12 ASN H H 12 8.211 8.371 -0.160 1
1 68 . 2 1 1 A 12 12 ASN HA H 12 4.548 4.768 -0.220 1
1 73 . 2 1 1 A 13 13 LEU H H 13 9.227 7.837 1.390 1
1 74 . 2 1 1 A 13 13 LEU HA H 13 3.297 4.521 -1.224 1
1 84 . 2 1 1 A 14 14 CYS H H 14 7.303 8.981 -1.678 1
1 85 . 2 1 1 A 14 14 CYS HA H 14 5.005 4.723 0.282 1
1 88 . 2 1 1 A 15 15 LEU H H 15 9.081 9.431 -0.350 1
1 89 . 2 1 1 A 15 15 LEU HA H 15 4.301 4.558 -0.257 1
1 99 . 2 1 1 A 16 16 CYS H H 16 7.460 8.857 -1.397 1
1 100 . 2 1 1 A 16 16 CYS HA H 16 4.779 4.541 0.238 1
1 103 . 2 1 1 A 17 17 GLU H H 17 8.673 8.149 0.524 1
1 104 . 2 1 1 A 17 17 GLU HA H 17 4.496 4.191 0.305 1
1 109 . 2 1 1 A 18 18 GLY H H 18 8.478 8.958 -0.480 1
1 110 . 2 1 1 A 18 18 GLY HA2 H 18 3.677 3.857 -0.180 1
1 111 . 2 1 1 A 18 18 GLY HA3 H 18 3.947 3.857 0.090 1
1 112 . 2 1 1 A 19 19 SER H H 19 8.696 8.292 0.404 1
1 113 . 2 1 1 A 19 19 SER HA H 19 4.414 4.556 -0.142 1
1 116 . 2 1 1 A 20 20 ASN H H 20 7.971 8.599 -0.628 1
1 117 . 2 1 1 A 20 20 ASN HA H 20 4.893 4.676 0.217 1
1 122 . 2 1 1 A 21 21 VAL H H 21 9.070 8.766 0.304 1
1 123 . 2 1 1 A 21 21 VAL HA H 21 3.437 4.327 -0.890 1
1 131 . 2 1 1 A 22 22 CYS H H 22 8.466 8.579 -0.113 1
1 132 . 2 1 1 A 22 22 CYS HA H 22 5.144 4.508 0.636 1
1 135 . 2 1 1 A 23 23 GLY H H 23 9.160 8.603 0.557 1
1 136 . 2 1 1 A 23 23 GLY HA2 H 23 3.861 4.218 -0.357 1
1 137 . 2 1 1 A 23 23 GLY HA3 H 23 4.029 4.250 -0.221 1
1 138 . 2 1 1 A 24 24 GLN H H 24 8.497 8.481 0.016 1
1 139 . 2 1 1 A 24 24 GLN HA H 24 4.064 4.270 -0.206 1
1 146 . 2 1 1 A 25 25 GLY H H 25 8.442 8.745 -0.303 1
1 147 . 2 1 1 A 25 25 GLY HA2 H 25 3.656 3.998 -0.342 1
1 148 . 2 1 1 A 25 25 GLY HA3 H 25 4.283 3.998 0.285 1
1 149 . 2 1 1 A 26 26 ASN H H 26 8.073 7.600 0.473 1
1 150 . 2 1 1 A 26 26 ASN HA H 26 5.526 5.457 0.069 1
1 155 . 2 1 1 A 27 27 LYS H H 27 9.317 9.138 0.179 1
1 156 . 2 1 1 A 27 27 LYS HA H 27 4.460 4.686 -0.226 1
1 165 . 2 1 1 A 28 28 CYS H H 28 9.111 9.149 -0.038 1
1 166 . 2 1 1 A 28 28 CYS HA H 28 5.393 5.652 -0.259 1
1 169 . 2 1 1 A 29 29 ILE H H 29 9.859 9.064 0.795 1
1 170 . 2 1 1 A 29 29 ILE HA H 29 4.325 4.888 -0.563 1
1 180 . 2 1 1 A 30 30 LEU H H 30 8.364 8.537 -0.173 1
1 181 . 2 1 1 A 30 30 LEU HA H 30 4.178 5.032 -0.854 1
1 191 . 2 1 1 A 31 31 GLY H H 31 9.013 8.083 0.930 1
1 192 . 2 1 1 A 31 31 GLY HA2 H 31 3.417 4.146 -0.729 1
1 193 . 2 1 1 A 31 31 GLY HA3 H 31 3.888 4.146 -0.258 1
1 194 . 2 1 1 A 32 32 ARG H H 32 8.113 8.457 -0.344 1
1 195 . 2 1 1 A 32 32 ARG HA H 32 4.511 4.589 -0.078 1
1 203 . 2 1 1 A 33 33 GLY H H 33 8.454 8.966 -0.512 1
1 204 . 2 1 1 A 33 33 GLY HA2 H 33 4.432 3.864 0.568 1
1 205 . 2 1 1 A 33 33 GLY HA3 H 33 3.806 3.864 -0.058 1
1 206 . 2 1 1 A 34 34 ASP H H 34 8.140 8.276 -0.136 1
1 207 . 2 1 1 A 34 34 ASP HA H 34 4.584 4.722 -0.138 1
1 210 . 2 1 1 A 35 35 SER H H 35 7.982 7.417 0.565 1
1 211 . 2 1 1 A 35 35 SER HA H 35 4.555 4.490 0.065 1
1 214 . 2 1 1 A 36 36 LYS H H 36 8.213 9.097 -0.884 1
1 215 . 2 1 1 A 36 36 LYS HA H 36 4.571 4.431 0.140 1
1 224 . 2 1 1 A 37 37 ASN H H 37 8.347 7.869 0.478 1
1 225 . 2 1 1 A 37 37 ASN HA H 37 4.618 5.377 -0.759 1
1 230 . 2 1 1 A 38 38 GLN H H 38 8.527 9.369 -0.842 1
1 231 . 2 1 1 A 38 38 GLN HA H 38 4.764 5.123 -0.359 1
1 238 . 2 1 1 A 39 39 CYS H H 39 10.318 8.820 1.498 1
1 239 . 2 1 1 A 39 39 CYS HA H 39 5.437 4.845 0.592 1
1 242 . 2 1 1 A 40 40 VAL H H 40 9.267 8.717 0.550 1
1 243 . 2 1 1 A 40 40 VAL HA H 40 4.904 4.281 0.623 1
1 251 . 2 1 1 A 41 41 THR H H 41 8.282 8.444 -0.162 1
1 252 . 2 1 1 A 41 41 THR HA H 41 4.470 4.725 -0.255 1
1 257 . 2 1 1 A 42 42 GLY H H 42 8.267 7.868 0.399 1
1 258 . 2 1 1 A 42 42 GLY HA2 H 42 3.687 4.236 -0.549 1
1 259 . 2 1 1 A 42 42 GLY HA3 H 42 4.125 4.237 -0.112 1
1 260 . 2 1 1 A 43 43 GLU H H 43 8.152 8.461 -0.309 1
1 261 . 2 1 1 A 43 43 GLU HA H 43 4.160 4.979 -0.819 1
1 266 . 2 1 1 A 44 44 GLY H H 44 7.853 8.556 -0.703 1
1 267 . 2 1 1 A 44 44 GLY HA2 H 44 4.582 4.070 0.512 1
1 268 . 2 1 1 A 44 44 GLY HA3 H 44 3.541 4.076 -0.535 1
1 269 . 2 1 1 A 45 45 THR H H 45 8.190 8.304 -0.114 1
1 270 . 2 1 1 A 45 45 THR HA H 45 4.835 4.830 0.005 1
1 275 . 2 1 1 A 46 46 PRO HA H 46 4.648 4.463 0.185 1
1 282 . 2 1 1 A 47 47 LYS H H 47 8.357 8.414 -0.057 1
1 283 . 2 1 1 A 47 47 LYS HA H 47 4.451 4.646 -0.195 1
1 292 . 2 1 1 A 48 48 PRO HA H 48 4.464 4.689 -0.225 1
1 299 . 2 1 1 A 49 49 GLN H H 49 8.579 8.674 -0.095 1
1 300 . 2 1 1 A 49 49 GLN HA H 49 4.227 4.563 -0.336 1
1 307 . 2 1 1 A 50 50 SER H H 50 8.289 7.903 0.386 1
1 308 . 2 1 1 A 50 50 SER HA H 50 4.369 4.817 -0.448 1
1 9 . 3 1 1 A 2 2 VAL H H 2 8.321 8.462 -0.141 1
1 10 . 3 1 1 A 2 2 VAL HA H 2 4.169 4.454 -0.285 1
1 18 . 3 1 1 A 3 3 TYR H H 3 8.329 8.888 -0.559 1
1 19 . 3 1 1 A 3 3 TYR HA H 3 4.998 5.083 -0.085 1
1 26 . 3 1 1 A 4 4 THR H H 4 9.053 9.008 0.045 1
1 27 . 3 1 1 A 4 4 THR HA H 4 4.712 4.972 -0.260 1
1 32 . 3 1 1 A 5 5 ASP H H 5 8.700 8.438 0.262 1
1 33 . 3 1 1 A 5 5 ASP HA H 5 4.803 5.032 -0.229 1
1 36 . 3 1 1 A 6 6 CYS H H 6 8.947 8.427 0.520 1
1 37 . 3 1 1 A 6 6 CYS HA H 6 4.710 4.493 0.217 1
1 40 . 3 1 1 A 7 7 THR H H 7 9.504 8.953 0.551 1
1 41 . 3 1 1 A 7 7 THR HA H 7 4.448 4.545 -0.097 1
1 46 . 3 1 1 A 8 8 GLU H H 8 7.388 7.520 -0.132 1
1 47 . 3 1 1 A 8 8 GLU HA H 8 4.604 4.687 -0.083 1
1 52 . 3 1 1 A 9 9 SER H H 9 9.007 8.821 0.186 1
1 53 . 3 1 1 A 9 9 SER HA H 9 4.871 4.619 0.252 1
1 56 . 3 1 1 A 10 10 GLY H H 10 9.721 9.676 0.045 1
1 57 . 3 1 1 A 10 10 GLY HA2 H 10 3.292 3.973 -0.681 1
1 58 . 3 1 1 A 10 10 GLY HA3 H 10 4.589 3.973 0.616 1
1 59 . 3 1 1 A 11 11 GLN H H 11 7.421 7.730 -0.309 1
1 60 . 3 1 1 A 11 11 GLN HA H 11 5.277 4.833 0.444 1
1 67 . 3 1 1 A 12 12 ASN H H 12 8.211 8.615 -0.404 1
1 68 . 3 1 1 A 12 12 ASN HA H 12 4.548 4.785 -0.237 1
1 73 . 3 1 1 A 13 13 LEU H H 13 9.227 7.997 1.230 1
1 74 . 3 1 1 A 13 13 LEU HA H 13 3.297 4.639 -1.342 1
1 84 . 3 1 1 A 14 14 CYS H H 14 7.303 9.020 -1.717 1
1 85 . 3 1 1 A 14 14 CYS HA H 14 5.005 4.789 0.216 1
1 88 . 3 1 1 A 15 15 LEU H H 15 9.081 8.590 0.491 1
1 89 . 3 1 1 A 15 15 LEU HA H 15 4.301 4.653 -0.352 1
1 99 . 3 1 1 A 16 16 CYS H H 16 7.460 8.709 -1.249 1
1 100 . 3 1 1 A 16 16 CYS HA H 16 4.779 4.523 0.256 1
1 103 . 3 1 1 A 17 17 GLU H H 17 8.673 7.947 0.726 1
1 104 . 3 1 1 A 17 17 GLU HA H 17 4.496 4.542 -0.046 1
1 109 . 3 1 1 A 18 18 GLY H H 18 8.478 8.916 -0.438 1
1 110 . 3 1 1 A 18 18 GLY HA2 H 18 3.677 3.849 -0.172 1
1 111 . 3 1 1 A 18 18 GLY HA3 H 18 3.947 3.849 0.098 1
1 112 . 3 1 1 A 19 19 SER H H 19 8.696 8.386 0.310 1
1 113 . 3 1 1 A 19 19 SER HA H 19 4.414 4.568 -0.154 1
1 116 . 3 1 1 A 20 20 ASN H H 20 7.971 8.173 -0.202 1
1 117 . 3 1 1 A 20 20 ASN HA H 20 4.893 4.903 -0.010 1
1 122 . 3 1 1 A 21 21 VAL H H 21 9.070 8.237 0.833 1
1 123 . 3 1 1 A 21 21 VAL HA H 21 3.437 4.364 -0.927 1
1 131 . 3 1 1 A 22 22 CYS H H 22 8.466 8.400 0.066 1
1 132 . 3 1 1 A 22 22 CYS HA H 22 5.144 4.580 0.564 1
1 135 . 3 1 1 A 23 23 GLY H H 23 9.160 8.492 0.668 1
1 136 . 3 1 1 A 23 23 GLY HA2 H 23 3.861 4.147 -0.286 1
1 137 . 3 1 1 A 23 23 GLY HA3 H 23 4.029 4.188 -0.159 1
1 138 . 3 1 1 A 24 24 GLN H H 24 8.497 8.421 0.076 1
1 139 . 3 1 1 A 24 24 GLN HA H 24 4.064 4.249 -0.185 1
1 146 . 3 1 1 A 25 25 GLY H H 25 8.442 8.791 -0.349 1
1 147 . 3 1 1 A 25 25 GLY HA2 H 25 3.656 4.000 -0.344 1
1 148 . 3 1 1 A 25 25 GLY HA3 H 25 4.283 4.001 0.282 1
1 149 . 3 1 1 A 26 26 ASN H H 26 8.073 7.481 0.592 1
1 150 . 3 1 1 A 26 26 ASN HA H 26 5.526 5.342 0.184 1
1 155 . 3 1 1 A 27 27 LYS H H 27 9.317 9.228 0.089 1
1 156 . 3 1 1 A 27 27 LYS HA H 27 4.460 4.759 -0.299 1
1 165 . 3 1 1 A 28 28 CYS H H 28 9.111 9.474 -0.363 1
1 166 . 3 1 1 A 28 28 CYS HA H 28 5.393 5.436 -0.043 1
1 169 . 3 1 1 A 29 29 ILE H H 29 9.859 8.929 0.930 1
1 170 . 3 1 1 A 29 29 ILE HA H 29 4.325 4.924 -0.599 1
1 180 . 3 1 1 A 30 30 LEU H H 30 8.364 9.076 -0.712 1
1 181 . 3 1 1 A 30 30 LEU HA H 30 4.178 5.588 -1.410 1
1 191 . 3 1 1 A 31 31 GLY H H 31 9.013 8.686 0.327 1
1 192 . 3 1 1 A 31 31 GLY HA2 H 31 3.417 4.047 -0.630 1
1 193 . 3 1 1 A 31 31 GLY HA3 H 31 3.888 4.047 -0.159 1
1 194 . 3 1 1 A 32 32 ARG H H 32 8.113 8.497 -0.384 1
1 195 . 3 1 1 A 32 32 ARG HA H 32 4.511 4.845 -0.334 1
1 203 . 3 1 1 A 33 33 GLY H H 33 8.454 8.709 -0.255 1
1 204 . 3 1 1 A 33 33 GLY HA2 H 33 4.432 3.899 0.533 1
1 205 . 3 1 1 A 33 33 GLY HA3 H 33 3.806 3.899 -0.093 1
1 206 . 3 1 1 A 34 34 ASP H H 34 8.140 8.759 -0.619 1
1 207 . 3 1 1 A 34 34 ASP HA H 34 4.584 4.670 -0.086 1
1 210 . 3 1 1 A 35 35 SER H H 35 7.982 7.787 0.195 1
1 211 . 3 1 1 A 35 35 SER HA H 35 4.555 4.642 -0.087 1
1 214 . 3 1 1 A 36 36 LYS H H 36 8.213 8.151 0.062 1
1 215 . 3 1 1 A 36 36 LYS HA H 36 4.571 4.147 0.424 1
1 224 . 3 1 1 A 37 37 ASN H H 37 8.347 8.011 0.336 1
1 225 . 3 1 1 A 37 37 ASN HA H 37 4.618 4.988 -0.370 1
1 230 . 3 1 1 A 38 38 GLN H H 38 8.527 8.701 -0.174 1
1 231 . 3 1 1 A 38 38 GLN HA H 38 4.764 5.075 -0.311 1
1 238 . 3 1 1 A 39 39 CYS H H 39 10.318 8.661 1.657 1
1 239 . 3 1 1 A 39 39 CYS HA H 39 5.437 4.915 0.522 1
1 242 . 3 1 1 A 40 40 VAL H H 40 9.267 8.785 0.482 1
1 243 . 3 1 1 A 40 40 VAL HA H 40 4.904 4.441 0.463 1
1 251 . 3 1 1 A 41 41 THR H H 41 8.282 8.516 -0.234 1
1 252 . 3 1 1 A 41 41 THR HA H 41 4.470 4.766 -0.296 1
1 257 . 3 1 1 A 42 42 GLY H H 42 8.267 7.991 0.276 1
1 258 . 3 1 1 A 42 42 GLY HA2 H 42 3.687 4.227 -0.540 1
1 259 . 3 1 1 A 42 42 GLY HA3 H 42 4.125 4.228 -0.103 1
1 260 . 3 1 1 A 43 43 GLU H H 43 8.152 8.788 -0.636 1
1 261 . 3 1 1 A 43 43 GLU HA H 43 4.160 5.101 -0.941 1
1 266 . 3 1 1 A 44 44 GLY H H 44 7.853 8.592 -0.739 1
1 267 . 3 1 1 A 44 44 GLY HA2 H 44 4.582 4.062 0.520 1
1 268 . 3 1 1 A 44 44 GLY HA3 H 44 3.541 4.068 -0.527 1
1 269 . 3 1 1 A 45 45 THR H H 45 8.190 8.338 -0.148 1
1 270 . 3 1 1 A 45 45 THR HA H 45 4.835 4.858 -0.023 1
1 275 . 3 1 1 A 46 46 PRO HA H 46 4.648 4.395 0.253 1
1 282 . 3 1 1 A 47 47 LYS H H 47 8.357 8.382 -0.025 1
1 283 . 3 1 1 A 47 47 LYS HA H 47 4.451 4.689 -0.238 1
1 292 . 3 1 1 A 48 48 PRO HA H 48 4.464 4.744 -0.280 1
1 299 . 3 1 1 A 49 49 GLN H H 49 8.579 8.347 0.232 1
1 300 . 3 1 1 A 49 49 GLN HA H 49 4.227 4.562 -0.335 1
1 307 . 3 1 1 A 50 50 SER H H 50 8.289 8.123 0.166 1
1 308 . 3 1 1 A 50 50 SER HA H 50 4.369 4.401 -0.032 1
1 9 . 4 1 1 A 2 2 VAL H H 2 8.321 8.764 -0.443 1
1 10 . 4 1 1 A 2 2 VAL HA H 2 4.169 4.357 -0.188 1
1 18 . 4 1 1 A 3 3 TYR H H 3 8.329 8.849 -0.520 1
1 19 . 4 1 1 A 3 3 TYR HA H 3 4.998 5.026 -0.028 1
1 26 . 4 1 1 A 4 4 THR H H 4 9.053 8.790 0.263 1
1 27 . 4 1 1 A 4 4 THR HA H 4 4.712 5.022 -0.310 1
1 32 . 4 1 1 A 5 5 ASP H H 5 8.700 8.481 0.219 1
1 33 . 4 1 1 A 5 5 ASP HA H 5 4.803 5.071 -0.268 1
1 36 . 4 1 1 A 6 6 CYS H H 6 8.947 8.913 0.034 1
1 37 . 4 1 1 A 6 6 CYS HA H 6 4.710 4.514 0.196 1
1 40 . 4 1 1 A 7 7 THR H H 7 9.504 9.052 0.452 1
1 41 . 4 1 1 A 7 7 THR HA H 7 4.448 4.433 0.015 1
1 46 . 4 1 1 A 8 8 GLU H H 8 7.388 7.937 -0.549 1
1 47 . 4 1 1 A 8 8 GLU HA H 8 4.604 4.795 -0.191 1
1 52 . 4 1 1 A 9 9 SER H H 9 9.007 8.825 0.182 1
1 53 . 4 1 1 A 9 9 SER HA H 9 4.871 4.604 0.267 1
1 56 . 4 1 1 A 10 10 GLY H H 10 9.721 9.446 0.275 1
1 57 . 4 1 1 A 10 10 GLY HA2 H 10 3.292 4.004 -0.712 1
1 58 . 4 1 1 A 10 10 GLY HA3 H 10 4.589 4.008 0.581 1
1 59 . 4 1 1 A 11 11 GLN H H 11 7.421 7.742 -0.321 1
1 60 . 4 1 1 A 11 11 GLN HA H 11 5.277 4.736 0.541 1
1 67 . 4 1 1 A 12 12 ASN H H 12 8.211 8.626 -0.415 1
1 68 . 4 1 1 A 12 12 ASN HA H 12 4.548 4.783 -0.235 1
1 73 . 4 1 1 A 13 13 LEU H H 13 9.227 8.017 1.210 1
1 74 . 4 1 1 A 13 13 LEU HA H 13 3.297 4.511 -1.214 1
1 84 . 4 1 1 A 14 14 CYS H H 14 7.303 8.997 -1.694 1
1 85 . 4 1 1 A 14 14 CYS HA H 14 5.005 4.776 0.229 1
1 88 . 4 1 1 A 15 15 LEU H H 15 9.081 9.063 0.018 1
1 89 . 4 1 1 A 15 15 LEU HA H 15 4.301 4.629 -0.328 1
1 99 . 4 1 1 A 16 16 CYS H H 16 7.460 8.549 -1.089 1
1 100 . 4 1 1 A 16 16 CYS HA H 16 4.779 4.458 0.321 1
1 103 . 4 1 1 A 17 17 GLU H H 17 8.673 7.931 0.742 1
1 104 . 4 1 1 A 17 17 GLU HA H 17 4.496 4.121 0.375 1
1 109 . 4 1 1 A 18 18 GLY H H 18 8.478 8.878 -0.400 1
1 110 . 4 1 1 A 18 18 GLY HA2 H 18 3.677 3.798 -0.121 1
1 111 . 4 1 1 A 18 18 GLY HA3 H 18 3.947 3.799 0.148 1
1 112 . 4 1 1 A 19 19 SER H H 19 8.696 8.307 0.389 1
1 113 . 4 1 1 A 19 19 SER HA H 19 4.414 4.533 -0.119 1
1 116 . 4 1 1 A 20 20 ASN H H 20 7.971 8.136 -0.165 1
1 117 . 4 1 1 A 20 20 ASN HA H 20 4.893 4.680 0.213 1
1 122 . 4 1 1 A 21 21 VAL H H 21 9.070 8.801 0.269 1
1 123 . 4 1 1 A 21 21 VAL HA H 21 3.437 4.319 -0.882 1
1 131 . 4 1 1 A 22 22 CYS H H 22 8.466 8.257 0.209 1
1 132 . 4 1 1 A 22 22 CYS HA H 22 5.144 4.393 0.751 1
1 135 . 4 1 1 A 23 23 GLY H H 23 9.160 8.539 0.621 1
1 136 . 4 1 1 A 23 23 GLY HA2 H 23 3.861 4.161 -0.300 1
1 137 . 4 1 1 A 23 23 GLY HA3 H 23 4.029 4.203 -0.174 1
1 138 . 4 1 1 A 24 24 GLN H H 24 8.497 8.599 -0.102 1
1 139 . 4 1 1 A 24 24 GLN HA H 24 4.064 4.296 -0.232 1
1 146 . 4 1 1 A 25 25 GLY H H 25 8.442 8.778 -0.336 1
1 147 . 4 1 1 A 25 25 GLY HA2 H 25 3.656 3.944 -0.288 1
1 148 . 4 1 1 A 25 25 GLY HA3 H 25 4.283 3.945 0.338 1
1 149 . 4 1 1 A 26 26 ASN H H 26 8.073 7.502 0.571 1
1 150 . 4 1 1 A 26 26 ASN HA H 26 5.526 5.470 0.056 1
1 155 . 4 1 1 A 27 27 LYS H H 27 9.317 9.342 -0.025 1
1 156 . 4 1 1 A 27 27 LYS HA H 27 4.460 4.712 -0.252 1
1 165 . 4 1 1 A 28 28 CYS H H 28 9.111 9.548 -0.437 1
1 166 . 4 1 1 A 28 28 CYS HA H 28 5.393 5.785 -0.392 1
1 169 . 4 1 1 A 29 29 ILE H H 29 9.859 8.994 0.865 1
1 170 . 4 1 1 A 29 29 ILE HA H 29 4.325 4.927 -0.602 1
1 180 . 4 1 1 A 30 30 LEU H H 30 8.364 8.570 -0.206 1
1 181 . 4 1 1 A 30 30 LEU HA H 30 4.178 5.097 -0.919 1
1 191 . 4 1 1 A 31 31 GLY H H 31 9.013 8.131 0.882 1
1 192 . 4 1 1 A 31 31 GLY HA2 H 31 3.417 4.015 -0.598 1
1 193 . 4 1 1 A 31 31 GLY HA3 H 31 3.888 4.016 -0.128 1
1 194 . 4 1 1 A 32 32 ARG H H 32 8.113 8.149 -0.036 1
1 195 . 4 1 1 A 32 32 ARG HA H 32 4.511 4.803 -0.292 1
1 203 . 4 1 1 A 33 33 GLY H H 33 8.454 8.359 0.095 1
1 204 . 4 1 1 A 33 33 GLY HA2 H 33 4.432 3.987 0.445 1
1 205 . 4 1 1 A 33 33 GLY HA3 H 33 3.806 3.987 -0.181 1
1 206 . 4 1 1 A 34 34 ASP H H 34 8.140 8.914 -0.774 1
1 207 . 4 1 1 A 34 34 ASP HA H 34 4.584 4.586 -0.002 1
1 210 . 4 1 1 A 35 35 SER H H 35 7.982 7.845 0.137 1
1 211 . 4 1 1 A 35 35 SER HA H 35 4.555 4.859 -0.304 1
1 214 . 4 1 1 A 36 36 LYS H H 36 8.213 8.189 0.024 1
1 215 . 4 1 1 A 36 36 LYS HA H 36 4.571 4.107 0.464 1
1 224 . 4 1 1 A 37 37 ASN H H 37 8.347 7.740 0.607 1
1 225 . 4 1 1 A 37 37 ASN HA H 37 4.618 5.419 -0.801 1
1 230 . 4 1 1 A 38 38 GLN H H 38 8.527 8.471 0.056 1
1 231 . 4 1 1 A 38 38 GLN HA H 38 4.764 4.864 -0.100 1
1 238 . 4 1 1 A 39 39 CYS H H 39 10.318 8.580 1.738 1
1 239 . 4 1 1 A 39 39 CYS HA H 39 5.437 4.823 0.614 1
1 242 . 4 1 1 A 40 40 VAL H H 40 9.267 8.732 0.535 1
1 243 . 4 1 1 A 40 40 VAL HA H 40 4.904 4.434 0.470 1
1 251 . 4 1 1 A 41 41 THR H H 41 8.282 8.505 -0.223 1
1 252 . 4 1 1 A 41 41 THR HA H 41 4.470 4.834 -0.364 1
1 257 . 4 1 1 A 42 42 GLY H H 42 8.267 8.036 0.231 1
1 258 . 4 1 1 A 42 42 GLY HA2 H 42 3.687 4.213 -0.526 1
1 259 . 4 1 1 A 42 42 GLY HA3 H 42 4.125 4.214 -0.089 1
1 260 . 4 1 1 A 43 43 GLU H H 43 8.152 8.780 -0.628 1
1 261 . 4 1 1 A 43 43 GLU HA H 43 4.160 5.060 -0.900 1
1 266 . 4 1 1 A 44 44 GLY H H 44 7.853 8.524 -0.671 1
1 267 . 4 1 1 A 44 44 GLY HA2 H 44 4.582 4.063 0.519 1
1 268 . 4 1 1 A 44 44 GLY HA3 H 44 3.541 4.070 -0.529 1
1 269 . 4 1 1 A 45 45 THR H H 45 8.190 8.375 -0.185 1
1 270 . 4 1 1 A 45 45 THR HA H 45 4.835 5.031 -0.196 1
1 275 . 4 1 1 A 46 46 PRO HA H 46 4.648 4.422 0.226 1
1 282 . 4 1 1 A 47 47 LYS H H 47 8.357 8.409 -0.052 1
1 283 . 4 1 1 A 47 47 LYS HA H 47 4.451 4.688 -0.237 1
1 292 . 4 1 1 A 48 48 PRO HA H 48 4.464 4.660 -0.196 1
1 299 . 4 1 1 A 49 49 GLN H H 49 8.579 8.137 0.442 1
1 300 . 4 1 1 A 49 49 GLN HA H 49 4.227 4.433 -0.206 1
1 307 . 4 1 1 A 50 50 SER H H 50 8.289 7.815 0.474 1
1 308 . 4 1 1 A 50 50 SER HA H 50 4.369 4.550 -0.181 1
1 9 . 5 1 1 A 2 2 VAL H H 2 8.321 8.808 -0.487 1
1 10 . 5 1 1 A 2 2 VAL HA H 2 4.169 4.409 -0.240 1
1 18 . 5 1 1 A 3 3 TYR H H 3 8.329 8.833 -0.504 1
1 19 . 5 1 1 A 3 3 TYR HA H 3 4.998 4.966 0.032 1
1 26 . 5 1 1 A 4 4 THR H H 4 9.053 8.761 0.292 1
1 27 . 5 1 1 A 4 4 THR HA H 4 4.712 5.087 -0.375 1
1 32 . 5 1 1 A 5 5 ASP H H 5 8.700 8.499 0.201 1
1 33 . 5 1 1 A 5 5 ASP HA H 5 4.803 4.909 -0.106 1
1 36 . 5 1 1 A 6 6 CYS H H 6 8.947 8.950 -0.003 1
1 37 . 5 1 1 A 6 6 CYS HA H 6 4.710 4.541 0.169 1
1 40 . 5 1 1 A 7 7 THR H H 7 9.504 8.852 0.652 1
1 41 . 5 1 1 A 7 7 THR HA H 7 4.448 4.483 -0.035 1
1 46 . 5 1 1 A 8 8 GLU H H 8 7.388 7.643 -0.255 1
1 47 . 5 1 1 A 8 8 GLU HA H 8 4.604 4.772 -0.168 1
1 52 . 5 1 1 A 9 9 SER H H 9 9.007 8.803 0.204 1
1 53 . 5 1 1 A 9 9 SER HA H 9 4.871 4.647 0.224 1
1 56 . 5 1 1 A 10 10 GLY H H 10 9.721 9.524 0.197 1
1 57 . 5 1 1 A 10 10 GLY HA2 H 10 3.292 4.009 -0.717 1
1 58 . 5 1 1 A 10 10 GLY HA3 H 10 4.589 4.011 0.578 1
1 59 . 5 1 1 A 11 11 GLN H H 11 7.421 7.240 0.181 1
1 60 . 5 1 1 A 11 11 GLN HA H 11 5.277 4.984 0.293 1
1 67 . 5 1 1 A 12 12 ASN H H 12 8.211 8.536 -0.325 1
1 68 . 5 1 1 A 12 12 ASN HA H 12 4.548 4.759 -0.211 1
1 73 . 5 1 1 A 13 13 LEU H H 13 9.227 7.712 1.515 1
1 74 . 5 1 1 A 13 13 LEU HA H 13 3.297 4.384 -1.087 1
1 84 . 5 1 1 A 14 14 CYS H H 14 7.303 8.926 -1.623 1
1 85 . 5 1 1 A 14 14 CYS HA H 14 5.005 4.685 0.320 1
1 88 . 5 1 1 A 15 15 LEU H H 15 9.081 9.020 0.061 1
1 89 . 5 1 1 A 15 15 LEU HA H 15 4.301 4.310 -0.009 1
1 99 . 5 1 1 A 16 16 CYS H H 16 7.460 8.109 -0.649 1
1 100 . 5 1 1 A 16 16 CYS HA H 16 4.779 4.415 0.364 1
1 103 . 5 1 1 A 17 17 GLU H H 17 8.673 7.678 0.995 1
1 104 . 5 1 1 A 17 17 GLU HA H 17 4.496 4.323 0.173 1
1 109 . 5 1 1 A 18 18 GLY H H 18 8.478 8.808 -0.330 1
1 110 . 5 1 1 A 18 18 GLY HA2 H 18 3.677 3.736 -0.059 1
1 111 . 5 1 1 A 18 18 GLY HA3 H 18 3.947 3.736 0.211 1
1 112 . 5 1 1 A 19 19 SER H H 19 8.696 7.787 0.909 1
1 113 . 5 1 1 A 19 19 SER HA H 19 4.414 4.605 -0.191 1
1 116 . 5 1 1 A 20 20 ASN H H 20 7.971 7.565 0.406 1
1 117 . 5 1 1 A 20 20 ASN HA H 20 4.893 4.782 0.111 1
1 122 . 5 1 1 A 21 21 VAL H H 21 9.070 8.662 0.408 1
1 123 . 5 1 1 A 21 21 VAL HA H 21 3.437 4.349 -0.912 1
1 131 . 5 1 1 A 22 22 CYS H H 22 8.466 8.335 0.131 1
1 132 . 5 1 1 A 22 22 CYS HA H 22 5.144 4.398 0.746 1
1 135 . 5 1 1 A 23 23 GLY H H 23 9.160 8.594 0.566 1
1 136 . 5 1 1 A 23 23 GLY HA2 H 23 3.861 4.182 -0.321 1
1 137 . 5 1 1 A 23 23 GLY HA3 H 23 4.029 4.230 -0.201 1
1 138 . 5 1 1 A 24 24 GLN H H 24 8.497 8.444 0.053 1
1 139 . 5 1 1 A 24 24 GLN HA H 24 4.064 4.293 -0.229 1
1 146 . 5 1 1 A 25 25 GLY H H 25 8.442 8.724 -0.282 1
1 147 . 5 1 1 A 25 25 GLY HA2 H 25 3.656 3.998 -0.342 1
1 148 . 5 1 1 A 25 25 GLY HA3 H 25 4.283 3.998 0.285 1
1 149 . 5 1 1 A 26 26 ASN H H 26 8.073 7.731 0.342 1
1 150 . 5 1 1 A 26 26 ASN HA H 26 5.526 5.429 0.097 1
1 155 . 5 1 1 A 27 27 LYS H H 27 9.317 9.099 0.218 1
1 156 . 5 1 1 A 27 27 LYS HA H 27 4.460 4.682 -0.222 1
1 165 . 5 1 1 A 28 28 CYS H H 28 9.111 9.342 -0.231 1
1 166 . 5 1 1 A 28 28 CYS HA H 28 5.393 5.551 -0.158 1
1 169 . 5 1 1 A 29 29 ILE H H 29 9.859 9.217 0.642 1
1 170 . 5 1 1 A 29 29 ILE HA H 29 4.325 4.919 -0.594 1
1 180 . 5 1 1 A 30 30 LEU H H 30 8.364 8.531 -0.167 1
1 181 . 5 1 1 A 30 30 LEU HA H 30 4.178 4.907 -0.729 1
1 191 . 5 1 1 A 31 31 GLY H H 31 9.013 8.346 0.667 1
1 192 . 5 1 1 A 31 31 GLY HA2 H 31 3.417 4.022 -0.605 1
1 193 . 5 1 1 A 31 31 GLY HA3 H 31 3.888 4.022 -0.134 1
1 194 . 5 1 1 A 32 32 ARG H H 32 8.113 8.311 -0.198 1
1 195 . 5 1 1 A 32 32 ARG HA H 32 4.511 4.890 -0.379 1
1 203 . 5 1 1 A 33 33 GLY H H 33 8.454 8.494 -0.040 1
1 204 . 5 1 1 A 33 33 GLY HA2 H 33 4.432 3.971 0.461 1
1 205 . 5 1 1 A 33 33 GLY HA3 H 33 3.806 3.972 -0.166 1
1 206 . 5 1 1 A 34 34 ASP H H 34 8.140 8.691 -0.551 1
1 207 . 5 1 1 A 34 34 ASP HA H 34 4.584 4.669 -0.085 1
1 210 . 5 1 1 A 35 35 SER H H 35 7.982 7.828 0.154 1
1 211 . 5 1 1 A 35 35 SER HA H 35 4.555 4.923 -0.368 1
1 214 . 5 1 1 A 36 36 LYS H H 36 8.213 8.073 0.140 1
1 215 . 5 1 1 A 36 36 LYS HA H 36 4.571 4.090 0.481 1
1 224 . 5 1 1 A 37 37 ASN H H 37 8.347 7.803 0.544 1
1 225 . 5 1 1 A 37 37 ASN HA H 37 4.618 5.012 -0.394 1
1 230 . 5 1 1 A 38 38 GLN H H 38 8.527 9.193 -0.666 1
1 231 . 5 1 1 A 38 38 GLN HA H 38 4.764 4.922 -0.158 1
1 238 . 5 1 1 A 39 39 CYS H H 39 10.318 8.732 1.586 1
1 239 . 5 1 1 A 39 39 CYS HA H 39 5.437 4.822 0.615 1
1 242 . 5 1 1 A 40 40 VAL H H 40 9.267 8.792 0.475 1
1 243 . 5 1 1 A 40 40 VAL HA H 40 4.904 4.421 0.483 1
1 251 . 5 1 1 A 41 41 THR H H 41 8.282 8.516 -0.234 1
1 252 . 5 1 1 A 41 41 THR HA H 41 4.470 4.846 -0.376 1
1 257 . 5 1 1 A 42 42 GLY H H 42 8.267 8.210 0.057 1
1 258 . 5 1 1 A 42 42 GLY HA2 H 42 3.687 4.227 -0.540 1
1 259 . 5 1 1 A 42 42 GLY HA3 H 42 4.125 4.228 -0.103 1
1 260 . 5 1 1 A 43 43 GLU H H 43 8.152 8.470 -0.318 1
1 261 . 5 1 1 A 43 43 GLU HA H 43 4.160 4.982 -0.822 1
1 266 . 5 1 1 A 44 44 GLY H H 44 7.853 8.641 -0.788 1
1 267 . 5 1 1 A 44 44 GLY HA2 H 44 4.582 4.071 0.511 1
1 268 . 5 1 1 A 44 44 GLY HA3 H 44 3.541 4.077 -0.536 1
1 269 . 5 1 1 A 45 45 THR H H 45 8.190 8.169 0.021 1
1 270 . 5 1 1 A 45 45 THR HA H 45 4.835 4.901 -0.066 1
1 275 . 5 1 1 A 46 46 PRO HA H 46 4.648 4.406 0.242 1
1 282 . 5 1 1 A 47 47 LYS H H 47 8.357 8.476 -0.119 1
1 283 . 5 1 1 A 47 47 LYS HA H 47 4.451 4.535 -0.084 1
1 292 . 5 1 1 A 48 48 PRO HA H 48 4.464 4.528 -0.064 1
1 299 . 5 1 1 A 49 49 GLN H H 49 8.579 8.338 0.241 1
1 300 . 5 1 1 A 49 49 GLN HA H 49 4.227 4.629 -0.402 1
1 307 . 5 1 1 A 50 50 SER H H 50 8.289 8.006 0.283 1
1 308 . 5 1 1 A 50 50 SER HA H 50 4.369 4.291 0.078 1
1 9 . 6 1 1 A 2 2 VAL H H 2 8.321 8.431 -0.110 1
1 10 . 6 1 1 A 2 2 VAL HA H 2 4.169 4.583 -0.414 1
1 18 . 6 1 1 A 3 3 TYR H H 3 8.329 9.042 -0.713 1
1 19 . 6 1 1 A 3 3 TYR HA H 3 4.998 5.311 -0.313 1
1 26 . 6 1 1 A 4 4 THR H H 4 9.053 9.097 -0.044 1
1 27 . 6 1 1 A 4 4 THR HA H 4 4.712 4.951 -0.239 1
1 32 . 6 1 1 A 5 5 ASP H H 5 8.700 8.478 0.222 1
1 33 . 6 1 1 A 5 5 ASP HA H 5 4.803 4.920 -0.117 1
1 36 . 6 1 1 A 6 6 CYS H H 6 8.947 8.917 0.030 1
1 37 . 6 1 1 A 6 6 CYS HA H 6 4.710 4.506 0.204 1
1 40 . 6 1 1 A 7 7 THR H H 7 9.504 8.871 0.633 1
1 41 . 6 1 1 A 7 7 THR HA H 7 4.448 4.606 -0.158 1
1 46 . 6 1 1 A 8 8 GLU H H 8 7.388 7.607 -0.219 1
1 47 . 6 1 1 A 8 8 GLU HA H 8 4.604 4.713 -0.109 1
1 52 . 6 1 1 A 9 9 SER H H 9 9.007 8.809 0.198 1
1 53 . 6 1 1 A 9 9 SER HA H 9 4.871 4.569 0.302 1
1 56 . 6 1 1 A 10 10 GLY H H 10 9.721 9.754 -0.033 1
1 57 . 6 1 1 A 10 10 GLY HA2 H 10 3.292 4.008 -0.716 1
1 58 . 6 1 1 A 10 10 GLY HA3 H 10 4.589 4.010 0.579 1
1 59 . 6 1 1 A 11 11 GLN H H 11 7.421 7.318 0.103 1
1 60 . 6 1 1 A 11 11 GLN HA H 11 5.277 4.895 0.382 1
1 67 . 6 1 1 A 12 12 ASN H H 12 8.211 8.493 -0.282 1
1 68 . 6 1 1 A 12 12 ASN HA H 12 4.548 4.771 -0.223 1
1 73 . 6 1 1 A 13 13 LEU H H 13 9.227 7.881 1.346 1
1 74 . 6 1 1 A 13 13 LEU HA H 13 3.297 4.365 -1.068 1
1 84 . 6 1 1 A 14 14 CYS H H 14 7.303 8.883 -1.580 1
1 85 . 6 1 1 A 14 14 CYS HA H 14 5.005 4.891 0.114 1
1 88 . 6 1 1 A 15 15 LEU H H 15 9.081 9.417 -0.336 1
1 89 . 6 1 1 A 15 15 LEU HA H 15 4.301 4.642 -0.341 1
1 99 . 6 1 1 A 16 16 CYS H H 16 7.460 8.846 -1.386 1
1 100 . 6 1 1 A 16 16 CYS HA H 16 4.779 4.509 0.270 1
1 103 . 6 1 1 A 17 17 GLU H H 17 8.673 8.008 0.665 1
1 104 . 6 1 1 A 17 17 GLU HA H 17 4.496 4.290 0.206 1
1 109 . 6 1 1 A 18 18 GLY H H 18 8.478 8.882 -0.404 1
1 110 . 6 1 1 A 18 18 GLY HA2 H 18 3.677 3.830 -0.153 1
1 111 . 6 1 1 A 18 18 GLY HA3 H 18 3.947 3.830 0.117 1
1 112 . 6 1 1 A 19 19 SER H H 19 8.696 8.438 0.258 1
1 113 . 6 1 1 A 19 19 SER HA H 19 4.414 4.667 -0.253 1
1 116 . 6 1 1 A 20 20 ASN H H 20 7.971 8.709 -0.738 1
1 117 . 6 1 1 A 20 20 ASN HA H 20 4.893 4.931 -0.038 1
1 122 . 6 1 1 A 21 21 VAL H H 21 9.070 8.851 0.219 1
1 123 . 6 1 1 A 21 21 VAL HA H 21 3.437 4.272 -0.835 1
1 131 . 6 1 1 A 22 22 CYS H H 22 8.466 8.348 0.118 1
1 132 . 6 1 1 A 22 22 CYS HA H 22 5.144 4.408 0.736 1
1 135 . 6 1 1 A 23 23 GLY H H 23 9.160 8.537 0.623 1
1 136 . 6 1 1 A 23 23 GLY HA2 H 23 3.861 4.107 -0.246 1
1 137 . 6 1 1 A 23 23 GLY HA3 H 23 4.029 4.171 -0.142 1
1 138 . 6 1 1 A 24 24 GLN H H 24 8.497 8.545 -0.048 1
1 139 . 6 1 1 A 24 24 GLN HA H 24 4.064 4.211 -0.147 1
1 146 . 6 1 1 A 25 25 GLY H H 25 8.442 8.778 -0.336 1
1 147 . 6 1 1 A 25 25 GLY HA2 H 25 3.656 3.997 -0.341 1
1 148 . 6 1 1 A 25 25 GLY HA3 H 25 4.283 3.997 0.286 1
1 149 . 6 1 1 A 26 26 ASN H H 26 8.073 7.593 0.480 1
1 150 . 6 1 1 A 26 26 ASN HA H 26 5.526 5.383 0.143 1
1 155 . 6 1 1 A 27 27 LYS H H 27 9.317 9.467 -0.150 1
1 156 . 6 1 1 A 27 27 LYS HA H 27 4.460 4.947 -0.487 1
1 165 . 6 1 1 A 28 28 CYS H H 28 9.111 9.403 -0.292 1
1 166 . 6 1 1 A 28 28 CYS HA H 28 5.393 5.469 -0.076 1
1 169 . 6 1 1 A 29 29 ILE H H 29 9.859 9.139 0.720 1
1 170 . 6 1 1 A 29 29 ILE HA H 29 4.325 4.928 -0.603 1
1 180 . 6 1 1 A 30 30 LEU H H 30 8.364 9.016 -0.652 1
1 181 . 6 1 1 A 30 30 LEU HA H 30 4.178 5.183 -1.005 1
1 191 . 6 1 1 A 31 31 GLY H H 31 9.013 8.411 0.602 1
1 192 . 6 1 1 A 31 31 GLY HA2 H 31 3.417 4.049 -0.632 1
1 193 . 6 1 1 A 31 31 GLY HA3 H 31 3.888 4.050 -0.162 1
1 194 . 6 1 1 A 32 32 ARG H H 32 8.113 8.535 -0.422 1
1 195 . 6 1 1 A 32 32 ARG HA H 32 4.511 4.856 -0.345 1
1 203 . 6 1 1 A 33 33 GLY H H 33 8.454 8.774 -0.320 1
1 204 . 6 1 1 A 33 33 GLY HA2 H 33 4.432 3.899 0.533 1
1 205 . 6 1 1 A 33 33 GLY HA3 H 33 3.806 3.899 -0.093 1
1 206 . 6 1 1 A 34 34 ASP H H 34 8.140 8.764 -0.624 1
1 207 . 6 1 1 A 34 34 ASP HA H 34 4.584 4.674 -0.090 1
1 210 . 6 1 1 A 35 35 SER H H 35 7.982 7.649 0.333 1
1 211 . 6 1 1 A 35 35 SER HA H 35 4.555 4.601 -0.046 1
1 214 . 6 1 1 A 36 36 LYS H H 36 8.213 8.068 0.145 1
1 215 . 6 1 1 A 36 36 LYS HA H 36 4.571 4.144 0.427 1
1 224 . 6 1 1 A 37 37 ASN H H 37 8.347 7.817 0.530 1
1 225 . 6 1 1 A 37 37 ASN HA H 37 4.618 5.073 -0.455 1
1 230 . 6 1 1 A 38 38 GLN H H 38 8.527 9.465 -0.938 1
1 231 . 6 1 1 A 38 38 GLN HA H 38 4.764 5.013 -0.249 1
1 238 . 6 1 1 A 39 39 CYS H H 39 10.318 8.649 1.669 1
1 239 . 6 1 1 A 39 39 CYS HA H 39 5.437 5.221 0.216 1
1 242 . 6 1 1 A 40 40 VAL H H 40 9.267 9.293 -0.026 1
1 243 . 6 1 1 A 40 40 VAL HA H 40 4.904 4.848 0.056 1
1 251 . 6 1 1 A 41 41 THR H H 41 8.282 8.543 -0.261 1
1 252 . 6 1 1 A 41 41 THR HA H 41 4.470 4.850 -0.380 1
1 257 . 6 1 1 A 42 42 GLY H H 42 8.267 8.160 0.107 1
1 258 . 6 1 1 A 42 42 GLY HA2 H 42 3.687 4.234 -0.547 1
1 259 . 6 1 1 A 42 42 GLY HA3 H 42 4.125 4.235 -0.110 1
1 260 . 6 1 1 A 43 43 GLU H H 43 8.152 8.823 -0.671 1
1 261 . 6 1 1 A 43 43 GLU HA H 43 4.160 5.308 -1.148 1
1 266 . 6 1 1 A 44 44 GLY H H 44 7.853 8.638 -0.785 1
1 267 . 6 1 1 A 44 44 GLY HA2 H 44 4.582 4.130 0.452 1
1 268 . 6 1 1 A 44 44 GLY HA3 H 44 3.541 4.136 -0.595 1
1 269 . 6 1 1 A 45 45 THR H H 45 8.190 8.241 -0.051 1
1 270 . 6 1 1 A 45 45 THR HA H 45 4.835 5.030 -0.195 1
1 275 . 6 1 1 A 46 46 PRO HA H 46 4.648 4.492 0.156 1
1 282 . 6 1 1 A 47 47 LYS H H 47 8.357 8.472 -0.115 1
1 283 . 6 1 1 A 47 47 LYS HA H 47 4.451 4.433 0.018 1
1 292 . 6 1 1 A 48 48 PRO HA H 48 4.464 4.501 -0.037 1
1 299 . 6 1 1 A 49 49 GLN H H 49 8.579 8.291 0.288 1
1 300 . 6 1 1 A 49 49 GLN HA H 49 4.227 4.570 -0.343 1
1 307 . 6 1 1 A 50 50 SER H H 50 8.289 7.699 0.590 1
1 308 . 6 1 1 A 50 50 SER HA H 50 4.369 4.287 0.082 1
1 9 . 7 1 1 A 2 2 VAL H H 2 8.321 8.841 -0.520 1
1 10 . 7 1 1 A 2 2 VAL HA H 2 4.169 4.507 -0.338 1
1 18 . 7 1 1 A 3 3 TYR H H 3 8.329 8.967 -0.638 1
1 19 . 7 1 1 A 3 3 TYR HA H 3 4.998 4.957 0.041 1
1 26 . 7 1 1 A 4 4 THR H H 4 9.053 8.939 0.114 1
1 27 . 7 1 1 A 4 4 THR HA H 4 4.712 4.996 -0.284 1
1 32 . 7 1 1 A 5 5 ASP H H 5 8.700 8.467 0.233 1
1 33 . 7 1 1 A 5 5 ASP HA H 5 4.803 4.837 -0.034 1
1 36 . 7 1 1 A 6 6 CYS H H 6 8.947 8.978 -0.031 1
1 37 . 7 1 1 A 6 6 CYS HA H 6 4.710 4.608 0.102 1
1 40 . 7 1 1 A 7 7 THR H H 7 9.504 9.043 0.461 1
1 41 . 7 1 1 A 7 7 THR HA H 7 4.448 4.467 -0.019 1
1 46 . 7 1 1 A 8 8 GLU H H 8 7.388 7.754 -0.366 1
1 47 . 7 1 1 A 8 8 GLU HA H 8 4.604 4.804 -0.200 1
1 52 . 7 1 1 A 9 9 SER H H 9 9.007 8.781 0.226 1
1 53 . 7 1 1 A 9 9 SER HA H 9 4.871 4.824 0.047 1
1 56 . 7 1 1 A 10 10 GLY H H 10 9.721 9.521 0.200 1
1 57 . 7 1 1 A 10 10 GLY HA2 H 10 3.292 3.986 -0.694 1
1 58 . 7 1 1 A 10 10 GLY HA3 H 10 4.589 3.988 0.601 1
1 59 . 7 1 1 A 11 11 GLN H H 11 7.421 7.327 0.094 1
1 60 . 7 1 1 A 11 11 GLN HA H 11 5.277 4.796 0.481 1
1 67 . 7 1 1 A 12 12 ASN H H 12 8.211 8.152 0.059 1
1 68 . 7 1 1 A 12 12 ASN HA H 12 4.548 4.977 -0.429 1
1 73 . 7 1 1 A 13 13 LEU H H 13 9.227 8.067 1.160 1
1 74 . 7 1 1 A 13 13 LEU HA H 13 3.297 4.855 -1.558 1
1 84 . 7 1 1 A 14 14 CYS H H 14 7.303 8.901 -1.598 1
1 85 . 7 1 1 A 14 14 CYS HA H 14 5.005 4.669 0.336 1
1 88 . 7 1 1 A 15 15 LEU H H 15 9.081 9.341 -0.260 1
1 89 . 7 1 1 A 15 15 LEU HA H 15 4.301 4.606 -0.305 1
1 99 . 7 1 1 A 16 16 CYS H H 16 7.460 8.622 -1.162 1
1 100 . 7 1 1 A 16 16 CYS HA H 16 4.779 4.498 0.281 1
1 103 . 7 1 1 A 17 17 GLU H H 17 8.673 8.070 0.603 1
1 104 . 7 1 1 A 17 17 GLU HA H 17 4.496 4.206 0.290 1
1 109 . 7 1 1 A 18 18 GLY H H 18 8.478 8.884 -0.406 1
1 110 . 7 1 1 A 18 18 GLY HA2 H 18 3.677 3.831 -0.154 1
1 111 . 7 1 1 A 18 18 GLY HA3 H 18 3.947 3.832 0.115 1
1 112 . 7 1 1 A 19 19 SER H H 19 8.696 8.591 0.105 1
1 113 . 7 1 1 A 19 19 SER HA H 19 4.414 4.536 -0.122 1
1 116 . 7 1 1 A 20 20 ASN H H 20 7.971 8.678 -0.707 1
1 117 . 7 1 1 A 20 20 ASN HA H 20 4.893 4.709 0.184 1
1 122 . 7 1 1 A 21 21 VAL H H 21 9.070 8.848 0.222 1
1 123 . 7 1 1 A 21 21 VAL HA H 21 3.437 4.253 -0.816 1
1 131 . 7 1 1 A 22 22 CYS H H 22 8.466 8.594 -0.128 1
1 132 . 7 1 1 A 22 22 CYS HA H 22 5.144 4.910 0.234 1
1 135 . 7 1 1 A 23 23 GLY H H 23 9.160 8.469 0.691 1
1 136 . 7 1 1 A 23 23 GLY HA2 H 23 3.861 4.187 -0.326 1
1 137 . 7 1 1 A 23 23 GLY HA3 H 23 4.029 4.231 -0.202 1
1 138 . 7 1 1 A 24 24 GLN H H 24 8.497 8.417 0.080 1
1 139 . 7 1 1 A 24 24 GLN HA H 24 4.064 4.211 -0.147 1
1 146 . 7 1 1 A 25 25 GLY H H 25 8.442 8.820 -0.378 1
1 147 . 7 1 1 A 25 25 GLY HA2 H 25 3.656 3.998 -0.342 1
1 148 . 7 1 1 A 25 25 GLY HA3 H 25 4.283 3.999 0.284 1
1 149 . 7 1 1 A 26 26 ASN H H 26 8.073 7.621 0.452 1
1 150 . 7 1 1 A 26 26 ASN HA H 26 5.526 5.281 0.245 1
1 155 . 7 1 1 A 27 27 LYS H H 27 9.317 9.648 -0.331 1
1 156 . 7 1 1 A 27 27 LYS HA H 27 4.460 4.890 -0.430 1
1 165 . 7 1 1 A 28 28 CYS H H 28 9.111 9.386 -0.275 1
1 166 . 7 1 1 A 28 28 CYS HA H 28 5.393 5.400 -0.007 1
1 169 . 7 1 1 A 29 29 ILE H H 29 9.859 9.185 0.674 1
1 170 . 7 1 1 A 29 29 ILE HA H 29 4.325 4.870 -0.545 1
1 180 . 7 1 1 A 30 30 LEU H H 30 8.364 8.782 -0.418 1
1 181 . 7 1 1 A 30 30 LEU HA H 30 4.178 5.031 -0.853 1
1 191 . 7 1 1 A 31 31 GLY H H 31 9.013 8.298 0.715 1
1 192 . 7 1 1 A 31 31 GLY HA2 H 31 3.417 4.024 -0.607 1
1 193 . 7 1 1 A 31 31 GLY HA3 H 31 3.888 4.025 -0.137 1
1 194 . 7 1 1 A 32 32 ARG H H 32 8.113 8.338 -0.225 1
1 195 . 7 1 1 A 32 32 ARG HA H 32 4.511 4.868 -0.357 1
1 203 . 7 1 1 A 33 33 GLY H H 33 8.454 8.670 -0.216 1
1 204 . 7 1 1 A 33 33 GLY HA2 H 33 4.432 3.900 0.532 1
1 205 . 7 1 1 A 33 33 GLY HA3 H 33 3.806 3.900 -0.094 1
1 206 . 7 1 1 A 34 34 ASP H H 34 8.140 8.902 -0.762 1
1 207 . 7 1 1 A 34 34 ASP HA H 34 4.584 4.627 -0.043 1
1 210 . 7 1 1 A 35 35 SER H H 35 7.982 7.531 0.451 1
1 211 . 7 1 1 A 35 35 SER HA H 35 4.555 4.578 -0.023 1
1 214 . 7 1 1 A 36 36 LYS H H 36 8.213 8.034 0.179 1
1 215 . 7 1 1 A 36 36 LYS HA H 36 4.571 4.101 0.470 1
1 224 . 7 1 1 A 37 37 ASN H H 37 8.347 7.895 0.452 1
1 225 . 7 1 1 A 37 37 ASN HA H 37 4.618 5.084 -0.466 1
1 230 . 7 1 1 A 38 38 GLN H H 38 8.527 9.074 -0.547 1
1 231 . 7 1 1 A 38 38 GLN HA H 38 4.764 5.014 -0.250 1
1 238 . 7 1 1 A 39 39 CYS H H 39 10.318 8.642 1.676 1
1 239 . 7 1 1 A 39 39 CYS HA H 39 5.437 4.972 0.465 1
1 242 . 7 1 1 A 40 40 VAL H H 40 9.267 8.882 0.385 1
1 243 . 7 1 1 A 40 40 VAL HA H 40 4.904 4.492 0.412 1
1 251 . 7 1 1 A 41 41 THR H H 41 8.282 8.533 -0.251 1
1 252 . 7 1 1 A 41 41 THR HA H 41 4.470 4.820 -0.350 1
1 257 . 7 1 1 A 42 42 GLY H H 42 8.267 8.185 0.082 1
1 258 . 7 1 1 A 42 42 GLY HA2 H 42 3.687 4.235 -0.548 1
1 259 . 7 1 1 A 42 42 GLY HA3 H 42 4.125 4.236 -0.111 1
1 260 . 7 1 1 A 43 43 GLU H H 43 8.152 8.816 -0.664 1
1 261 . 7 1 1 A 43 43 GLU HA H 43 4.160 5.098 -0.938 1
1 266 . 7 1 1 A 44 44 GLY H H 44 7.853 8.661 -0.808 1
1 267 . 7 1 1 A 44 44 GLY HA2 H 44 4.582 4.083 0.499 1
1 268 . 7 1 1 A 44 44 GLY HA3 H 44 3.541 4.089 -0.548 1
1 269 . 7 1 1 A 45 45 THR H H 45 8.190 8.104 0.086 1
1 270 . 7 1 1 A 45 45 THR HA H 45 4.835 4.861 -0.026 1
1 275 . 7 1 1 A 46 46 PRO HA H 46 4.648 4.465 0.183 1
1 282 . 7 1 1 A 47 47 LYS H H 47 8.357 8.450 -0.093 1
1 283 . 7 1 1 A 47 47 LYS HA H 47 4.451 4.681 -0.230 1
1 292 . 7 1 1 A 48 48 PRO HA H 48 4.464 4.595 -0.131 1
1 299 . 7 1 1 A 49 49 GLN H H 49 8.579 8.267 0.312 1
1 300 . 7 1 1 A 49 49 GLN HA H 49 4.227 4.562 -0.335 1
1 307 . 7 1 1 A 50 50 SER H H 50 8.289 8.262 0.027 1
1 308 . 7 1 1 A 50 50 SER HA H 50 4.369 4.473 -0.104 1
1 9 . 8 1 1 A 2 2 VAL H H 2 8.321 8.532 -0.211 1
1 10 . 8 1 1 A 2 2 VAL HA H 2 4.169 4.376 -0.207 1
1 18 . 8 1 1 A 3 3 TYR H H 3 8.329 8.812 -0.483 1
1 19 . 8 1 1 A 3 3 TYR HA H 3 4.998 4.988 0.010 1
1 26 . 8 1 1 A 4 4 THR H H 4 9.053 8.815 0.238 1
1 27 . 8 1 1 A 4 4 THR HA H 4 4.712 4.992 -0.280 1
1 32 . 8 1 1 A 5 5 ASP H H 5 8.700 8.492 0.208 1
1 33 . 8 1 1 A 5 5 ASP HA H 5 4.803 4.961 -0.158 1
1 36 . 8 1 1 A 6 6 CYS H H 6 8.947 8.440 0.507 1
1 37 . 8 1 1 A 6 6 CYS HA H 6 4.710 4.533 0.177 1
1 40 . 8 1 1 A 7 7 THR H H 7 9.504 9.049 0.455 1
1 41 . 8 1 1 A 7 7 THR HA H 7 4.448 4.492 -0.044 1
1 46 . 8 1 1 A 8 8 GLU H H 8 7.388 7.748 -0.360 1
1 47 . 8 1 1 A 8 8 GLU HA H 8 4.604 4.707 -0.103 1
1 52 . 8 1 1 A 9 9 SER H H 9 9.007 8.804 0.203 1
1 53 . 8 1 1 A 9 9 SER HA H 9 4.871 4.514 0.357 1
1 56 . 8 1 1 A 10 10 GLY H H 10 9.721 9.579 0.142 1
1 57 . 8 1 1 A 10 10 GLY HA2 H 10 3.292 3.999 -0.707 1
1 58 . 8 1 1 A 10 10 GLY HA3 H 10 4.589 4.000 0.589 1
1 59 . 8 1 1 A 11 11 GLN H H 11 7.421 7.308 0.113 1
1 60 . 8 1 1 A 11 11 GLN HA H 11 5.277 4.914 0.363 1
1 67 . 8 1 1 A 12 12 ASN H H 12 8.211 8.436 -0.225 1
1 68 . 8 1 1 A 12 12 ASN HA H 12 4.548 4.790 -0.242 1
1 73 . 8 1 1 A 13 13 LEU H H 13 9.227 7.978 1.249 1
1 74 . 8 1 1 A 13 13 LEU HA H 13 3.297 4.488 -1.191 1
1 84 . 8 1 1 A 14 14 CYS H H 14 7.303 9.025 -1.722 1
1 85 . 8 1 1 A 14 14 CYS HA H 14 5.005 4.777 0.228 1
1 88 . 8 1 1 A 15 15 LEU H H 15 9.081 9.440 -0.359 1
1 89 . 8 1 1 A 15 15 LEU HA H 15 4.301 4.463 -0.162 1
1 99 . 8 1 1 A 16 16 CYS H H 16 7.460 9.132 -1.672 1
1 100 . 8 1 1 A 16 16 CYS HA H 16 4.779 4.561 0.218 1
1 103 . 8 1 1 A 17 17 GLU H H 17 8.673 8.286 0.387 1
1 104 . 8 1 1 A 17 17 GLU HA H 17 4.496 4.284 0.212 1
1 109 . 8 1 1 A 18 18 GLY H H 18 8.478 8.701 -0.223 1
1 110 . 8 1 1 A 18 18 GLY HA2 H 18 3.677 3.850 -0.173 1
1 111 . 8 1 1 A 18 18 GLY HA3 H 18 3.947 3.850 0.097 1
1 112 . 8 1 1 A 19 19 SER H H 19 8.696 8.341 0.355 1
1 113 . 8 1 1 A 19 19 SER HA H 19 4.414 4.509 -0.095 1
1 116 . 8 1 1 A 20 20 ASN H H 20 7.971 7.934 0.037 1
1 117 . 8 1 1 A 20 20 ASN HA H 20 4.893 4.628 0.265 1
1 122 . 8 1 1 A 21 21 VAL H H 21 9.070 8.839 0.231 1
1 123 . 8 1 1 A 21 21 VAL HA H 21 3.437 4.328 -0.891 1
1 131 . 8 1 1 A 22 22 CYS H H 22 8.466 8.434 0.032 1
1 132 . 8 1 1 A 22 22 CYS HA H 22 5.144 4.550 0.594 1
1 135 . 8 1 1 A 23 23 GLY H H 23 9.160 8.527 0.633 1
1 136 . 8 1 1 A 23 23 GLY HA2 H 23 3.861 4.169 -0.308 1
1 137 . 8 1 1 A 23 23 GLY HA3 H 23 4.029 4.213 -0.184 1
1 138 . 8 1 1 A 24 24 GLN H H 24 8.497 8.466 0.031 1
1 139 . 8 1 1 A 24 24 GLN HA H 24 4.064 4.187 -0.123 1
1 146 . 8 1 1 A 25 25 GLY H H 25 8.442 8.942 -0.500 1
1 147 . 8 1 1 A 25 25 GLY HA2 H 25 3.656 3.964 -0.308 1
1 148 . 8 1 1 A 25 25 GLY HA3 H 25 4.283 3.964 0.319 1
1 149 . 8 1 1 A 26 26 ASN H H 26 8.073 7.570 0.503 1
1 150 . 8 1 1 A 26 26 ASN HA H 26 5.526 5.298 0.228 1
1 155 . 8 1 1 A 27 27 LYS H H 27 9.317 9.477 -0.160 1
1 156 . 8 1 1 A 27 27 LYS HA H 27 4.460 4.833 -0.373 1
1 165 . 8 1 1 A 28 28 CYS H H 28 9.111 9.491 -0.380 1
1 166 . 8 1 1 A 28 28 CYS HA H 28 5.393 5.403 -0.010 1
1 169 . 8 1 1 A 29 29 ILE H H 29 9.859 9.426 0.433 1
1 170 . 8 1 1 A 29 29 ILE HA H 29 4.325 4.828 -0.503 1
1 180 . 8 1 1 A 30 30 LEU H H 30 8.364 8.795 -0.431 1
1 181 . 8 1 1 A 30 30 LEU HA H 30 4.178 4.886 -0.708 1
1 191 . 8 1 1 A 31 31 GLY H H 31 9.013 7.843 1.170 1
1 192 . 8 1 1 A 31 31 GLY HA2 H 31 3.417 4.169 -0.752 1
1 193 . 8 1 1 A 31 31 GLY HA3 H 31 3.888 4.169 -0.281 1
1 194 . 8 1 1 A 32 32 ARG H H 32 8.113 8.235 -0.122 1
1 195 . 8 1 1 A 32 32 ARG HA H 32 4.511 4.750 -0.239 1
1 203 . 8 1 1 A 33 33 GLY H H 33 8.454 9.042 -0.588 1
1 204 . 8 1 1 A 33 33 GLY HA2 H 33 4.432 3.855 0.577 1
1 205 . 8 1 1 A 33 33 GLY HA3 H 33 3.806 3.855 -0.049 1
1 206 . 8 1 1 A 34 34 ASP H H 34 8.140 8.608 -0.468 1
1 207 . 8 1 1 A 34 34 ASP HA H 34 4.584 4.774 -0.190 1
1 210 . 8 1 1 A 35 35 SER H H 35 7.982 7.710 0.272 1
1 211 . 8 1 1 A 35 35 SER HA H 35 4.555 4.940 -0.385 1
1 214 . 8 1 1 A 36 36 LYS H H 36 8.213 8.556 -0.343 1
1 215 . 8 1 1 A 36 36 LYS HA H 36 4.571 4.681 -0.110 1
1 224 . 8 1 1 A 37 37 ASN H H 37 8.347 7.343 1.004 1
1 225 . 8 1 1 A 37 37 ASN HA H 37 4.618 4.990 -0.372 1
1 230 . 8 1 1 A 38 38 GLN H H 38 8.527 9.379 -0.852 1
1 231 . 8 1 1 A 38 38 GLN HA H 38 4.764 5.037 -0.273 1
1 238 . 8 1 1 A 39 39 CYS H H 39 10.318 8.810 1.508 1
1 239 . 8 1 1 A 39 39 CYS HA H 39 5.437 5.119 0.318 1
1 242 . 8 1 1 A 40 40 VAL H H 40 9.267 9.169 0.098 1
1 243 . 8 1 1 A 40 40 VAL HA H 40 4.904 4.817 0.087 1
1 251 . 8 1 1 A 41 41 THR H H 41 8.282 8.444 -0.162 1
1 252 . 8 1 1 A 41 41 THR HA H 41 4.470 4.768 -0.298 1
1 257 . 8 1 1 A 42 42 GLY H H 42 8.267 8.213 0.054 1
1 258 . 8 1 1 A 42 42 GLY HA2 H 42 3.687 4.217 -0.530 1
1 259 . 8 1 1 A 42 42 GLY HA3 H 42 4.125 4.218 -0.093 1
1 260 . 8 1 1 A 43 43 GLU H H 43 8.152 8.505 -0.353 1
1 261 . 8 1 1 A 43 43 GLU HA H 43 4.160 5.064 -0.904 1
1 266 . 8 1 1 A 44 44 GLY H H 44 7.853 8.556 -0.703 1
1 267 . 8 1 1 A 44 44 GLY HA2 H 44 4.582 4.071 0.511 1
1 268 . 8 1 1 A 44 44 GLY HA3 H 44 3.541 4.077 -0.536 1
1 269 . 8 1 1 A 45 45 THR H H 45 8.190 8.253 -0.063 1
1 270 . 8 1 1 A 45 45 THR HA H 45 4.835 4.815 0.020 1
1 275 . 8 1 1 A 46 46 PRO HA H 46 4.648 4.460 0.188 1
1 282 . 8 1 1 A 47 47 LYS H H 47 8.357 8.450 -0.093 1
1 283 . 8 1 1 A 47 47 LYS HA H 47 4.451 4.577 -0.126 1
1 292 . 8 1 1 A 48 48 PRO HA H 48 4.464 4.564 -0.100 1
1 299 . 8 1 1 A 49 49 GLN H H 49 8.579 8.250 0.329 1
1 300 . 8 1 1 A 49 49 GLN HA H 49 4.227 4.571 -0.344 1
1 307 . 8 1 1 A 50 50 SER H H 50 8.289 7.851 0.438 1
1 308 . 8 1 1 A 50 50 SER HA H 50 4.369 4.317 0.052 1
1 9 . 9 1 1 A 2 2 VAL H H 2 8.321 9.089 -0.768 1
1 10 . 9 1 1 A 2 2 VAL HA H 2 4.169 4.425 -0.256 1
1 18 . 9 1 1 A 3 3 TYR H H 3 8.329 8.914 -0.585 1
1 19 . 9 1 1 A 3 3 TYR HA H 3 4.998 4.944 0.054 1
1 26 . 9 1 1 A 4 4 THR H H 4 9.053 8.748 0.305 1
1 27 . 9 1 1 A 4 4 THR HA H 4 4.712 5.115 -0.403 1
1 32 . 9 1 1 A 5 5 ASP H H 5 8.700 8.573 0.127 1
1 33 . 9 1 1 A 5 5 ASP HA H 5 4.803 4.885 -0.082 1
1 36 . 9 1 1 A 6 6 CYS H H 6 8.947 8.976 -0.029 1
1 37 . 9 1 1 A 6 6 CYS HA H 6 4.710 4.573 0.137 1
1 40 . 9 1 1 A 7 7 THR H H 7 9.504 9.107 0.397 1
1 41 . 9 1 1 A 7 7 THR HA H 7 4.448 4.466 -0.018 1
1 46 . 9 1 1 A 8 8 GLU H H 8 7.388 7.641 -0.253 1
1 47 . 9 1 1 A 8 8 GLU HA H 8 4.604 4.672 -0.068 1
1 52 . 9 1 1 A 9 9 SER H H 9 9.007 8.811 0.196 1
1 53 . 9 1 1 A 9 9 SER HA H 9 4.871 4.506 0.365 1
1 56 . 9 1 1 A 10 10 GLY H H 10 9.721 9.758 -0.037 1
1 57 . 9 1 1 A 10 10 GLY HA2 H 10 3.292 4.012 -0.720 1
1 58 . 9 1 1 A 10 10 GLY HA3 H 10 4.589 4.013 0.576 1
1 59 . 9 1 1 A 11 11 GLN H H 11 7.421 7.741 -0.320 1
1 60 . 9 1 1 A 11 11 GLN HA H 11 5.277 4.818 0.459 1
1 67 . 9 1 1 A 12 12 ASN H H 12 8.211 8.743 -0.532 1
1 68 . 9 1 1 A 12 12 ASN HA H 12 4.548 4.832 -0.284 1
1 73 . 9 1 1 A 13 13 LEU H H 13 9.227 8.008 1.219 1
1 74 . 9 1 1 A 13 13 LEU HA H 13 3.297 5.101 -1.804 1
1 84 . 9 1 1 A 14 14 CYS H H 14 7.303 9.137 -1.834 1
1 85 . 9 1 1 A 14 14 CYS HA H 14 5.005 4.969 0.036 1
1 88 . 9 1 1 A 15 15 LEU H H 15 9.081 9.004 0.077 1
1 89 . 9 1 1 A 15 15 LEU HA H 15 4.301 4.640 -0.339 1
1 99 . 9 1 1 A 16 16 CYS H H 16 7.460 8.252 -0.792 1
1 100 . 9 1 1 A 16 16 CYS HA H 16 4.779 4.293 0.486 1
1 103 . 9 1 1 A 17 17 GLU H H 17 8.673 8.045 0.628 1
1 104 . 9 1 1 A 17 17 GLU HA H 17 4.496 4.333 0.163 1
1 109 . 9 1 1 A 18 18 GLY H H 18 8.478 8.882 -0.404 1
1 110 . 9 1 1 A 18 18 GLY HA2 H 18 3.677 3.839 -0.162 1
1 111 . 9 1 1 A 18 18 GLY HA3 H 18 3.947 3.841 0.106 1
1 112 . 9 1 1 A 19 19 SER H H 19 8.696 8.548 0.148 1
1 113 . 9 1 1 A 19 19 SER HA H 19 4.414 4.521 -0.107 1
1 116 . 9 1 1 A 20 20 ASN H H 20 7.971 8.658 -0.687 1
1 117 . 9 1 1 A 20 20 ASN HA H 20 4.893 4.858 0.035 1
1 122 . 9 1 1 A 21 21 VAL H H 21 9.070 8.482 0.588 1
1 123 . 9 1 1 A 21 21 VAL HA H 21 3.437 4.659 -1.222 1
1 131 . 9 1 1 A 22 22 CYS H H 22 8.466 8.313 0.153 1
1 132 . 9 1 1 A 22 22 CYS HA H 22 5.144 4.531 0.613 1
1 135 . 9 1 1 A 23 23 GLY H H 23 9.160 8.519 0.641 1
1 136 . 9 1 1 A 23 23 GLY HA2 H 23 3.861 4.204 -0.343 1
1 137 . 9 1 1 A 23 23 GLY HA3 H 23 4.029 4.211 -0.182 1
1 138 . 9 1 1 A 24 24 GLN H H 24 8.497 8.577 -0.080 1
1 139 . 9 1 1 A 24 24 GLN HA H 24 4.064 4.373 -0.309 1
1 146 . 9 1 1 A 25 25 GLY H H 25 8.442 8.819 -0.377 1
1 147 . 9 1 1 A 25 25 GLY HA2 H 25 3.656 4.012 -0.356 1
1 148 . 9 1 1 A 25 25 GLY HA3 H 25 4.283 4.013 0.270 1
1 149 . 9 1 1 A 26 26 ASN H H 26 8.073 7.519 0.554 1
1 150 . 9 1 1 A 26 26 ASN HA H 26 5.526 5.335 0.191 1
1 155 . 9 1 1 A 27 27 LYS H H 27 9.317 9.335 -0.018 1
1 156 . 9 1 1 A 27 27 LYS HA H 27 4.460 4.804 -0.344 1
1 165 . 9 1 1 A 28 28 CYS H H 28 9.111 9.748 -0.637 1
1 166 . 9 1 1 A 28 28 CYS HA H 28 5.393 5.537 -0.144 1
1 169 . 9 1 1 A 29 29 ILE H H 29 9.859 9.227 0.632 1
1 170 . 9 1 1 A 29 29 ILE HA H 29 4.325 4.935 -0.610 1
1 180 . 9 1 1 A 30 30 LEU H H 30 8.364 8.907 -0.543 1
1 181 . 9 1 1 A 30 30 LEU HA H 30 4.178 4.966 -0.788 1
1 191 . 9 1 1 A 31 31 GLY H H 31 9.013 8.857 0.156 1
1 192 . 9 1 1 A 31 31 GLY HA2 H 31 3.417 3.993 -0.576 1
1 193 . 9 1 1 A 31 31 GLY HA3 H 31 3.888 3.994 -0.106 1
1 194 . 9 1 1 A 32 32 ARG H H 32 8.113 8.113 0.000 1
1 195 . 9 1 1 A 32 32 ARG HA H 32 4.511 4.559 -0.048 1
1 203 . 9 1 1 A 33 33 GLY H H 33 8.454 8.968 -0.514 1
1 204 . 9 1 1 A 33 33 GLY HA2 H 33 4.432 3.858 0.574 1
1 205 . 9 1 1 A 33 33 GLY HA3 H 33 3.806 3.858 -0.052 1
1 206 . 9 1 1 A 34 34 ASP H H 34 8.140 8.690 -0.550 1
1 207 . 9 1 1 A 34 34 ASP HA H 34 4.584 4.706 -0.122 1
1 210 . 9 1 1 A 35 35 SER H H 35 7.982 7.518 0.464 1
1 211 . 9 1 1 A 35 35 SER HA H 35 4.555 4.548 0.007 1
1 214 . 9 1 1 A 36 36 LYS H H 36 8.213 8.793 -0.580 1
1 215 . 9 1 1 A 36 36 LYS HA H 36 4.571 4.646 -0.075 1
1 224 . 9 1 1 A 37 37 ASN H H 37 8.347 7.927 0.420 1
1 225 . 9 1 1 A 37 37 ASN HA H 37 4.618 4.976 -0.358 1
1 230 . 9 1 1 A 38 38 GLN H H 38 8.527 9.071 -0.544 1
1 231 . 9 1 1 A 38 38 GLN HA H 38 4.764 4.972 -0.208 1
1 238 . 9 1 1 A 39 39 CYS H H 39 10.318 8.699 1.619 1
1 239 . 9 1 1 A 39 39 CYS HA H 39 5.437 5.162 0.275 1
1 242 . 9 1 1 A 40 40 VAL H H 40 9.267 9.152 0.115 1
1 243 . 9 1 1 A 40 40 VAL HA H 40 4.904 4.675 0.229 1
1 251 . 9 1 1 A 41 41 THR H H 41 8.282 8.513 -0.231 1
1 252 . 9 1 1 A 41 41 THR HA H 41 4.470 4.805 -0.335 1
1 257 . 9 1 1 A 42 42 GLY H H 42 8.267 8.341 -0.074 1
1 258 . 9 1 1 A 42 42 GLY HA2 H 42 3.687 4.252 -0.565 1
1 259 . 9 1 1 A 42 42 GLY HA3 H 42 4.125 4.252 -0.127 1
1 260 . 9 1 1 A 43 43 GLU H H 43 8.152 8.788 -0.636 1
1 261 . 9 1 1 A 43 43 GLU HA H 43 4.160 5.147 -0.987 1
1 266 . 9 1 1 A 44 44 GLY H H 44 7.853 9.123 -1.270 1
1 267 . 9 1 1 A 44 44 GLY HA2 H 44 4.582 4.122 0.460 1
1 268 . 9 1 1 A 44 44 GLY HA3 H 44 3.541 4.124 -0.583 1
1 269 . 9 1 1 A 45 45 THR H H 45 8.190 8.316 -0.126 1
1 270 . 9 1 1 A 45 45 THR HA H 45 4.835 4.926 -0.091 1
1 275 . 9 1 1 A 46 46 PRO HA H 46 4.648 4.526 0.122 1
1 282 . 9 1 1 A 47 47 LYS H H 47 8.357 8.458 -0.101 1
1 283 . 9 1 1 A 47 47 LYS HA H 47 4.451 4.689 -0.238 1
1 292 . 9 1 1 A 48 48 PRO HA H 48 4.464 4.753 -0.289 1
1 299 . 9 1 1 A 49 49 GLN H H 49 8.579 8.448 0.131 1
1 300 . 9 1 1 A 49 49 GLN HA H 49 4.227 4.476 -0.249 1
1 307 . 9 1 1 A 50 50 SER H H 50 8.289 7.598 0.691 1
1 308 . 9 1 1 A 50 50 SER HA H 50 4.369 4.635 -0.266 1
1 9 . 10 1 1 A 2 2 VAL H H 2 8.321 8.403 -0.082 1
1 10 . 10 1 1 A 2 2 VAL HA H 2 4.169 4.920 -0.751 1
1 18 . 10 1 1 A 3 3 TYR H H 3 8.329 8.897 -0.568 1
1 19 . 10 1 1 A 3 3 TYR HA H 3 4.998 5.243 -0.245 1
1 26 . 10 1 1 A 4 4 THR H H 4 9.053 9.109 -0.056 1
1 27 . 10 1 1 A 4 4 THR HA H 4 4.712 5.180 -0.468 1
1 32 . 10 1 1 A 5 5 ASP H H 5 8.700 8.561 0.139 1
1 33 . 10 1 1 A 5 5 ASP HA H 5 4.803 4.888 -0.085 1
1 36 . 10 1 1 A 6 6 CYS H H 6 8.947 8.964 -0.017 1
1 37 . 10 1 1 A 6 6 CYS HA H 6 4.710 4.560 0.150 1
1 40 . 10 1 1 A 7 7 THR H H 7 9.504 9.037 0.467 1
1 41 . 10 1 1 A 7 7 THR HA H 7 4.448 4.498 -0.050 1
1 46 . 10 1 1 A 8 8 GLU H H 8 7.388 7.789 -0.401 1
1 47 . 10 1 1 A 8 8 GLU HA H 8 4.604 4.752 -0.148 1
1 52 . 10 1 1 A 9 9 SER H H 9 9.007 8.796 0.211 1
1 53 . 10 1 1 A 9 9 SER HA H 9 4.871 4.537 0.334 1
1 56 . 10 1 1 A 10 10 GLY H H 10 9.721 9.516 0.205 1
1 57 . 10 1 1 A 10 10 GLY HA2 H 10 3.292 4.008 -0.716 1
1 58 . 10 1 1 A 10 10 GLY HA3 H 10 4.589 4.009 0.580 1
1 59 . 10 1 1 A 11 11 GLN H H 11 7.421 7.282 0.139 1
1 60 . 10 1 1 A 11 11 GLN HA H 11 5.277 4.956 0.321 1
1 67 . 10 1 1 A 12 12 ASN H H 12 8.211 8.499 -0.288 1
1 68 . 10 1 1 A 12 12 ASN HA H 12 4.548 4.838 -0.290 1
1 73 . 10 1 1 A 13 13 LEU H H 13 9.227 8.053 1.174 1
1 74 . 10 1 1 A 13 13 LEU HA H 13 3.297 4.975 -1.678 1
1 84 . 10 1 1 A 14 14 CYS H H 14 7.303 9.143 -1.840 1
1 85 . 10 1 1 A 14 14 CYS HA H 14 5.005 4.921 0.084 1
1 88 . 10 1 1 A 15 15 LEU H H 15 9.081 8.699 0.382 1
1 89 . 10 1 1 A 15 15 LEU HA H 15 4.301 4.514 -0.213 1
1 99 . 10 1 1 A 16 16 CYS H H 16 7.460 8.398 -0.938 1
1 100 . 10 1 1 A 16 16 CYS HA H 16 4.779 4.315 0.464 1
1 103 . 10 1 1 A 17 17 GLU H H 17 8.673 7.997 0.676 1
1 104 . 10 1 1 A 17 17 GLU HA H 17 4.496 4.259 0.237 1
1 109 . 10 1 1 A 18 18 GLY H H 18 8.478 8.880 -0.402 1
1 110 . 10 1 1 A 18 18 GLY HA2 H 18 3.677 3.851 -0.174 1
1 111 . 10 1 1 A 18 18 GLY HA3 H 18 3.947 3.853 0.094 1
1 112 . 10 1 1 A 19 19 SER H H 19 8.696 8.476 0.220 1
1 113 . 10 1 1 A 19 19 SER HA H 19 4.414 4.519 -0.105 1
1 116 . 10 1 1 A 20 20 ASN H H 20 7.971 7.897 0.074 1
1 117 . 10 1 1 A 20 20 ASN HA H 20 4.893 4.623 0.270 1
1 122 . 10 1 1 A 21 21 VAL H H 21 9.070 8.611 0.459 1
1 123 . 10 1 1 A 21 21 VAL HA H 21 3.437 4.468 -1.031 1
1 131 . 10 1 1 A 22 22 CYS H H 22 8.466 8.314 0.152 1
1 132 . 10 1 1 A 22 22 CYS HA H 22 5.144 4.324 0.820 1
1 135 . 10 1 1 A 23 23 GLY H H 23 9.160 8.460 0.700 1
1 136 . 10 1 1 A 23 23 GLY HA2 H 23 3.861 4.242 -0.381 1
1 137 . 10 1 1 A 23 23 GLY HA3 H 23 4.029 4.256 -0.227 1
1 138 . 10 1 1 A 24 24 GLN H H 24 8.497 8.508 -0.011 1
1 139 . 10 1 1 A 24 24 GLN HA H 24 4.064 4.305 -0.241 1
1 146 . 10 1 1 A 25 25 GLY H H 25 8.442 8.831 -0.389 1
1 147 . 10 1 1 A 25 25 GLY HA2 H 25 3.656 4.005 -0.349 1
1 148 . 10 1 1 A 25 25 GLY HA3 H 25 4.283 4.005 0.278 1
1 149 . 10 1 1 A 26 26 ASN H H 26 8.073 7.575 0.498 1
1 150 . 10 1 1 A 26 26 ASN HA H 26 5.526 5.328 0.198 1
1 155 . 10 1 1 A 27 27 LYS H H 27 9.317 9.273 0.044 1
1 156 . 10 1 1 A 27 27 LYS HA H 27 4.460 4.709 -0.249 1
1 165 . 10 1 1 A 28 28 CYS H H 28 9.111 9.633 -0.522 1
1 166 . 10 1 1 A 28 28 CYS HA H 28 5.393 5.412 -0.019 1
1 169 . 10 1 1 A 29 29 ILE H H 29 9.859 8.972 0.887 1
1 170 . 10 1 1 A 29 29 ILE HA H 29 4.325 4.948 -0.623 1
1 180 . 10 1 1 A 30 30 LEU H H 30 8.364 8.918 -0.554 1
1 181 . 10 1 1 A 30 30 LEU HA H 30 4.178 5.295 -1.117 1
1 191 . 10 1 1 A 31 31 GLY H H 31 9.013 8.669 0.344 1
1 192 . 10 1 1 A 31 31 GLY HA2 H 31 3.417 4.016 -0.599 1
1 193 . 10 1 1 A 31 31 GLY HA3 H 31 3.888 4.016 -0.128 1
1 194 . 10 1 1 A 32 32 ARG H H 32 8.113 7.947 0.166 1
1 195 . 10 1 1 A 32 32 ARG HA H 32 4.511 4.604 -0.093 1
1 203 . 10 1 1 A 33 33 GLY H H 33 8.454 8.890 -0.436 1
1 204 . 10 1 1 A 33 33 GLY HA2 H 33 4.432 3.865 0.567 1
1 205 . 10 1 1 A 33 33 GLY HA3 H 33 3.806 3.865 -0.059 1
1 206 . 10 1 1 A 34 34 ASP H H 34 8.140 8.690 -0.550 1
1 207 . 10 1 1 A 34 34 ASP HA H 34 4.584 4.718 -0.134 1
1 210 . 10 1 1 A 35 35 SER H H 35 7.982 7.732 0.250 1
1 211 . 10 1 1 A 35 35 SER HA H 35 4.555 4.731 -0.176 1
1 214 . 10 1 1 A 36 36 LYS H H 36 8.213 9.096 -0.883 1
1 215 . 10 1 1 A 36 36 LYS HA H 36 4.571 4.631 -0.060 1
1 224 . 10 1 1 A 37 37 ASN H H 37 8.347 7.969 0.378 1
1 225 . 10 1 1 A 37 37 ASN HA H 37 4.618 5.083 -0.465 1
1 230 . 10 1 1 A 38 38 GLN H H 38 8.527 8.566 -0.039 1
1 231 . 10 1 1 A 38 38 GLN HA H 38 4.764 4.919 -0.155 1
1 238 . 10 1 1 A 39 39 CYS H H 39 10.318 8.602 1.716 1
1 239 . 10 1 1 A 39 39 CYS HA H 39 5.437 4.866 0.571 1
1 242 . 10 1 1 A 40 40 VAL H H 40 9.267 8.698 0.569 1
1 243 . 10 1 1 A 40 40 VAL HA H 40 4.904 4.452 0.452 1
1 251 . 10 1 1 A 41 41 THR H H 41 8.282 8.528 -0.246 1
1 252 . 10 1 1 A 41 41 THR HA H 41 4.470 4.792 -0.322 1
1 257 . 10 1 1 A 42 42 GLY H H 42 8.267 8.079 0.188 1
1 258 . 10 1 1 A 42 42 GLY HA2 H 42 3.687 4.226 -0.539 1
1 259 . 10 1 1 A 42 42 GLY HA3 H 42 4.125 4.227 -0.102 1
1 260 . 10 1 1 A 43 43 GLU H H 43 8.152 8.803 -0.651 1
1 261 . 10 1 1 A 43 43 GLU HA H 43 4.160 5.119 -0.959 1
1 266 . 10 1 1 A 44 44 GLY H H 44 7.853 8.523 -0.670 1
1 267 . 10 1 1 A 44 44 GLY HA2 H 44 4.582 4.098 0.484 1
1 268 . 10 1 1 A 44 44 GLY HA3 H 44 3.541 4.100 -0.559 1
1 269 . 10 1 1 A 45 45 THR H H 45 8.190 8.224 -0.034 1
1 270 . 10 1 1 A 45 45 THR HA H 45 4.835 4.930 -0.095 1
1 275 . 10 1 1 A 46 46 PRO HA H 46 4.648 4.527 0.121 1
1 282 . 10 1 1 A 47 47 LYS H H 47 8.357 8.482 -0.125 1
1 283 . 10 1 1 A 47 47 LYS HA H 47 4.451 4.524 -0.073 1
1 292 . 10 1 1 A 48 48 PRO HA H 48 4.464 3.894 0.570 1
1 299 . 10 1 1 A 49 49 GLN H H 49 8.579 8.028 0.551 1
1 300 . 10 1 1 A 49 49 GLN HA H 49 4.227 4.366 -0.139 1
1 307 . 10 1 1 A 50 50 SER H H 50 8.289 7.942 0.347 1
1 308 . 10 1 1 A 50 50 SER HA H 50 4.369 4.634 -0.265 1
1 9 . 11 1 1 A 2 2 VAL H H 2 8.321 9.195 -0.874 1
1 10 . 11 1 1 A 2 2 VAL HA H 2 4.169 4.443 -0.274 1
1 18 . 11 1 1 A 3 3 TYR H H 3 8.329 8.758 -0.429 1
1 19 . 11 1 1 A 3 3 TYR HA H 3 4.998 4.953 0.045 1
1 26 . 11 1 1 A 4 4 THR H H 4 9.053 8.762 0.291 1
1 27 . 11 1 1 A 4 4 THR HA H 4 4.712 4.967 -0.255 1
1 32 . 11 1 1 A 5 5 ASP H H 5 8.700 8.579 0.121 1
1 33 . 11 1 1 A 5 5 ASP HA H 5 4.803 4.850 -0.047 1
1 36 . 11 1 1 A 6 6 CYS H H 6 8.947 8.922 0.025 1
1 37 . 11 1 1 A 6 6 CYS HA H 6 4.710 4.481 0.229 1
1 40 . 11 1 1 A 7 7 THR H H 7 9.504 9.046 0.458 1
1 41 . 11 1 1 A 7 7 THR HA H 7 4.448 4.444 0.004 1
1 46 . 11 1 1 A 8 8 GLU H H 8 7.388 7.832 -0.444 1
1 47 . 11 1 1 A 8 8 GLU HA H 8 4.604 4.661 -0.057 1
1 52 . 11 1 1 A 9 9 SER H H 9 9.007 8.781 0.226 1
1 53 . 11 1 1 A 9 9 SER HA H 9 4.871 4.503 0.368 1
1 56 . 11 1 1 A 10 10 GLY H H 10 9.721 9.421 0.300 1
1 57 . 11 1 1 A 10 10 GLY HA2 H 10 3.292 4.009 -0.717 1
1 58 . 11 1 1 A 10 10 GLY HA3 H 10 4.589 4.011 0.578 1
1 59 . 11 1 1 A 11 11 GLN H H 11 7.421 7.684 -0.263 1
1 60 . 11 1 1 A 11 11 GLN HA H 11 5.277 4.967 0.310 1
1 67 . 11 1 1 A 12 12 ASN H H 12 8.211 8.608 -0.397 1
1 68 . 11 1 1 A 12 12 ASN HA H 12 4.548 4.774 -0.226 1
1 73 . 11 1 1 A 13 13 LEU H H 13 9.227 8.012 1.215 1
1 74 . 11 1 1 A 13 13 LEU HA H 13 3.297 4.917 -1.620 1
1 84 . 11 1 1 A 14 14 CYS H H 14 7.303 8.925 -1.622 1
1 85 . 11 1 1 A 14 14 CYS HA H 14 5.005 4.628 0.377 1
1 88 . 11 1 1 A 15 15 LEU H H 15 9.081 9.110 -0.029 1
1 89 . 11 1 1 A 15 15 LEU HA H 15 4.301 4.482 -0.181 1
1 99 . 11 1 1 A 16 16 CYS H H 16 7.460 8.216 -0.756 1
1 100 . 11 1 1 A 16 16 CYS HA H 16 4.779 4.271 0.508 1
1 103 . 11 1 1 A 17 17 GLU H H 17 8.673 7.671 1.002 1
1 104 . 11 1 1 A 17 17 GLU HA H 17 4.496 4.241 0.255 1
1 109 . 11 1 1 A 18 18 GLY H H 18 8.478 8.884 -0.406 1
1 110 . 11 1 1 A 18 18 GLY HA2 H 18 3.677 3.748 -0.071 1
1 111 . 11 1 1 A 18 18 GLY HA3 H 18 3.947 3.748 0.199 1
1 112 . 11 1 1 A 19 19 SER H H 19 8.696 7.857 0.839 1
1 113 . 11 1 1 A 19 19 SER HA H 19 4.414 4.594 -0.180 1
1 116 . 11 1 1 A 20 20 ASN H H 20 7.971 7.831 0.140 1
1 117 . 11 1 1 A 20 20 ASN HA H 20 4.893 4.880 0.013 1
1 122 . 11 1 1 A 21 21 VAL H H 21 9.070 8.652 0.418 1
1 123 . 11 1 1 A 21 21 VAL HA H 21 3.437 4.534 -1.097 1
1 131 . 11 1 1 A 22 22 CYS H H 22 8.466 8.238 0.228 1
1 132 . 11 1 1 A 22 22 CYS HA H 22 5.144 4.473 0.671 1
1 135 . 11 1 1 A 23 23 GLY H H 23 9.160 8.423 0.737 1
1 136 . 11 1 1 A 23 23 GLY HA2 H 23 3.861 4.220 -0.359 1
1 137 . 11 1 1 A 23 23 GLY HA3 H 23 4.029 4.248 -0.219 1
1 138 . 11 1 1 A 24 24 GLN H H 24 8.497 8.552 -0.055 1
1 139 . 11 1 1 A 24 24 GLN HA H 24 4.064 4.314 -0.250 1
1 146 . 11 1 1 A 25 25 GLY H H 25 8.442 8.774 -0.332 1
1 147 . 11 1 1 A 25 25 GLY HA2 H 25 3.656 4.001 -0.345 1
1 148 . 11 1 1 A 25 25 GLY HA3 H 25 4.283 4.002 0.281 1
1 149 . 11 1 1 A 26 26 ASN H H 26 8.073 7.579 0.494 1
1 150 . 11 1 1 A 26 26 ASN HA H 26 5.526 5.435 0.091 1
1 155 . 11 1 1 A 27 27 LYS H H 27 9.317 9.378 -0.061 1
1 156 . 11 1 1 A 27 27 LYS HA H 27 4.460 4.837 -0.377 1
1 165 . 11 1 1 A 28 28 CYS H H 28 9.111 9.362 -0.251 1
1 166 . 11 1 1 A 28 28 CYS HA H 28 5.393 5.540 -0.147 1
1 169 . 11 1 1 A 29 29 ILE H H 29 9.859 8.732 1.127 1
1 170 . 11 1 1 A 29 29 ILE HA H 29 4.325 4.960 -0.635 1
1 180 . 11 1 1 A 30 30 LEU H H 30 8.364 9.077 -0.713 1
1 181 . 11 1 1 A 30 30 LEU HA H 30 4.178 5.533 -1.355 1
1 191 . 11 1 1 A 31 31 GLY H H 31 9.013 8.466 0.547 1
1 192 . 11 1 1 A 31 31 GLY HA2 H 31 3.417 4.035 -0.618 1
1 193 . 11 1 1 A 31 31 GLY HA3 H 31 3.888 4.035 -0.147 1
1 194 . 11 1 1 A 32 32 ARG H H 32 8.113 8.166 -0.053 1
1 195 . 11 1 1 A 32 32 ARG HA H 32 4.511 4.648 -0.137 1
1 203 . 11 1 1 A 33 33 GLY H H 33 8.454 8.666 -0.212 1
1 204 . 11 1 1 A 33 33 GLY HA2 H 33 4.432 3.915 0.517 1
1 205 . 11 1 1 A 33 33 GLY HA3 H 33 3.806 3.915 -0.109 1
1 206 . 11 1 1 A 34 34 ASP H H 34 8.140 8.865 -0.725 1
1 207 . 11 1 1 A 34 34 ASP HA H 34 4.584 4.602 -0.018 1
1 210 . 11 1 1 A 35 35 SER H H 35 7.982 7.746 0.236 1
1 211 . 11 1 1 A 35 35 SER HA H 35 4.555 4.686 -0.131 1
1 214 . 11 1 1 A 36 36 LYS H H 36 8.213 7.768 0.445 1
1 215 . 11 1 1 A 36 36 LYS HA H 36 4.571 4.235 0.336 1
1 224 . 11 1 1 A 37 37 ASN H H 37 8.347 7.813 0.534 1
1 225 . 11 1 1 A 37 37 ASN HA H 37 4.618 5.147 -0.529 1
1 230 . 11 1 1 A 38 38 GLN H H 38 8.527 8.768 -0.241 1
1 231 . 11 1 1 A 38 38 GLN HA H 38 4.764 5.093 -0.329 1
1 238 . 11 1 1 A 39 39 CYS H H 39 10.318 8.658 1.660 1
1 239 . 11 1 1 A 39 39 CYS HA H 39 5.437 4.850 0.587 1
1 242 . 11 1 1 A 40 40 VAL H H 40 9.267 8.653 0.614 1
1 243 . 11 1 1 A 40 40 VAL HA H 40 4.904 4.440 0.464 1
1 251 . 11 1 1 A 41 41 THR H H 41 8.282 8.451 -0.169 1
1 252 . 11 1 1 A 41 41 THR HA H 41 4.470 4.784 -0.314 1
1 257 . 11 1 1 A 42 42 GLY H H 42 8.267 8.125 0.142 1
1 258 . 11 1 1 A 42 42 GLY HA2 H 42 3.687 4.222 -0.535 1
1 259 . 11 1 1 A 42 42 GLY HA3 H 42 4.125 4.224 -0.099 1
1 260 . 11 1 1 A 43 43 GLU H H 43 8.152 8.452 -0.300 1
1 261 . 11 1 1 A 43 43 GLU HA H 43 4.160 4.984 -0.824 1
1 266 . 11 1 1 A 44 44 GLY H H 44 7.853 8.549 -0.696 1
1 267 . 11 1 1 A 44 44 GLY HA2 H 44 4.582 4.076 0.506 1
1 268 . 11 1 1 A 44 44 GLY HA3 H 44 3.541 4.083 -0.542 1
1 269 . 11 1 1 A 45 45 THR H H 45 8.190 8.174 0.016 1
1 270 . 11 1 1 A 45 45 THR HA H 45 4.835 4.899 -0.064 1
1 275 . 11 1 1 A 46 46 PRO HA H 46 4.648 4.457 0.191 1
1 282 . 11 1 1 A 47 47 LYS H H 47 8.357 8.406 -0.049 1
1 283 . 11 1 1 A 47 47 LYS HA H 47 4.451 4.410 0.041 1
1 292 . 11 1 1 A 48 48 PRO HA H 48 4.464 4.365 0.099 1
1 299 . 11 1 1 A 49 49 GLN H H 49 8.579 8.533 0.046 1
1 300 . 11 1 1 A 49 49 GLN HA H 49 4.227 4.699 -0.472 1
1 307 . 11 1 1 A 50 50 SER H H 50 8.289 7.981 0.308 1
1 308 . 11 1 1 A 50 50 SER HA H 50 4.369 4.787 -0.418 1
1 9 . 12 1 1 A 2 2 VAL H H 2 8.321 7.792 0.529 1
1 10 . 12 1 1 A 2 2 VAL HA H 2 4.169 4.172 -0.003 1
1 18 . 12 1 1 A 3 3 TYR H H 3 8.329 9.196 -0.867 1
1 19 . 12 1 1 A 3 3 TYR HA H 3 4.998 4.950 0.048 1
1 26 . 12 1 1 A 4 4 THR H H 4 9.053 8.733 0.320 1
1 27 . 12 1 1 A 4 4 THR HA H 4 4.712 5.008 -0.296 1
1 32 . 12 1 1 A 5 5 ASP H H 5 8.700 8.422 0.278 1
1 33 . 12 1 1 A 5 5 ASP HA H 5 4.803 4.872 -0.069 1
1 36 . 12 1 1 A 6 6 CYS H H 6 8.947 8.959 -0.012 1
1 37 . 12 1 1 A 6 6 CYS HA H 6 4.710 4.571 0.139 1
1 40 . 12 1 1 A 7 7 THR H H 7 9.504 9.107 0.397 1
1 41 . 12 1 1 A 7 7 THR HA H 7 4.448 4.486 -0.038 1
1 46 . 12 1 1 A 8 8 GLU H H 8 7.388 7.606 -0.218 1
1 47 . 12 1 1 A 8 8 GLU HA H 8 4.604 4.767 -0.163 1
1 52 . 12 1 1 A 9 9 SER H H 9 9.007 8.757 0.250 1
1 53 . 12 1 1 A 9 9 SER HA H 9 4.871 4.587 0.284 1
1 56 . 12 1 1 A 10 10 GLY H H 10 9.721 9.494 0.227 1
1 57 . 12 1 1 A 10 10 GLY HA2 H 10 3.292 3.999 -0.707 1
1 58 . 12 1 1 A 10 10 GLY HA3 H 10 4.589 4.000 0.589 1
1 59 . 12 1 1 A 11 11 GLN H H 11 7.421 7.709 -0.288 1
1 60 . 12 1 1 A 11 11 GLN HA H 11 5.277 4.912 0.365 1
1 67 . 12 1 1 A 12 12 ASN H H 12 8.211 8.530 -0.319 1
1 68 . 12 1 1 A 12 12 ASN HA H 12 4.548 4.858 -0.310 1
1 73 . 12 1 1 A 13 13 LEU H H 13 9.227 8.185 1.042 1
1 74 . 12 1 1 A 13 13 LEU HA H 13 3.297 5.107 -1.810 1
1 84 . 12 1 1 A 14 14 CYS H H 14 7.303 9.084 -1.781 1
1 85 . 12 1 1 A 14 14 CYS HA H 14 5.005 4.965 0.040 1
1 88 . 12 1 1 A 15 15 LEU H H 15 9.081 9.406 -0.325 1
1 89 . 12 1 1 A 15 15 LEU HA H 15 4.301 4.551 -0.250 1
1 99 . 12 1 1 A 16 16 CYS H H 16 7.460 8.747 -1.287 1
1 100 . 12 1 1 A 16 16 CYS HA H 16 4.779 4.334 0.445 1
1 103 . 12 1 1 A 17 17 GLU H H 17 8.673 8.269 0.404 1
1 104 . 12 1 1 A 17 17 GLU HA H 17 4.496 4.211 0.285 1
1 109 . 12 1 1 A 18 18 GLY H H 18 8.478 8.950 -0.472 1
1 110 . 12 1 1 A 18 18 GLY HA2 H 18 3.677 3.847 -0.170 1
1 111 . 12 1 1 A 18 18 GLY HA3 H 18 3.947 3.850 0.097 1
1 112 . 12 1 1 A 19 19 SER H H 19 8.696 8.257 0.439 1
1 113 . 12 1 1 A 19 19 SER HA H 19 4.414 4.614 -0.200 1
1 116 . 12 1 1 A 20 20 ASN H H 20 7.971 8.618 -0.647 1
1 117 . 12 1 1 A 20 20 ASN HA H 20 4.893 4.667 0.226 1
1 122 . 12 1 1 A 21 21 VAL H H 21 9.070 8.747 0.323 1
1 123 . 12 1 1 A 21 21 VAL HA H 21 3.437 4.792 -1.355 1
1 131 . 12 1 1 A 22 22 CYS H H 22 8.466 8.308 0.158 1
1 132 . 12 1 1 A 22 22 CYS HA H 22 5.144 4.300 0.844 1
1 135 . 12 1 1 A 23 23 GLY H H 23 9.160 8.332 0.828 1
1 136 . 12 1 1 A 23 23 GLY HA2 H 23 3.861 4.264 -0.403 1
1 137 . 12 1 1 A 23 23 GLY HA3 H 23 4.029 4.278 -0.249 1
1 138 . 12 1 1 A 24 24 GLN H H 24 8.497 8.467 0.030 1
1 139 . 12 1 1 A 24 24 GLN HA H 24 4.064 4.319 -0.255 1
1 146 . 12 1 1 A 25 25 GLY H H 25 8.442 8.778 -0.336 1
1 147 . 12 1 1 A 25 25 GLY HA2 H 25 3.656 4.028 -0.372 1
1 148 . 12 1 1 A 25 25 GLY HA3 H 25 4.283 4.029 0.254 1
1 149 . 12 1 1 A 26 26 ASN H H 26 8.073 7.557 0.516 1
1 150 . 12 1 1 A 26 26 ASN HA H 26 5.526 5.422 0.104 1
1 155 . 12 1 1 A 27 27 LYS H H 27 9.317 9.620 -0.303 1
1 156 . 12 1 1 A 27 27 LYS HA H 27 4.460 4.944 -0.484 1
1 165 . 12 1 1 A 28 28 CYS H H 28 9.111 9.626 -0.515 1
1 166 . 12 1 1 A 28 28 CYS HA H 28 5.393 5.517 -0.124 1
1 169 . 12 1 1 A 29 29 ILE H H 29 9.859 9.203 0.656 1
1 170 . 12 1 1 A 29 29 ILE HA H 29 4.325 4.928 -0.603 1
1 180 . 12 1 1 A 30 30 LEU H H 30 8.364 8.569 -0.205 1
1 181 . 12 1 1 A 30 30 LEU HA H 30 4.178 4.956 -0.778 1
1 191 . 12 1 1 A 31 31 GLY H H 31 9.013 8.393 0.620 1
1 192 . 12 1 1 A 31 31 GLY HA2 H 31 3.417 4.041 -0.624 1
1 193 . 12 1 1 A 31 31 GLY HA3 H 31 3.888 4.041 -0.153 1
1 194 . 12 1 1 A 32 32 ARG H H 32 8.113 8.341 -0.228 1
1 195 . 12 1 1 A 32 32 ARG HA H 32 4.511 4.859 -0.348 1
1 203 . 12 1 1 A 33 33 GLY H H 33 8.454 8.657 -0.203 1
1 204 . 12 1 1 A 33 33 GLY HA2 H 33 4.432 3.893 0.539 1
1 205 . 12 1 1 A 33 33 GLY HA3 H 33 3.806 3.894 -0.088 1
1 206 . 12 1 1 A 34 34 ASP H H 34 8.140 8.826 -0.686 1
1 207 . 12 1 1 A 34 34 ASP HA H 34 4.584 4.626 -0.042 1
1 210 . 12 1 1 A 35 35 SER H H 35 7.982 7.810 0.172 1
1 211 . 12 1 1 A 35 35 SER HA H 35 4.555 4.747 -0.192 1
1 214 . 12 1 1 A 36 36 LYS H H 36 8.213 7.980 0.233 1
1 215 . 12 1 1 A 36 36 LYS HA H 36 4.571 4.110 0.461 1
1 224 . 12 1 1 A 37 37 ASN H H 37 8.347 7.729 0.618 1
1 225 . 12 1 1 A 37 37 ASN HA H 37 4.618 5.168 -0.550 1
1 230 . 12 1 1 A 38 38 GLN H H 38 8.527 8.542 -0.015 1
1 231 . 12 1 1 A 38 38 GLN HA H 38 4.764 4.731 0.033 1
1 238 . 12 1 1 A 39 39 CYS H H 39 10.318 8.618 1.700 1
1 239 . 12 1 1 A 39 39 CYS HA H 39 5.437 4.868 0.569 1
1 242 . 12 1 1 A 40 40 VAL H H 40 9.267 8.791 0.476 1
1 243 . 12 1 1 A 40 40 VAL HA H 40 4.904 4.444 0.460 1
1 251 . 12 1 1 A 41 41 THR H H 41 8.282 8.533 -0.251 1
1 252 . 12 1 1 A 41 41 THR HA H 41 4.470 4.824 -0.354 1
1 257 . 12 1 1 A 42 42 GLY H H 42 8.267 8.276 -0.009 1
1 258 . 12 1 1 A 42 42 GLY HA2 H 42 3.687 4.242 -0.555 1
1 259 . 12 1 1 A 42 42 GLY HA3 H 42 4.125 4.242 -0.117 1
1 260 . 12 1 1 A 43 43 GLU H H 43 8.152 8.830 -0.678 1
1 261 . 12 1 1 A 43 43 GLU HA H 43 4.160 5.183 -1.023 1
1 266 . 12 1 1 A 44 44 GLY H H 44 7.853 9.033 -1.180 1
1 267 . 12 1 1 A 44 44 GLY HA2 H 44 4.582 4.115 0.467 1
1 268 . 12 1 1 A 44 44 GLY HA3 H 44 3.541 4.117 -0.576 1
1 269 . 12 1 1 A 45 45 THR H H 45 8.190 8.076 0.114 1
1 270 . 12 1 1 A 45 45 THR HA H 45 4.835 4.895 -0.060 1
1 275 . 12 1 1 A 46 46 PRO HA H 46 4.648 4.536 0.112 1
1 282 . 12 1 1 A 47 47 LYS H H 47 8.357 8.482 -0.125 1
1 283 . 12 1 1 A 47 47 LYS HA H 47 4.451 4.692 -0.241 1
1 292 . 12 1 1 A 48 48 PRO HA H 48 4.464 4.759 -0.295 1
1 299 . 12 1 1 A 49 49 GLN H H 49 8.579 8.279 0.300 1
1 300 . 12 1 1 A 49 49 GLN HA H 49 4.227 4.604 -0.377 1
1 307 . 12 1 1 A 50 50 SER H H 50 8.289 7.904 0.385 1
1 308 . 12 1 1 A 50 50 SER HA H 50 4.369 4.865 -0.496 1
1 9 . 13 1 1 A 2 2 VAL H H 2 8.321 8.934 -0.613 1
1 10 . 13 1 1 A 2 2 VAL HA H 2 4.169 4.509 -0.340 1
1 18 . 13 1 1 A 3 3 TYR H H 3 8.329 9.090 -0.761 1
1 19 . 13 1 1 A 3 3 TYR HA H 3 4.998 5.020 -0.022 1
1 26 . 13 1 1 A 4 4 THR H H 4 9.053 8.856 0.197 1
1 27 . 13 1 1 A 4 4 THR HA H 4 4.712 4.909 -0.197 1
1 32 . 13 1 1 A 5 5 ASP H H 5 8.700 8.449 0.251 1
1 33 . 13 1 1 A 5 5 ASP HA H 5 4.803 4.873 -0.070 1
1 36 . 13 1 1 A 6 6 CYS H H 6 8.947 8.617 0.330 1
1 37 . 13 1 1 A 6 6 CYS HA H 6 4.710 4.544 0.166 1
1 40 . 13 1 1 A 7 7 THR H H 7 9.504 8.950 0.554 1
1 41 . 13 1 1 A 7 7 THR HA H 7 4.448 4.550 -0.102 1
1 46 . 13 1 1 A 8 8 GLU H H 8 7.388 7.597 -0.209 1
1 47 . 13 1 1 A 8 8 GLU HA H 8 4.604 4.725 -0.121 1
1 52 . 13 1 1 A 9 9 SER H H 9 9.007 8.813 0.194 1
1 53 . 13 1 1 A 9 9 SER HA H 9 4.871 4.489 0.382 1
1 56 . 13 1 1 A 10 10 GLY H H 10 9.721 9.502 0.219 1
1 57 . 13 1 1 A 10 10 GLY HA2 H 10 3.292 3.986 -0.694 1
1 58 . 13 1 1 A 10 10 GLY HA3 H 10 4.589 3.986 0.603 1
1 59 . 13 1 1 A 11 11 GLN H H 11 7.421 7.237 0.184 1
1 60 . 13 1 1 A 11 11 GLN HA H 11 5.277 4.930 0.347 1
1 67 . 13 1 1 A 12 12 ASN H H 12 8.211 8.515 -0.304 1
1 68 . 13 1 1 A 12 12 ASN HA H 12 4.548 4.838 -0.290 1
1 73 . 13 1 1 A 13 13 LEU H H 13 9.227 8.138 1.089 1
1 74 . 13 1 1 A 13 13 LEU HA H 13 3.297 5.159 -1.862 1
1 84 . 13 1 1 A 14 14 CYS H H 14 7.303 9.177 -1.874 1
1 85 . 13 1 1 A 14 14 CYS HA H 14 5.005 5.054 -0.049 1
1 88 . 13 1 1 A 15 15 LEU H H 15 9.081 9.280 -0.199 1
1 89 . 13 1 1 A 15 15 LEU HA H 15 4.301 4.663 -0.362 1
1 99 . 13 1 1 A 16 16 CYS H H 16 7.460 8.809 -1.349 1
1 100 . 13 1 1 A 16 16 CYS HA H 16 4.779 4.535 0.244 1
1 103 . 13 1 1 A 17 17 GLU H H 17 8.673 8.058 0.615 1
1 104 . 13 1 1 A 17 17 GLU HA H 17 4.496 4.322 0.174 1
1 109 . 13 1 1 A 18 18 GLY H H 18 8.478 8.894 -0.416 1
1 110 . 13 1 1 A 18 18 GLY HA2 H 18 3.677 3.833 -0.156 1
1 111 . 13 1 1 A 18 18 GLY HA3 H 18 3.947 3.835 0.112 1
1 112 . 13 1 1 A 19 19 SER H H 19 8.696 8.350 0.346 1
1 113 . 13 1 1 A 19 19 SER HA H 19 4.414 4.540 -0.126 1
1 116 . 13 1 1 A 20 20 ASN H H 20 7.971 8.556 -0.585 1
1 117 . 13 1 1 A 20 20 ASN HA H 20 4.893 4.653 0.240 1
1 122 . 13 1 1 A 21 21 VAL H H 21 9.070 8.655 0.415 1
1 123 . 13 1 1 A 21 21 VAL HA H 21 3.437 4.514 -1.077 1
1 131 . 13 1 1 A 22 22 CYS H H 22 8.466 8.461 0.005 1
1 132 . 13 1 1 A 22 22 CYS HA H 22 5.144 4.494 0.650 1
1 135 . 13 1 1 A 23 23 GLY H H 23 9.160 8.540 0.620 1
1 136 . 13 1 1 A 23 23 GLY HA2 H 23 3.861 4.239 -0.378 1
1 137 . 13 1 1 A 23 23 GLY HA3 H 23 4.029 4.251 -0.222 1
1 138 . 13 1 1 A 24 24 GLN H H 24 8.497 8.551 -0.054 1
1 139 . 13 1 1 A 24 24 GLN HA H 24 4.064 4.289 -0.225 1
1 146 . 13 1 1 A 25 25 GLY H H 25 8.442 8.810 -0.368 1
1 147 . 13 1 1 A 25 25 GLY HA2 H 25 3.656 4.004 -0.348 1
1 148 . 13 1 1 A 25 25 GLY HA3 H 25 4.283 4.004 0.279 1
1 149 . 13 1 1 A 26 26 ASN H H 26 8.073 7.545 0.528 1
1 150 . 13 1 1 A 26 26 ASN HA H 26 5.526 5.338 0.188 1
1 155 . 13 1 1 A 27 27 LYS H H 27 9.317 9.367 -0.050 1
1 156 . 13 1 1 A 27 27 LYS HA H 27 4.460 4.828 -0.368 1
1 165 . 13 1 1 A 28 28 CYS H H 28 9.111 9.598 -0.487 1
1 166 . 13 1 1 A 28 28 CYS HA H 28 5.393 5.443 -0.050 1
1 169 . 13 1 1 A 29 29 ILE H H 29 9.859 8.972 0.887 1
1 170 . 13 1 1 A 29 29 ILE HA H 29 4.325 4.877 -0.552 1
1 180 . 13 1 1 A 30 30 LEU H H 30 8.364 8.386 -0.022 1
1 181 . 13 1 1 A 30 30 LEU HA H 30 4.178 5.090 -0.912 1
1 191 . 13 1 1 A 31 31 GLY H H 31 9.013 8.618 0.395 1
1 192 . 13 1 1 A 31 31 GLY HA2 H 31 3.417 4.039 -0.622 1
1 193 . 13 1 1 A 31 31 GLY HA3 H 31 3.888 4.040 -0.152 1
1 194 . 13 1 1 A 32 32 ARG H H 32 8.113 8.170 -0.057 1
1 195 . 13 1 1 A 32 32 ARG HA H 32 4.511 4.672 -0.161 1
1 203 . 13 1 1 A 33 33 GLY H H 33 8.454 8.734 -0.280 1
1 204 . 13 1 1 A 33 33 GLY HA2 H 33 4.432 3.896 0.536 1
1 205 . 13 1 1 A 33 33 GLY HA3 H 33 3.806 3.896 -0.090 1
1 206 . 13 1 1 A 34 34 ASP H H 34 8.140 8.932 -0.792 1
1 207 . 13 1 1 A 34 34 ASP HA H 34 4.584 4.575 0.009 1
1 210 . 13 1 1 A 35 35 SER H H 35 7.982 7.660 0.322 1
1 211 . 13 1 1 A 35 35 SER HA H 35 4.555 4.620 -0.065 1
1 214 . 13 1 1 A 36 36 LYS H H 36 8.213 8.047 0.166 1
1 215 . 13 1 1 A 36 36 LYS HA H 36 4.571 4.143 0.428 1
1 224 . 13 1 1 A 37 37 ASN H H 37 8.347 7.887 0.460 1
1 225 . 13 1 1 A 37 37 ASN HA H 37 4.618 4.998 -0.380 1
1 230 . 13 1 1 A 38 38 GLN H H 38 8.527 8.721 -0.194 1
1 231 . 13 1 1 A 38 38 GLN HA H 38 4.764 5.441 -0.677 1
1 238 . 13 1 1 A 39 39 CYS H H 39 10.318 8.605 1.713 1
1 239 . 13 1 1 A 39 39 CYS HA H 39 5.437 4.943 0.494 1
1 242 . 13 1 1 A 40 40 VAL H H 40 9.267 9.012 0.255 1
1 243 . 13 1 1 A 40 40 VAL HA H 40 4.904 4.863 0.041 1
1 251 . 13 1 1 A 41 41 THR H H 41 8.282 8.532 -0.250 1
1 252 . 13 1 1 A 41 41 THR HA H 41 4.470 4.804 -0.334 1
1 257 . 13 1 1 A 42 42 GLY H H 42 8.267 8.095 0.172 1
1 258 . 13 1 1 A 42 42 GLY HA2 H 42 3.687 4.217 -0.530 1
1 259 . 13 1 1 A 42 42 GLY HA3 H 42 4.125 4.217 -0.092 1
1 260 . 13 1 1 A 43 43 GLU H H 43 8.152 8.787 -0.635 1
1 261 . 13 1 1 A 43 43 GLU HA H 43 4.160 5.123 -0.963 1
1 266 . 13 1 1 A 44 44 GLY H H 44 7.853 8.534 -0.681 1
1 267 . 13 1 1 A 44 44 GLY HA2 H 44 4.582 4.103 0.479 1
1 268 . 13 1 1 A 44 44 GLY HA3 H 44 3.541 4.104 -0.563 1
1 269 . 13 1 1 A 45 45 THR H H 45 8.190 8.348 -0.158 1
1 270 . 13 1 1 A 45 45 THR HA H 45 4.835 4.872 -0.037 1
1 275 . 13 1 1 A 46 46 PRO HA H 46 4.648 4.489 0.159 1
1 282 . 13 1 1 A 47 47 LYS H H 47 8.357 8.465 -0.108 1
1 283 . 13 1 1 A 47 47 LYS HA H 47 4.451 4.664 -0.213 1
1 292 . 13 1 1 A 48 48 PRO HA H 48 4.464 4.581 -0.117 1
1 299 . 13 1 1 A 49 49 GLN H H 49 8.579 8.268 0.311 1
1 300 . 13 1 1 A 49 49 GLN HA H 49 4.227 4.570 -0.343 1
1 307 . 13 1 1 A 50 50 SER H H 50 8.289 7.741 0.548 1
1 308 . 13 1 1 A 50 50 SER HA H 50 4.369 4.256 0.113 1
1 9 . 14 1 1 A 2 2 VAL H H 2 8.321 7.248 1.073 1
1 10 . 14 1 1 A 2 2 VAL HA H 2 4.169 4.365 -0.196 1
1 18 . 14 1 1 A 3 3 TYR H H 3 8.329 9.100 -0.771 1
1 19 . 14 1 1 A 3 3 TYR HA H 3 4.998 5.337 -0.339 1
1 26 . 14 1 1 A 4 4 THR H H 4 9.053 9.071 -0.018 1
1 27 . 14 1 1 A 4 4 THR HA H 4 4.712 5.007 -0.295 1
1 32 . 14 1 1 A 5 5 ASP H H 5 8.700 8.543 0.157 1
1 33 . 14 1 1 A 5 5 ASP HA H 5 4.803 4.970 -0.167 1
1 36 . 14 1 1 A 6 6 CYS H H 6 8.947 8.808 0.139 1
1 37 . 14 1 1 A 6 6 CYS HA H 6 4.710 4.423 0.287 1
1 40 . 14 1 1 A 7 7 THR H H 7 9.504 8.936 0.568 1
1 41 . 14 1 1 A 7 7 THR HA H 7 4.448 4.576 -0.128 1
1 46 . 14 1 1 A 8 8 GLU H H 8 7.388 7.590 -0.202 1
1 47 . 14 1 1 A 8 8 GLU HA H 8 4.604 4.712 -0.108 1
1 52 . 14 1 1 A 9 9 SER H H 9 9.007 8.788 0.219 1
1 53 . 14 1 1 A 9 9 SER HA H 9 4.871 4.515 0.356 1
1 56 . 14 1 1 A 10 10 GLY H H 10 9.721 9.475 0.246 1
1 57 . 14 1 1 A 10 10 GLY HA2 H 10 3.292 3.961 -0.669 1
1 58 . 14 1 1 A 10 10 GLY HA3 H 10 4.589 3.963 0.626 1
1 59 . 14 1 1 A 11 11 GLN H H 11 7.421 7.589 -0.168 1
1 60 . 14 1 1 A 11 11 GLN HA H 11 5.277 4.834 0.443 1
1 67 . 14 1 1 A 12 12 ASN H H 12 8.211 8.632 -0.421 1
1 68 . 14 1 1 A 12 12 ASN HA H 12 4.548 4.788 -0.240 1
1 73 . 14 1 1 A 13 13 LEU H H 13 9.227 7.979 1.248 1
1 74 . 14 1 1 A 13 13 LEU HA H 13 3.297 4.622 -1.325 1
1 84 . 14 1 1 A 14 14 CYS H H 14 7.303 8.995 -1.692 1
1 85 . 14 1 1 A 14 14 CYS HA H 14 5.005 4.851 0.154 1
1 88 . 14 1 1 A 15 15 LEU H H 15 9.081 8.665 0.416 1
1 89 . 14 1 1 A 15 15 LEU HA H 15 4.301 4.605 -0.304 1
1 99 . 14 1 1 A 16 16 CYS H H 16 7.460 8.188 -0.728 1
1 100 . 14 1 1 A 16 16 CYS HA H 16 4.779 4.397 0.382 1
1 103 . 14 1 1 A 17 17 GLU H H 17 8.673 7.738 0.935 1
1 104 . 14 1 1 A 17 17 GLU HA H 17 4.496 4.414 0.082 1
1 109 . 14 1 1 A 18 18 GLY H H 18 8.478 8.772 -0.294 1
1 110 . 14 1 1 A 18 18 GLY HA2 H 18 3.677 3.765 -0.088 1
1 111 . 14 1 1 A 18 18 GLY HA3 H 18 3.947 3.766 0.181 1
1 112 . 14 1 1 A 19 19 SER H H 19 8.696 7.795 0.901 1
1 113 . 14 1 1 A 19 19 SER HA H 19 4.414 4.500 -0.086 1
1 116 . 14 1 1 A 20 20 ASN H H 20 7.971 7.813 0.158 1
1 117 . 14 1 1 A 20 20 ASN HA H 20 4.893 4.914 -0.021 1
1 122 . 14 1 1 A 21 21 VAL H H 21 9.070 8.197 0.873 1
1 123 . 14 1 1 A 21 21 VAL HA H 21 3.437 4.337 -0.900 1
1 131 . 14 1 1 A 22 22 CYS H H 22 8.466 8.220 0.246 1
1 132 . 14 1 1 A 22 22 CYS HA H 22 5.144 4.477 0.667 1
1 135 . 14 1 1 A 23 23 GLY H H 23 9.160 8.502 0.658 1
1 136 . 14 1 1 A 23 23 GLY HA2 H 23 3.861 4.151 -0.290 1
1 137 . 14 1 1 A 23 23 GLY HA3 H 23 4.029 4.204 -0.175 1
1 138 . 14 1 1 A 24 24 GLN H H 24 8.497 8.467 0.030 1
1 139 . 14 1 1 A 24 24 GLN HA H 24 4.064 4.211 -0.147 1
1 146 . 14 1 1 A 25 25 GLY H H 25 8.442 8.805 -0.363 1
1 147 . 14 1 1 A 25 25 GLY HA2 H 25 3.656 3.993 -0.337 1
1 148 . 14 1 1 A 25 25 GLY HA3 H 25 4.283 3.993 0.290 1
1 149 . 14 1 1 A 26 26 ASN H H 26 8.073 7.535 0.538 1
1 150 . 14 1 1 A 26 26 ASN HA H 26 5.526 5.314 0.212 1
1 155 . 14 1 1 A 27 27 LYS H H 27 9.317 9.143 0.174 1
1 156 . 14 1 1 A 27 27 LYS HA H 27 4.460 4.681 -0.221 1
1 165 . 14 1 1 A 28 28 CYS H H 28 9.111 9.721 -0.610 1
1 166 . 14 1 1 A 28 28 CYS HA H 28 5.393 5.402 -0.009 1
1 169 . 14 1 1 A 29 29 ILE H H 29 9.859 8.810 1.049 1
1 170 . 14 1 1 A 29 29 ILE HA H 29 4.325 4.894 -0.569 1
1 180 . 14 1 1 A 30 30 LEU H H 30 8.364 8.597 -0.233 1
1 181 . 14 1 1 A 30 30 LEU HA H 30 4.178 5.443 -1.265 1
1 191 . 14 1 1 A 31 31 GLY H H 31 9.013 8.341 0.672 1
1 192 . 14 1 1 A 31 31 GLY HA2 H 31 3.417 4.046 -0.629 1
1 193 . 14 1 1 A 31 31 GLY HA3 H 31 3.888 4.047 -0.159 1
1 194 . 14 1 1 A 32 32 ARG H H 32 8.113 7.817 0.296 1
1 195 . 14 1 1 A 32 32 ARG HA H 32 4.511 4.668 -0.157 1
1 203 . 14 1 1 A 33 33 GLY H H 33 8.454 8.666 -0.212 1
1 204 . 14 1 1 A 33 33 GLY HA2 H 33 4.432 3.890 0.542 1
1 205 . 14 1 1 A 33 33 GLY HA3 H 33 3.806 3.890 -0.084 1
1 206 . 14 1 1 A 34 34 ASP H H 34 8.140 8.821 -0.681 1
1 207 . 14 1 1 A 34 34 ASP HA H 34 4.584 4.612 -0.028 1
1 210 . 14 1 1 A 35 35 SER H H 35 7.982 7.791 0.191 1
1 211 . 14 1 1 A 35 35 SER HA H 35 4.555 4.774 -0.219 1
1 214 . 14 1 1 A 36 36 LYS H H 36 8.213 7.896 0.317 1
1 215 . 14 1 1 A 36 36 LYS HA H 36 4.571 4.519 0.052 1
1 224 . 14 1 1 A 37 37 ASN H H 37 8.347 7.738 0.609 1
1 225 . 14 1 1 A 37 37 ASN HA H 37 4.618 5.067 -0.449 1
1 230 . 14 1 1 A 38 38 GLN H H 38 8.527 8.349 0.178 1
1 231 . 14 1 1 A 38 38 GLN HA H 38 4.764 4.800 -0.036 1
1 238 . 14 1 1 A 39 39 CYS H H 39 10.318 8.567 1.751 1
1 239 . 14 1 1 A 39 39 CYS HA H 39 5.437 4.912 0.525 1
1 242 . 14 1 1 A 40 40 VAL H H 40 9.267 8.729 0.538 1
1 243 . 14 1 1 A 40 40 VAL HA H 40 4.904 4.437 0.467 1
1 251 . 14 1 1 A 41 41 THR H H 41 8.282 8.474 -0.192 1
1 252 . 14 1 1 A 41 41 THR HA H 41 4.470 4.764 -0.294 1
1 257 . 14 1 1 A 42 42 GLY H H 42 8.267 8.031 0.236 1
1 258 . 14 1 1 A 42 42 GLY HA2 H 42 3.687 4.221 -0.534 1
1 259 . 14 1 1 A 42 42 GLY HA3 H 42 4.125 4.222 -0.097 1
1 260 . 14 1 1 A 43 43 GLU H H 43 8.152 8.450 -0.298 1
1 261 . 14 1 1 A 43 43 GLU HA H 43 4.160 5.002 -0.842 1
1 266 . 14 1 1 A 44 44 GLY H H 44 7.853 8.662 -0.809 1
1 267 . 14 1 1 A 44 44 GLY HA2 H 44 4.582 4.066 0.516 1
1 268 . 14 1 1 A 44 44 GLY HA3 H 44 3.541 4.074 -0.533 1
1 269 . 14 1 1 A 45 45 THR H H 45 8.190 8.069 0.121 1
1 270 . 14 1 1 A 45 45 THR HA H 45 4.835 4.884 -0.049 1
1 275 . 14 1 1 A 46 46 PRO HA H 46 4.648 4.495 0.153 1
1 282 . 14 1 1 A 47 47 LYS H H 47 8.357 8.490 -0.133 1
1 283 . 14 1 1 A 47 47 LYS HA H 47 4.451 4.811 -0.360 1
1 292 . 14 1 1 A 48 48 PRO HA H 48 4.464 4.676 -0.212 1
1 299 . 14 1 1 A 49 49 GLN H H 49 8.579 8.232 0.347 1
1 300 . 14 1 1 A 49 49 GLN HA H 49 4.227 4.472 -0.245 1
1 307 . 14 1 1 A 50 50 SER H H 50 8.289 8.239 0.050 1
1 308 . 14 1 1 A 50 50 SER HA H 50 4.369 4.622 -0.253 1
1 9 . 15 1 1 A 2 2 VAL H H 2 8.321 8.155 0.166 1
1 10 . 15 1 1 A 2 2 VAL HA H 2 4.169 4.900 -0.731 1
1 18 . 15 1 1 A 3 3 TYR H H 3 8.329 8.874 -0.545 1
1 19 . 15 1 1 A 3 3 TYR HA H 3 4.998 5.279 -0.281 1
1 26 . 15 1 1 A 4 4 THR H H 4 9.053 9.018 0.035 1
1 27 . 15 1 1 A 4 4 THR HA H 4 4.712 5.220 -0.508 1
1 32 . 15 1 1 A 5 5 ASP H H 5 8.700 8.838 -0.138 1
1 33 . 15 1 1 A 5 5 ASP HA H 5 4.803 5.174 -0.371 1
1 36 . 15 1 1 A 6 6 CYS H H 6 8.947 8.438 0.509 1
1 37 . 15 1 1 A 6 6 CYS HA H 6 4.710 4.489 0.221 1
1 40 . 15 1 1 A 7 7 THR H H 7 9.504 8.835 0.669 1
1 41 . 15 1 1 A 7 7 THR HA H 7 4.448 4.506 -0.058 1
1 46 . 15 1 1 A 8 8 GLU H H 8 7.388 8.038 -0.650 1
1 47 . 15 1 1 A 8 8 GLU HA H 8 4.604 4.779 -0.175 1
1 52 . 15 1 1 A 9 9 SER H H 9 9.007 8.803 0.204 1
1 53 . 15 1 1 A 9 9 SER HA H 9 4.871 4.684 0.187 1
1 56 . 15 1 1 A 10 10 GLY H H 10 9.721 9.612 0.109 1
1 57 . 15 1 1 A 10 10 GLY HA2 H 10 3.292 4.013 -0.721 1
1 58 . 15 1 1 A 10 10 GLY HA3 H 10 4.589 4.013 0.576 1
1 59 . 15 1 1 A 11 11 GLN H H 11 7.421 7.268 0.153 1
1 60 . 15 1 1 A 11 11 GLN HA H 11 5.277 4.878 0.399 1
1 67 . 15 1 1 A 12 12 ASN H H 12 8.211 8.449 -0.238 1
1 68 . 15 1 1 A 12 12 ASN HA H 12 4.548 4.865 -0.317 1
1 73 . 15 1 1 A 13 13 LEU H H 13 9.227 8.145 1.082 1
1 74 . 15 1 1 A 13 13 LEU HA H 13 3.297 5.027 -1.730 1
1 84 . 15 1 1 A 14 14 CYS H H 14 7.303 9.086 -1.783 1
1 85 . 15 1 1 A 14 14 CYS HA H 14 5.005 4.999 0.006 1
1 88 . 15 1 1 A 15 15 LEU H H 15 9.081 8.721 0.360 1
1 89 . 15 1 1 A 15 15 LEU HA H 15 4.301 4.596 -0.295 1
1 99 . 15 1 1 A 16 16 CYS H H 16 7.460 8.906 -1.446 1
1 100 . 15 1 1 A 16 16 CYS HA H 16 4.779 4.494 0.285 1
1 103 . 15 1 1 A 17 17 GLU H H 17 8.673 7.783 0.890 1
1 104 . 15 1 1 A 17 17 GLU HA H 17 4.496 4.256 0.240 1
1 109 . 15 1 1 A 18 18 GLY H H 18 8.478 8.851 -0.373 1
1 110 . 15 1 1 A 18 18 GLY HA2 H 18 3.677 3.739 -0.062 1
1 111 . 15 1 1 A 18 18 GLY HA3 H 18 3.947 3.742 0.205 1
1 112 . 15 1 1 A 19 19 SER H H 19 8.696 7.869 0.827 1
1 113 . 15 1 1 A 19 19 SER HA H 19 4.414 4.566 -0.152 1
1 116 . 15 1 1 A 20 20 ASN H H 20 7.971 7.745 0.226 1
1 117 . 15 1 1 A 20 20 ASN HA H 20 4.893 4.867 0.026 1
1 122 . 15 1 1 A 21 21 VAL H H 21 9.070 8.589 0.481 1
1 123 . 15 1 1 A 21 21 VAL HA H 21 3.437 4.300 -0.863 1
1 131 . 15 1 1 A 22 22 CYS H H 22 8.466 8.654 -0.188 1
1 132 . 15 1 1 A 22 22 CYS HA H 22 5.144 4.747 0.397 1
1 135 . 15 1 1 A 23 23 GLY H H 23 9.160 8.532 0.628 1
1 136 . 15 1 1 A 23 23 GLY HA2 H 23 3.861 4.301 -0.440 1
1 137 . 15 1 1 A 23 23 GLY HA3 H 23 4.029 4.317 -0.288 1
1 138 . 15 1 1 A 24 24 GLN H H 24 8.497 8.517 -0.020 1
1 139 . 15 1 1 A 24 24 GLN HA H 24 4.064 4.336 -0.272 1
1 146 . 15 1 1 A 25 25 GLY H H 25 8.442 8.826 -0.384 1
1 147 . 15 1 1 A 25 25 GLY HA2 H 25 3.656 4.011 -0.355 1
1 148 . 15 1 1 A 25 25 GLY HA3 H 25 4.283 4.011 0.272 1
1 149 . 15 1 1 A 26 26 ASN H H 26 8.073 7.645 0.428 1
1 150 . 15 1 1 A 26 26 ASN HA H 26 5.526 5.385 0.141 1
1 155 . 15 1 1 A 27 27 LYS H H 27 9.317 9.318 -0.001 1
1 156 . 15 1 1 A 27 27 LYS HA H 27 4.460 4.826 -0.366 1
1 165 . 15 1 1 A 28 28 CYS H H 28 9.111 9.837 -0.726 1
1 166 . 15 1 1 A 28 28 CYS HA H 28 5.393 5.662 -0.269 1
1 169 . 15 1 1 A 29 29 ILE H H 29 9.859 9.015 0.844 1
1 170 . 15 1 1 A 29 29 ILE HA H 29 4.325 4.926 -0.601 1
1 180 . 15 1 1 A 30 30 LEU H H 30 8.364 8.944 -0.580 1
1 181 . 15 1 1 A 30 30 LEU HA H 30 4.178 5.179 -1.001 1
1 191 . 15 1 1 A 31 31 GLY H H 31 9.013 8.670 0.343 1
1 192 . 15 1 1 A 31 31 GLY HA2 H 31 3.417 4.161 -0.744 1
1 193 . 15 1 1 A 31 31 GLY HA3 H 31 3.888 4.161 -0.273 1
1 194 . 15 1 1 A 32 32 ARG H H 32 8.113 8.259 -0.146 1
1 195 . 15 1 1 A 32 32 ARG HA H 32 4.511 4.646 -0.135 1
1 203 . 15 1 1 A 33 33 GLY H H 33 8.454 8.687 -0.233 1
1 204 . 15 1 1 A 33 33 GLY HA2 H 33 4.432 3.902 0.530 1
1 205 . 15 1 1 A 33 33 GLY HA3 H 33 3.806 3.903 -0.097 1
1 206 . 15 1 1 A 34 34 ASP H H 34 8.140 8.773 -0.633 1
1 207 . 15 1 1 A 34 34 ASP HA H 34 4.584 4.650 -0.066 1
1 210 . 15 1 1 A 35 35 SER H H 35 7.982 7.896 0.086 1
1 211 . 15 1 1 A 35 35 SER HA H 35 4.555 4.672 -0.117 1
1 214 . 15 1 1 A 36 36 LYS H H 36 8.213 8.090 0.123 1
1 215 . 15 1 1 A 36 36 LYS HA H 36 4.571 4.093 0.478 1
1 224 . 15 1 1 A 37 37 ASN H H 37 8.347 8.021 0.326 1
1 225 . 15 1 1 A 37 37 ASN HA H 37 4.618 4.969 -0.351 1
1 230 . 15 1 1 A 38 38 GLN H H 38 8.527 8.901 -0.374 1
1 231 . 15 1 1 A 38 38 GLN HA H 38 4.764 4.961 -0.197 1
1 238 . 15 1 1 A 39 39 CYS H H 39 10.318 8.598 1.720 1
1 239 . 15 1 1 A 39 39 CYS HA H 39 5.437 5.004 0.433 1
1 242 . 15 1 1 A 40 40 VAL H H 40 9.267 8.845 0.422 1
1 243 . 15 1 1 A 40 40 VAL HA H 40 4.904 4.443 0.461 1
1 251 . 15 1 1 A 41 41 THR H H 41 8.282 8.527 -0.245 1
1 252 . 15 1 1 A 41 41 THR HA H 41 4.470 4.800 -0.330 1
1 257 . 15 1 1 A 42 42 GLY H H 42 8.267 8.091 0.176 1
1 258 . 15 1 1 A 42 42 GLY HA2 H 42 3.687 4.214 -0.527 1
1 259 . 15 1 1 A 42 42 GLY HA3 H 42 4.125 4.215 -0.090 1
1 260 . 15 1 1 A 43 43 GLU H H 43 8.152 8.490 -0.338 1
1 261 . 15 1 1 A 43 43 GLU HA H 43 4.160 5.001 -0.841 1
1 266 . 15 1 1 A 44 44 GLY H H 44 7.853 8.555 -0.702 1
1 267 . 15 1 1 A 44 44 GLY HA2 H 44 4.582 4.075 0.507 1
1 268 . 15 1 1 A 44 44 GLY HA3 H 44 3.541 4.078 -0.537 1
1 269 . 15 1 1 A 45 45 THR H H 45 8.190 8.448 -0.258 1
1 270 . 15 1 1 A 45 45 THR HA H 45 4.835 4.863 -0.028 1
1 275 . 15 1 1 A 46 46 PRO HA H 46 4.648 4.521 0.127 1
1 282 . 15 1 1 A 47 47 LYS H H 47 8.357 8.479 -0.122 1
1 283 . 15 1 1 A 47 47 LYS HA H 47 4.451 4.537 -0.086 1
1 292 . 15 1 1 A 48 48 PRO HA H 48 4.464 4.570 -0.106 1
1 299 . 15 1 1 A 49 49 GLN H H 49 8.579 8.242 0.337 1
1 300 . 15 1 1 A 49 49 GLN HA H 49 4.227 4.685 -0.458 1
1 307 . 15 1 1 A 50 50 SER H H 50 8.289 8.090 0.199 1
1 308 . 15 1 1 A 50 50 SER HA H 50 4.369 4.665 -0.296 1
1 9 . 16 1 1 A 2 2 VAL H H 2 8.321 8.561 -0.240 1
1 10 . 16 1 1 A 2 2 VAL HA H 2 4.169 4.536 -0.367 1
1 18 . 16 1 1 A 3 3 TYR H H 3 8.329 9.154 -0.825 1
1 19 . 16 1 1 A 3 3 TYR HA H 3 4.998 5.274 -0.276 1
1 26 . 16 1 1 A 4 4 THR H H 4 9.053 9.115 -0.062 1
1 27 . 16 1 1 A 4 4 THR HA H 4 4.712 4.997 -0.285 1
1 32 . 16 1 1 A 5 5 ASP H H 5 8.700 8.503 0.197 1
1 33 . 16 1 1 A 5 5 ASP HA H 5 4.803 4.911 -0.108 1
1 36 . 16 1 1 A 6 6 CYS H H 6 8.947 8.957 -0.010 1
1 37 . 16 1 1 A 6 6 CYS HA H 6 4.710 4.545 0.165 1
1 40 . 16 1 1 A 7 7 THR H H 7 9.504 9.084 0.420 1
1 41 . 16 1 1 A 7 7 THR HA H 7 4.448 4.500 -0.052 1
1 46 . 16 1 1 A 8 8 GLU H H 8 7.388 7.780 -0.392 1
1 47 . 16 1 1 A 8 8 GLU HA H 8 4.604 4.622 -0.018 1
1 52 . 16 1 1 A 9 9 SER H H 9 9.007 8.777 0.230 1
1 53 . 16 1 1 A 9 9 SER HA H 9 4.871 4.505 0.366 1
1 56 . 16 1 1 A 10 10 GLY H H 10 9.721 9.500 0.221 1
1 57 . 16 1 1 A 10 10 GLY HA2 H 10 3.292 3.997 -0.705 1
1 58 . 16 1 1 A 10 10 GLY HA3 H 10 4.589 3.998 0.591 1
1 59 . 16 1 1 A 11 11 GLN H H 11 7.421 7.740 -0.319 1
1 60 . 16 1 1 A 11 11 GLN HA H 11 5.277 4.803 0.474 1
1 67 . 16 1 1 A 12 12 ASN H H 12 8.211 8.538 -0.327 1
1 68 . 16 1 1 A 12 12 ASN HA H 12 4.548 4.783 -0.235 1
1 73 . 16 1 1 A 13 13 LEU H H 13 9.227 7.882 1.345 1
1 74 . 16 1 1 A 13 13 LEU HA H 13 3.297 4.332 -1.035 1
1 84 . 16 1 1 A 14 14 CYS H H 14 7.303 8.854 -1.551 1
1 85 . 16 1 1 A 14 14 CYS HA H 14 5.005 4.733 0.272 1
1 88 . 16 1 1 A 15 15 LEU H H 15 9.081 9.116 -0.035 1
1 89 . 16 1 1 A 15 15 LEU HA H 15 4.301 4.298 0.003 1
1 99 . 16 1 1 A 16 16 CYS H H 16 7.460 8.650 -1.190 1
1 100 . 16 1 1 A 16 16 CYS HA H 16 4.779 4.510 0.269 1
1 103 . 16 1 1 A 17 17 GLU H H 17 8.673 7.909 0.764 1
1 104 . 16 1 1 A 17 17 GLU HA H 17 4.496 4.482 0.014 1
1 109 . 16 1 1 A 18 18 GLY H H 18 8.478 8.787 -0.309 1
1 110 . 16 1 1 A 18 18 GLY HA2 H 18 3.677 3.765 -0.088 1
1 111 . 16 1 1 A 18 18 GLY HA3 H 18 3.947 3.765 0.182 1
1 112 . 16 1 1 A 19 19 SER H H 19 8.696 8.258 0.438 1
1 113 . 16 1 1 A 19 19 SER HA H 19 4.414 4.588 -0.174 1
1 116 . 16 1 1 A 20 20 ASN H H 20 7.971 7.923 0.048 1
1 117 . 16 1 1 A 20 20 ASN HA H 20 4.893 4.897 -0.004 1
1 122 . 16 1 1 A 21 21 VAL H H 21 9.070 8.552 0.518 1
1 123 . 16 1 1 A 21 21 VAL HA H 21 3.437 4.307 -0.870 1
1 131 . 16 1 1 A 22 22 CYS H H 22 8.466 8.294 0.172 1
1 132 . 16 1 1 A 22 22 CYS HA H 22 5.144 4.427 0.717 1
1 135 . 16 1 1 A 23 23 GLY H H 23 9.160 8.493 0.667 1
1 136 . 16 1 1 A 23 23 GLY HA2 H 23 3.861 4.131 -0.270 1
1 137 . 16 1 1 A 23 23 GLY HA3 H 23 4.029 4.192 -0.163 1
1 138 . 16 1 1 A 24 24 GLN H H 24 8.497 8.503 -0.006 1
1 139 . 16 1 1 A 24 24 GLN HA H 24 4.064 4.188 -0.124 1
1 146 . 16 1 1 A 25 25 GLY H H 25 8.442 8.791 -0.349 1
1 147 . 16 1 1 A 25 25 GLY HA2 H 25 3.656 3.999 -0.343 1
1 148 . 16 1 1 A 25 25 GLY HA3 H 25 4.283 3.999 0.284 1
1 149 . 16 1 1 A 26 26 ASN H H 26 8.073 7.616 0.457 1
1 150 . 16 1 1 A 26 26 ASN HA H 26 5.526 5.331 0.195 1
1 155 . 16 1 1 A 27 27 LYS H H 27 9.317 9.159 0.158 1
1 156 . 16 1 1 A 27 27 LYS HA H 27 4.460 4.679 -0.219 1
1 165 . 16 1 1 A 28 28 CYS H H 28 9.111 9.473 -0.362 1
1 166 . 16 1 1 A 28 28 CYS HA H 28 5.393 5.467 -0.074 1
1 169 . 16 1 1 A 29 29 ILE H H 29 9.859 8.954 0.905 1
1 170 . 16 1 1 A 29 29 ILE HA H 29 4.325 4.899 -0.574 1
1 180 . 16 1 1 A 30 30 LEU H H 30 8.364 8.757 -0.393 1
1 181 . 16 1 1 A 30 30 LEU HA H 30 4.178 5.488 -1.310 1
1 191 . 16 1 1 A 31 31 GLY H H 31 9.013 8.504 0.509 1
1 192 . 16 1 1 A 31 31 GLY HA2 H 31 3.417 4.022 -0.605 1
1 193 . 16 1 1 A 31 31 GLY HA3 H 31 3.888 4.022 -0.134 1
1 194 . 16 1 1 A 32 32 ARG H H 32 8.113 8.369 -0.256 1
1 195 . 16 1 1 A 32 32 ARG HA H 32 4.511 4.869 -0.358 1
1 203 . 16 1 1 A 33 33 GLY H H 33 8.454 8.663 -0.209 1
1 204 . 16 1 1 A 33 33 GLY HA2 H 33 4.432 3.889 0.543 1
1 205 . 16 1 1 A 33 33 GLY HA3 H 33 3.806 3.889 -0.083 1
1 206 . 16 1 1 A 34 34 ASP H H 34 8.140 8.757 -0.617 1
1 207 . 16 1 1 A 34 34 ASP HA H 34 4.584 4.684 -0.100 1
1 210 . 16 1 1 A 35 35 SER H H 35 7.982 7.650 0.332 1
1 211 . 16 1 1 A 35 35 SER HA H 35 4.555 4.657 -0.102 1
1 214 . 16 1 1 A 36 36 LYS H H 36 8.213 8.106 0.107 1
1 215 . 16 1 1 A 36 36 LYS HA H 36 4.571 4.147 0.424 1
1 224 . 16 1 1 A 37 37 ASN H H 37 8.347 7.874 0.473 1
1 225 . 16 1 1 A 37 37 ASN HA H 37 4.618 5.045 -0.427 1
1 230 . 16 1 1 A 38 38 GLN H H 38 8.527 8.815 -0.288 1
1 231 . 16 1 1 A 38 38 GLN HA H 38 4.764 5.142 -0.378 1
1 238 . 16 1 1 A 39 39 CYS H H 39 10.318 8.711 1.607 1
1 239 . 16 1 1 A 39 39 CYS HA H 39 5.437 4.835 0.602 1
1 242 . 16 1 1 A 40 40 VAL H H 40 9.267 8.733 0.534 1
1 243 . 16 1 1 A 40 40 VAL HA H 40 4.904 4.463 0.441 1
1 251 . 16 1 1 A 41 41 THR H H 41 8.282 8.504 -0.222 1
1 252 . 16 1 1 A 41 41 THR HA H 41 4.470 4.753 -0.283 1
1 257 . 16 1 1 A 42 42 GLY H H 42 8.267 7.955 0.312 1
1 258 . 16 1 1 A 42 42 GLY HA2 H 42 3.687 4.180 -0.493 1
1 259 . 16 1 1 A 42 42 GLY HA3 H 42 4.125 4.181 -0.056 1
1 260 . 16 1 1 A 43 43 GLU H H 43 8.152 8.481 -0.329 1
1 261 . 16 1 1 A 43 43 GLU HA H 43 4.160 5.058 -0.898 1
1 266 . 16 1 1 A 44 44 GLY H H 44 7.853 8.409 -0.556 1
1 267 . 16 1 1 A 44 44 GLY HA2 H 44 4.582 4.057 0.525 1
1 268 . 16 1 1 A 44 44 GLY HA3 H 44 3.541 4.063 -0.522 1
1 269 . 16 1 1 A 45 45 THR H H 45 8.190 8.011 0.179 1
1 270 . 16 1 1 A 45 45 THR HA H 45 4.835 4.940 -0.105 1
1 275 . 16 1 1 A 46 46 PRO HA H 46 4.648 4.517 0.131 1
1 282 . 16 1 1 A 47 47 LYS H H 47 8.357 8.426 -0.069 1
1 283 . 16 1 1 A 47 47 LYS HA H 47 4.451 4.576 -0.125 1
1 292 . 16 1 1 A 48 48 PRO HA H 48 4.464 4.698 -0.234 1
1 299 . 16 1 1 A 49 49 GLN H H 49 8.579 8.260 0.319 1
1 300 . 16 1 1 A 49 49 GLN HA H 49 4.227 4.495 -0.268 1
1 307 . 16 1 1 A 50 50 SER H H 50 8.289 7.870 0.419 1
1 308 . 16 1 1 A 50 50 SER HA H 50 4.369 4.355 0.014 1
1 9 . 17 1 1 A 2 2 VAL H H 2 8.321 7.721 0.600 1
1 10 . 17 1 1 A 2 2 VAL HA H 2 4.169 4.068 0.101 1
1 18 . 17 1 1 A 3 3 TYR H H 3 8.329 8.931 -0.602 1
1 19 . 17 1 1 A 3 3 TYR HA H 3 4.998 4.910 0.088 1
1 26 . 17 1 1 A 4 4 THR H H 4 9.053 8.916 0.137 1
1 27 . 17 1 1 A 4 4 THR HA H 4 4.712 4.917 -0.205 1
1 32 . 17 1 1 A 5 5 ASP H H 5 8.700 8.504 0.196 1
1 33 . 17 1 1 A 5 5 ASP HA H 5 4.803 4.906 -0.103 1
1 36 . 17 1 1 A 6 6 CYS H H 6 8.947 8.943 0.004 1
1 37 . 17 1 1 A 6 6 CYS HA H 6 4.710 4.555 0.155 1
1 40 . 17 1 1 A 7 7 THR H H 7 9.504 9.057 0.447 1
1 41 . 17 1 1 A 7 7 THR HA H 7 4.448 4.510 -0.062 1
1 46 . 17 1 1 A 8 8 GLU H H 8 7.388 7.683 -0.295 1
1 47 . 17 1 1 A 8 8 GLU HA H 8 4.604 4.742 -0.138 1
1 52 . 17 1 1 A 9 9 SER H H 9 9.007 8.813 0.194 1
1 53 . 17 1 1 A 9 9 SER HA H 9 4.871 4.611 0.260 1
1 56 . 17 1 1 A 10 10 GLY H H 10 9.721 9.268 0.453 1
1 57 . 17 1 1 A 10 10 GLY HA2 H 10 3.292 3.983 -0.691 1
1 58 . 17 1 1 A 10 10 GLY HA3 H 10 4.589 3.985 0.604 1
1 59 . 17 1 1 A 11 11 GLN H H 11 7.421 7.731 -0.310 1
1 60 . 17 1 1 A 11 11 GLN HA H 11 5.277 4.916 0.361 1
1 67 . 17 1 1 A 12 12 ASN H H 12 8.211 8.511 -0.300 1
1 68 . 17 1 1 A 12 12 ASN HA H 12 4.548 4.773 -0.225 1
1 73 . 17 1 1 A 13 13 LEU H H 13 9.227 8.004 1.223 1
1 74 . 17 1 1 A 13 13 LEU HA H 13 3.297 4.793 -1.496 1
1 84 . 17 1 1 A 14 14 CYS H H 14 7.303 8.893 -1.590 1
1 85 . 17 1 1 A 14 14 CYS HA H 14 5.005 4.671 0.334 1
1 88 . 17 1 1 A 15 15 LEU H H 15 9.081 9.516 -0.435 1
1 89 . 17 1 1 A 15 15 LEU HA H 15 4.301 4.726 -0.425 1
1 99 . 17 1 1 A 16 16 CYS H H 16 7.460 8.628 -1.168 1
1 100 . 17 1 1 A 16 16 CYS HA H 16 4.779 4.463 0.316 1
1 103 . 17 1 1 A 17 17 GLU H H 17 8.673 8.128 0.545 1
1 104 . 17 1 1 A 17 17 GLU HA H 17 4.496 4.384 0.112 1
1 109 . 17 1 1 A 18 18 GLY H H 18 8.478 8.880 -0.402 1
1 110 . 17 1 1 A 18 18 GLY HA2 H 18 3.677 3.836 -0.159 1
1 111 . 17 1 1 A 18 18 GLY HA3 H 18 3.947 3.836 0.111 1
1 112 . 17 1 1 A 19 19 SER H H 19 8.696 8.642 0.054 1
1 113 . 17 1 1 A 19 19 SER HA H 19 4.414 4.532 -0.118 1
1 116 . 17 1 1 A 20 20 ASN H H 20 7.971 8.768 -0.797 1
1 117 . 17 1 1 A 20 20 ASN HA H 20 4.893 4.679 0.214 1
1 122 . 17 1 1 A 21 21 VAL H H 21 9.070 8.813 0.257 1
1 123 . 17 1 1 A 21 21 VAL HA H 21 3.437 4.445 -1.008 1
1 131 . 17 1 1 A 22 22 CYS H H 22 8.466 8.321 0.145 1
1 132 . 17 1 1 A 22 22 CYS HA H 22 5.144 4.530 0.614 1
1 135 . 17 1 1 A 23 23 GLY H H 23 9.160 8.379 0.781 1
1 136 . 17 1 1 A 23 23 GLY HA2 H 23 3.861 4.165 -0.304 1
1 137 . 17 1 1 A 23 23 GLY HA3 H 23 4.029 4.196 -0.167 1
1 138 . 17 1 1 A 24 24 GLN H H 24 8.497 8.579 -0.082 1
1 139 . 17 1 1 A 24 24 GLN HA H 24 4.064 4.312 -0.248 1
1 146 . 17 1 1 A 25 25 GLY H H 25 8.442 8.720 -0.278 1
1 147 . 17 1 1 A 25 25 GLY HA2 H 25 3.656 3.966 -0.310 1
1 148 . 17 1 1 A 25 25 GLY HA3 H 25 4.283 3.967 0.316 1
1 149 . 17 1 1 A 26 26 ASN H H 26 8.073 7.595 0.478 1
1 150 . 17 1 1 A 26 26 ASN HA H 26 5.526 5.313 0.213 1
1 155 . 17 1 1 A 27 27 LYS H H 27 9.317 9.701 -0.384 1
1 156 . 17 1 1 A 27 27 LYS HA H 27 4.460 4.921 -0.461 1
1 165 . 17 1 1 A 28 28 CYS H H 28 9.111 9.375 -0.264 1
1 166 . 17 1 1 A 28 28 CYS HA H 28 5.393 5.367 0.026 1
1 169 . 17 1 1 A 29 29 ILE H H 29 9.859 8.840 1.019 1
1 170 . 17 1 1 A 29 29 ILE HA H 29 4.325 4.833 -0.508 1
1 180 . 17 1 1 A 30 30 LEU H H 30 8.364 8.460 -0.096 1
1 181 . 17 1 1 A 30 30 LEU HA H 30 4.178 4.800 -0.622 1
1 191 . 17 1 1 A 31 31 GLY H H 31 9.013 8.867 0.146 1
1 192 . 17 1 1 A 31 31 GLY HA2 H 31 3.417 3.838 -0.421 1
1 193 . 17 1 1 A 31 31 GLY HA3 H 31 3.888 3.839 0.049 1
1 194 . 17 1 1 A 32 32 ARG H H 32 8.113 7.852 0.261 1
1 195 . 17 1 1 A 32 32 ARG HA H 32 4.511 4.333 0.178 1
1 203 . 17 1 1 A 33 33 GLY H H 33 8.454 8.733 -0.279 1
1 204 . 17 1 1 A 33 33 GLY HA2 H 33 4.432 3.844 0.588 1
1 205 . 17 1 1 A 33 33 GLY HA3 H 33 3.806 3.844 -0.038 1
1 206 . 17 1 1 A 34 34 ASP H H 34 8.140 8.663 -0.523 1
1 207 . 17 1 1 A 34 34 ASP HA H 34 4.584 4.709 -0.125 1
1 210 . 17 1 1 A 35 35 SER H H 35 7.982 7.427 0.555 1
1 211 . 17 1 1 A 35 35 SER HA H 35 4.555 4.813 -0.258 1
1 214 . 17 1 1 A 36 36 LYS H H 36 8.213 8.487 -0.274 1
1 215 . 17 1 1 A 36 36 LYS HA H 36 4.571 4.647 -0.076 1
1 224 . 17 1 1 A 37 37 ASN H H 37 8.347 7.934 0.413 1
1 225 . 17 1 1 A 37 37 ASN HA H 37 4.618 5.308 -0.690 1
1 230 . 17 1 1 A 38 38 GLN H H 38 8.527 9.051 -0.524 1
1 231 . 17 1 1 A 38 38 GLN HA H 38 4.764 4.978 -0.214 1
1 238 . 17 1 1 A 39 39 CYS H H 39 10.318 8.584 1.734 1
1 239 . 17 1 1 A 39 39 CYS HA H 39 5.437 4.862 0.575 1
1 242 . 17 1 1 A 40 40 VAL H H 40 9.267 8.669 0.598 1
1 243 . 17 1 1 A 40 40 VAL HA H 40 4.904 4.446 0.458 1
1 251 . 17 1 1 A 41 41 THR H H 41 8.282 8.519 -0.237 1
1 252 . 17 1 1 A 41 41 THR HA H 41 4.470 4.780 -0.310 1
1 257 . 17 1 1 A 42 42 GLY H H 42 8.267 7.909 0.358 1
1 258 . 17 1 1 A 42 42 GLY HA2 H 42 3.687 4.232 -0.545 1
1 259 . 17 1 1 A 42 42 GLY HA3 H 42 4.125 4.233 -0.108 1
1 260 . 17 1 1 A 43 43 GLU H H 43 8.152 8.789 -0.637 1
1 261 . 17 1 1 A 43 43 GLU HA H 43 4.160 5.114 -0.954 1
1 266 . 17 1 1 A 44 44 GLY H H 44 7.853 9.090 -1.237 1
1 267 . 17 1 1 A 44 44 GLY HA2 H 44 4.582 4.095 0.487 1
1 268 . 17 1 1 A 44 44 GLY HA3 H 44 3.541 4.101 -0.560 1
1 269 . 17 1 1 A 45 45 THR H H 45 8.190 8.025 0.165 1
1 270 . 17 1 1 A 45 45 THR HA H 45 4.835 4.858 -0.023 1
1 275 . 17 1 1 A 46 46 PRO HA H 46 4.648 4.460 0.188 1
1 282 . 17 1 1 A 47 47 LYS H H 47 8.357 8.426 -0.069 1
1 283 . 17 1 1 A 47 47 LYS HA H 47 4.451 4.683 -0.232 1
1 292 . 17 1 1 A 48 48 PRO HA H 48 4.464 4.791 -0.327 1
1 299 . 17 1 1 A 49 49 GLN H H 49 8.579 8.128 0.451 1
1 300 . 17 1 1 A 49 49 GLN HA H 49 4.227 4.566 -0.339 1
1 307 . 17 1 1 A 50 50 SER H H 50 8.289 8.314 -0.025 1
1 308 . 17 1 1 A 50 50 SER HA H 50 4.369 4.347 0.022 1
1 9 . 18 1 1 A 2 2 VAL H H 2 8.321 7.368 0.953 1
1 10 . 18 1 1 A 2 2 VAL HA H 2 4.169 4.461 -0.292 1
1 18 . 18 1 1 A 3 3 TYR H H 3 8.329 9.096 -0.767 1
1 19 . 18 1 1 A 3 3 TYR HA H 3 4.998 5.134 -0.136 1
1 26 . 18 1 1 A 4 4 THR H H 4 9.053 9.004 0.049 1
1 27 . 18 1 1 A 4 4 THR HA H 4 4.712 5.006 -0.294 1
1 32 . 18 1 1 A 5 5 ASP H H 5 8.700 8.514 0.186 1
1 33 . 18 1 1 A 5 5 ASP HA H 5 4.803 4.947 -0.144 1
1 36 . 18 1 1 A 6 6 CYS H H 6 8.947 8.560 0.387 1
1 37 . 18 1 1 A 6 6 CYS HA H 6 4.710 4.517 0.193 1
1 40 . 18 1 1 A 7 7 THR H H 7 9.504 9.029 0.475 1
1 41 . 18 1 1 A 7 7 THR HA H 7 4.448 4.509 -0.061 1
1 46 . 18 1 1 A 8 8 GLU H H 8 7.388 7.898 -0.510 1
1 47 . 18 1 1 A 8 8 GLU HA H 8 4.604 4.779 -0.175 1
1 52 . 18 1 1 A 9 9 SER H H 9 9.007 8.796 0.211 1
1 53 . 18 1 1 A 9 9 SER HA H 9 4.871 4.601 0.270 1
1 56 . 18 1 1 A 10 10 GLY H H 10 9.721 9.425 0.296 1
1 57 . 18 1 1 A 10 10 GLY HA2 H 10 3.292 4.023 -0.731 1
1 58 . 18 1 1 A 10 10 GLY HA3 H 10 4.589 4.024 0.565 1
1 59 . 18 1 1 A 11 11 GLN H H 11 7.421 7.314 0.107 1
1 60 . 18 1 1 A 11 11 GLN HA H 11 5.277 4.858 0.419 1
1 67 . 18 1 1 A 12 12 ASN H H 12 8.211 8.529 -0.318 1
1 68 . 18 1 1 A 12 12 ASN HA H 12 4.548 4.838 -0.290 1
1 73 . 18 1 1 A 13 13 LEU H H 13 9.227 8.129 1.098 1
1 74 . 18 1 1 A 13 13 LEU HA H 13 3.297 4.891 -1.594 1
1 84 . 18 1 1 A 14 14 CYS H H 14 7.303 8.910 -1.607 1
1 85 . 18 1 1 A 14 14 CYS HA H 14 5.005 4.914 0.091 1
1 88 . 18 1 1 A 15 15 LEU H H 15 9.081 8.633 0.448 1
1 89 . 18 1 1 A 15 15 LEU HA H 15 4.301 4.490 -0.189 1
1 99 . 18 1 1 A 16 16 CYS H H 16 7.460 8.891 -1.431 1
1 100 . 18 1 1 A 16 16 CYS HA H 16 4.779 4.484 0.295 1
1 103 . 18 1 1 A 17 17 GLU H H 17 8.673 7.814 0.859 1
1 104 . 18 1 1 A 17 17 GLU HA H 17 4.496 4.274 0.222 1
1 109 . 18 1 1 A 18 18 GLY H H 18 8.478 8.794 -0.316 1
1 110 . 18 1 1 A 18 18 GLY HA2 H 18 3.677 3.724 -0.047 1
1 111 . 18 1 1 A 18 18 GLY HA3 H 18 3.947 3.726 0.221 1
1 112 . 18 1 1 A 19 19 SER H H 19 8.696 7.859 0.837 1
1 113 . 18 1 1 A 19 19 SER HA H 19 4.414 4.545 -0.131 1
1 116 . 18 1 1 A 20 20 ASN H H 20 7.971 7.665 0.306 1
1 117 . 18 1 1 A 20 20 ASN HA H 20 4.893 4.877 0.016 1
1 122 . 18 1 1 A 21 21 VAL H H 21 9.070 8.404 0.666 1
1 123 . 18 1 1 A 21 21 VAL HA H 21 3.437 4.215 -0.778 1
1 131 . 18 1 1 A 22 22 CYS H H 22 8.466 8.260 0.206 1
1 132 . 18 1 1 A 22 22 CYS HA H 22 5.144 4.641 0.503 1
1 135 . 18 1 1 A 23 23 GLY H H 23 9.160 8.459 0.701 1
1 136 . 18 1 1 A 23 23 GLY HA2 H 23 3.861 4.273 -0.412 1
1 137 . 18 1 1 A 23 23 GLY HA3 H 23 4.029 4.280 -0.251 1
1 138 . 18 1 1 A 24 24 GLN H H 24 8.497 8.627 -0.130 1
1 139 . 18 1 1 A 24 24 GLN HA H 24 4.064 4.282 -0.218 1
1 146 . 18 1 1 A 25 25 GLY H H 25 8.442 8.856 -0.414 1
1 147 . 18 1 1 A 25 25 GLY HA2 H 25 3.656 4.000 -0.344 1
1 148 . 18 1 1 A 25 25 GLY HA3 H 25 4.283 4.000 0.283 1
1 149 . 18 1 1 A 26 26 ASN H H 26 8.073 7.541 0.532 1
1 150 . 18 1 1 A 26 26 ASN HA H 26 5.526 5.408 0.118 1
1 155 . 18 1 1 A 27 27 LYS H H 27 9.317 9.376 -0.059 1
1 156 . 18 1 1 A 27 27 LYS HA H 27 4.460 4.868 -0.408 1
1 165 . 18 1 1 A 28 28 CYS H H 28 9.111 9.280 -0.169 1
1 166 . 18 1 1 A 28 28 CYS HA H 28 5.393 5.494 -0.101 1
1 169 . 18 1 1 A 29 29 ILE H H 29 9.859 8.943 0.916 1
1 170 . 18 1 1 A 29 29 ILE HA H 29 4.325 4.916 -0.591 1
1 180 . 18 1 1 A 30 30 LEU H H 30 8.364 9.098 -0.734 1
1 181 . 18 1 1 A 30 30 LEU HA H 30 4.178 5.279 -1.101 1
1 191 . 18 1 1 A 31 31 GLY H H 31 9.013 8.302 0.711 1
1 192 . 18 1 1 A 31 31 GLY HA2 H 31 3.417 4.039 -0.622 1
1 193 . 18 1 1 A 31 31 GLY HA3 H 31 3.888 4.039 -0.151 1
1 194 . 18 1 1 A 32 32 ARG H H 32 8.113 8.370 -0.257 1
1 195 . 18 1 1 A 32 32 ARG HA H 32 4.511 4.859 -0.348 1
1 203 . 18 1 1 A 33 33 GLY H H 33 8.454 8.506 -0.052 1
1 204 . 18 1 1 A 33 33 GLY HA2 H 33 4.432 3.943 0.489 1
1 205 . 18 1 1 A 33 33 GLY HA3 H 33 3.806 3.943 -0.137 1
1 206 . 18 1 1 A 34 34 ASP H H 34 8.140 8.912 -0.772 1
1 207 . 18 1 1 A 34 34 ASP HA H 34 4.584 4.591 -0.007 1
1 210 . 18 1 1 A 35 35 SER H H 35 7.982 7.882 0.100 1
1 211 . 18 1 1 A 35 35 SER HA H 35 4.555 4.945 -0.390 1
1 214 . 18 1 1 A 36 36 LYS H H 36 8.213 8.079 0.134 1
1 215 . 18 1 1 A 36 36 LYS HA H 36 4.571 4.114 0.457 1
1 224 . 18 1 1 A 37 37 ASN H H 37 8.347 7.932 0.415 1
1 225 . 18 1 1 A 37 37 ASN HA H 37 4.618 5.352 -0.734 1
1 230 . 18 1 1 A 38 38 GLN H H 38 8.527 9.517 -0.990 1
1 231 . 18 1 1 A 38 38 GLN HA H 38 4.764 5.035 -0.271 1
1 238 . 18 1 1 A 39 39 CYS H H 39 10.318 8.796 1.522 1
1 239 . 18 1 1 A 39 39 CYS HA H 39 5.437 4.906 0.531 1
1 242 . 18 1 1 A 40 40 VAL H H 40 9.267 8.785 0.482 1
1 243 . 18 1 1 A 40 40 VAL HA H 40 4.904 4.723 0.181 1
1 251 . 18 1 1 A 41 41 THR H H 41 8.282 8.508 -0.226 1
1 252 . 18 1 1 A 41 41 THR HA H 41 4.470 4.800 -0.330 1
1 257 . 18 1 1 A 42 42 GLY H H 42 8.267 8.326 -0.059 1
1 258 . 18 1 1 A 42 42 GLY HA2 H 42 3.687 4.254 -0.567 1
1 259 . 18 1 1 A 42 42 GLY HA3 H 42 4.125 4.255 -0.130 1
1 260 . 18 1 1 A 43 43 GLU H H 43 8.152 8.832 -0.680 1
1 261 . 18 1 1 A 43 43 GLU HA H 43 4.160 5.188 -1.028 1
1 266 . 18 1 1 A 44 44 GLY H H 44 7.853 8.963 -1.110 1
1 267 . 18 1 1 A 44 44 GLY HA2 H 44 4.582 4.145 0.437 1
1 268 . 18 1 1 A 44 44 GLY HA3 H 44 3.541 4.146 -0.605 1
1 269 . 18 1 1 A 45 45 THR H H 45 8.190 8.277 -0.087 1
1 270 . 18 1 1 A 45 45 THR HA H 45 4.835 5.240 -0.405 1
1 275 . 18 1 1 A 46 46 PRO HA H 46 4.648 4.526 0.122 1
1 282 . 18 1 1 A 47 47 LYS H H 47 8.357 8.494 -0.137 1
1 283 . 18 1 1 A 47 47 LYS HA H 47 4.451 4.705 -0.254 1
1 292 . 18 1 1 A 48 48 PRO HA H 48 4.464 4.693 -0.229 1
1 299 . 18 1 1 A 49 49 GLN H H 49 8.579 8.143 0.436 1
1 300 . 18 1 1 A 49 49 GLN HA H 49 4.227 4.450 -0.223 1
1 307 . 18 1 1 A 50 50 SER H H 50 8.289 7.961 0.328 1
1 308 . 18 1 1 A 50 50 SER HA H 50 4.369 4.426 -0.057 1
1 9 . 19 1 1 A 2 2 VAL H H 2 8.321 7.792 0.529 1
1 10 . 19 1 1 A 2 2 VAL HA H 2 4.169 4.176 -0.007 1
1 18 . 19 1 1 A 3 3 TYR H H 3 8.329 9.041 -0.712 1
1 19 . 19 1 1 A 3 3 TYR HA H 3 4.998 5.046 -0.048 1
1 26 . 19 1 1 A 4 4 THR H H 4 9.053 8.714 0.339 1
1 27 . 19 1 1 A 4 4 THR HA H 4 4.712 5.050 -0.338 1
1 32 . 19 1 1 A 5 5 ASP H H 5 8.700 8.406 0.294 1
1 33 . 19 1 1 A 5 5 ASP HA H 5 4.803 5.072 -0.269 1
1 36 . 19 1 1 A 6 6 CYS H H 6 8.947 8.976 -0.029 1
1 37 . 19 1 1 A 6 6 CYS HA H 6 4.710 4.530 0.180 1
1 40 . 19 1 1 A 7 7 THR H H 7 9.504 9.079 0.425 1
1 41 . 19 1 1 A 7 7 THR HA H 7 4.448 4.583 -0.135 1
1 46 . 19 1 1 A 8 8 GLU H H 8 7.388 7.568 -0.180 1
1 47 . 19 1 1 A 8 8 GLU HA H 8 4.604 4.724 -0.120 1
1 52 . 19 1 1 A 9 9 SER H H 9 9.007 8.753 0.254 1
1 53 . 19 1 1 A 9 9 SER HA H 9 4.871 4.595 0.276 1
1 56 . 19 1 1 A 10 10 GLY H H 10 9.721 9.554 0.167 1
1 57 . 19 1 1 A 10 10 GLY HA2 H 10 3.292 4.016 -0.724 1
1 58 . 19 1 1 A 10 10 GLY HA3 H 10 4.589 4.017 0.572 1
1 59 . 19 1 1 A 11 11 GLN H H 11 7.421 7.725 -0.304 1
1 60 . 19 1 1 A 11 11 GLN HA H 11 5.277 4.888 0.389 1
1 67 . 19 1 1 A 12 12 ASN H H 12 8.211 8.392 -0.181 1
1 68 . 19 1 1 A 12 12 ASN HA H 12 4.548 4.883 -0.335 1
1 73 . 19 1 1 A 13 13 LEU H H 13 9.227 8.128 1.099 1
1 74 . 19 1 1 A 13 13 LEU HA H 13 3.297 4.827 -1.530 1
1 84 . 19 1 1 A 14 14 CYS H H 14 7.303 9.066 -1.763 1
1 85 . 19 1 1 A 14 14 CYS HA H 14 5.005 4.975 0.030 1
1 88 . 19 1 1 A 15 15 LEU H H 15 9.081 8.710 0.371 1
1 89 . 19 1 1 A 15 15 LEU HA H 15 4.301 4.418 -0.117 1
1 99 . 19 1 1 A 16 16 CYS H H 16 7.460 8.226 -0.766 1
1 100 . 19 1 1 A 16 16 CYS HA H 16 4.779 4.323 0.456 1
1 103 . 19 1 1 A 17 17 GLU H H 17 8.673 7.718 0.955 1
1 104 . 19 1 1 A 17 17 GLU HA H 17 4.496 4.412 0.084 1
1 109 . 19 1 1 A 18 18 GLY H H 18 8.478 8.787 -0.309 1
1 110 . 19 1 1 A 18 18 GLY HA2 H 18 3.677 3.753 -0.076 1
1 111 . 19 1 1 A 18 18 GLY HA3 H 18 3.947 3.755 0.192 1
1 112 . 19 1 1 A 19 19 SER H H 19 8.696 7.775 0.921 1
1 113 . 19 1 1 A 19 19 SER HA H 19 4.414 4.497 -0.083 1
1 116 . 19 1 1 A 20 20 ASN H H 20 7.971 7.725 0.246 1
1 117 . 19 1 1 A 20 20 ASN HA H 20 4.893 4.849 0.044 1
1 122 . 19 1 1 A 21 21 VAL H H 21 9.070 8.106 0.964 1
1 123 . 19 1 1 A 21 21 VAL HA H 21 3.437 4.480 -1.043 1
1 131 . 19 1 1 A 22 22 CYS H H 22 8.466 8.386 0.080 1
1 132 . 19 1 1 A 22 22 CYS HA H 22 5.144 4.419 0.725 1
1 135 . 19 1 1 A 23 23 GLY H H 23 9.160 8.534 0.626 1
1 136 . 19 1 1 A 23 23 GLY HA2 H 23 3.861 4.254 -0.393 1
1 137 . 19 1 1 A 23 23 GLY HA3 H 23 4.029 4.267 -0.238 1
1 138 . 19 1 1 A 24 24 GLN H H 24 8.497 8.464 0.033 1
1 139 . 19 1 1 A 24 24 GLN HA H 24 4.064 4.257 -0.193 1
1 146 . 19 1 1 A 25 25 GLY H H 25 8.442 8.879 -0.437 1
1 147 . 19 1 1 A 25 25 GLY HA2 H 25 3.656 3.978 -0.322 1
1 148 . 19 1 1 A 25 25 GLY HA3 H 25 4.283 3.978 0.305 1
1 149 . 19 1 1 A 26 26 ASN H H 26 8.073 7.551 0.522 1
1 150 . 19 1 1 A 26 26 ASN HA H 26 5.526 5.437 0.089 1
1 155 . 19 1 1 A 27 27 LYS H H 27 9.317 9.489 -0.172 1
1 156 . 19 1 1 A 27 27 LYS HA H 27 4.460 4.971 -0.511 1
1 165 . 19 1 1 A 28 28 CYS H H 28 9.111 9.799 -0.688 1
1 166 . 19 1 1 A 28 28 CYS HA H 28 5.393 5.529 -0.136 1
1 169 . 19 1 1 A 29 29 ILE H H 29 9.859 9.215 0.644 1
1 170 . 19 1 1 A 29 29 ILE HA H 29 4.325 4.963 -0.638 1
1 180 . 19 1 1 A 30 30 LEU H H 30 8.364 9.235 -0.871 1
1 181 . 19 1 1 A 30 30 LEU HA H 30 4.178 5.732 -1.554 1
1 191 . 19 1 1 A 31 31 GLY H H 31 9.013 8.678 0.335 1
1 192 . 19 1 1 A 31 31 GLY HA2 H 31 3.417 4.073 -0.656 1
1 193 . 19 1 1 A 31 31 GLY HA3 H 31 3.888 4.073 -0.185 1
1 194 . 19 1 1 A 32 32 ARG H H 32 8.113 8.252 -0.139 1
1 195 . 19 1 1 A 32 32 ARG HA H 32 4.511 4.721 -0.210 1
1 203 . 19 1 1 A 33 33 GLY H H 33 8.454 8.696 -0.242 1
1 204 . 19 1 1 A 33 33 GLY HA2 H 33 4.432 3.890 0.542 1
1 205 . 19 1 1 A 33 33 GLY HA3 H 33 3.806 3.890 -0.084 1
1 206 . 19 1 1 A 34 34 ASP H H 34 8.140 8.729 -0.589 1
1 207 . 19 1 1 A 34 34 ASP HA H 34 4.584 4.785 -0.201 1
1 210 . 19 1 1 A 35 35 SER H H 35 7.982 8.067 -0.085 1
1 211 . 19 1 1 A 35 35 SER HA H 35 4.555 4.694 -0.139 1
1 214 . 19 1 1 A 36 36 LYS H H 36 8.213 7.919 0.294 1
1 215 . 19 1 1 A 36 36 LYS HA H 36 4.571 4.040 0.531 1
1 224 . 19 1 1 A 37 37 ASN H H 37 8.347 7.951 0.396 1
1 225 . 19 1 1 A 37 37 ASN HA H 37 4.618 5.335 -0.717 1
1 230 . 19 1 1 A 38 38 GLN H H 38 8.527 8.890 -0.363 1
1 231 . 19 1 1 A 38 38 GLN HA H 38 4.764 5.057 -0.293 1
1 238 . 19 1 1 A 39 39 CYS H H 39 10.318 8.599 1.719 1
1 239 . 19 1 1 A 39 39 CYS HA H 39 5.437 4.920 0.517 1
1 242 . 19 1 1 A 40 40 VAL H H 40 9.267 9.234 0.033 1
1 243 . 19 1 1 A 40 40 VAL HA H 40 4.904 4.663 0.241 1
1 251 . 19 1 1 A 41 41 THR H H 41 8.282 8.529 -0.247 1
1 252 . 19 1 1 A 41 41 THR HA H 41 4.470 4.928 -0.458 1
1 257 . 19 1 1 A 42 42 GLY H H 42 8.267 8.259 0.008 1
1 258 . 19 1 1 A 42 42 GLY HA2 H 42 3.687 4.241 -0.554 1
1 259 . 19 1 1 A 42 42 GLY HA3 H 42 4.125 4.242 -0.117 1
1 260 . 19 1 1 A 43 43 GLU H H 43 8.152 8.765 -0.613 1
1 261 . 19 1 1 A 43 43 GLU HA H 43 4.160 5.147 -0.987 1
1 266 . 19 1 1 A 44 44 GLY H H 44 7.853 9.106 -1.253 1
1 267 . 19 1 1 A 44 44 GLY HA2 H 44 4.582 4.116 0.466 1
1 268 . 19 1 1 A 44 44 GLY HA3 H 44 3.541 4.118 -0.577 1
1 269 . 19 1 1 A 45 45 THR H H 45 8.190 8.452 -0.262 1
1 270 . 19 1 1 A 45 45 THR HA H 45 4.835 4.875 -0.040 1
1 275 . 19 1 1 A 46 46 PRO HA H 46 4.648 4.540 0.108 1
1 282 . 19 1 1 A 47 47 LYS H H 47 8.357 8.466 -0.109 1
1 283 . 19 1 1 A 47 47 LYS HA H 47 4.451 4.659 -0.208 1
1 292 . 19 1 1 A 48 48 PRO HA H 48 4.464 4.708 -0.244 1
1 299 . 19 1 1 A 49 49 GLN H H 49 8.579 8.378 0.201 1
1 300 . 19 1 1 A 49 49 GLN HA H 49 4.227 4.538 -0.311 1
1 307 . 19 1 1 A 50 50 SER H H 50 8.289 8.340 -0.051 1
1 308 . 19 1 1 A 50 50 SER HA H 50 4.369 4.476 -0.107 1
1 9 . 20 1 1 A 2 2 VAL H H 2 8.321 8.645 -0.324 1
1 10 . 20 1 1 A 2 2 VAL HA H 2 4.169 4.630 -0.461 1
1 18 . 20 1 1 A 3 3 TYR H H 3 8.329 8.927 -0.598 1
1 19 . 20 1 1 A 3 3 TYR HA H 3 4.998 5.110 -0.112 1
1 26 . 20 1 1 A 4 4 THR H H 4 9.053 9.017 0.036 1
1 27 . 20 1 1 A 4 4 THR HA H 4 4.712 4.995 -0.283 1
1 32 . 20 1 1 A 5 5 ASP H H 5 8.700 8.473 0.227 1
1 33 . 20 1 1 A 5 5 ASP HA H 5 4.803 4.871 -0.068 1
1 36 . 20 1 1 A 6 6 CYS H H 6 8.947 8.953 -0.006 1
1 37 . 20 1 1 A 6 6 CYS HA H 6 4.710 4.548 0.162 1
1 40 . 20 1 1 A 7 7 THR H H 7 9.504 9.049 0.455 1
1 41 . 20 1 1 A 7 7 THR HA H 7 4.448 4.514 -0.066 1
1 46 . 20 1 1 A 8 8 GLU H H 8 7.388 7.714 -0.326 1
1 47 . 20 1 1 A 8 8 GLU HA H 8 4.604 4.651 -0.047 1
1 52 . 20 1 1 A 9 9 SER H H 9 9.007 8.791 0.216 1
1 53 . 20 1 1 A 9 9 SER HA H 9 4.871 4.613 0.258 1
1 56 . 20 1 1 A 10 10 GLY H H 10 9.721 9.378 0.343 1
1 57 . 20 1 1 A 10 10 GLY HA2 H 10 3.292 3.991 -0.699 1
1 58 . 20 1 1 A 10 10 GLY HA3 H 10 4.589 3.993 0.596 1
1 59 . 20 1 1 A 11 11 GLN H H 11 7.421 7.731 -0.310 1
1 60 . 20 1 1 A 11 11 GLN HA H 11 5.277 4.839 0.438 1
1 67 . 20 1 1 A 12 12 ASN H H 12 8.211 8.484 -0.273 1
1 68 . 20 1 1 A 12 12 ASN HA H 12 4.548 4.842 -0.294 1
1 73 . 20 1 1 A 13 13 LEU H H 13 9.227 8.034 1.193 1
1 74 . 20 1 1 A 13 13 LEU HA H 13 3.297 4.574 -1.277 1
1 84 . 20 1 1 A 14 14 CYS H H 14 7.303 8.860 -1.557 1
1 85 . 20 1 1 A 14 14 CYS HA H 14 5.005 4.753 0.252 1
1 88 . 20 1 1 A 15 15 LEU H H 15 9.081 9.236 -0.155 1
1 89 . 20 1 1 A 15 15 LEU HA H 15 4.301 4.289 0.012 1
1 99 . 20 1 1 A 16 16 CYS H H 16 7.460 8.611 -1.151 1
1 100 . 20 1 1 A 16 16 CYS HA H 16 4.779 4.397 0.382 1
1 103 . 20 1 1 A 17 17 GLU H H 17 8.673 8.237 0.436 1
1 104 . 20 1 1 A 17 17 GLU HA H 17 4.496 4.201 0.295 1
1 109 . 20 1 1 A 18 18 GLY H H 18 8.478 8.932 -0.454 1
1 110 . 20 1 1 A 18 18 GLY HA2 H 18 3.677 3.853 -0.176 1
1 111 . 20 1 1 A 18 18 GLY HA3 H 18 3.947 3.853 0.094 1
1 112 . 20 1 1 A 19 19 SER H H 19 8.696 8.600 0.096 1
1 113 . 20 1 1 A 19 19 SER HA H 19 4.414 4.531 -0.117 1
1 116 . 20 1 1 A 20 20 ASN H H 20 7.971 8.796 -0.825 1
1 117 . 20 1 1 A 20 20 ASN HA H 20 4.893 4.717 0.176 1
1 122 . 20 1 1 A 21 21 VAL H H 21 9.070 8.739 0.331 1
1 123 . 20 1 1 A 21 21 VAL HA H 21 3.437 4.645 -1.208 1
1 131 . 20 1 1 A 22 22 CYS H H 22 8.466 8.440 0.026 1
1 132 . 20 1 1 A 22 22 CYS HA H 22 5.144 4.466 0.678 1
1 135 . 20 1 1 A 23 23 GLY H H 23 9.160 8.442 0.718 1
1 136 . 20 1 1 A 23 23 GLY HA2 H 23 3.861 4.204 -0.343 1
1 137 . 20 1 1 A 23 23 GLY HA3 H 23 4.029 4.241 -0.212 1
1 138 . 20 1 1 A 24 24 GLN H H 24 8.497 8.510 -0.013 1
1 139 . 20 1 1 A 24 24 GLN HA H 24 4.064 4.278 -0.214 1
1 146 . 20 1 1 A 25 25 GLY H H 25 8.442 8.497 -0.055 1
1 147 . 20 1 1 A 25 25 GLY HA2 H 25 3.656 3.993 -0.337 1
1 148 . 20 1 1 A 25 25 GLY HA3 H 25 4.283 3.993 0.290 1
1 149 . 20 1 1 A 26 26 ASN H H 26 8.073 7.593 0.480 1
1 150 . 20 1 1 A 26 26 ASN HA H 26 5.526 5.323 0.203 1
1 155 . 20 1 1 A 27 27 LYS H H 27 9.317 9.566 -0.249 1
1 156 . 20 1 1 A 27 27 LYS HA H 27 4.460 4.919 -0.459 1
1 165 . 20 1 1 A 28 28 CYS H H 28 9.111 9.671 -0.560 1
1 166 . 20 1 1 A 28 28 CYS HA H 28 5.393 5.309 0.084 1
1 169 . 20 1 1 A 29 29 ILE H H 29 9.859 9.087 0.772 1
1 170 . 20 1 1 A 29 29 ILE HA H 29 4.325 4.867 -0.542 1
1 180 . 20 1 1 A 30 30 LEU H H 30 8.364 8.729 -0.365 1
1 181 . 20 1 1 A 30 30 LEU HA H 30 4.178 5.034 -0.856 1
1 191 . 20 1 1 A 31 31 GLY H H 31 9.013 8.724 0.289 1
1 192 . 20 1 1 A 31 31 GLY HA2 H 31 3.417 4.028 -0.611 1
1 193 . 20 1 1 A 31 31 GLY HA3 H 31 3.888 4.028 -0.140 1
1 194 . 20 1 1 A 32 32 ARG H H 32 8.113 7.922 0.191 1
1 195 . 20 1 1 A 32 32 ARG HA H 32 4.511 4.859 -0.348 1
1 203 . 20 1 1 A 33 33 GLY H H 33 8.454 8.591 -0.137 1
1 204 . 20 1 1 A 33 33 GLY HA2 H 33 4.432 3.981 0.451 1
1 205 . 20 1 1 A 33 33 GLY HA3 H 33 3.806 3.981 -0.175 1
1 206 . 20 1 1 A 34 34 ASP H H 34 8.140 8.899 -0.759 1
1 207 . 20 1 1 A 34 34 ASP HA H 34 4.584 4.595 -0.011 1
1 210 . 20 1 1 A 35 35 SER H H 35 7.982 7.832 0.150 1
1 211 . 20 1 1 A 35 35 SER HA H 35 4.555 4.912 -0.357 1
1 214 . 20 1 1 A 36 36 LYS H H 36 8.213 8.048 0.165 1
1 215 . 20 1 1 A 36 36 LYS HA H 36 4.571 4.184 0.387 1
1 224 . 20 1 1 A 37 37 ASN H H 37 8.347 7.746 0.601 1
1 225 . 20 1 1 A 37 37 ASN HA H 37 4.618 5.323 -0.705 1
1 230 . 20 1 1 A 38 38 GLN H H 38 8.527 9.009 -0.482 1
1 231 . 20 1 1 A 38 38 GLN HA H 38 4.764 5.078 -0.314 1
1 238 . 20 1 1 A 39 39 CYS H H 39 10.318 8.558 1.760 1
1 239 . 20 1 1 A 39 39 CYS HA H 39 5.437 4.889 0.548 1
1 242 . 20 1 1 A 40 40 VAL H H 40 9.267 8.694 0.573 1
1 243 . 20 1 1 A 40 40 VAL HA H 40 4.904 4.440 0.464 1
1 251 . 20 1 1 A 41 41 THR H H 41 8.282 8.503 -0.221 1
1 252 . 20 1 1 A 41 41 THR HA H 41 4.470 4.784 -0.314 1
1 257 . 20 1 1 A 42 42 GLY H H 42 8.267 7.961 0.306 1
1 258 . 20 1 1 A 42 42 GLY HA2 H 42 3.687 4.206 -0.519 1
1 259 . 20 1 1 A 42 42 GLY HA3 H 42 4.125 4.207 -0.082 1
1 260 . 20 1 1 A 43 43 GLU H H 43 8.152 8.526 -0.374 1
1 261 . 20 1 1 A 43 43 GLU HA H 43 4.160 5.055 -0.895 1
1 266 . 20 1 1 A 44 44 GLY H H 44 7.853 9.041 -1.188 1
1 267 . 20 1 1 A 44 44 GLY HA2 H 44 4.582 4.092 0.490 1
1 268 . 20 1 1 A 44 44 GLY HA3 H 44 3.541 4.099 -0.558 1
1 269 . 20 1 1 A 45 45 THR H H 45 8.190 8.426 -0.236 1
1 270 . 20 1 1 A 45 45 THR HA H 45 4.835 5.036 -0.201 1
1 275 . 20 1 1 A 46 46 PRO HA H 46 4.648 4.433 0.215 1
1 282 . 20 1 1 A 47 47 LYS H H 47 8.357 8.404 -0.047 1
1 283 . 20 1 1 A 47 47 LYS HA H 47 4.451 4.685 -0.234 1
1 292 . 20 1 1 A 48 48 PRO HA H 48 4.464 4.698 -0.234 1
1 299 . 20 1 1 A 49 49 GLN H H 49 8.579 8.325 0.254 1
1 300 . 20 1 1 A 49 49 GLN HA H 49 4.227 4.561 -0.334 1
1 307 . 20 1 1 A 50 50 SER H H 50 8.289 7.766 0.523 1
1 308 . 20 1 1 A 50 50 SER HA H 50 4.369 4.686 -0.317 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 47 0.637 1
5 1 1 1 "RMS(OBS, PRED)" HA 57 0.488 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 47 0.615 1
11 1 2 1 "RMS(OBS, PRED)" HA 57 0.437 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 47 0.601 1
17 1 3 1 "RMS(OBS, PRED)" HA 57 0.451 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 47 0.595 1
23 1 4 1 "RMS(OBS, PRED)" HA 57 0.442 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 47 0.576 1
29 1 5 1 "RMS(OBS, PRED)" HA 57 0.410 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 47 0.613 1
35 1 6 1 "RMS(OBS, PRED)" HA 57 0.424 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 47 0.579 1
41 1 7 1 "RMS(OBS, PRED)" HA 57 0.433 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 47 0.617 1
47 1 8 1 "RMS(OBS, PRED)" HA 57 0.400 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 47 0.615 1
53 1 9 1 "RMS(OBS, PRED)" HA 57 0.462 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 47 0.593 1
59 1 10 1 "RMS(OBS, PRED)" HA 57 0.483 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 47 0.602 1
65 1 11 1 "RMS(OBS, PRED)" HA 57 0.479 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 47 0.616 1
71 1 12 1 "RMS(OBS, PRED)" HA 57 0.497 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 47 0.607 1
77 1 13 1 "RMS(OBS, PRED)" HA 57 0.471 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 47 0.635 1
83 1 14 1 "RMS(OBS, PRED)" HA 57 0.438 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 47 0.614 1
89 1 15 1 "RMS(OBS, PRED)" HA 57 0.468 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 47 0.572 1
95 1 16 1 "RMS(OBS, PRED)" HA 57 0.430 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 47 0.616 1
101 1 17 1 "RMS(OBS, PRED)" HA 57 0.433 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 47 0.658 1
107 1 18 1 "RMS(OBS, PRED)" HA 57 0.460 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 47 0.623 1
113 1 19 1 "RMS(OBS, PRED)" HA 57 0.493 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 47 0.595 1
119 1 20 1 "RMS(OBS, PRED)" HA 57 0.451 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 9 . 1 1 A 2 2 VAL H H 2 8.321 8.361 -0.040 2
1 10 . 1 1 A 2 2 VAL HA H 2 4.169 4.455 -0.285 2
1 18 . 1 1 A 3 3 TYR H H 3 8.329 8.946 -0.617 2
1 19 . 1 1 A 3 3 TYR HA H 3 4.998 5.101 -0.103 2
1 26 . 1 1 A 4 4 THR H H 4 9.053 8.899 0.154 2
1 27 . 1 1 A 4 4 THR HA H 4 4.712 5.021 -0.309 2
1 32 . 1 1 A 5 5 ASP H H 5 8.700 8.511 0.189 2
1 33 . 1 1 A 5 5 ASP HA H 5 4.803 4.965 -0.162 2
1 36 . 1 1 A 6 6 CYS H H 6 8.947 8.787 0.160 2
1 37 . 1 1 A 6 6 CYS HA H 6 4.710 4.532 0.178 2
1 40 . 1 1 A 7 7 THR H H 7 9.504 9.003 0.501 2
1 41 . 1 1 A 7 7 THR HA H 7 4.448 4.505 -0.057 2
1 46 . 1 1 A 8 8 GLU H H 8 7.388 7.720 -0.332 2
1 47 . 1 1 A 8 8 GLU HA H 8 4.604 4.726 -0.122 2
1 52 . 1 1 A 9 9 SER H H 9 9.007 8.795 0.212 2
1 53 . 1 1 A 9 9 SER HA H 9 4.871 4.578 0.293 2
1 56 . 1 1 A 10 10 GLY H H 10 9.721 9.527 0.194 2
1 57 . 1 1 A 10 10 GLY HA2 H 10 3.292 3.998 -0.706 2
1 58 . 1 1 A 10 10 GLY HA3 H 10 4.589 4.000 0.589 2
1 59 . 1 1 A 11 11 GLN H H 11 7.421 7.542 -0.121 2
1 60 . 1 1 A 11 11 GLN HA H 11 5.277 4.871 0.406 2
1 67 . 1 1 A 12 12 ASN H H 12 8.211 8.507 -0.296 2
1 68 . 1 1 A 12 12 ASN HA H 12 4.548 4.819 -0.271 2
1 73 . 1 1 A 13 13 LEU H H 13 9.227 8.007 1.220 2
1 74 . 1 1 A 13 13 LEU HA H 13 3.297 4.755 -1.458 2
1 84 . 1 1 A 14 14 CYS H H 14 7.303 9.002 -1.700 2
1 85 . 1 1 A 14 14 CYS HA H 14 5.005 4.836 0.169 2
1 88 . 1 1 A 15 15 LEU H H 15 9.081 9.086 -0.005 2
1 89 . 1 1 A 15 15 LEU HA H 15 4.301 4.535 -0.234 2
1 99 . 1 1 A 16 16 CYS H H 16 7.460 8.613 -1.153 2
1 100 . 1 1 A 16 16 CYS HA H 16 4.779 4.441 0.338 2
1 103 . 1 1 A 17 17 GLU H H 17 8.673 7.997 0.676 2
1 104 . 1 1 A 17 17 GLU HA H 17 4.496 4.304 0.192 2
1 109 . 1 1 A 18 18 GLY H H 18 8.478 8.861 -0.383 2
1 110 . 1 1 A 18 18 GLY HA2 H 18 3.677 3.807 -0.130 2
1 111 . 1 1 A 18 18 GLY HA3 H 18 3.947 3.808 0.139 2
1 112 . 1 1 A 19 19 SER H H 19 8.696 8.248 0.448 2
1 113 . 1 1 A 19 19 SER HA H 19 4.414 4.554 -0.140 2
1 116 . 1 1 A 20 20 ASN H H 20 7.971 8.217 -0.246 2
1 117 . 1 1 A 20 20 ASN HA H 20 4.893 4.770 0.123 2
1 122 . 1 1 A 21 21 VAL H H 21 9.070 8.618 0.452 2
1 123 . 1 1 A 21 21 VAL HA H 21 3.437 4.423 -0.986 2
1 131 . 1 1 A 22 22 CYS H H 22 8.466 8.376 0.090 2
1 132 . 1 1 A 22 22 CYS HA H 22 5.144 4.494 0.650 2
1 135 . 1 1 A 23 23 GLY H H 23 9.160 8.489 0.671 2
1 136 . 1 1 A 23 23 GLY HA2 H 23 3.861 4.200 -0.339 2
1 137 . 1 1 A 23 23 GLY HA3 H 23 4.029 4.231 -0.202 2
1 138 . 1 1 A 24 24 GLN H H 24 8.497 8.510 -0.013 2
1 139 . 1 1 A 24 24 GLN HA H 24 4.064 4.276 -0.212 2
1 146 . 1 1 A 25 25 GLY H H 25 8.442 8.791 -0.349 2
1 147 . 1 1 A 25 25 GLY HA2 H 25 3.656 3.994 -0.338 2
1 148 . 1 1 A 25 25 GLY HA3 H 25 4.283 3.994 0.289 2
1 149 . 1 1 A 26 26 ASN H H 26 8.073 7.594 0.479 2
1 150 . 1 1 A 26 26 ASN HA H 26 5.526 5.368 0.158 2
1 155 . 1 1 A 27 27 LYS H H 27 9.317 9.365 -0.048 2
1 156 . 1 1 A 27 27 LYS HA H 27 4.460 4.812 -0.352 2
1 165 . 1 1 A 28 28 CYS H H 28 9.111 9.527 -0.416 2
1 166 . 1 1 A 28 28 CYS HA H 28 5.393 5.499 -0.106 2
1 169 . 1 1 A 29 29 ILE H H 29 9.859 9.051 0.808 2
1 170 . 1 1 A 29 29 ILE HA H 29 4.325 4.910 -0.585 2
1 180 . 1 1 A 30 30 LEU H H 30 8.364 8.793 -0.429 2
1 181 . 1 1 A 30 30 LEU HA H 30 4.178 5.197 -1.020 2
1 191 . 1 1 A 31 31 GLY H H 31 9.013 8.464 0.549 2
1 192 . 1 1 A 31 31 GLY HA2 H 31 3.417 4.042 -0.625 2
1 193 . 1 1 A 31 31 GLY HA3 H 31 3.888 4.043 -0.155 2
1 194 . 1 1 A 32 32 ARG H H 32 8.113 8.192 -0.079 2
1 195 . 1 1 A 32 32 ARG HA H 32 4.511 4.728 -0.217 2
1 203 . 1 1 A 33 33 GLY H H 33 8.454 8.709 -0.255 2
1 204 . 1 1 A 33 33 GLY HA2 H 33 4.432 3.902 0.530 2
1 205 . 1 1 A 33 33 GLY HA3 H 33 3.806 3.903 -0.097 2
1 206 . 1 1 A 34 34 ASP H H 34 8.140 8.766 -0.626 2
1 207 . 1 1 A 34 34 ASP HA H 34 4.584 4.659 -0.075 2
1 210 . 1 1 A 35 35 SER H H 35 7.982 7.721 0.261 2
1 211 . 1 1 A 35 35 SER HA H 35 4.555 4.721 -0.166 2
1 214 . 1 1 A 36 36 LYS H H 36 8.213 8.217 -0.004 2
1 215 . 1 1 A 36 36 LYS HA H 36 4.571 4.284 0.287 2
1 224 . 1 1 A 37 37 ASN H H 37 8.347 7.840 0.507 2
1 225 . 1 1 A 37 37 ASN HA H 37 4.618 5.143 -0.525 2
1 230 . 1 1 A 38 38 GLN H H 38 8.527 8.912 -0.385 2
1 231 . 1 1 A 38 38 GLN HA H 38 4.764 4.999 -0.235 2
1 238 . 1 1 A 39 39 CYS H H 39 10.318 8.643 1.675 2
1 239 . 1 1 A 39 39 CYS HA H 39 5.437 4.930 0.507 2
1 242 . 1 1 A 40 40 VAL H H 40 9.267 8.859 0.408 2
1 243 . 1 1 A 40 40 VAL HA H 40 4.904 4.535 0.369 2
1 251 . 1 1 A 41 41 THR H H 41 8.282 8.507 -0.224 2
1 252 . 1 1 A 41 41 THR HA H 41 4.470 4.801 -0.331 2
1 257 . 1 1 A 42 42 GLY H H 42 8.267 8.115 0.152 2
1 258 . 1 1 A 42 42 GLY HA2 H 42 3.687 4.227 -0.540 2
1 259 . 1 1 A 42 42 GLY HA3 H 42 4.125 4.228 -0.103 2
1 260 . 1 1 A 43 43 GLU H H 43 8.152 8.671 -0.519 2
1 261 . 1 1 A 43 43 GLU HA H 43 4.160 5.090 -0.930 2
1 266 . 1 1 A 44 44 GLY H H 44 7.853 8.713 -0.860 2
1 267 . 1 1 A 44 44 GLY HA2 H 44 4.582 4.091 0.491 2
1 268 . 1 1 A 44 44 GLY HA3 H 44 3.541 4.095 -0.554 2
1 269 . 1 1 A 45 45 THR H H 45 8.190 8.233 -0.043 2
1 270 . 1 1 A 45 45 THR HA H 45 4.835 4.924 -0.089 2
1 275 . 1 1 A 46 46 PRO HA H 46 4.648 4.484 0.164 2
1 282 . 1 1 A 47 47 LYS H H 47 8.357 8.447 -0.090 2
1 283 . 1 1 A 47 47 LYS HA H 47 4.451 4.624 -0.173 2
1 292 . 1 1 A 48 48 PRO HA H 48 4.464 4.601 -0.137 2
1 299 . 1 1 A 49 49 GLN H H 49 8.579 8.299 0.280 2
1 300 . 1 1 A 49 49 GLN HA H 49 4.227 4.550 -0.323 2
1 307 . 1 1 A 50 50 SER H H 50 8.289 7.961 0.328 2
1 308 . 1 1 A 50 50 SER HA H 50 4.369 4.533 -0.164 2
stop_
save_