data_15555_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15555
_Entry.PDB_ID 2JXD
_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 15
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 2 2 GLN H H 2 7.383 8.540 -1.157 1
1 2 . 1 1 1 A 2 2 GLN HA H 2 4.528 4.420 0.108 1
1 5 . 1 1 1 A 3 3 PHE H H 3 8.341 8.399 -0.058 1
1 6 . 1 1 1 A 3 3 PHE HA H 3 4.579 4.444 0.135 1
1 11 . 1 1 1 A 4 4 GLY H H 4 8.274 8.585 -0.311 1
1 12 . 1 1 1 A 4 4 GLY HA2 H 4 3.782 4.003 -0.221 1
1 13 . 1 1 1 A 4 4 GLY HA3 H 4 3.782 4.114 -0.332 1
1 14 . 1 1 1 A 5 5 LEU H H 5 7.937 8.503 -0.566 1
1 15 . 1 1 1 A 5 5 LEU HA H 5 4.123 4.826 -0.703 1
1 19 . 1 1 1 A 6 6 PHE H H 6 8.101 7.933 0.168 1
1 20 . 1 1 1 A 6 6 PHE HA H 6 4.394 4.267 0.127 1
1 25 . 1 1 1 A 7 7 SER H H 7 8.000 7.726 0.274 1
1 26 . 1 1 1 A 7 7 SER HA H 7 4.224 4.707 -0.483 1
1 29 . 1 1 1 A 8 8 LYS H H 8 7.915 8.612 -0.697 1
1 30 . 1 1 1 A 8 8 LYS HA H 8 4.200 3.884 0.316 1
1 35 . 1 1 1 A 9 9 TYR H H 9 7.768 7.999 -0.231 1
1 36 . 1 1 1 A 9 9 TYR HA H 9 4.821 4.952 -0.131 1
1 43 . 1 1 1 A 10 10 ARG H H 10 8.602 8.573 0.029 1
1 44 . 1 1 1 A 10 10 ARG HA H 10 4.584 4.964 -0.380 1
1 52 . 1 1 1 A 11 11 THR H H 11 8.902 8.742 0.160 1
1 53 . 1 1 1 A 11 11 THR HA H 11 4.494 4.684 -0.190 1
1 58 . 1 1 1 A 12 12 PRO HA H 12 4.210 4.531 -0.321 1
1 61 . 1 1 1 A 13 13 ASN H H 13 8.202 8.591 -0.389 1
1 62 . 1 1 1 A 13 13 ASN HA H 13 4.858 4.917 -0.059 1
1 67 . 1 1 1 A 14 14 CYS H H 14 8.282 8.903 -0.621 1
1 68 . 1 1 1 A 14 14 CYS HA H 14 5.035 4.677 0.358 1
1 71 . 1 1 1 A 15 15 SER H H 15 8.318 8.484 -0.166 1
1 72 . 1 1 1 A 15 15 SER HA H 15 4.066 4.754 -0.688 1
1 75 . 1 1 1 A 16 16 GLN H H 16 7.327 7.515 -0.188 1
1 76 . 1 1 1 A 16 16 GLN HA H 16 4.031 4.492 -0.461 1
1 83 . 1 1 1 A 17 17 TYR H H 17 7.125 8.433 -1.308 1
1 84 . 1 1 1 A 17 17 TYR HA H 17 4.771 4.113 0.658 1
1 91 . 1 1 1 A 18 18 ARG H H 18 8.137 7.707 0.430 1
1 92 . 1 1 1 A 18 18 ARG HA H 18 4.298 4.383 -0.085 1
1 99 . 1 1 1 A 19 19 LEU H H 19 8.000 7.945 0.055 1
1 100 . 1 1 1 A 19 19 LEU HA H 19 4.628 4.729 -0.101 1
1 110 . 1 1 1 A 20 20 PRO HA H 20 4.311 4.393 -0.082 1
1 117 . 1 1 1 A 21 21 GLY H H 21 7.610 7.669 -0.059 1
1 118 . 1 1 1 A 21 21 GLY HA2 H 21 3.903 3.986 -0.083 1
1 119 . 1 1 1 A 21 21 GLY HA3 H 21 3.903 3.989 -0.086 1
1 120 . 1 1 1 A 22 22 CYS H H 22 8.250 8.468 -0.218 1
1 121 . 1 1 1 A 22 22 CYS HA H 22 5.245 5.159 0.086 1
1 124 . 1 1 1 A 23 23 PRO HA H 23 4.394 4.659 -0.265 1
1 131 . 1 1 1 A 24 24 ARG H H 24 8.583 8.846 -0.263 1
1 132 . 1 1 1 A 24 24 ARG HA H 24 4.147 4.221 -0.074 1
1 137 . 1 1 1 A 25 25 HIS H H 25 7.302 9.174 -1.872 1
1 138 . 1 1 1 A 25 25 HIS HA H 25 4.519 5.201 -0.682 1
1 142 . 1 1 1 A 26 26 PHE H H 26 8.873 8.727 0.146 1
1 143 . 1 1 1 A 26 26 PHE HA H 26 4.610 5.202 -0.592 1
1 150 . 1 1 1 A 27 27 ASN H H 27 8.579 8.936 -0.357 1
1 151 . 1 1 1 A 27 27 ASN HA H 27 4.741 5.397 -0.656 1
1 156 . 1 1 1 A 28 28 PRO HA H 28 4.453 4.438 0.015 1
1 163 . 1 1 1 A 29 29 VAL H H 29 8.082 7.935 0.147 1
1 164 . 1 1 1 A 29 29 VAL HA H 29 4.621 4.540 0.081 1
1 172 . 1 1 1 A 30 30 CYS H H 30 8.303 9.082 -0.779 1
1 173 . 1 1 1 A 30 30 CYS HA H 30 5.212 5.304 -0.092 1
1 176 . 1 1 1 A 31 31 GLY H H 31 9.261 8.758 0.503 1
1 177 . 1 1 1 A 31 31 GLY HA2 H 31 4.457 3.925 0.532 1
1 178 . 1 1 1 A 31 31 GLY HA3 H 31 4.457 4.354 0.103 1
1 179 . 1 1 1 A 32 32 SER H H 32 8.992 8.912 0.080 1
1 180 . 1 1 1 A 32 32 SER HA H 32 3.885 4.322 -0.437 1
1 183 . 1 1 1 A 33 33 ASP H H 33 8.252 7.885 0.367 1
1 184 . 1 1 1 A 33 33 ASP HA H 33 4.455 4.827 -0.372 1
1 187 . 1 1 1 A 34 34 MET H H 34 8.849 7.720 1.129 1
1 188 . 1 1 1 A 34 34 MET HA H 34 4.249 4.065 0.184 1
1 191 . 1 1 1 A 35 35 SER H H 35 7.388 7.475 -0.087 1
1 192 . 1 1 1 A 35 35 SER HA H 35 4.568 4.836 -0.268 1
1 195 . 1 1 1 A 36 36 THR H H 36 8.453 8.642 -0.189 1
1 196 . 1 1 1 A 36 36 THR HA H 36 4.680 4.472 0.208 1
1 201 . 1 1 1 A 37 37 TYR H H 37 9.204 9.056 0.148 1
1 202 . 1 1 1 A 37 37 TYR HA H 37 4.368 5.426 -1.058 1
1 209 . 1 1 1 A 38 38 ALA H H 38 8.682 8.532 0.150 1
1 210 . 1 1 1 A 38 38 ALA HA H 38 4.600 4.703 -0.103 1
1 214 . 1 1 1 A 39 39 ASN H H 39 8.654 8.380 0.274 1
1 215 . 1 1 1 A 39 39 ASN HA H 39 4.625 4.118 0.507 1
1 218 . 1 1 1 A 40 40 GLU H H 40 8.314 8.573 -0.259 1
1 219 . 1 1 1 A 40 40 GLU HA H 40 4.334 3.898 0.436 1
1 224 . 1 1 1 A 41 41 CYS H H 41 8.213 7.902 0.311 1
1 225 . 1 1 1 A 41 41 CYS HA H 41 3.783 4.632 -0.849 1
1 228 . 1 1 1 A 42 42 THR H H 42 8.282 7.491 0.791 1
1 229 . 1 1 1 A 42 42 THR HA H 42 4.314 4.337 -0.023 1
1 233 . 1 1 1 A 43 43 LEU H H 43 7.235 7.878 -0.643 1
1 234 . 1 1 1 A 43 43 LEU HA H 43 3.364 3.680 -0.316 1
1 244 . 1 1 1 A 44 44 CYS H H 44 8.325 8.438 -0.113 1
1 245 . 1 1 1 A 44 44 CYS HA H 44 4.225 4.317 -0.092 1
1 248 . 1 1 1 A 45 45 MET H H 45 8.336 7.864 0.472 1
1 249 . 1 1 1 A 45 45 MET HA H 45 4.136 4.110 0.026 1
1 254 . 1 1 1 A 46 46 LYS H H 46 7.558 7.686 -0.128 1
1 255 . 1 1 1 A 46 46 LYS HA H 46 4.152 3.998 0.154 1
1 260 . 1 1 1 A 47 47 ILE H H 47 8.145 8.756 -0.611 1
1 261 . 1 1 1 A 47 47 ILE HA H 47 3.697 4.056 -0.359 1
1 268 . 1 1 1 A 48 48 ARG H H 48 7.898 8.494 -0.596 1
1 269 . 1 1 1 A 48 48 ARG HA H 48 3.978 4.096 -0.118 1
1 274 . 1 1 1 A 49 49 GLU H H 49 8.146 7.395 0.751 1
1 275 . 1 1 1 A 49 49 GLU HA H 49 4.144 4.509 -0.365 1
1 280 . 1 1 1 A 50 50 GLY H H 50 8.056 8.148 -0.092 1
1 281 . 1 1 1 A 50 50 GLY HA2 H 50 4.052 3.795 0.257 1
1 282 . 1 1 1 A 50 50 GLY HA3 H 50 4.052 3.799 0.253 1
1 283 . 1 1 1 A 51 51 GLY H H 51 7.863 8.478 -0.615 1
1 284 . 1 1 1 A 51 51 GLY HA2 H 51 3.816 3.966 -0.150 1
1 285 . 1 1 1 A 51 51 GLY HA3 H 51 3.816 4.034 -0.218 1
1 286 . 1 1 1 A 52 52 HIS H H 52 7.963 7.461 0.502 1
1 287 . 1 1 1 A 52 52 HIS HA H 52 4.736 5.177 -0.441 1
1 290 . 1 1 1 A 53 53 ASN H H 53 8.810 8.727 0.083 1
1 291 . 1 1 1 A 53 53 ASN HA H 53 4.436 4.759 -0.323 1
1 296 . 1 1 1 A 54 54 ILE H H 54 6.778 7.893 -1.115 1
1 297 . 1 1 1 A 54 54 ILE HA H 54 3.786 4.054 -0.268 1
1 304 . 1 1 1 A 55 55 LYS H H 55 8.100 8.955 -0.855 1
1 305 . 1 1 1 A 55 55 LYS HA H 55 4.592 5.072 -0.480 1
1 310 . 1 1 1 A 56 56 ILE H H 56 8.898 8.586 0.312 1
1 311 . 1 1 1 A 56 56 ILE HA H 56 4.190 4.328 -0.138 1
1 316 . 1 1 1 A 57 57 ILE H H 57 8.835 9.075 -0.240 1
1 317 . 1 1 1 A 57 57 ILE HA H 57 4.005 3.339 0.666 1
1 327 . 1 1 1 A 58 58 ARG H H 58 7.161 7.849 -0.688 1
1 328 . 1 1 1 A 58 58 ARG HA H 58 4.316 4.721 -0.405 1
1 333 . 1 1 1 A 59 59 ASN H H 59 8.669 8.857 -0.188 1
1 334 . 1 1 1 A 59 59 ASN HA H 59 4.804 4.614 0.190 1
1 339 . 1 1 1 A 60 60 GLY H H 60 7.870 7.607 0.263 1
1 340 . 1 1 1 A 60 60 GLY HA2 H 60 3.769 4.113 -0.344 1
1 341 . 1 1 1 A 60 60 GLY HA3 H 60 3.769 4.123 -0.354 1
1 1 . 2 1 1 A 2 2 GLN H H 2 7.383 8.913 -1.530 1
1 2 . 2 1 1 A 2 2 GLN HA H 2 4.528 5.211 -0.683 1
1 5 . 2 1 1 A 3 3 PHE H H 3 8.341 9.016 -0.675 1
1 6 . 2 1 1 A 3 3 PHE HA H 3 4.579 4.957 -0.378 1
1 11 . 2 1 1 A 4 4 GLY H H 4 8.274 8.109 0.165 1
1 12 . 2 1 1 A 4 4 GLY HA2 H 4 3.782 2.927 0.855 1
1 13 . 2 1 1 A 4 4 GLY HA3 H 4 3.782 3.328 0.454 1
1 14 . 2 1 1 A 5 5 LEU H H 5 7.937 8.056 -0.119 1
1 15 . 2 1 1 A 5 5 LEU HA H 5 4.123 4.473 -0.350 1
1 19 . 2 1 1 A 6 6 PHE H H 6 8.101 7.303 0.798 1
1 20 . 2 1 1 A 6 6 PHE HA H 6 4.394 4.507 -0.113 1
1 25 . 2 1 1 A 7 7 SER H H 7 8.000 7.318 0.682 1
1 26 . 2 1 1 A 7 7 SER HA H 7 4.224 4.584 -0.360 1
1 29 . 2 1 1 A 8 8 LYS H H 8 7.915 8.660 -0.745 1
1 30 . 2 1 1 A 8 8 LYS HA H 8 4.200 4.466 -0.266 1
1 35 . 2 1 1 A 9 9 TYR H H 9 7.768 8.659 -0.891 1
1 36 . 2 1 1 A 9 9 TYR HA H 9 4.821 4.454 0.367 1
1 43 . 2 1 1 A 10 10 ARG H H 10 8.602 8.285 0.317 1
1 44 . 2 1 1 A 10 10 ARG HA H 10 4.584 5.243 -0.659 1
1 52 . 2 1 1 A 11 11 THR H H 11 8.902 9.186 -0.284 1
1 53 . 2 1 1 A 11 11 THR HA H 11 4.494 5.030 -0.536 1
1 58 . 2 1 1 A 12 12 PRO HA H 12 4.210 4.590 -0.380 1
1 61 . 2 1 1 A 13 13 ASN H H 13 8.202 8.547 -0.345 1
1 62 . 2 1 1 A 13 13 ASN HA H 13 4.858 4.879 -0.021 1
1 67 . 2 1 1 A 14 14 CYS H H 14 8.282 8.608 -0.326 1
1 68 . 2 1 1 A 14 14 CYS HA H 14 5.035 4.923 0.112 1
1 71 . 2 1 1 A 15 15 SER H H 15 8.318 8.579 -0.261 1
1 72 . 2 1 1 A 15 15 SER HA H 15 4.066 4.252 -0.186 1
1 75 . 2 1 1 A 16 16 GLN H H 16 7.327 7.734 -0.407 1
1 76 . 2 1 1 A 16 16 GLN HA H 16 4.031 4.485 -0.454 1
1 83 . 2 1 1 A 17 17 TYR H H 17 7.125 7.344 -0.219 1
1 84 . 2 1 1 A 17 17 TYR HA H 17 4.771 4.647 0.124 1
1 91 . 2 1 1 A 18 18 ARG H H 18 8.137 8.043 0.094 1
1 92 . 2 1 1 A 18 18 ARG HA H 18 4.298 4.434 -0.136 1
1 99 . 2 1 1 A 19 19 LEU H H 19 8.000 8.521 -0.521 1
1 100 . 2 1 1 A 19 19 LEU HA H 19 4.628 4.700 -0.072 1
1 110 . 2 1 1 A 20 20 PRO HA H 20 4.311 4.408 -0.097 1
1 117 . 2 1 1 A 21 21 GLY H H 21 7.610 7.610 0.000 1
1 118 . 2 1 1 A 21 21 GLY HA2 H 21 3.903 3.941 -0.038 1
1 119 . 2 1 1 A 21 21 GLY HA3 H 21 3.903 3.942 -0.039 1
1 120 . 2 1 1 A 22 22 CYS H H 22 8.250 7.849 0.401 1
1 121 . 2 1 1 A 22 22 CYS HA H 22 5.245 5.134 0.111 1
1 124 . 2 1 1 A 23 23 PRO HA H 23 4.394 4.717 -0.323 1
1 131 . 2 1 1 A 24 24 ARG H H 24 8.583 9.209 -0.626 1
1 132 . 2 1 1 A 24 24 ARG HA H 24 4.147 4.351 -0.204 1
1 137 . 2 1 1 A 25 25 HIS H H 25 7.302 7.825 -0.523 1
1 138 . 2 1 1 A 25 25 HIS HA H 25 4.519 4.895 -0.376 1
1 142 . 2 1 1 A 26 26 PHE H H 26 8.873 8.729 0.144 1
1 143 . 2 1 1 A 26 26 PHE HA H 26 4.610 5.023 -0.413 1
1 150 . 2 1 1 A 27 27 ASN H H 27 8.579 8.812 -0.233 1
1 151 . 2 1 1 A 27 27 ASN HA H 27 4.741 5.146 -0.405 1
1 156 . 2 1 1 A 28 28 PRO HA H 28 4.453 4.387 0.066 1
1 163 . 2 1 1 A 29 29 VAL H H 29 8.082 7.704 0.378 1
1 164 . 2 1 1 A 29 29 VAL HA H 29 4.621 4.498 0.123 1
1 172 . 2 1 1 A 30 30 CYS H H 30 8.303 9.194 -0.891 1
1 173 . 2 1 1 A 30 30 CYS HA H 30 5.212 5.276 -0.064 1
1 176 . 2 1 1 A 31 31 GLY H H 31 9.261 8.583 0.678 1
1 177 . 2 1 1 A 31 31 GLY HA2 H 31 4.457 3.785 0.672 1
1 178 . 2 1 1 A 31 31 GLY HA3 H 31 4.457 4.126 0.331 1
1 179 . 2 1 1 A 32 32 SER H H 32 8.992 8.676 0.316 1
1 180 . 2 1 1 A 32 32 SER HA H 32 3.885 4.356 -0.471 1
1 183 . 2 1 1 A 33 33 ASP H H 33 8.252 8.368 -0.116 1
1 184 . 2 1 1 A 33 33 ASP HA H 33 4.455 4.622 -0.167 1
1 187 . 2 1 1 A 34 34 MET H H 34 8.849 7.599 1.250 1
1 188 . 2 1 1 A 34 34 MET HA H 34 4.249 4.726 -0.477 1
1 191 . 2 1 1 A 35 35 SER H H 35 7.388 7.571 -0.183 1
1 192 . 2 1 1 A 35 35 SER HA H 35 4.568 4.731 -0.163 1
1 195 . 2 1 1 A 36 36 THR H H 36 8.453 8.391 0.062 1
1 196 . 2 1 1 A 36 36 THR HA H 36 4.680 4.628 0.052 1
1 201 . 2 1 1 A 37 37 TYR H H 37 9.204 9.100 0.104 1
1 202 . 2 1 1 A 37 37 TYR HA H 37 4.368 5.418 -1.050 1
1 209 . 2 1 1 A 38 38 ALA H H 38 8.682 8.837 -0.155 1
1 210 . 2 1 1 A 38 38 ALA HA H 38 4.600 4.370 0.230 1
1 214 . 2 1 1 A 39 39 ASN H H 39 8.654 7.649 1.005 1
1 215 . 2 1 1 A 39 39 ASN HA H 39 4.625 4.649 -0.024 1
1 218 . 2 1 1 A 40 40 GLU H H 40 8.314 8.929 -0.615 1
1 219 . 2 1 1 A 40 40 GLU HA H 40 4.334 4.346 -0.012 1
1 224 . 2 1 1 A 41 41 CYS H H 41 8.213 7.853 0.360 1
1 225 . 2 1 1 A 41 41 CYS HA H 41 3.783 4.798 -1.015 1
1 228 . 2 1 1 A 42 42 THR H H 42 8.282 8.110 0.172 1
1 229 . 2 1 1 A 42 42 THR HA H 42 4.314 4.458 -0.144 1
1 233 . 2 1 1 A 43 43 LEU H H 43 7.235 7.959 -0.724 1
1 234 . 2 1 1 A 43 43 LEU HA H 43 3.364 3.637 -0.273 1
1 244 . 2 1 1 A 44 44 CYS H H 44 8.325 8.017 0.308 1
1 245 . 2 1 1 A 44 44 CYS HA H 44 4.225 4.254 -0.029 1
1 248 . 2 1 1 A 45 45 MET H H 45 8.336 7.994 0.342 1
1 249 . 2 1 1 A 45 45 MET HA H 45 4.136 4.272 -0.136 1
1 254 . 2 1 1 A 46 46 LYS H H 46 7.558 7.541 0.017 1
1 255 . 2 1 1 A 46 46 LYS HA H 46 4.152 4.039 0.113 1
1 260 . 2 1 1 A 47 47 ILE H H 47 8.145 8.761 -0.616 1
1 261 . 2 1 1 A 47 47 ILE HA H 47 3.697 4.150 -0.453 1
1 268 . 2 1 1 A 48 48 ARG H H 48 7.898 7.652 0.246 1
1 269 . 2 1 1 A 48 48 ARG HA H 48 3.978 4.142 -0.164 1
1 274 . 2 1 1 A 49 49 GLU H H 49 8.146 8.012 0.134 1
1 275 . 2 1 1 A 49 49 GLU HA H 49 4.144 4.548 -0.404 1
1 280 . 2 1 1 A 50 50 GLY H H 50 8.056 8.064 -0.008 1
1 281 . 2 1 1 A 50 50 GLY HA2 H 50 4.052 3.923 0.129 1
1 282 . 2 1 1 A 50 50 GLY HA3 H 50 4.052 3.931 0.121 1
1 283 . 2 1 1 A 51 51 GLY H H 51 7.863 8.577 -0.714 1
1 284 . 2 1 1 A 51 51 GLY HA2 H 51 3.816 4.057 -0.241 1
1 285 . 2 1 1 A 51 51 GLY HA3 H 51 3.816 4.092 -0.276 1
1 286 . 2 1 1 A 52 52 HIS H H 52 7.963 8.099 -0.136 1
1 287 . 2 1 1 A 52 52 HIS HA H 52 4.736 5.142 -0.406 1
1 290 . 2 1 1 A 53 53 ASN H H 53 8.810 8.762 0.048 1
1 291 . 2 1 1 A 53 53 ASN HA H 53 4.436 5.018 -0.582 1
1 296 . 2 1 1 A 54 54 ILE H H 54 6.778 7.845 -1.067 1
1 297 . 2 1 1 A 54 54 ILE HA H 54 3.786 4.264 -0.478 1
1 304 . 2 1 1 A 55 55 LYS H H 55 8.100 8.416 -0.316 1
1 305 . 2 1 1 A 55 55 LYS HA H 55 4.592 5.014 -0.422 1
1 310 . 2 1 1 A 56 56 ILE H H 56 8.898 8.812 0.086 1
1 311 . 2 1 1 A 56 56 ILE HA H 56 4.190 4.865 -0.675 1
1 316 . 2 1 1 A 57 57 ILE H H 57 8.835 9.214 -0.379 1
1 317 . 2 1 1 A 57 57 ILE HA H 57 4.005 4.138 -0.133 1
1 327 . 2 1 1 A 58 58 ARG H H 58 7.161 7.631 -0.470 1
1 328 . 2 1 1 A 58 58 ARG HA H 58 4.316 4.660 -0.344 1
1 333 . 2 1 1 A 59 59 ASN H H 59 8.669 8.565 0.104 1
1 334 . 2 1 1 A 59 59 ASN HA H 59 4.804 5.067 -0.263 1
1 339 . 2 1 1 A 60 60 GLY H H 60 7.870 7.500 0.370 1
1 340 . 2 1 1 A 60 60 GLY HA2 H 60 3.769 4.113 -0.344 1
1 341 . 2 1 1 A 60 60 GLY HA3 H 60 3.769 4.119 -0.350 1
1 1 . 3 1 1 A 2 2 GLN H H 2 7.383 8.532 -1.149 1
1 2 . 3 1 1 A 2 2 GLN HA H 2 4.528 4.005 0.523 1
1 5 . 3 1 1 A 3 3 PHE H H 3 8.341 9.118 -0.777 1
1 6 . 3 1 1 A 3 3 PHE HA H 3 4.579 4.535 0.044 1
1 11 . 3 1 1 A 4 4 GLY H H 4 8.274 8.555 -0.281 1
1 12 . 3 1 1 A 4 4 GLY HA2 H 4 3.782 3.916 -0.134 1
1 13 . 3 1 1 A 4 4 GLY HA3 H 4 3.782 4.001 -0.219 1
1 14 . 3 1 1 A 5 5 LEU H H 5 7.937 7.807 0.130 1
1 15 . 3 1 1 A 5 5 LEU HA H 5 4.123 4.078 0.045 1
1 19 . 3 1 1 A 6 6 PHE H H 6 8.101 7.496 0.605 1
1 20 . 3 1 1 A 6 6 PHE HA H 6 4.394 4.119 0.275 1
1 25 . 3 1 1 A 7 7 SER H H 7 8.000 7.861 0.139 1
1 26 . 3 1 1 A 7 7 SER HA H 7 4.224 4.732 -0.508 1
1 29 . 3 1 1 A 8 8 LYS H H 8 7.915 8.213 -0.298 1
1 30 . 3 1 1 A 8 8 LYS HA H 8 4.200 4.036 0.164 1
1 35 . 3 1 1 A 9 9 TYR H H 9 7.768 8.244 -0.476 1
1 36 . 3 1 1 A 9 9 TYR HA H 9 4.821 4.423 0.398 1
1 43 . 3 1 1 A 10 10 ARG H H 10 8.602 8.780 -0.178 1
1 44 . 3 1 1 A 10 10 ARG HA H 10 4.584 4.915 -0.331 1
1 52 . 3 1 1 A 11 11 THR H H 11 8.902 8.853 0.049 1
1 53 . 3 1 1 A 11 11 THR HA H 11 4.494 4.710 -0.216 1
1 58 . 3 1 1 A 12 12 PRO HA H 12 4.210 4.599 -0.389 1
1 61 . 3 1 1 A 13 13 ASN H H 13 8.202 8.635 -0.433 1
1 62 . 3 1 1 A 13 13 ASN HA H 13 4.858 4.650 0.208 1
1 67 . 3 1 1 A 14 14 CYS H H 14 8.282 9.171 -0.889 1
1 68 . 3 1 1 A 14 14 CYS HA H 14 5.035 4.343 0.692 1
1 71 . 3 1 1 A 15 15 SER H H 15 8.318 7.951 0.367 1
1 72 . 3 1 1 A 15 15 SER HA H 15 4.066 4.101 -0.035 1
1 75 . 3 1 1 A 16 16 GLN H H 16 7.327 7.529 -0.202 1
1 76 . 3 1 1 A 16 16 GLN HA H 16 4.031 4.364 -0.333 1
1 83 . 3 1 1 A 17 17 TYR H H 17 7.125 7.990 -0.865 1
1 84 . 3 1 1 A 17 17 TYR HA H 17 4.771 4.879 -0.108 1
1 91 . 3 1 1 A 18 18 ARG H H 18 8.137 8.741 -0.604 1
1 92 . 3 1 1 A 18 18 ARG HA H 18 4.298 4.651 -0.353 1
1 99 . 3 1 1 A 19 19 LEU H H 19 8.000 8.658 -0.658 1
1 100 . 3 1 1 A 19 19 LEU HA H 19 4.628 4.148 0.480 1
1 110 . 3 1 1 A 20 20 PRO HA H 20 4.311 4.557 -0.246 1
1 117 . 3 1 1 A 21 21 GLY H H 21 7.610 8.036 -0.426 1
1 118 . 3 1 1 A 21 21 GLY HA2 H 21 3.903 3.958 -0.055 1
1 119 . 3 1 1 A 21 21 GLY HA3 H 21 3.903 3.968 -0.065 1
1 120 . 3 1 1 A 22 22 CYS H H 22 8.250 8.523 -0.273 1
1 121 . 3 1 1 A 22 22 CYS HA H 22 5.245 5.112 0.133 1
1 124 . 3 1 1 A 23 23 PRO HA H 23 4.394 4.534 -0.140 1
1 131 . 3 1 1 A 24 24 ARG H H 24 8.583 8.863 -0.280 1
1 132 . 3 1 1 A 24 24 ARG HA H 24 4.147 4.651 -0.504 1
1 137 . 3 1 1 A 25 25 HIS H H 25 7.302 8.027 -0.725 1
1 138 . 3 1 1 A 25 25 HIS HA H 25 4.519 4.176 0.343 1
1 142 . 3 1 1 A 26 26 PHE H H 26 8.873 7.422 1.451 1
1 143 . 3 1 1 A 26 26 PHE HA H 26 4.610 5.187 -0.577 1
1 150 . 3 1 1 A 27 27 ASN H H 27 8.579 8.890 -0.311 1
1 151 . 3 1 1 A 27 27 ASN HA H 27 4.741 5.350 -0.609 1
1 156 . 3 1 1 A 28 28 PRO HA H 28 4.453 4.378 0.075 1
1 163 . 3 1 1 A 29 29 VAL H H 29 8.082 7.794 0.288 1
1 164 . 3 1 1 A 29 29 VAL HA H 29 4.621 4.557 0.064 1
1 172 . 3 1 1 A 30 30 CYS H H 30 8.303 9.302 -0.999 1
1 173 . 3 1 1 A 30 30 CYS HA H 30 5.212 5.160 0.052 1
1 176 . 3 1 1 A 31 31 GLY H H 31 9.261 8.456 0.805 1
1 177 . 3 1 1 A 31 31 GLY HA2 H 31 4.457 3.643 0.814 1
1 178 . 3 1 1 A 31 31 GLY HA3 H 31 4.457 4.004 0.453 1
1 179 . 3 1 1 A 32 32 SER H H 32 8.992 8.843 0.149 1
1 180 . 3 1 1 A 32 32 SER HA H 32 3.885 4.271 -0.386 1
1 183 . 3 1 1 A 33 33 ASP H H 33 8.252 7.792 0.460 1
1 184 . 3 1 1 A 33 33 ASP HA H 33 4.455 4.618 -0.163 1
1 187 . 3 1 1 A 34 34 MET H H 34 8.849 7.987 0.862 1
1 188 . 3 1 1 A 34 34 MET HA H 34 4.249 4.009 0.240 1
1 191 . 3 1 1 A 35 35 SER H H 35 7.388 7.539 -0.151 1
1 192 . 3 1 1 A 35 35 SER HA H 35 4.568 4.747 -0.179 1
1 195 . 3 1 1 A 36 36 THR H H 36 8.453 8.634 -0.181 1
1 196 . 3 1 1 A 36 36 THR HA H 36 4.680 4.447 0.233 1
1 201 . 3 1 1 A 37 37 TYR H H 37 9.204 8.892 0.312 1
1 202 . 3 1 1 A 37 37 TYR HA H 37 4.368 5.769 -1.401 1
1 209 . 3 1 1 A 38 38 ALA H H 38 8.682 8.366 0.316 1
1 210 . 3 1 1 A 38 38 ALA HA H 38 4.600 4.588 0.012 1
1 214 . 3 1 1 A 39 39 ASN H H 39 8.654 8.909 -0.255 1
1 215 . 3 1 1 A 39 39 ASN HA H 39 4.625 5.163 -0.538 1
1 218 . 3 1 1 A 40 40 GLU H H 40 8.314 8.807 -0.493 1
1 219 . 3 1 1 A 40 40 GLU HA H 40 4.334 3.966 0.368 1
1 224 . 3 1 1 A 41 41 CYS H H 41 8.213 7.819 0.394 1
1 225 . 3 1 1 A 41 41 CYS HA H 41 3.783 4.584 -0.801 1
1 228 . 3 1 1 A 42 42 THR H H 42 8.282 7.516 0.766 1
1 229 . 3 1 1 A 42 42 THR HA H 42 4.314 4.226 0.088 1
1 233 . 3 1 1 A 43 43 LEU H H 43 7.235 8.344 -1.109 1
1 234 . 3 1 1 A 43 43 LEU HA H 43 3.364 3.829 -0.465 1
1 244 . 3 1 1 A 44 44 CYS H H 44 8.325 8.307 0.018 1
1 245 . 3 1 1 A 44 44 CYS HA H 44 4.225 4.383 -0.158 1
1 248 . 3 1 1 A 45 45 MET H H 45 8.336 7.893 0.443 1
1 249 . 3 1 1 A 45 45 MET HA H 45 4.136 4.176 -0.040 1
1 254 . 3 1 1 A 46 46 LYS H H 46 7.558 7.612 -0.054 1
1 255 . 3 1 1 A 46 46 LYS HA H 46 4.152 4.047 0.105 1
1 260 . 3 1 1 A 47 47 ILE H H 47 8.145 9.083 -0.938 1
1 261 . 3 1 1 A 47 47 ILE HA H 47 3.697 4.043 -0.346 1
1 268 . 3 1 1 A 48 48 ARG H H 48 7.898 7.309 0.589 1
1 269 . 3 1 1 A 48 48 ARG HA H 48 3.978 4.135 -0.157 1
1 274 . 3 1 1 A 49 49 GLU H H 49 8.146 8.025 0.121 1
1 275 . 3 1 1 A 49 49 GLU HA H 49 4.144 4.558 -0.414 1
1 280 . 3 1 1 A 50 50 GLY H H 50 8.056 8.619 -0.563 1
1 281 . 3 1 1 A 50 50 GLY HA2 H 50 4.052 3.945 0.107 1
1 282 . 3 1 1 A 50 50 GLY HA3 H 50 4.052 3.968 0.084 1
1 283 . 3 1 1 A 51 51 GLY H H 51 7.863 7.906 -0.043 1
1 284 . 3 1 1 A 51 51 GLY HA2 H 51 3.816 3.923 -0.107 1
1 285 . 3 1 1 A 51 51 GLY HA3 H 51 3.816 3.979 -0.163 1
1 286 . 3 1 1 A 52 52 HIS H H 52 7.963 7.528 0.435 1
1 287 . 3 1 1 A 52 52 HIS HA H 52 4.736 5.169 -0.433 1
1 290 . 3 1 1 A 53 53 ASN H H 53 8.810 8.883 -0.073 1
1 291 . 3 1 1 A 53 53 ASN HA H 53 4.436 4.789 -0.353 1
1 296 . 3 1 1 A 54 54 ILE H H 54 6.778 8.398 -1.620 1
1 297 . 3 1 1 A 54 54 ILE HA H 54 3.786 4.063 -0.277 1
1 304 . 3 1 1 A 55 55 LYS H H 55 8.100 8.395 -0.295 1
1 305 . 3 1 1 A 55 55 LYS HA H 55 4.592 5.062 -0.470 1
1 310 . 3 1 1 A 56 56 ILE H H 56 8.898 8.209 0.689 1
1 311 . 3 1 1 A 56 56 ILE HA H 56 4.190 4.681 -0.491 1
1 316 . 3 1 1 A 57 57 ILE H H 57 8.835 8.864 -0.029 1
1 317 . 3 1 1 A 57 57 ILE HA H 57 4.005 3.238 0.767 1
1 327 . 3 1 1 A 58 58 ARG H H 58 7.161 7.174 -0.013 1
1 328 . 3 1 1 A 58 58 ARG HA H 58 4.316 4.609 -0.293 1
1 333 . 3 1 1 A 59 59 ASN H H 59 8.669 8.711 -0.042 1
1 334 . 3 1 1 A 59 59 ASN HA H 59 4.804 4.791 0.013 1
1 339 . 3 1 1 A 60 60 GLY H H 60 7.870 7.532 0.338 1
1 340 . 3 1 1 A 60 60 GLY HA2 H 60 3.769 4.065 -0.296 1
1 341 . 3 1 1 A 60 60 GLY HA3 H 60 3.769 4.071 -0.302 1
1 1 . 4 1 1 A 2 2 GLN H H 2 7.383 9.238 -1.855 1
1 2 . 4 1 1 A 2 2 GLN HA H 2 4.528 4.469 0.059 1
1 5 . 4 1 1 A 3 3 PHE H H 3 8.341 7.562 0.779 1
1 6 . 4 1 1 A 3 3 PHE HA H 3 4.579 4.781 -0.202 1
1 11 . 4 1 1 A 4 4 GLY H H 4 8.274 7.622 0.652 1
1 12 . 4 1 1 A 4 4 GLY HA2 H 4 3.782 3.827 -0.045 1
1 13 . 4 1 1 A 4 4 GLY HA3 H 4 3.782 4.024 -0.242 1
1 14 . 4 1 1 A 5 5 LEU H H 5 7.937 8.404 -0.467 1
1 15 . 4 1 1 A 5 5 LEU HA H 5 4.123 4.489 -0.366 1
1 19 . 4 1 1 A 6 6 PHE H H 6 8.101 8.306 -0.205 1
1 20 . 4 1 1 A 6 6 PHE HA H 6 4.394 4.089 0.305 1
1 25 . 4 1 1 A 7 7 SER H H 7 8.000 8.738 -0.738 1
1 26 . 4 1 1 A 7 7 SER HA H 7 4.224 4.404 -0.180 1
1 29 . 4 1 1 A 8 8 LYS H H 8 7.915 7.819 0.096 1
1 30 . 4 1 1 A 8 8 LYS HA H 8 4.200 4.235 -0.035 1
1 35 . 4 1 1 A 9 9 TYR H H 9 7.768 8.531 -0.763 1
1 36 . 4 1 1 A 9 9 TYR HA H 9 4.821 4.974 -0.153 1
1 43 . 4 1 1 A 10 10 ARG H H 10 8.602 8.892 -0.290 1
1 44 . 4 1 1 A 10 10 ARG HA H 10 4.584 5.314 -0.730 1
1 52 . 4 1 1 A 11 11 THR H H 11 8.902 8.701 0.201 1
1 53 . 4 1 1 A 11 11 THR HA H 11 4.494 4.975 -0.481 1
1 58 . 4 1 1 A 12 12 PRO HA H 12 4.210 4.525 -0.315 1
1 61 . 4 1 1 A 13 13 ASN H H 13 8.202 8.599 -0.397 1
1 62 . 4 1 1 A 13 13 ASN HA H 13 4.858 4.867 -0.009 1
1 67 . 4 1 1 A 14 14 CYS H H 14 8.282 8.961 -0.679 1
1 68 . 4 1 1 A 14 14 CYS HA H 14 5.035 4.560 0.475 1
1 71 . 4 1 1 A 15 15 SER H H 15 8.318 7.910 0.408 1
1 72 . 4 1 1 A 15 15 SER HA H 15 4.066 5.022 -0.956 1
1 75 . 4 1 1 A 16 16 GLN H H 16 7.327 8.109 -0.782 1
1 76 . 4 1 1 A 16 16 GLN HA H 16 4.031 4.404 -0.373 1
1 83 . 4 1 1 A 17 17 TYR H H 17 7.125 7.616 -0.491 1
1 84 . 4 1 1 A 17 17 TYR HA H 17 4.771 4.966 -0.195 1
1 91 . 4 1 1 A 18 18 ARG H H 18 8.137 8.833 -0.696 1
1 92 . 4 1 1 A 18 18 ARG HA H 18 4.298 4.471 -0.173 1
1 99 . 4 1 1 A 19 19 LEU H H 19 8.000 7.645 0.355 1
1 100 . 4 1 1 A 19 19 LEU HA H 19 4.628 4.769 -0.141 1
1 110 . 4 1 1 A 20 20 PRO HA H 20 4.311 4.246 0.065 1
1 117 . 4 1 1 A 21 21 GLY H H 21 7.610 8.035 -0.425 1
1 118 . 4 1 1 A 21 21 GLY HA2 H 21 3.903 3.921 -0.018 1
1 119 . 4 1 1 A 21 21 GLY HA3 H 21 3.903 3.930 -0.027 1
1 120 . 4 1 1 A 22 22 CYS H H 22 8.250 8.270 -0.020 1
1 121 . 4 1 1 A 22 22 CYS HA H 22 5.245 4.840 0.405 1
1 124 . 4 1 1 A 23 23 PRO HA H 23 4.394 4.671 -0.277 1
1 131 . 4 1 1 A 24 24 ARG H H 24 8.583 8.370 0.213 1
1 132 . 4 1 1 A 24 24 ARG HA H 24 4.147 4.040 0.107 1
1 137 . 4 1 1 A 25 25 HIS H H 25 7.302 8.916 -1.614 1
1 138 . 4 1 1 A 25 25 HIS HA H 25 4.519 5.065 -0.546 1
1 142 . 4 1 1 A 26 26 PHE H H 26 8.873 8.420 0.453 1
1 143 . 4 1 1 A 26 26 PHE HA H 26 4.610 5.551 -0.941 1
1 150 . 4 1 1 A 27 27 ASN H H 27 8.579 8.868 -0.289 1
1 151 . 4 1 1 A 27 27 ASN HA H 27 4.741 5.659 -0.918 1
1 156 . 4 1 1 A 28 28 PRO HA H 28 4.453 4.356 0.097 1
1 163 . 4 1 1 A 29 29 VAL H H 29 8.082 7.919 0.163 1
1 164 . 4 1 1 A 29 29 VAL HA H 29 4.621 4.536 0.085 1
1 172 . 4 1 1 A 30 30 CYS H H 30 8.303 8.972 -0.669 1
1 173 . 4 1 1 A 30 30 CYS HA H 30 5.212 5.336 -0.124 1
1 176 . 4 1 1 A 31 31 GLY H H 31 9.261 8.544 0.717 1
1 177 . 4 1 1 A 31 31 GLY HA2 H 31 4.457 3.772 0.685 1
1 178 . 4 1 1 A 31 31 GLY HA3 H 31 4.457 4.107 0.350 1
1 179 . 4 1 1 A 32 32 SER H H 32 8.992 8.883 0.109 1
1 180 . 4 1 1 A 32 32 SER HA H 32 3.885 4.392 -0.507 1
1 183 . 4 1 1 A 33 33 ASP H H 33 8.252 7.810 0.442 1
1 184 . 4 1 1 A 33 33 ASP HA H 33 4.455 4.805 -0.350 1
1 187 . 4 1 1 A 34 34 MET H H 34 8.849 8.098 0.751 1
1 188 . 4 1 1 A 34 34 MET HA H 34 4.249 4.056 0.193 1
1 191 . 4 1 1 A 35 35 SER H H 35 7.388 7.834 -0.446 1
1 192 . 4 1 1 A 35 35 SER HA H 35 4.568 4.841 -0.273 1
1 195 . 4 1 1 A 36 36 THR H H 36 8.453 8.616 -0.163 1
1 196 . 4 1 1 A 36 36 THR HA H 36 4.680 4.499 0.181 1
1 201 . 4 1 1 A 37 37 TYR H H 37 9.204 8.732 0.472 1
1 202 . 4 1 1 A 37 37 TYR HA H 37 4.368 5.539 -1.171 1
1 209 . 4 1 1 A 38 38 ALA H H 38 8.682 8.885 -0.203 1
1 210 . 4 1 1 A 38 38 ALA HA H 38 4.600 4.902 -0.302 1
1 214 . 4 1 1 A 39 39 ASN H H 39 8.654 8.582 0.072 1
1 215 . 4 1 1 A 39 39 ASN HA H 39 4.625 5.226 -0.601 1
1 218 . 4 1 1 A 40 40 GLU H H 40 8.314 8.423 -0.109 1
1 219 . 4 1 1 A 40 40 GLU HA H 40 4.334 3.914 0.420 1
1 224 . 4 1 1 A 41 41 CYS H H 41 8.213 7.713 0.500 1
1 225 . 4 1 1 A 41 41 CYS HA H 41 3.783 4.564 -0.781 1
1 228 . 4 1 1 A 42 42 THR H H 42 8.282 7.601 0.681 1
1 229 . 4 1 1 A 42 42 THR HA H 42 4.314 4.424 -0.110 1
1 233 . 4 1 1 A 43 43 LEU H H 43 7.235 8.525 -1.290 1
1 234 . 4 1 1 A 43 43 LEU HA H 43 3.364 3.739 -0.375 1
1 244 . 4 1 1 A 44 44 CYS H H 44 8.325 8.027 0.298 1
1 245 . 4 1 1 A 44 44 CYS HA H 44 4.225 4.311 -0.086 1
1 248 . 4 1 1 A 45 45 MET H H 45 8.336 8.190 0.146 1
1 249 . 4 1 1 A 45 45 MET HA H 45 4.136 4.187 -0.051 1
1 254 . 4 1 1 A 46 46 LYS H H 46 7.558 7.712 -0.154 1
1 255 . 4 1 1 A 46 46 LYS HA H 46 4.152 4.048 0.104 1
1 260 . 4 1 1 A 47 47 ILE H H 47 8.145 8.838 -0.693 1
1 261 . 4 1 1 A 47 47 ILE HA H 47 3.697 4.055 -0.358 1
1 268 . 4 1 1 A 48 48 ARG H H 48 7.898 7.330 0.568 1
1 269 . 4 1 1 A 48 48 ARG HA H 48 3.978 4.072 -0.094 1
1 274 . 4 1 1 A 49 49 GLU H H 49 8.146 7.426 0.720 1
1 275 . 4 1 1 A 49 49 GLU HA H 49 4.144 4.563 -0.419 1
1 280 . 4 1 1 A 50 50 GLY H H 50 8.056 8.243 -0.187 1
1 281 . 4 1 1 A 50 50 GLY HA2 H 50 4.052 3.850 0.202 1
1 282 . 4 1 1 A 50 50 GLY HA3 H 50 4.052 3.854 0.198 1
1 283 . 4 1 1 A 51 51 GLY H H 51 7.863 8.382 -0.519 1
1 284 . 4 1 1 A 51 51 GLY HA2 H 51 3.816 4.157 -0.341 1
1 285 . 4 1 1 A 51 51 GLY HA3 H 51 3.816 4.192 -0.376 1
1 286 . 4 1 1 A 52 52 HIS H H 52 7.963 7.253 0.710 1
1 287 . 4 1 1 A 52 52 HIS HA H 52 4.736 4.800 -0.064 1
1 290 . 4 1 1 A 53 53 ASN H H 53 8.810 8.146 0.664 1
1 291 . 4 1 1 A 53 53 ASN HA H 53 4.436 4.684 -0.248 1
1 296 . 4 1 1 A 54 54 ILE H H 54 6.778 7.912 -1.134 1
1 297 . 4 1 1 A 54 54 ILE HA H 54 3.786 4.073 -0.287 1
1 304 . 4 1 1 A 55 55 LYS H H 55 8.100 8.479 -0.379 1
1 305 . 4 1 1 A 55 55 LYS HA H 55 4.592 4.961 -0.369 1
1 310 . 4 1 1 A 56 56 ILE H H 56 8.898 8.654 0.244 1
1 311 . 4 1 1 A 56 56 ILE HA H 56 4.190 4.596 -0.406 1
1 316 . 4 1 1 A 57 57 ILE H H 57 8.835 9.561 -0.726 1
1 317 . 4 1 1 A 57 57 ILE HA H 57 4.005 4.110 -0.105 1
1 327 . 4 1 1 A 58 58 ARG H H 58 7.161 7.671 -0.510 1
1 328 . 4 1 1 A 58 58 ARG HA H 58 4.316 4.790 -0.474 1
1 333 . 4 1 1 A 59 59 ASN H H 59 8.669 8.858 -0.189 1
1 334 . 4 1 1 A 59 59 ASN HA H 59 4.804 4.536 0.268 1
1 339 . 4 1 1 A 60 60 GLY H H 60 7.870 7.592 0.278 1
1 340 . 4 1 1 A 60 60 GLY HA2 H 60 3.769 4.075 -0.306 1
1 341 . 4 1 1 A 60 60 GLY HA3 H 60 3.769 4.076 -0.307 1
1 1 . 5 1 1 A 2 2 GLN H H 2 7.383 8.505 -1.122 1
1 2 . 5 1 1 A 2 2 GLN HA H 2 4.528 4.649 -0.121 1
1 5 . 5 1 1 A 3 3 PHE H H 3 8.341 8.816 -0.475 1
1 6 . 5 1 1 A 3 3 PHE HA H 3 4.579 4.743 -0.164 1
1 11 . 5 1 1 A 4 4 GLY H H 4 8.274 8.022 0.252 1
1 12 . 5 1 1 A 4 4 GLY HA2 H 4 3.782 3.885 -0.103 1
1 13 . 5 1 1 A 4 4 GLY HA3 H 4 3.782 3.993 -0.211 1
1 14 . 5 1 1 A 5 5 LEU H H 5 7.937 8.532 -0.595 1
1 15 . 5 1 1 A 5 5 LEU HA H 5 4.123 4.680 -0.557 1
1 19 . 5 1 1 A 6 6 PHE H H 6 8.101 9.025 -0.924 1
1 20 . 5 1 1 A 6 6 PHE HA H 6 4.394 4.556 -0.162 1
1 25 . 5 1 1 A 7 7 SER H H 7 8.000 8.865 -0.865 1
1 26 . 5 1 1 A 7 7 SER HA H 7 4.224 4.317 -0.093 1
1 29 . 5 1 1 A 8 8 LYS H H 8 7.915 8.157 -0.242 1
1 30 . 5 1 1 A 8 8 LYS HA H 8 4.200 4.321 -0.121 1
1 35 . 5 1 1 A 9 9 TYR H H 9 7.768 7.713 0.055 1
1 36 . 5 1 1 A 9 9 TYR HA H 9 4.821 4.542 0.279 1
1 43 . 5 1 1 A 10 10 ARG H H 10 8.602 8.234 0.368 1
1 44 . 5 1 1 A 10 10 ARG HA H 10 4.584 5.070 -0.486 1
1 52 . 5 1 1 A 11 11 THR H H 11 8.902 8.424 0.478 1
1 53 . 5 1 1 A 11 11 THR HA H 11 4.494 4.869 -0.375 1
1 58 . 5 1 1 A 12 12 PRO HA H 12 4.210 4.806 -0.596 1
1 61 . 5 1 1 A 13 13 ASN H H 13 8.202 8.534 -0.332 1
1 62 . 5 1 1 A 13 13 ASN HA H 13 4.858 4.588 0.270 1
1 67 . 5 1 1 A 14 14 CYS H H 14 8.282 8.898 -0.616 1
1 68 . 5 1 1 A 14 14 CYS HA H 14 5.035 3.699 1.336 1
1 71 . 5 1 1 A 15 15 SER H H 15 8.318 7.781 0.537 1
1 72 . 5 1 1 A 15 15 SER HA H 15 4.066 4.291 -0.225 1
1 75 . 5 1 1 A 16 16 GLN H H 16 7.327 7.753 -0.426 1
1 76 . 5 1 1 A 16 16 GLN HA H 16 4.031 4.411 -0.380 1
1 83 . 5 1 1 A 17 17 TYR H H 17 7.125 7.635 -0.510 1
1 84 . 5 1 1 A 17 17 TYR HA H 17 4.771 5.137 -0.366 1
1 91 . 5 1 1 A 18 18 ARG H H 18 8.137 9.039 -0.902 1
1 92 . 5 1 1 A 18 18 ARG HA H 18 4.298 4.878 -0.580 1
1 99 . 5 1 1 A 19 19 LEU H H 19 8.000 9.037 -1.037 1
1 100 . 5 1 1 A 19 19 LEU HA H 19 4.628 4.735 -0.107 1
1 110 . 5 1 1 A 20 20 PRO HA H 20 4.311 4.501 -0.190 1
1 117 . 5 1 1 A 21 21 GLY H H 21 7.610 8.127 -0.517 1
1 118 . 5 1 1 A 21 21 GLY HA2 H 21 3.903 3.917 -0.014 1
1 119 . 5 1 1 A 21 21 GLY HA3 H 21 3.903 3.925 -0.022 1
1 120 . 5 1 1 A 22 22 CYS H H 22 8.250 7.892 0.358 1
1 121 . 5 1 1 A 22 22 CYS HA H 22 5.245 4.975 0.270 1
1 124 . 5 1 1 A 23 23 PRO HA H 23 4.394 4.390 0.004 1
1 131 . 5 1 1 A 24 24 ARG H H 24 8.583 9.124 -0.541 1
1 132 . 5 1 1 A 24 24 ARG HA H 24 4.147 4.238 -0.091 1
1 137 . 5 1 1 A 25 25 HIS H H 25 7.302 7.745 -0.443 1
1 138 . 5 1 1 A 25 25 HIS HA H 25 4.519 4.777 -0.258 1
1 142 . 5 1 1 A 26 26 PHE H H 26 8.873 8.388 0.485 1
1 143 . 5 1 1 A 26 26 PHE HA H 26 4.610 4.993 -0.383 1
1 150 . 5 1 1 A 27 27 ASN H H 27 8.579 9.015 -0.436 1
1 151 . 5 1 1 A 27 27 ASN HA H 27 4.741 5.542 -0.801 1
1 156 . 5 1 1 A 28 28 PRO HA H 28 4.453 4.409 0.044 1
1 163 . 5 1 1 A 29 29 VAL H H 29 8.082 7.926 0.156 1
1 164 . 5 1 1 A 29 29 VAL HA H 29 4.621 4.563 0.058 1
1 172 . 5 1 1 A 30 30 CYS H H 30 8.303 9.307 -1.004 1
1 173 . 5 1 1 A 30 30 CYS HA H 30 5.212 5.234 -0.022 1
1 176 . 5 1 1 A 31 31 GLY H H 31 9.261 8.486 0.775 1
1 177 . 5 1 1 A 31 31 GLY HA2 H 31 4.457 3.704 0.753 1
1 178 . 5 1 1 A 31 31 GLY HA3 H 31 4.457 4.098 0.359 1
1 179 . 5 1 1 A 32 32 SER H H 32 8.992 8.785 0.207 1
1 180 . 5 1 1 A 32 32 SER HA H 32 3.885 4.352 -0.467 1
1 183 . 5 1 1 A 33 33 ASP H H 33 8.252 7.928 0.324 1
1 184 . 5 1 1 A 33 33 ASP HA H 33 4.455 4.708 -0.253 1
1 187 . 5 1 1 A 34 34 MET H H 34 8.849 8.047 0.802 1
1 188 . 5 1 1 A 34 34 MET HA H 34 4.249 4.059 0.190 1
1 191 . 5 1 1 A 35 35 SER H H 35 7.388 7.486 -0.098 1
1 192 . 5 1 1 A 35 35 SER HA H 35 4.568 4.733 -0.165 1
1 195 . 5 1 1 A 36 36 THR H H 36 8.453 8.528 -0.075 1
1 196 . 5 1 1 A 36 36 THR HA H 36 4.680 4.489 0.191 1
1 201 . 5 1 1 A 37 37 TYR H H 37 9.204 9.017 0.187 1
1 202 . 5 1 1 A 37 37 TYR HA H 37 4.368 6.151 -1.783 1
1 209 . 5 1 1 A 38 38 ALA H H 38 8.682 8.544 0.138 1
1 210 . 5 1 1 A 38 38 ALA HA H 38 4.600 4.922 -0.322 1
1 214 . 5 1 1 A 39 39 ASN H H 39 8.654 8.717 -0.063 1
1 215 . 5 1 1 A 39 39 ASN HA H 39 4.625 4.844 -0.219 1
1 218 . 5 1 1 A 40 40 GLU H H 40 8.314 8.652 -0.338 1
1 219 . 5 1 1 A 40 40 GLU HA H 40 4.334 4.386 -0.052 1
1 224 . 5 1 1 A 41 41 CYS H H 41 8.213 8.165 0.048 1
1 225 . 5 1 1 A 41 41 CYS HA H 41 3.783 4.633 -0.850 1
1 228 . 5 1 1 A 42 42 THR H H 42 8.282 8.235 0.047 1
1 229 . 5 1 1 A 42 42 THR HA H 42 4.314 4.145 0.169 1
1 233 . 5 1 1 A 43 43 LEU H H 43 7.235 8.070 -0.835 1
1 234 . 5 1 1 A 43 43 LEU HA H 43 3.364 3.793 -0.429 1
1 244 . 5 1 1 A 44 44 CYS H H 44 8.325 8.590 -0.265 1
1 245 . 5 1 1 A 44 44 CYS HA H 44 4.225 4.075 0.150 1
1 248 . 5 1 1 A 45 45 MET H H 45 8.336 8.040 0.296 1
1 249 . 5 1 1 A 45 45 MET HA H 45 4.136 4.106 0.030 1
1 254 . 5 1 1 A 46 46 LYS H H 46 7.558 7.599 -0.041 1
1 255 . 5 1 1 A 46 46 LYS HA H 46 4.152 4.004 0.148 1
1 260 . 5 1 1 A 47 47 ILE H H 47 8.145 8.759 -0.614 1
1 261 . 5 1 1 A 47 47 ILE HA H 47 3.697 4.037 -0.340 1
1 268 . 5 1 1 A 48 48 ARG H H 48 7.898 7.866 0.032 1
1 269 . 5 1 1 A 48 48 ARG HA H 48 3.978 4.095 -0.117 1
1 274 . 5 1 1 A 49 49 GLU H H 49 8.146 7.354 0.792 1
1 275 . 5 1 1 A 49 49 GLU HA H 49 4.144 4.519 -0.375 1
1 280 . 5 1 1 A 50 50 GLY H H 50 8.056 8.275 -0.219 1
1 281 . 5 1 1 A 50 50 GLY HA2 H 50 4.052 3.822 0.230 1
1 282 . 5 1 1 A 50 50 GLY HA3 H 50 4.052 3.833 0.219 1
1 283 . 5 1 1 A 51 51 GLY H H 51 7.863 8.429 -0.566 1
1 284 . 5 1 1 A 51 51 GLY HA2 H 51 3.816 4.061 -0.245 1
1 285 . 5 1 1 A 51 51 GLY HA3 H 51 3.816 4.174 -0.358 1
1 286 . 5 1 1 A 52 52 HIS H H 52 7.963 7.931 0.032 1
1 287 . 5 1 1 A 52 52 HIS HA H 52 4.736 5.242 -0.506 1
1 290 . 5 1 1 A 53 53 ASN H H 53 8.810 8.868 -0.058 1
1 291 . 5 1 1 A 53 53 ASN HA H 53 4.436 4.955 -0.519 1
1 296 . 5 1 1 A 54 54 ILE H H 54 6.778 7.816 -1.038 1
1 297 . 5 1 1 A 54 54 ILE HA H 54 3.786 4.042 -0.256 1
1 304 . 5 1 1 A 55 55 LYS H H 55 8.100 8.954 -0.854 1
1 305 . 5 1 1 A 55 55 LYS HA H 55 4.592 4.887 -0.295 1
1 310 . 5 1 1 A 56 56 ILE H H 56 8.898 8.585 0.313 1
1 311 . 5 1 1 A 56 56 ILE HA H 56 4.190 4.609 -0.419 1
1 316 . 5 1 1 A 57 57 ILE H H 57 8.835 9.165 -0.330 1
1 317 . 5 1 1 A 57 57 ILE HA H 57 4.005 4.061 -0.056 1
1 327 . 5 1 1 A 58 58 ARG H H 58 7.161 7.747 -0.586 1
1 328 . 5 1 1 A 58 58 ARG HA H 58 4.316 4.691 -0.375 1
1 333 . 5 1 1 A 59 59 ASN H H 59 8.669 8.748 -0.079 1
1 334 . 5 1 1 A 59 59 ASN HA H 59 4.804 4.638 0.166 1
1 339 . 5 1 1 A 60 60 GLY H H 60 7.870 7.504 0.366 1
1 340 . 5 1 1 A 60 60 GLY HA2 H 60 3.769 4.062 -0.293 1
1 341 . 5 1 1 A 60 60 GLY HA3 H 60 3.769 4.074 -0.305 1
1 1 . 6 1 1 A 2 2 GLN H H 2 7.383 8.921 -1.538 1
1 2 . 6 1 1 A 2 2 GLN HA H 2 4.528 4.440 0.088 1
1 5 . 6 1 1 A 3 3 PHE H H 3 8.341 8.598 -0.257 1
1 6 . 6 1 1 A 3 3 PHE HA H 3 4.579 4.124 0.455 1
1 11 . 6 1 1 A 4 4 GLY H H 4 8.274 8.510 -0.236 1
1 12 . 6 1 1 A 4 4 GLY HA2 H 4 3.782 3.706 0.076 1
1 13 . 6 1 1 A 4 4 GLY HA3 H 4 3.782 3.853 -0.071 1
1 14 . 6 1 1 A 5 5 LEU H H 5 7.937 8.161 -0.224 1
1 15 . 6 1 1 A 5 5 LEU HA H 5 4.123 4.794 -0.671 1
1 19 . 6 1 1 A 6 6 PHE H H 6 8.101 8.938 -0.837 1
1 20 . 6 1 1 A 6 6 PHE HA H 6 4.394 4.640 -0.246 1
1 25 . 6 1 1 A 7 7 SER H H 7 8.000 8.077 -0.077 1
1 26 . 6 1 1 A 7 7 SER HA H 7 4.224 4.787 -0.563 1
1 29 . 6 1 1 A 8 8 LYS H H 8 7.915 8.625 -0.710 1
1 30 . 6 1 1 A 8 8 LYS HA H 8 4.200 4.039 0.161 1
1 35 . 6 1 1 A 9 9 TYR H H 9 7.768 7.980 -0.212 1
1 36 . 6 1 1 A 9 9 TYR HA H 9 4.821 4.849 -0.028 1
1 43 . 6 1 1 A 10 10 ARG H H 10 8.602 8.796 -0.194 1
1 44 . 6 1 1 A 10 10 ARG HA H 10 4.584 5.148 -0.564 1
1 52 . 6 1 1 A 11 11 THR H H 11 8.902 8.743 0.159 1
1 53 . 6 1 1 A 11 11 THR HA H 11 4.494 4.962 -0.468 1
1 58 . 6 1 1 A 12 12 PRO HA H 12 4.210 4.513 -0.303 1
1 61 . 6 1 1 A 13 13 ASN H H 13 8.202 8.600 -0.398 1
1 62 . 6 1 1 A 13 13 ASN HA H 13 4.858 4.963 -0.105 1
1 67 . 6 1 1 A 14 14 CYS H H 14 8.282 8.978 -0.696 1
1 68 . 6 1 1 A 14 14 CYS HA H 14 5.035 4.672 0.363 1
1 71 . 6 1 1 A 15 15 SER H H 15 8.318 8.512 -0.194 1
1 72 . 6 1 1 A 15 15 SER HA H 15 4.066 4.708 -0.642 1
1 75 . 6 1 1 A 16 16 GLN H H 16 7.327 7.601 -0.274 1
1 76 . 6 1 1 A 16 16 GLN HA H 16 4.031 4.474 -0.443 1
1 83 . 6 1 1 A 17 17 TYR H H 17 7.125 8.193 -1.068 1
1 84 . 6 1 1 A 17 17 TYR HA H 17 4.771 4.200 0.571 1
1 91 . 6 1 1 A 18 18 ARG H H 18 8.137 8.258 -0.121 1
1 92 . 6 1 1 A 18 18 ARG HA H 18 4.298 4.708 -0.410 1
1 99 . 6 1 1 A 19 19 LEU H H 19 8.000 8.876 -0.876 1
1 100 . 6 1 1 A 19 19 LEU HA H 19 4.628 4.687 -0.059 1
1 110 . 6 1 1 A 20 20 PRO HA H 20 4.311 4.508 -0.197 1
1 117 . 6 1 1 A 21 21 GLY H H 21 7.610 7.601 0.009 1
1 118 . 6 1 1 A 21 21 GLY HA2 H 21 3.903 4.047 -0.144 1
1 119 . 6 1 1 A 21 21 GLY HA3 H 21 3.903 4.050 -0.147 1
1 120 . 6 1 1 A 22 22 CYS H H 22 8.250 8.084 0.166 1
1 121 . 6 1 1 A 22 22 CYS HA H 22 5.245 5.036 0.209 1
1 124 . 6 1 1 A 23 23 PRO HA H 23 4.394 4.402 -0.008 1
1 131 . 6 1 1 A 24 24 ARG H H 24 8.583 8.147 0.436 1
1 132 . 6 1 1 A 24 24 ARG HA H 24 4.147 4.704 -0.557 1
1 137 . 6 1 1 A 25 25 HIS H H 25 7.302 8.242 -0.940 1
1 138 . 6 1 1 A 25 25 HIS HA H 25 4.519 4.933 -0.414 1
1 142 . 6 1 1 A 26 26 PHE H H 26 8.873 7.908 0.965 1
1 143 . 6 1 1 A 26 26 PHE HA H 26 4.610 5.097 -0.487 1
1 150 . 6 1 1 A 27 27 ASN H H 27 8.579 8.862 -0.283 1
1 151 . 6 1 1 A 27 27 ASN HA H 27 4.741 5.403 -0.662 1
1 156 . 6 1 1 A 28 28 PRO HA H 28 4.453 4.480 -0.027 1
1 163 . 6 1 1 A 29 29 VAL H H 29 8.082 7.738 0.344 1
1 164 . 6 1 1 A 29 29 VAL HA H 29 4.621 4.583 0.038 1
1 172 . 6 1 1 A 30 30 CYS H H 30 8.303 9.043 -0.740 1
1 173 . 6 1 1 A 30 30 CYS HA H 30 5.212 5.292 -0.080 1
1 176 . 6 1 1 A 31 31 GLY H H 31 9.261 8.563 0.698 1
1 177 . 6 1 1 A 31 31 GLY HA2 H 31 4.457 3.672 0.785 1
1 178 . 6 1 1 A 31 31 GLY HA3 H 31 4.457 3.983 0.474 1
1 179 . 6 1 1 A 32 32 SER H H 32 8.992 8.881 0.111 1
1 180 . 6 1 1 A 32 32 SER HA H 32 3.885 4.382 -0.497 1
1 183 . 6 1 1 A 33 33 ASP H H 33 8.252 7.818 0.434 1
1 184 . 6 1 1 A 33 33 ASP HA H 33 4.455 4.716 -0.261 1
1 187 . 6 1 1 A 34 34 MET H H 34 8.849 8.048 0.801 1
1 188 . 6 1 1 A 34 34 MET HA H 34 4.249 4.023 0.226 1
1 191 . 6 1 1 A 35 35 SER H H 35 7.388 7.577 -0.189 1
1 192 . 6 1 1 A 35 35 SER HA H 35 4.568 4.781 -0.213 1
1 195 . 6 1 1 A 36 36 THR H H 36 8.453 8.645 -0.192 1
1 196 . 6 1 1 A 36 36 THR HA H 36 4.680 4.475 0.205 1
1 201 . 6 1 1 A 37 37 TYR H H 37 9.204 8.941 0.263 1
1 202 . 6 1 1 A 37 37 TYR HA H 37 4.368 5.356 -0.988 1
1 209 . 6 1 1 A 38 38 ALA H H 38 8.682 8.386 0.296 1
1 210 . 6 1 1 A 38 38 ALA HA H 38 4.600 4.254 0.346 1
1 214 . 6 1 1 A 39 39 ASN H H 39 8.654 8.002 0.652 1
1 215 . 6 1 1 A 39 39 ASN HA H 39 4.625 4.605 0.020 1
1 218 . 6 1 1 A 40 40 GLU H H 40 8.314 8.832 -0.518 1
1 219 . 6 1 1 A 40 40 GLU HA H 40 4.334 4.236 0.098 1
1 224 . 6 1 1 A 41 41 CYS H H 41 8.213 7.978 0.235 1
1 225 . 6 1 1 A 41 41 CYS HA H 41 3.783 4.745 -0.962 1
1 228 . 6 1 1 A 42 42 THR H H 42 8.282 7.493 0.789 1
1 229 . 6 1 1 A 42 42 THR HA H 42 4.314 4.238 0.076 1
1 233 . 6 1 1 A 43 43 LEU H H 43 7.235 8.043 -0.808 1
1 234 . 6 1 1 A 43 43 LEU HA H 43 3.364 3.707 -0.343 1
1 244 . 6 1 1 A 44 44 CYS H H 44 8.325 8.045 0.280 1
1 245 . 6 1 1 A 44 44 CYS HA H 44 4.225 4.299 -0.074 1
1 248 . 6 1 1 A 45 45 MET H H 45 8.336 8.140 0.196 1
1 249 . 6 1 1 A 45 45 MET HA H 45 4.136 4.233 -0.097 1
1 254 . 6 1 1 A 46 46 LYS H H 46 7.558 7.819 -0.261 1
1 255 . 6 1 1 A 46 46 LYS HA H 46 4.152 4.039 0.113 1
1 260 . 6 1 1 A 47 47 ILE H H 47 8.145 8.713 -0.568 1
1 261 . 6 1 1 A 47 47 ILE HA H 47 3.697 4.118 -0.421 1
1 268 . 6 1 1 A 48 48 ARG H H 48 7.898 7.322 0.576 1
1 269 . 6 1 1 A 48 48 ARG HA H 48 3.978 4.081 -0.103 1
1 274 . 6 1 1 A 49 49 GLU H H 49 8.146 7.438 0.708 1
1 275 . 6 1 1 A 49 49 GLU HA H 49 4.144 4.527 -0.383 1
1 280 . 6 1 1 A 50 50 GLY H H 50 8.056 8.278 -0.222 1
1 281 . 6 1 1 A 50 50 GLY HA2 H 50 4.052 3.801 0.251 1
1 282 . 6 1 1 A 50 50 GLY HA3 H 50 4.052 3.802 0.250 1
1 283 . 6 1 1 A 51 51 GLY H H 51 7.863 8.324 -0.461 1
1 284 . 6 1 1 A 51 51 GLY HA2 H 51 3.816 4.173 -0.357 1
1 285 . 6 1 1 A 51 51 GLY HA3 H 51 3.816 4.205 -0.389 1
1 286 . 6 1 1 A 52 52 HIS H H 52 7.963 7.759 0.204 1
1 287 . 6 1 1 A 52 52 HIS HA H 52 4.736 4.795 -0.059 1
1 290 . 6 1 1 A 53 53 ASN H H 53 8.810 8.399 0.411 1
1 291 . 6 1 1 A 53 53 ASN HA H 53 4.436 4.842 -0.406 1
1 296 . 6 1 1 A 54 54 ILE H H 54 6.778 7.982 -1.204 1
1 297 . 6 1 1 A 54 54 ILE HA H 54 3.786 4.027 -0.241 1
1 304 . 6 1 1 A 55 55 LYS H H 55 8.100 9.055 -0.955 1
1 305 . 6 1 1 A 55 55 LYS HA H 55 4.592 4.748 -0.156 1
1 310 . 6 1 1 A 56 56 ILE H H 56 8.898 8.597 0.301 1
1 311 . 6 1 1 A 56 56 ILE HA H 56 4.190 4.519 -0.329 1
1 316 . 6 1 1 A 57 57 ILE H H 57 8.835 8.988 -0.153 1
1 317 . 6 1 1 A 57 57 ILE HA H 57 4.005 4.154 -0.149 1
1 327 . 6 1 1 A 58 58 ARG H H 58 7.161 7.788 -0.627 1
1 328 . 6 1 1 A 58 58 ARG HA H 58 4.316 4.764 -0.448 1
1 333 . 6 1 1 A 59 59 ASN H H 59 8.669 8.673 -0.004 1
1 334 . 6 1 1 A 59 59 ASN HA H 59 4.804 5.012 -0.208 1
1 339 . 6 1 1 A 60 60 GLY H H 60 7.870 7.665 0.205 1
1 340 . 6 1 1 A 60 60 GLY HA2 H 60 3.769 4.088 -0.319 1
1 341 . 6 1 1 A 60 60 GLY HA3 H 60 3.769 4.103 -0.334 1
1 1 . 7 1 1 A 2 2 GLN H H 2 7.383 8.852 -1.469 1
1 2 . 7 1 1 A 2 2 GLN HA H 2 4.528 4.603 -0.075 1
1 5 . 7 1 1 A 3 3 PHE H H 3 8.341 8.367 -0.026 1
1 6 . 7 1 1 A 3 3 PHE HA H 3 4.579 4.025 0.554 1
1 11 . 7 1 1 A 4 4 GLY H H 4 8.274 7.569 0.705 1
1 12 . 7 1 1 A 4 4 GLY HA2 H 4 3.782 3.955 -0.173 1
1 13 . 7 1 1 A 4 4 GLY HA3 H 4 3.782 4.013 -0.231 1
1 14 . 7 1 1 A 5 5 LEU H H 5 7.937 8.059 -0.122 1
1 15 . 7 1 1 A 5 5 LEU HA H 5 4.123 4.432 -0.309 1
1 19 . 7 1 1 A 6 6 PHE H H 6 8.101 7.796 0.305 1
1 20 . 7 1 1 A 6 6 PHE HA H 6 4.394 4.166 0.228 1
1 25 . 7 1 1 A 7 7 SER H H 7 8.000 8.336 -0.336 1
1 26 . 7 1 1 A 7 7 SER HA H 7 4.224 4.284 -0.060 1
1 29 . 7 1 1 A 8 8 LYS H H 8 7.915 7.630 0.285 1
1 30 . 7 1 1 A 8 8 LYS HA H 8 4.200 4.576 -0.376 1
1 35 . 7 1 1 A 9 9 TYR H H 9 7.768 8.217 -0.449 1
1 36 . 7 1 1 A 9 9 TYR HA H 9 4.821 4.587 0.234 1
1 43 . 7 1 1 A 10 10 ARG H H 10 8.602 8.263 0.339 1
1 44 . 7 1 1 A 10 10 ARG HA H 10 4.584 5.054 -0.470 1
1 52 . 7 1 1 A 11 11 THR H H 11 8.902 8.822 0.080 1
1 53 . 7 1 1 A 11 11 THR HA H 11 4.494 4.830 -0.336 1
1 58 . 7 1 1 A 12 12 PRO HA H 12 4.210 4.656 -0.446 1
1 61 . 7 1 1 A 13 13 ASN H H 13 8.202 8.594 -0.392 1
1 62 . 7 1 1 A 13 13 ASN HA H 13 4.858 5.055 -0.197 1
1 67 . 7 1 1 A 14 14 CYS H H 14 8.282 9.164 -0.882 1
1 68 . 7 1 1 A 14 14 CYS HA H 14 5.035 4.684 0.351 1
1 71 . 7 1 1 A 15 15 SER H H 15 8.318 7.864 0.454 1
1 72 . 7 1 1 A 15 15 SER HA H 15 4.066 4.292 -0.226 1
1 75 . 7 1 1 A 16 16 GLN H H 16 7.327 7.585 -0.258 1
1 76 . 7 1 1 A 16 16 GLN HA H 16 4.031 4.482 -0.451 1
1 83 . 7 1 1 A 17 17 TYR H H 17 7.125 8.497 -1.372 1
1 84 . 7 1 1 A 17 17 TYR HA H 17 4.771 5.016 -0.245 1
1 91 . 7 1 1 A 18 18 ARG H H 18 8.137 8.899 -0.762 1
1 92 . 7 1 1 A 18 18 ARG HA H 18 4.298 4.694 -0.396 1
1 99 . 7 1 1 A 19 19 LEU H H 19 8.000 8.319 -0.319 1
1 100 . 7 1 1 A 19 19 LEU HA H 19 4.628 4.812 -0.184 1
1 110 . 7 1 1 A 20 20 PRO HA H 20 4.311 4.496 -0.185 1
1 117 . 7 1 1 A 21 21 GLY H H 21 7.610 7.562 0.048 1
1 118 . 7 1 1 A 21 21 GLY HA2 H 21 3.903 4.075 -0.172 1
1 119 . 7 1 1 A 21 21 GLY HA3 H 21 3.903 4.081 -0.178 1
1 120 . 7 1 1 A 22 22 CYS H H 22 8.250 8.374 -0.124 1
1 121 . 7 1 1 A 22 22 CYS HA H 22 5.245 4.936 0.309 1
1 124 . 7 1 1 A 23 23 PRO HA H 23 4.394 4.571 -0.177 1
1 131 . 7 1 1 A 24 24 ARG H H 24 8.583 8.677 -0.094 1
1 132 . 7 1 1 A 24 24 ARG HA H 24 4.147 3.884 0.263 1
1 137 . 7 1 1 A 25 25 HIS H H 25 7.302 7.688 -0.386 1
1 138 . 7 1 1 A 25 25 HIS HA H 25 4.519 4.625 -0.106 1
1 142 . 7 1 1 A 26 26 PHE H H 26 8.873 7.983 0.890 1
1 143 . 7 1 1 A 26 26 PHE HA H 26 4.610 5.465 -0.855 1
1 150 . 7 1 1 A 27 27 ASN H H 27 8.579 8.607 -0.028 1
1 151 . 7 1 1 A 27 27 ASN HA H 27 4.741 5.477 -0.736 1
1 156 . 7 1 1 A 28 28 PRO HA H 28 4.453 4.349 0.104 1
1 163 . 7 1 1 A 29 29 VAL H H 29 8.082 7.685 0.397 1
1 164 . 7 1 1 A 29 29 VAL HA H 29 4.621 4.533 0.088 1
1 172 . 7 1 1 A 30 30 CYS H H 30 8.303 9.007 -0.704 1
1 173 . 7 1 1 A 30 30 CYS HA H 30 5.212 5.470 -0.258 1
1 176 . 7 1 1 A 31 31 GLY H H 31 9.261 8.851 0.410 1
1 177 . 7 1 1 A 31 31 GLY HA2 H 31 4.457 4.316 0.141 1
1 178 . 7 1 1 A 31 31 GLY HA3 H 31 4.457 4.525 -0.068 1
1 179 . 7 1 1 A 32 32 SER H H 32 8.992 9.086 -0.094 1
1 180 . 7 1 1 A 32 32 SER HA H 32 3.885 4.258 -0.373 1
1 183 . 7 1 1 A 33 33 ASP H H 33 8.252 8.030 0.222 1
1 184 . 7 1 1 A 33 33 ASP HA H 33 4.455 4.533 -0.078 1
1 187 . 7 1 1 A 34 34 MET H H 34 8.849 7.616 1.233 1
1 188 . 7 1 1 A 34 34 MET HA H 34 4.249 4.042 0.207 1
1 191 . 7 1 1 A 35 35 SER H H 35 7.388 7.491 -0.103 1
1 192 . 7 1 1 A 35 35 SER HA H 35 4.568 4.784 -0.216 1
1 195 . 7 1 1 A 36 36 THR H H 36 8.453 8.592 -0.139 1
1 196 . 7 1 1 A 36 36 THR HA H 36 4.680 4.707 -0.027 1
1 201 . 7 1 1 A 37 37 TYR H H 37 9.204 8.977 0.227 1
1 202 . 7 1 1 A 37 37 TYR HA H 37 4.368 6.070 -1.702 1
1 209 . 7 1 1 A 38 38 ALA H H 38 8.682 8.468 0.214 1
1 210 . 7 1 1 A 38 38 ALA HA H 38 4.600 4.458 0.142 1
1 214 . 7 1 1 A 39 39 ASN H H 39 8.654 8.580 0.074 1
1 215 . 7 1 1 A 39 39 ASN HA H 39 4.625 4.770 -0.145 1
1 218 . 7 1 1 A 40 40 GLU H H 40 8.314 8.986 -0.672 1
1 219 . 7 1 1 A 40 40 GLU HA H 40 4.334 4.353 -0.019 1
1 224 . 7 1 1 A 41 41 CYS H H 41 8.213 7.852 0.361 1
1 225 . 7 1 1 A 41 41 CYS HA H 41 3.783 4.706 -0.923 1
1 228 . 7 1 1 A 42 42 THR H H 42 8.282 7.908 0.374 1
1 229 . 7 1 1 A 42 42 THR HA H 42 4.314 4.268 0.046 1
1 233 . 7 1 1 A 43 43 LEU H H 43 7.235 8.332 -1.097 1
1 234 . 7 1 1 A 43 43 LEU HA H 43 3.364 3.718 -0.354 1
1 244 . 7 1 1 A 44 44 CYS H H 44 8.325 8.463 -0.138 1
1 245 . 7 1 1 A 44 44 CYS HA H 44 4.225 4.232 -0.007 1
1 248 . 7 1 1 A 45 45 MET H H 45 8.336 8.275 0.061 1
1 249 . 7 1 1 A 45 45 MET HA H 45 4.136 4.203 -0.067 1
1 254 . 7 1 1 A 46 46 LYS H H 46 7.558 7.639 -0.081 1
1 255 . 7 1 1 A 46 46 LYS HA H 46 4.152 3.986 0.166 1
1 260 . 7 1 1 A 47 47 ILE H H 47 8.145 8.857 -0.712 1
1 261 . 7 1 1 A 47 47 ILE HA H 47 3.697 4.112 -0.415 1
1 268 . 7 1 1 A 48 48 ARG H H 48 7.898 7.746 0.152 1
1 269 . 7 1 1 A 48 48 ARG HA H 48 3.978 4.116 -0.138 1
1 274 . 7 1 1 A 49 49 GLU H H 49 8.146 7.417 0.729 1
1 275 . 7 1 1 A 49 49 GLU HA H 49 4.144 4.501 -0.357 1
1 280 . 7 1 1 A 50 50 GLY H H 50 8.056 8.127 -0.071 1
1 281 . 7 1 1 A 50 50 GLY HA2 H 50 4.052 3.800 0.252 1
1 282 . 7 1 1 A 50 50 GLY HA3 H 50 4.052 3.815 0.237 1
1 283 . 7 1 1 A 51 51 GLY H H 51 7.863 8.540 -0.677 1
1 284 . 7 1 1 A 51 51 GLY HA2 H 51 3.816 3.996 -0.180 1
1 285 . 7 1 1 A 51 51 GLY HA3 H 51 3.816 4.117 -0.301 1
1 286 . 7 1 1 A 52 52 HIS H H 52 7.963 7.489 0.474 1
1 287 . 7 1 1 A 52 52 HIS HA H 52 4.736 5.261 -0.525 1
1 290 . 7 1 1 A 53 53 ASN H H 53 8.810 8.892 -0.082 1
1 291 . 7 1 1 A 53 53 ASN HA H 53 4.436 5.003 -0.567 1
1 296 . 7 1 1 A 54 54 ILE H H 54 6.778 7.871 -1.093 1
1 297 . 7 1 1 A 54 54 ILE HA H 54 3.786 4.106 -0.320 1
1 304 . 7 1 1 A 55 55 LYS H H 55 8.100 8.781 -0.681 1
1 305 . 7 1 1 A 55 55 LYS HA H 55 4.592 5.268 -0.676 1
1 310 . 7 1 1 A 56 56 ILE H H 56 8.898 8.110 0.788 1
1 311 . 7 1 1 A 56 56 ILE HA H 56 4.190 4.243 -0.053 1
1 316 . 7 1 1 A 57 57 ILE H H 57 8.835 8.929 -0.094 1
1 317 . 7 1 1 A 57 57 ILE HA H 57 4.005 4.066 -0.061 1
1 327 . 7 1 1 A 58 58 ARG H H 58 7.161 7.411 -0.250 1
1 328 . 7 1 1 A 58 58 ARG HA H 58 4.316 4.718 -0.402 1
1 333 . 7 1 1 A 59 59 ASN H H 59 8.669 8.718 -0.049 1
1 334 . 7 1 1 A 59 59 ASN HA H 59 4.804 4.552 0.252 1
1 339 . 7 1 1 A 60 60 GLY H H 60 7.870 7.508 0.362 1
1 340 . 7 1 1 A 60 60 GLY HA2 H 60 3.769 4.044 -0.275 1
1 341 . 7 1 1 A 60 60 GLY HA3 H 60 3.769 4.051 -0.282 1
1 1 . 8 1 1 A 2 2 GLN H H 2 7.383 8.410 -1.027 1
1 2 . 8 1 1 A 2 2 GLN HA H 2 4.528 4.471 0.057 1
1 5 . 8 1 1 A 3 3 PHE H H 3 8.341 7.752 0.589 1
1 6 . 8 1 1 A 3 3 PHE HA H 3 4.579 4.191 0.388 1
1 11 . 8 1 1 A 4 4 GLY H H 4 8.274 8.130 0.144 1
1 12 . 8 1 1 A 4 4 GLY HA2 H 4 3.782 3.746 0.036 1
1 13 . 8 1 1 A 4 4 GLY HA3 H 4 3.782 3.821 -0.039 1
1 14 . 8 1 1 A 5 5 LEU H H 5 7.937 8.464 -0.527 1
1 15 . 8 1 1 A 5 5 LEU HA H 5 4.123 5.114 -0.991 1
1 19 . 8 1 1 A 6 6 PHE H H 6 8.101 8.962 -0.861 1
1 20 . 8 1 1 A 6 6 PHE HA H 6 4.394 4.727 -0.333 1
1 25 . 8 1 1 A 7 7 SER H H 7 8.000 8.323 -0.323 1
1 26 . 8 1 1 A 7 7 SER HA H 7 4.224 4.776 -0.552 1
1 29 . 8 1 1 A 8 8 LYS H H 8 7.915 7.743 0.172 1
1 30 . 8 1 1 A 8 8 LYS HA H 8 4.200 4.583 -0.383 1
1 35 . 8 1 1 A 9 9 TYR H H 9 7.768 8.765 -0.997 1
1 36 . 8 1 1 A 9 9 TYR HA H 9 4.821 4.696 0.125 1
1 43 . 8 1 1 A 10 10 ARG H H 10 8.602 8.612 -0.010 1
1 44 . 8 1 1 A 10 10 ARG HA H 10 4.584 5.143 -0.559 1
1 52 . 8 1 1 A 11 11 THR H H 11 8.902 8.721 0.181 1
1 53 . 8 1 1 A 11 11 THR HA H 11 4.494 4.851 -0.357 1
1 58 . 8 1 1 A 12 12 PRO HA H 12 4.210 4.540 -0.330 1
1 61 . 8 1 1 A 13 13 ASN H H 13 8.202 8.458 -0.256 1
1 62 . 8 1 1 A 13 13 ASN HA H 13 4.858 5.205 -0.347 1
1 67 . 8 1 1 A 14 14 CYS H H 14 8.282 8.880 -0.598 1
1 68 . 8 1 1 A 14 14 CYS HA H 14 5.035 4.584 0.451 1
1 71 . 8 1 1 A 15 15 SER H H 15 8.318 8.254 0.064 1
1 72 . 8 1 1 A 15 15 SER HA H 15 4.066 4.734 -0.668 1
1 75 . 8 1 1 A 16 16 GLN H H 16 7.327 7.679 -0.352 1
1 76 . 8 1 1 A 16 16 GLN HA H 16 4.031 4.398 -0.367 1
1 83 . 8 1 1 A 17 17 TYR H H 17 7.125 7.461 -0.336 1
1 84 . 8 1 1 A 17 17 TYR HA H 17 4.771 5.163 -0.392 1
1 91 . 8 1 1 A 18 18 ARG H H 18 8.137 8.991 -0.854 1
1 92 . 8 1 1 A 18 18 ARG HA H 18 4.298 4.708 -0.410 1
1 99 . 8 1 1 A 19 19 LEU H H 19 8.000 8.789 -0.789 1
1 100 . 8 1 1 A 19 19 LEU HA H 19 4.628 4.483 0.145 1
1 110 . 8 1 1 A 20 20 PRO HA H 20 4.311 4.413 -0.102 1
1 117 . 8 1 1 A 21 21 GLY H H 21 7.610 8.005 -0.395 1
1 118 . 8 1 1 A 21 21 GLY HA2 H 21 3.903 3.926 -0.023 1
1 119 . 8 1 1 A 21 21 GLY HA3 H 21 3.903 3.934 -0.031 1
1 120 . 8 1 1 A 22 22 CYS H H 22 8.250 8.242 0.008 1
1 121 . 8 1 1 A 22 22 CYS HA H 22 5.245 4.971 0.274 1
1 124 . 8 1 1 A 23 23 PRO HA H 23 4.394 4.516 -0.122 1
1 131 . 8 1 1 A 24 24 ARG H H 24 8.583 8.377 0.206 1
1 132 . 8 1 1 A 24 24 ARG HA H 24 4.147 3.823 0.324 1
1 137 . 8 1 1 A 25 25 HIS H H 25 7.302 8.513 -1.211 1
1 138 . 8 1 1 A 25 25 HIS HA H 25 4.519 4.778 -0.259 1
1 142 . 8 1 1 A 26 26 PHE H H 26 8.873 7.330 1.543 1
1 143 . 8 1 1 A 26 26 PHE HA H 26 4.610 4.366 0.244 1
1 150 . 8 1 1 A 27 27 ASN H H 27 8.579 8.464 0.115 1
1 151 . 8 1 1 A 27 27 ASN HA H 27 4.741 5.624 -0.883 1
1 156 . 8 1 1 A 28 28 PRO HA H 28 4.453 4.299 0.154 1
1 163 . 8 1 1 A 29 29 VAL H H 29 8.082 7.903 0.179 1
1 164 . 8 1 1 A 29 29 VAL HA H 29 4.621 4.513 0.108 1
1 172 . 8 1 1 A 30 30 CYS H H 30 8.303 9.062 -0.759 1
1 173 . 8 1 1 A 30 30 CYS HA H 30 5.212 5.289 -0.077 1
1 176 . 8 1 1 A 31 31 GLY H H 31 9.261 9.010 0.251 1
1 177 . 8 1 1 A 31 31 GLY HA2 H 31 4.457 3.750 0.707 1
1 178 . 8 1 1 A 31 31 GLY HA3 H 31 4.457 4.206 0.251 1
1 179 . 8 1 1 A 32 32 SER H H 32 8.992 8.946 0.046 1
1 180 . 8 1 1 A 32 32 SER HA H 32 3.885 4.297 -0.412 1
1 183 . 8 1 1 A 33 33 ASP H H 33 8.252 7.938 0.314 1
1 184 . 8 1 1 A 33 33 ASP HA H 33 4.455 4.785 -0.330 1
1 187 . 8 1 1 A 34 34 MET H H 34 8.849 7.795 1.054 1
1 188 . 8 1 1 A 34 34 MET HA H 34 4.249 4.088 0.161 1
1 191 . 8 1 1 A 35 35 SER H H 35 7.388 7.351 0.037 1
1 192 . 8 1 1 A 35 35 SER HA H 35 4.568 4.871 -0.303 1
1 195 . 8 1 1 A 36 36 THR H H 36 8.453 8.102 0.351 1
1 196 . 8 1 1 A 36 36 THR HA H 36 4.680 5.104 -0.424 1
1 201 . 8 1 1 A 37 37 TYR H H 37 9.204 9.172 0.032 1
1 202 . 8 1 1 A 37 37 TYR HA H 37 4.368 5.649 -1.281 1
1 209 . 8 1 1 A 38 38 ALA H H 38 8.682 8.608 0.074 1
1 210 . 8 1 1 A 38 38 ALA HA H 38 4.600 4.942 -0.342 1
1 214 . 8 1 1 A 39 39 ASN H H 39 8.654 8.665 -0.011 1
1 215 . 8 1 1 A 39 39 ASN HA H 39 4.625 4.472 0.153 1
1 218 . 8 1 1 A 40 40 GLU H H 40 8.314 8.597 -0.283 1
1 219 . 8 1 1 A 40 40 GLU HA H 40 4.334 3.716 0.618 1
1 224 . 8 1 1 A 41 41 CYS H H 41 8.213 7.898 0.315 1
1 225 . 8 1 1 A 41 41 CYS HA H 41 3.783 4.609 -0.826 1
1 228 . 8 1 1 A 42 42 THR H H 42 8.282 7.693 0.589 1
1 229 . 8 1 1 A 42 42 THR HA H 42 4.314 4.307 0.007 1
1 233 . 8 1 1 A 43 43 LEU H H 43 7.235 8.240 -1.005 1
1 234 . 8 1 1 A 43 43 LEU HA H 43 3.364 3.711 -0.347 1
1 244 . 8 1 1 A 44 44 CYS H H 44 8.325 8.189 0.136 1
1 245 . 8 1 1 A 44 44 CYS HA H 44 4.225 4.124 0.101 1
1 248 . 8 1 1 A 45 45 MET H H 45 8.336 8.259 0.077 1
1 249 . 8 1 1 A 45 45 MET HA H 45 4.136 4.121 0.015 1
1 254 . 8 1 1 A 46 46 LYS H H 46 7.558 7.648 -0.090 1
1 255 . 8 1 1 A 46 46 LYS HA H 46 4.152 4.020 0.132 1
1 260 . 8 1 1 A 47 47 ILE H H 47 8.145 8.912 -0.767 1
1 261 . 8 1 1 A 47 47 ILE HA H 47 3.697 4.106 -0.409 1
1 268 . 8 1 1 A 48 48 ARG H H 48 7.898 7.777 0.121 1
1 269 . 8 1 1 A 48 48 ARG HA H 48 3.978 4.123 -0.145 1
1 274 . 8 1 1 A 49 49 GLU H H 49 8.146 7.427 0.719 1
1 275 . 8 1 1 A 49 49 GLU HA H 49 4.144 4.494 -0.350 1
1 280 . 8 1 1 A 50 50 GLY H H 50 8.056 8.314 -0.258 1
1 281 . 8 1 1 A 50 50 GLY HA2 H 50 4.052 3.793 0.259 1
1 282 . 8 1 1 A 50 50 GLY HA3 H 50 4.052 3.804 0.248 1
1 283 . 8 1 1 A 51 51 GLY H H 51 7.863 8.439 -0.576 1
1 284 . 8 1 1 A 51 51 GLY HA2 H 51 3.816 4.028 -0.212 1
1 285 . 8 1 1 A 51 51 GLY HA3 H 51 3.816 4.138 -0.322 1
1 286 . 8 1 1 A 52 52 HIS H H 52 7.963 7.421 0.542 1
1 287 . 8 1 1 A 52 52 HIS HA H 52 4.736 5.254 -0.518 1
1 290 . 8 1 1 A 53 53 ASN H H 53 8.810 8.684 0.126 1
1 291 . 8 1 1 A 53 53 ASN HA H 53 4.436 4.733 -0.297 1
1 296 . 8 1 1 A 54 54 ILE H H 54 6.778 7.877 -1.099 1
1 297 . 8 1 1 A 54 54 ILE HA H 54 3.786 4.023 -0.237 1
1 304 . 8 1 1 A 55 55 LYS H H 55 8.100 8.848 -0.748 1
1 305 . 8 1 1 A 55 55 LYS HA H 55 4.592 4.693 -0.101 1
1 310 . 8 1 1 A 56 56 ILE H H 56 8.898 8.573 0.325 1
1 311 . 8 1 1 A 56 56 ILE HA H 56 4.190 4.544 -0.354 1
1 316 . 8 1 1 A 57 57 ILE H H 57 8.835 8.713 0.122 1
1 317 . 8 1 1 A 57 57 ILE HA H 57 4.005 3.899 0.106 1
1 327 . 8 1 1 A 58 58 ARG H H 58 7.161 7.680 -0.519 1
1 328 . 8 1 1 A 58 58 ARG HA H 58 4.316 4.599 -0.283 1
1 333 . 8 1 1 A 59 59 ASN H H 59 8.669 8.676 -0.007 1
1 334 . 8 1 1 A 59 59 ASN HA H 59 4.804 4.668 0.136 1
1 339 . 8 1 1 A 60 60 GLY H H 60 7.870 7.630 0.240 1
1 340 . 8 1 1 A 60 60 GLY HA2 H 60 3.769 4.072 -0.303 1
1 341 . 8 1 1 A 60 60 GLY HA3 H 60 3.769 4.077 -0.308 1
1 1 . 9 1 1 A 2 2 GLN H H 2 7.383 9.108 -1.725 1
1 2 . 9 1 1 A 2 2 GLN HA H 2 4.528 3.744 0.784 1
1 5 . 9 1 1 A 3 3 PHE H H 3 8.341 8.076 0.265 1
1 6 . 9 1 1 A 3 3 PHE HA H 3 4.579 4.275 0.304 1
1 11 . 9 1 1 A 4 4 GLY H H 4 8.274 8.588 -0.314 1
1 12 . 9 1 1 A 4 4 GLY HA2 H 4 3.782 3.649 0.133 1
1 13 . 9 1 1 A 4 4 GLY HA3 H 4 3.782 3.679 0.103 1
1 14 . 9 1 1 A 5 5 LEU H H 5 7.937 7.712 0.225 1
1 15 . 9 1 1 A 5 5 LEU HA H 5 4.123 4.344 -0.221 1
1 19 . 9 1 1 A 6 6 PHE H H 6 8.101 8.445 -0.344 1
1 20 . 9 1 1 A 6 6 PHE HA H 6 4.394 4.603 -0.209 1
1 25 . 9 1 1 A 7 7 SER H H 7 8.000 7.911 0.089 1
1 26 . 9 1 1 A 7 7 SER HA H 7 4.224 4.617 -0.393 1
1 29 . 9 1 1 A 8 8 LYS H H 8 7.915 8.330 -0.415 1
1 30 . 9 1 1 A 8 8 LYS HA H 8 4.200 4.270 -0.070 1
1 35 . 9 1 1 A 9 9 TYR H H 9 7.768 8.636 -0.868 1
1 36 . 9 1 1 A 9 9 TYR HA H 9 4.821 4.453 0.368 1
1 43 . 9 1 1 A 10 10 ARG H H 10 8.602 8.464 0.138 1
1 44 . 9 1 1 A 10 10 ARG HA H 10 4.584 5.208 -0.624 1
1 52 . 9 1 1 A 11 11 THR H H 11 8.902 9.332 -0.430 1
1 53 . 9 1 1 A 11 11 THR HA H 11 4.494 4.942 -0.448 1
1 58 . 9 1 1 A 12 12 PRO HA H 12 4.210 4.870 -0.660 1
1 61 . 9 1 1 A 13 13 ASN H H 13 8.202 8.590 -0.388 1
1 62 . 9 1 1 A 13 13 ASN HA H 13 4.858 4.531 0.327 1
1 67 . 9 1 1 A 14 14 CYS H H 14 8.282 8.598 -0.316 1
1 68 . 9 1 1 A 14 14 CYS HA H 14 5.035 3.274 1.761 1
1 71 . 9 1 1 A 15 15 SER H H 15 8.318 8.073 0.245 1
1 72 . 9 1 1 A 15 15 SER HA H 15 4.066 4.348 -0.282 1
1 75 . 9 1 1 A 16 16 GLN H H 16 7.327 8.462 -1.135 1
1 76 . 9 1 1 A 16 16 GLN HA H 16 4.031 4.634 -0.603 1
1 83 . 9 1 1 A 17 17 TYR H H 17 7.125 7.934 -0.809 1
1 84 . 9 1 1 A 17 17 TYR HA H 17 4.771 5.002 -0.231 1
1 91 . 9 1 1 A 18 18 ARG H H 18 8.137 8.868 -0.731 1
1 92 . 9 1 1 A 18 18 ARG HA H 18 4.298 4.485 -0.187 1
1 99 . 9 1 1 A 19 19 LEU H H 19 8.000 7.556 0.444 1
1 100 . 9 1 1 A 19 19 LEU HA H 19 4.628 4.717 -0.089 1
1 110 . 9 1 1 A 20 20 PRO HA H 20 4.311 4.476 -0.165 1
1 117 . 9 1 1 A 21 21 GLY H H 21 7.610 7.618 -0.008 1
1 118 . 9 1 1 A 21 21 GLY HA2 H 21 3.903 4.047 -0.144 1
1 119 . 9 1 1 A 21 21 GLY HA3 H 21 3.903 4.057 -0.154 1
1 120 . 9 1 1 A 22 22 CYS H H 22 8.250 8.312 -0.062 1
1 121 . 9 1 1 A 22 22 CYS HA H 22 5.245 5.027 0.218 1
1 124 . 9 1 1 A 23 23 PRO HA H 23 4.394 4.411 -0.017 1
1 131 . 9 1 1 A 24 24 ARG H H 24 8.583 8.677 -0.094 1
1 132 . 9 1 1 A 24 24 ARG HA H 24 4.147 3.867 0.280 1
1 137 . 9 1 1 A 25 25 HIS H H 25 7.302 7.392 -0.090 1
1 138 . 9 1 1 A 25 25 HIS HA H 25 4.519 4.376 0.143 1
1 142 . 9 1 1 A 26 26 PHE H H 26 8.873 8.144 0.729 1
1 143 . 9 1 1 A 26 26 PHE HA H 26 4.610 5.247 -0.637 1
1 150 . 9 1 1 A 27 27 ASN H H 27 8.579 8.826 -0.247 1
1 151 . 9 1 1 A 27 27 ASN HA H 27 4.741 5.522 -0.781 1
1 156 . 9 1 1 A 28 28 PRO HA H 28 4.453 4.330 0.123 1
1 163 . 9 1 1 A 29 29 VAL H H 29 8.082 7.819 0.263 1
1 164 . 9 1 1 A 29 29 VAL HA H 29 4.621 4.540 0.081 1
1 172 . 9 1 1 A 30 30 CYS H H 30 8.303 8.951 -0.648 1
1 173 . 9 1 1 A 30 30 CYS HA H 30 5.212 5.327 -0.115 1
1 176 . 9 1 1 A 31 31 GLY H H 31 9.261 8.559 0.702 1
1 177 . 9 1 1 A 31 31 GLY HA2 H 31 4.457 3.691 0.766 1
1 178 . 9 1 1 A 31 31 GLY HA3 H 31 4.457 4.029 0.428 1
1 179 . 9 1 1 A 32 32 SER H H 32 8.992 9.011 -0.019 1
1 180 . 9 1 1 A 32 32 SER HA H 32 3.885 4.420 -0.535 1
1 183 . 9 1 1 A 33 33 ASP H H 33 8.252 7.920 0.332 1
1 184 . 9 1 1 A 33 33 ASP HA H 33 4.455 4.822 -0.367 1
1 187 . 9 1 1 A 34 34 MET H H 34 8.849 7.768 1.081 1
1 188 . 9 1 1 A 34 34 MET HA H 34 4.249 4.034 0.215 1
1 191 . 9 1 1 A 35 35 SER H H 35 7.388 7.527 -0.139 1
1 192 . 9 1 1 A 35 35 SER HA H 35 4.568 4.744 -0.176 1
1 195 . 9 1 1 A 36 36 THR H H 36 8.453 8.634 -0.181 1
1 196 . 9 1 1 A 36 36 THR HA H 36 4.680 4.301 0.379 1
1 201 . 9 1 1 A 37 37 TYR H H 37 9.204 8.818 0.386 1
1 202 . 9 1 1 A 37 37 TYR HA H 37 4.368 5.461 -1.093 1
1 209 . 9 1 1 A 38 38 ALA H H 38 8.682 8.565 0.117 1
1 210 . 9 1 1 A 38 38 ALA HA H 38 4.600 4.525 0.075 1
1 214 . 9 1 1 A 39 39 ASN H H 39 8.654 8.813 -0.159 1
1 215 . 9 1 1 A 39 39 ASN HA H 39 4.625 4.914 -0.289 1
1 218 . 9 1 1 A 40 40 GLU H H 40 8.314 8.830 -0.516 1
1 219 . 9 1 1 A 40 40 GLU HA H 40 4.334 4.150 0.184 1
1 224 . 9 1 1 A 41 41 CYS H H 41 8.213 7.880 0.333 1
1 225 . 9 1 1 A 41 41 CYS HA H 41 3.783 4.583 -0.800 1
1 228 . 9 1 1 A 42 42 THR H H 42 8.282 7.710 0.572 1
1 229 . 9 1 1 A 42 42 THR HA H 42 4.314 4.267 0.047 1
1 233 . 9 1 1 A 43 43 LEU H H 43 7.235 8.333 -1.098 1
1 234 . 9 1 1 A 43 43 LEU HA H 43 3.364 3.734 -0.370 1
1 244 . 9 1 1 A 44 44 CYS H H 44 8.325 8.302 0.023 1
1 245 . 9 1 1 A 44 44 CYS HA H 44 4.225 4.084 0.141 1
1 248 . 9 1 1 A 45 45 MET H H 45 8.336 8.212 0.124 1
1 249 . 9 1 1 A 45 45 MET HA H 45 4.136 4.173 -0.037 1
1 254 . 9 1 1 A 46 46 LYS H H 46 7.558 7.633 -0.075 1
1 255 . 9 1 1 A 46 46 LYS HA H 46 4.152 3.983 0.169 1
1 260 . 9 1 1 A 47 47 ILE H H 47 8.145 8.830 -0.685 1
1 261 . 9 1 1 A 47 47 ILE HA H 47 3.697 4.054 -0.357 1
1 268 . 9 1 1 A 48 48 ARG H H 48 7.898 7.744 0.154 1
1 269 . 9 1 1 A 48 48 ARG HA H 48 3.978 4.063 -0.085 1
1 274 . 9 1 1 A 49 49 GLU H H 49 8.146 7.410 0.736 1
1 275 . 9 1 1 A 49 49 GLU HA H 49 4.144 4.487 -0.343 1
1 280 . 9 1 1 A 50 50 GLY H H 50 8.056 8.298 -0.242 1
1 281 . 9 1 1 A 50 50 GLY HA2 H 50 4.052 3.757 0.295 1
1 282 . 9 1 1 A 50 50 GLY HA3 H 50 4.052 3.768 0.284 1
1 283 . 9 1 1 A 51 51 GLY H H 51 7.863 8.332 -0.469 1
1 284 . 9 1 1 A 51 51 GLY HA2 H 51 3.816 4.009 -0.193 1
1 285 . 9 1 1 A 51 51 GLY HA3 H 51 3.816 4.112 -0.296 1
1 286 . 9 1 1 A 52 52 HIS H H 52 7.963 7.465 0.498 1
1 287 . 9 1 1 A 52 52 HIS HA H 52 4.736 5.211 -0.475 1
1 290 . 9 1 1 A 53 53 ASN H H 53 8.810 8.866 -0.056 1
1 291 . 9 1 1 A 53 53 ASN HA H 53 4.436 5.036 -0.600 1
1 296 . 9 1 1 A 54 54 ILE H H 54 6.778 7.811 -1.033 1
1 297 . 9 1 1 A 54 54 ILE HA H 54 3.786 3.971 -0.185 1
1 304 . 9 1 1 A 55 55 LYS H H 55 8.100 8.839 -0.739 1
1 305 . 9 1 1 A 55 55 LYS HA H 55 4.592 4.766 -0.174 1
1 310 . 9 1 1 A 56 56 ILE H H 56 8.898 8.475 0.423 1
1 311 . 9 1 1 A 56 56 ILE HA H 56 4.190 4.636 -0.446 1
1 316 . 9 1 1 A 57 57 ILE H H 57 8.835 9.201 -0.366 1
1 317 . 9 1 1 A 57 57 ILE HA H 57 4.005 4.225 -0.220 1
1 327 . 9 1 1 A 58 58 ARG H H 58 7.161 7.706 -0.545 1
1 328 . 9 1 1 A 58 58 ARG HA H 58 4.316 4.806 -0.490 1
1 333 . 9 1 1 A 59 59 ASN H H 59 8.669 8.741 -0.072 1
1 334 . 9 1 1 A 59 59 ASN HA H 59 4.804 4.811 -0.007 1
1 339 . 9 1 1 A 60 60 GLY H H 60 7.870 7.443 0.427 1
1 340 . 9 1 1 A 60 60 GLY HA2 H 60 3.769 4.072 -0.303 1
1 341 . 9 1 1 A 60 60 GLY HA3 H 60 3.769 4.075 -0.306 1
1 1 . 10 1 1 A 2 2 GLN H H 2 7.383 8.498 -1.115 1
1 2 . 10 1 1 A 2 2 GLN HA H 2 4.528 4.591 -0.063 1
1 5 . 10 1 1 A 3 3 PHE H H 3 8.341 8.676 -0.335 1
1 6 . 10 1 1 A 3 3 PHE HA H 3 4.579 4.300 0.279 1
1 11 . 10 1 1 A 4 4 GLY H H 4 8.274 7.726 0.548 1
1 12 . 10 1 1 A 4 4 GLY HA2 H 4 3.782 3.600 0.182 1
1 13 . 10 1 1 A 4 4 GLY HA3 H 4 3.782 3.670 0.112 1
1 14 . 10 1 1 A 5 5 LEU H H 5 7.937 7.603 0.334 1
1 15 . 10 1 1 A 5 5 LEU HA H 5 4.123 4.648 -0.525 1
1 19 . 10 1 1 A 6 6 PHE H H 6 8.101 8.885 -0.784 1
1 20 . 10 1 1 A 6 6 PHE HA H 6 4.394 5.034 -0.640 1
1 25 . 10 1 1 A 7 7 SER H H 7 8.000 9.094 -1.094 1
1 26 . 10 1 1 A 7 7 SER HA H 7 4.224 4.150 0.074 1
1 29 . 10 1 1 A 8 8 LYS H H 8 7.915 7.700 0.215 1
1 30 . 10 1 1 A 8 8 LYS HA H 8 4.200 4.982 -0.782 1
1 35 . 10 1 1 A 9 9 TYR H H 9 7.768 8.907 -1.139 1
1 36 . 10 1 1 A 9 9 TYR HA H 9 4.821 4.680 0.141 1
1 43 . 10 1 1 A 10 10 ARG H H 10 8.602 8.107 0.495 1
1 44 . 10 1 1 A 10 10 ARG HA H 10 4.584 4.532 0.052 1
1 52 . 10 1 1 A 11 11 THR H H 11 8.902 8.964 -0.062 1
1 53 . 10 1 1 A 11 11 THR HA H 11 4.494 4.925 -0.431 1
1 58 . 10 1 1 A 12 12 PRO HA H 12 4.210 4.470 -0.260 1
1 61 . 10 1 1 A 13 13 ASN H H 13 8.202 8.739 -0.537 1
1 62 . 10 1 1 A 13 13 ASN HA H 13 4.858 4.730 0.128 1
1 67 . 10 1 1 A 14 14 CYS H H 14 8.282 7.796 0.486 1
1 68 . 10 1 1 A 14 14 CYS HA H 14 5.035 4.351 0.684 1
1 71 . 10 1 1 A 15 15 SER H H 15 8.318 8.100 0.218 1
1 72 . 10 1 1 A 15 15 SER HA H 15 4.066 4.286 -0.220 1
1 75 . 10 1 1 A 16 16 GLN H H 16 7.327 7.815 -0.488 1
1 76 . 10 1 1 A 16 16 GLN HA H 16 4.031 4.435 -0.404 1
1 83 . 10 1 1 A 17 17 TYR H H 17 7.125 8.690 -1.565 1
1 84 . 10 1 1 A 17 17 TYR HA H 17 4.771 5.014 -0.243 1
1 91 . 10 1 1 A 18 18 ARG H H 18 8.137 8.998 -0.861 1
1 92 . 10 1 1 A 18 18 ARG HA H 18 4.298 4.732 -0.434 1
1 99 . 10 1 1 A 19 19 LEU H H 19 8.000 8.988 -0.988 1
1 100 . 10 1 1 A 19 19 LEU HA H 19 4.628 4.719 -0.091 1
1 110 . 10 1 1 A 20 20 PRO HA H 20 4.311 4.613 -0.302 1
1 117 . 10 1 1 A 21 21 GLY H H 21 7.610 7.699 -0.089 1
1 118 . 10 1 1 A 21 21 GLY HA2 H 21 3.903 4.134 -0.231 1
1 119 . 10 1 1 A 21 21 GLY HA3 H 21 3.903 4.136 -0.233 1
1 120 . 10 1 1 A 22 22 CYS H H 22 8.250 8.500 -0.250 1
1 121 . 10 1 1 A 22 22 CYS HA H 22 5.245 4.926 0.319 1
1 124 . 10 1 1 A 23 23 PRO HA H 23 4.394 4.589 -0.195 1
1 131 . 10 1 1 A 24 24 ARG H H 24 8.583 9.101 -0.518 1
1 132 . 10 1 1 A 24 24 ARG HA H 24 4.147 4.182 -0.035 1
1 137 . 10 1 1 A 25 25 HIS H H 25 7.302 7.724 -0.422 1
1 138 . 10 1 1 A 25 25 HIS HA H 25 4.519 4.881 -0.362 1
1 142 . 10 1 1 A 26 26 PHE H H 26 8.873 7.924 0.949 1
1 143 . 10 1 1 A 26 26 PHE HA H 26 4.610 4.880 -0.270 1
1 150 . 10 1 1 A 27 27 ASN H H 27 8.579 7.813 0.766 1
1 151 . 10 1 1 A 27 27 ASN HA H 27 4.741 4.606 0.135 1
1 156 . 10 1 1 A 28 28 PRO HA H 28 4.453 4.424 0.029 1
1 163 . 10 1 1 A 29 29 VAL H H 29 8.082 7.753 0.329 1
1 164 . 10 1 1 A 29 29 VAL HA H 29 4.621 4.532 0.089 1
1 172 . 10 1 1 A 30 30 CYS H H 30 8.303 8.990 -0.687 1
1 173 . 10 1 1 A 30 30 CYS HA H 30 5.212 5.293 -0.081 1
1 176 . 10 1 1 A 31 31 GLY H H 31 9.261 8.518 0.743 1
1 177 . 10 1 1 A 31 31 GLY HA2 H 31 4.457 3.597 0.860 1
1 178 . 10 1 1 A 31 31 GLY HA3 H 31 4.457 3.926 0.531 1
1 179 . 10 1 1 A 32 32 SER H H 32 8.992 8.926 0.066 1
1 180 . 10 1 1 A 32 32 SER HA H 32 3.885 4.439 -0.554 1
1 183 . 10 1 1 A 33 33 ASP H H 33 8.252 7.970 0.282 1
1 184 . 10 1 1 A 33 33 ASP HA H 33 4.455 4.513 -0.058 1
1 187 . 10 1 1 A 34 34 MET H H 34 8.849 8.065 0.784 1
1 188 . 10 1 1 A 34 34 MET HA H 34 4.249 4.035 0.214 1
1 191 . 10 1 1 A 35 35 SER H H 35 7.388 7.654 -0.266 1
1 192 . 10 1 1 A 35 35 SER HA H 35 4.568 4.733 -0.165 1
1 195 . 10 1 1 A 36 36 THR H H 36 8.453 8.244 0.209 1
1 196 . 10 1 1 A 36 36 THR HA H 36 4.680 5.018 -0.338 1
1 201 . 10 1 1 A 37 37 TYR H H 37 9.204 9.236 -0.032 1
1 202 . 10 1 1 A 37 37 TYR HA H 37 4.368 5.420 -1.052 1
1 209 . 10 1 1 A 38 38 ALA H H 38 8.682 8.421 0.261 1
1 210 . 10 1 1 A 38 38 ALA HA H 38 4.600 4.460 0.140 1
1 214 . 10 1 1 A 39 39 ASN H H 39 8.654 8.797 -0.143 1
1 215 . 10 1 1 A 39 39 ASN HA H 39 4.625 4.722 -0.097 1
1 218 . 10 1 1 A 40 40 GLU H H 40 8.314 8.792 -0.478 1
1 219 . 10 1 1 A 40 40 GLU HA H 40 4.334 4.270 0.064 1
1 224 . 10 1 1 A 41 41 CYS H H 41 8.213 7.783 0.430 1
1 225 . 10 1 1 A 41 41 CYS HA H 41 3.783 4.740 -0.957 1
1 228 . 10 1 1 A 42 42 THR H H 42 8.282 7.601 0.681 1
1 229 . 10 1 1 A 42 42 THR HA H 42 4.314 4.377 -0.063 1
1 233 . 10 1 1 A 43 43 LEU H H 43 7.235 8.221 -0.986 1
1 234 . 10 1 1 A 43 43 LEU HA H 43 3.364 3.712 -0.348 1
1 244 . 10 1 1 A 44 44 CYS H H 44 8.325 8.371 -0.046 1
1 245 . 10 1 1 A 44 44 CYS HA H 44 4.225 4.288 -0.063 1
1 248 . 10 1 1 A 45 45 MET H H 45 8.336 8.193 0.143 1
1 249 . 10 1 1 A 45 45 MET HA H 45 4.136 4.198 -0.062 1
1 254 . 10 1 1 A 46 46 LYS H H 46 7.558 7.618 -0.060 1
1 255 . 10 1 1 A 46 46 LYS HA H 46 4.152 4.039 0.113 1
1 260 . 10 1 1 A 47 47 ILE H H 47 8.145 8.934 -0.789 1
1 261 . 10 1 1 A 47 47 ILE HA H 47 3.697 4.019 -0.322 1
1 268 . 10 1 1 A 48 48 ARG H H 48 7.898 7.294 0.604 1
1 269 . 10 1 1 A 48 48 ARG HA H 48 3.978 4.058 -0.080 1
1 274 . 10 1 1 A 49 49 GLU H H 49 8.146 7.556 0.590 1
1 275 . 10 1 1 A 49 49 GLU HA H 49 4.144 4.495 -0.351 1
1 280 . 10 1 1 A 50 50 GLY H H 50 8.056 8.216 -0.160 1
1 281 . 10 1 1 A 50 50 GLY HA2 H 50 4.052 3.820 0.232 1
1 282 . 10 1 1 A 50 50 GLY HA3 H 50 4.052 3.822 0.230 1
1 283 . 10 1 1 A 51 51 GLY H H 51 7.863 8.395 -0.532 1
1 284 . 10 1 1 A 51 51 GLY HA2 H 51 3.816 4.147 -0.331 1
1 285 . 10 1 1 A 51 51 GLY HA3 H 51 3.816 4.169 -0.353 1
1 286 . 10 1 1 A 52 52 HIS H H 52 7.963 7.267 0.696 1
1 287 . 10 1 1 A 52 52 HIS HA H 52 4.736 4.768 -0.032 1
1 290 . 10 1 1 A 53 53 ASN H H 53 8.810 8.351 0.459 1
1 291 . 10 1 1 A 53 53 ASN HA H 53 4.436 4.637 -0.201 1
1 296 . 10 1 1 A 54 54 ILE H H 54 6.778 8.040 -1.262 1
1 297 . 10 1 1 A 54 54 ILE HA H 54 3.786 4.063 -0.277 1
1 304 . 10 1 1 A 55 55 LYS H H 55 8.100 8.982 -0.882 1
1 305 . 10 1 1 A 55 55 LYS HA H 55 4.592 5.001 -0.409 1
1 310 . 10 1 1 A 56 56 ILE H H 56 8.898 8.577 0.321 1
1 311 . 10 1 1 A 56 56 ILE HA H 56 4.190 4.698 -0.508 1
1 316 . 10 1 1 A 57 57 ILE H H 57 8.835 8.977 -0.142 1
1 317 . 10 1 1 A 57 57 ILE HA H 57 4.005 3.992 0.013 1
1 327 . 10 1 1 A 58 58 ARG H H 58 7.161 7.690 -0.529 1
1 328 . 10 1 1 A 58 58 ARG HA H 58 4.316 4.676 -0.360 1
1 333 . 10 1 1 A 59 59 ASN H H 59 8.669 8.766 -0.097 1
1 334 . 10 1 1 A 59 59 ASN HA H 59 4.804 5.065 -0.261 1
1 339 . 10 1 1 A 60 60 GLY H H 60 7.870 8.231 -0.361 1
1 340 . 10 1 1 A 60 60 GLY HA2 H 60 3.769 3.991 -0.222 1
1 341 . 10 1 1 A 60 60 GLY HA3 H 60 3.769 4.002 -0.233 1
1 1 . 11 1 1 A 2 2 GLN H H 2 7.383 8.538 -1.155 1
1 2 . 11 1 1 A 2 2 GLN HA H 2 4.528 5.161 -0.633 1
1 5 . 11 1 1 A 3 3 PHE H H 3 8.341 9.181 -0.840 1
1 6 . 11 1 1 A 3 3 PHE HA H 3 4.579 4.849 -0.270 1
1 11 . 11 1 1 A 4 4 GLY H H 4 8.274 8.748 -0.474 1
1 12 . 11 1 1 A 4 4 GLY HA2 H 4 3.782 4.027 -0.245 1
1 13 . 11 1 1 A 4 4 GLY HA3 H 4 3.782 4.123 -0.341 1
1 14 . 11 1 1 A 5 5 LEU H H 5 7.937 8.001 -0.064 1
1 15 . 11 1 1 A 5 5 LEU HA H 5 4.123 4.200 -0.077 1
1 19 . 11 1 1 A 6 6 PHE H H 6 8.101 8.000 0.101 1
1 20 . 11 1 1 A 6 6 PHE HA H 6 4.394 5.077 -0.683 1
1 25 . 11 1 1 A 7 7 SER H H 7 8.000 8.751 -0.751 1
1 26 . 11 1 1 A 7 7 SER HA H 7 4.224 4.643 -0.419 1
1 29 . 11 1 1 A 8 8 LYS H H 8 7.915 8.072 -0.157 1
1 30 . 11 1 1 A 8 8 LYS HA H 8 4.200 5.084 -0.884 1
1 35 . 11 1 1 A 9 9 TYR H H 9 7.768 8.980 -1.212 1
1 36 . 11 1 1 A 9 9 TYR HA H 9 4.821 5.005 -0.184 1
1 43 . 11 1 1 A 10 10 ARG H H 10 8.602 8.194 0.408 1
1 44 . 11 1 1 A 10 10 ARG HA H 10 4.584 4.707 -0.123 1
1 52 . 11 1 1 A 11 11 THR H H 11 8.902 8.544 0.358 1
1 53 . 11 1 1 A 11 11 THR HA H 11 4.494 4.733 -0.239 1
1 58 . 11 1 1 A 12 12 PRO HA H 12 4.210 4.660 -0.450 1
1 61 . 11 1 1 A 13 13 ASN H H 13 8.202 8.629 -0.427 1
1 62 . 11 1 1 A 13 13 ASN HA H 13 4.858 4.947 -0.089 1
1 67 . 11 1 1 A 14 14 CYS H H 14 8.282 9.091 -0.809 1
1 68 . 11 1 1 A 14 14 CYS HA H 14 5.035 4.525 0.510 1
1 71 . 11 1 1 A 15 15 SER H H 15 8.318 7.936 0.382 1
1 72 . 11 1 1 A 15 15 SER HA H 15 4.066 4.467 -0.401 1
1 75 . 11 1 1 A 16 16 GLN H H 16 7.327 8.067 -0.740 1
1 76 . 11 1 1 A 16 16 GLN HA H 16 4.031 4.231 -0.200 1
1 83 . 11 1 1 A 17 17 TYR H H 17 7.125 7.616 -0.491 1
1 84 . 11 1 1 A 17 17 TYR HA H 17 4.771 5.137 -0.366 1
1 91 . 11 1 1 A 18 18 ARG H H 18 8.137 8.923 -0.786 1
1 92 . 11 1 1 A 18 18 ARG HA H 18 4.298 4.446 -0.148 1
1 99 . 11 1 1 A 19 19 LEU H H 19 8.000 7.518 0.482 1
1 100 . 11 1 1 A 19 19 LEU HA H 19 4.628 4.466 0.162 1
1 110 . 11 1 1 A 20 20 PRO HA H 20 4.311 4.483 -0.172 1
1 117 . 11 1 1 A 21 21 GLY H H 21 7.610 7.983 -0.373 1
1 118 . 11 1 1 A 21 21 GLY HA2 H 21 3.903 3.975 -0.072 1
1 119 . 11 1 1 A 21 21 GLY HA3 H 21 3.903 3.988 -0.085 1
1 120 . 11 1 1 A 22 22 CYS H H 22 8.250 8.691 -0.441 1
1 121 . 11 1 1 A 22 22 CYS HA H 22 5.245 5.222 0.023 1
1 124 . 11 1 1 A 23 23 PRO HA H 23 4.394 4.728 -0.334 1
1 131 . 11 1 1 A 24 24 ARG H H 24 8.583 8.902 -0.319 1
1 132 . 11 1 1 A 24 24 ARG HA H 24 4.147 4.166 -0.019 1
1 137 . 11 1 1 A 25 25 HIS H H 25 7.302 8.656 -1.354 1
1 138 . 11 1 1 A 25 25 HIS HA H 25 4.519 5.183 -0.664 1
1 142 . 11 1 1 A 26 26 PHE H H 26 8.873 8.418 0.455 1
1 143 . 11 1 1 A 26 26 PHE HA H 26 4.610 5.339 -0.729 1
1 150 . 11 1 1 A 27 27 ASN H H 27 8.579 8.848 -0.269 1
1 151 . 11 1 1 A 27 27 ASN HA H 27 4.741 5.350 -0.609 1
1 156 . 11 1 1 A 28 28 PRO HA H 28 4.453 4.443 0.010 1
1 163 . 11 1 1 A 29 29 VAL H H 29 8.082 7.802 0.280 1
1 164 . 11 1 1 A 29 29 VAL HA H 29 4.621 4.568 0.053 1
1 172 . 11 1 1 A 30 30 CYS H H 30 8.303 9.012 -0.709 1
1 173 . 11 1 1 A 30 30 CYS HA H 30 5.212 5.189 0.023 1
1 176 . 11 1 1 A 31 31 GLY H H 31 9.261 8.536 0.725 1
1 177 . 11 1 1 A 31 31 GLY HA2 H 31 4.457 3.720 0.737 1
1 178 . 11 1 1 A 31 31 GLY HA3 H 31 4.457 4.106 0.351 1
1 179 . 11 1 1 A 32 32 SER H H 32 8.992 8.641 0.351 1
1 180 . 11 1 1 A 32 32 SER HA H 32 3.885 4.252 -0.367 1
1 183 . 11 1 1 A 33 33 ASP H H 33 8.252 7.913 0.339 1
1 184 . 11 1 1 A 33 33 ASP HA H 33 4.455 4.726 -0.271 1
1 187 . 11 1 1 A 34 34 MET H H 34 8.849 8.018 0.831 1
1 188 . 11 1 1 A 34 34 MET HA H 34 4.249 4.104 0.145 1
1 191 . 11 1 1 A 35 35 SER H H 35 7.388 7.515 -0.127 1
1 192 . 11 1 1 A 35 35 SER HA H 35 4.568 4.781 -0.213 1
1 195 . 11 1 1 A 36 36 THR H H 36 8.453 8.601 -0.148 1
1 196 . 11 1 1 A 36 36 THR HA H 36 4.680 4.508 0.172 1
1 201 . 11 1 1 A 37 37 TYR H H 37 9.204 9.192 0.012 1
1 202 . 11 1 1 A 37 37 TYR HA H 37 4.368 5.340 -0.972 1
1 209 . 11 1 1 A 38 38 ALA H H 38 8.682 8.435 0.247 1
1 210 . 11 1 1 A 38 38 ALA HA H 38 4.600 4.492 0.108 1
1 214 . 11 1 1 A 39 39 ASN H H 39 8.654 8.859 -0.205 1
1 215 . 11 1 1 A 39 39 ASN HA H 39 4.625 3.530 1.095 1
1 218 . 11 1 1 A 40 40 GLU H H 40 8.314 8.587 -0.273 1
1 219 . 11 1 1 A 40 40 GLU HA H 40 4.334 3.972 0.362 1
1 224 . 11 1 1 A 41 41 CYS H H 41 8.213 7.781 0.432 1
1 225 . 11 1 1 A 41 41 CYS HA H 41 3.783 4.523 -0.740 1
1 228 . 11 1 1 A 42 42 THR H H 42 8.282 7.719 0.563 1
1 229 . 11 1 1 A 42 42 THR HA H 42 4.314 4.112 0.202 1
1 233 . 11 1 1 A 43 43 LEU H H 43 7.235 8.042 -0.807 1
1 234 . 11 1 1 A 43 43 LEU HA H 43 3.364 3.660 -0.296 1
1 244 . 11 1 1 A 44 44 CYS H H 44 8.325 8.234 0.091 1
1 245 . 11 1 1 A 44 44 CYS HA H 44 4.225 4.075 0.150 1
1 248 . 11 1 1 A 45 45 MET H H 45 8.336 8.225 0.111 1
1 249 . 11 1 1 A 45 45 MET HA H 45 4.136 4.157 -0.021 1
1 254 . 11 1 1 A 46 46 LYS H H 46 7.558 7.559 -0.001 1
1 255 . 11 1 1 A 46 46 LYS HA H 46 4.152 3.982 0.170 1
1 260 . 11 1 1 A 47 47 ILE H H 47 8.145 8.716 -0.571 1
1 261 . 11 1 1 A 47 47 ILE HA H 47 3.697 4.047 -0.350 1
1 268 . 11 1 1 A 48 48 ARG H H 48 7.898 7.765 0.133 1
1 269 . 11 1 1 A 48 48 ARG HA H 48 3.978 4.100 -0.122 1
1 274 . 11 1 1 A 49 49 GLU H H 49 8.146 7.407 0.739 1
1 275 . 11 1 1 A 49 49 GLU HA H 49 4.144 4.483 -0.339 1
1 280 . 11 1 1 A 50 50 GLY H H 50 8.056 8.279 -0.223 1
1 281 . 11 1 1 A 50 50 GLY HA2 H 50 4.052 3.788 0.264 1
1 282 . 11 1 1 A 50 50 GLY HA3 H 50 4.052 3.796 0.256 1
1 283 . 11 1 1 A 51 51 GLY H H 51 7.863 8.404 -0.541 1
1 284 . 11 1 1 A 51 51 GLY HA2 H 51 3.816 4.017 -0.201 1
1 285 . 11 1 1 A 51 51 GLY HA3 H 51 3.816 4.136 -0.320 1
1 286 . 11 1 1 A 52 52 HIS H H 52 7.963 7.924 0.039 1
1 287 . 11 1 1 A 52 52 HIS HA H 52 4.736 5.013 -0.277 1
1 290 . 11 1 1 A 53 53 ASN H H 53 8.810 8.580 0.230 1
1 291 . 11 1 1 A 53 53 ASN HA H 53 4.436 4.769 -0.333 1
1 296 . 11 1 1 A 54 54 ILE H H 54 6.778 7.989 -1.211 1
1 297 . 11 1 1 A 54 54 ILE HA H 54 3.786 3.972 -0.186 1
1 304 . 11 1 1 A 55 55 LYS H H 55 8.100 9.093 -0.993 1
1 305 . 11 1 1 A 55 55 LYS HA H 55 4.592 4.804 -0.212 1
1 310 . 11 1 1 A 56 56 ILE H H 56 8.898 8.156 0.742 1
1 311 . 11 1 1 A 56 56 ILE HA H 56 4.190 4.754 -0.564 1
1 316 . 11 1 1 A 57 57 ILE H H 57 8.835 9.083 -0.248 1
1 317 . 11 1 1 A 57 57 ILE HA H 57 4.005 3.979 0.026 1
1 327 . 11 1 1 A 58 58 ARG H H 58 7.161 7.744 -0.583 1
1 328 . 11 1 1 A 58 58 ARG HA H 58 4.316 4.649 -0.333 1
1 333 . 11 1 1 A 59 59 ASN H H 59 8.669 8.690 -0.021 1
1 334 . 11 1 1 A 59 59 ASN HA H 59 4.804 4.800 0.004 1
1 339 . 11 1 1 A 60 60 GLY H H 60 7.870 7.505 0.365 1
1 340 . 11 1 1 A 60 60 GLY HA2 H 60 3.769 4.118 -0.349 1
1 341 . 11 1 1 A 60 60 GLY HA3 H 60 3.769 4.131 -0.362 1
1 1 . 12 1 1 A 2 2 GLN H H 2 7.383 7.646 -0.263 1
1 2 . 12 1 1 A 2 2 GLN HA H 2 4.528 4.181 0.347 1
1 5 . 12 1 1 A 3 3 PHE H H 3 8.341 8.480 -0.139 1
1 6 . 12 1 1 A 3 3 PHE HA H 3 4.579 4.174 0.405 1
1 11 . 12 1 1 A 4 4 GLY H H 4 8.274 7.824 0.450 1
1 12 . 12 1 1 A 4 4 GLY HA2 H 4 3.782 4.143 -0.361 1
1 13 . 12 1 1 A 4 4 GLY HA3 H 4 3.782 4.153 -0.371 1
1 14 . 12 1 1 A 5 5 LEU H H 5 7.937 8.402 -0.465 1
1 15 . 12 1 1 A 5 5 LEU HA H 5 4.123 4.857 -0.734 1
1 19 . 12 1 1 A 6 6 PHE H H 6 8.101 8.592 -0.491 1
1 20 . 12 1 1 A 6 6 PHE HA H 6 4.394 5.489 -1.095 1
1 25 . 12 1 1 A 7 7 SER H H 7 8.000 8.903 -0.903 1
1 26 . 12 1 1 A 7 7 SER HA H 7 4.224 4.439 -0.215 1
1 29 . 12 1 1 A 8 8 LYS H H 8 7.915 7.781 0.134 1
1 30 . 12 1 1 A 8 8 LYS HA H 8 4.200 4.874 -0.674 1
1 35 . 12 1 1 A 9 9 TYR H H 9 7.768 8.920 -1.152 1
1 36 . 12 1 1 A 9 9 TYR HA H 9 4.821 4.763 0.058 1
1 43 . 12 1 1 A 10 10 ARG H H 10 8.602 8.576 0.026 1
1 44 . 12 1 1 A 10 10 ARG HA H 10 4.584 5.089 -0.505 1
1 52 . 12 1 1 A 11 11 THR H H 11 8.902 8.764 0.138 1
1 53 . 12 1 1 A 11 11 THR HA H 11 4.494 4.982 -0.488 1
1 58 . 12 1 1 A 12 12 PRO HA H 12 4.210 4.581 -0.371 1
1 61 . 12 1 1 A 13 13 ASN H H 13 8.202 8.493 -0.291 1
1 62 . 12 1 1 A 13 13 ASN HA H 13 4.858 5.170 -0.312 1
1 67 . 12 1 1 A 14 14 CYS H H 14 8.282 8.695 -0.413 1
1 68 . 12 1 1 A 14 14 CYS HA H 14 5.035 4.701 0.334 1
1 71 . 12 1 1 A 15 15 SER H H 15 8.318 7.800 0.518 1
1 72 . 12 1 1 A 15 15 SER HA H 15 4.066 4.457 -0.391 1
1 75 . 12 1 1 A 16 16 GLN H H 16 7.327 8.164 -0.837 1
1 76 . 12 1 1 A 16 16 GLN HA H 16 4.031 4.656 -0.625 1
1 83 . 12 1 1 A 17 17 TYR H H 17 7.125 8.466 -1.341 1
1 84 . 12 1 1 A 17 17 TYR HA H 17 4.771 4.219 0.552 1
1 91 . 12 1 1 A 18 18 ARG H H 18 8.137 8.379 -0.242 1
1 92 . 12 1 1 A 18 18 ARG HA H 18 4.298 4.514 -0.216 1
1 99 . 12 1 1 A 19 19 LEU H H 19 8.000 7.340 0.660 1
1 100 . 12 1 1 A 19 19 LEU HA H 19 4.628 4.640 -0.012 1
1 110 . 12 1 1 A 20 20 PRO HA H 20 4.311 4.408 -0.097 1
1 117 . 12 1 1 A 21 21 GLY H H 21 7.610 8.015 -0.405 1
1 118 . 12 1 1 A 21 21 GLY HA2 H 21 3.903 3.848 0.055 1
1 119 . 12 1 1 A 21 21 GLY HA3 H 21 3.903 3.882 0.021 1
1 120 . 12 1 1 A 22 22 CYS H H 22 8.250 7.805 0.445 1
1 121 . 12 1 1 A 22 22 CYS HA H 22 5.245 5.147 0.098 1
1 124 . 12 1 1 A 23 23 PRO HA H 23 4.394 4.272 0.122 1
1 131 . 12 1 1 A 24 24 ARG H H 24 8.583 8.793 -0.210 1
1 132 . 12 1 1 A 24 24 ARG HA H 24 4.147 4.524 -0.377 1
1 137 . 12 1 1 A 25 25 HIS H H 25 7.302 8.122 -0.820 1
1 138 . 12 1 1 A 25 25 HIS HA H 25 4.519 4.859 -0.340 1
1 142 . 12 1 1 A 26 26 PHE H H 26 8.873 8.479 0.394 1
1 143 . 12 1 1 A 26 26 PHE HA H 26 4.610 5.022 -0.412 1
1 150 . 12 1 1 A 27 27 ASN H H 27 8.579 8.913 -0.334 1
1 151 . 12 1 1 A 27 27 ASN HA H 27 4.741 5.519 -0.778 1
1 156 . 12 1 1 A 28 28 PRO HA H 28 4.453 4.480 -0.027 1
1 163 . 12 1 1 A 29 29 VAL H H 29 8.082 7.772 0.310 1
1 164 . 12 1 1 A 29 29 VAL HA H 29 4.621 4.551 0.070 1
1 172 . 12 1 1 A 30 30 CYS H H 30 8.303 9.142 -0.839 1
1 173 . 12 1 1 A 30 30 CYS HA H 30 5.212 5.208 0.004 1
1 176 . 12 1 1 A 31 31 GLY H H 31 9.261 8.514 0.747 1
1 177 . 12 1 1 A 31 31 GLY HA2 H 31 4.457 3.706 0.751 1
1 178 . 12 1 1 A 31 31 GLY HA3 H 31 4.457 4.082 0.375 1
1 179 . 12 1 1 A 32 32 SER H H 32 8.992 8.672 0.320 1
1 180 . 12 1 1 A 32 32 SER HA H 32 3.885 4.196 -0.311 1
1 183 . 12 1 1 A 33 33 ASP H H 33 8.252 7.866 0.386 1
1 184 . 12 1 1 A 33 33 ASP HA H 33 4.455 4.734 -0.279 1
1 187 . 12 1 1 A 34 34 MET H H 34 8.849 7.715 1.134 1
1 188 . 12 1 1 A 34 34 MET HA H 34 4.249 4.091 0.158 1
1 191 . 12 1 1 A 35 35 SER H H 35 7.388 7.679 -0.291 1
1 192 . 12 1 1 A 35 35 SER HA H 35 4.568 4.505 0.063 1
1 195 . 12 1 1 A 36 36 THR H H 36 8.453 8.603 -0.150 1
1 196 . 12 1 1 A 36 36 THR HA H 36 4.680 4.546 0.134 1
1 201 . 12 1 1 A 37 37 TYR H H 37 9.204 9.265 -0.061 1
1 202 . 12 1 1 A 37 37 TYR HA H 37 4.368 5.419 -1.051 1
1 209 . 12 1 1 A 38 38 ALA H H 38 8.682 8.793 -0.111 1
1 210 . 12 1 1 A 38 38 ALA HA H 38 4.600 4.487 0.113 1
1 214 . 12 1 1 A 39 39 ASN H H 39 8.654 7.685 0.969 1
1 215 . 12 1 1 A 39 39 ASN HA H 39 4.625 4.312 0.313 1
1 218 . 12 1 1 A 40 40 GLU H H 40 8.314 8.387 -0.073 1
1 219 . 12 1 1 A 40 40 GLU HA H 40 4.334 4.052 0.282 1
1 224 . 12 1 1 A 41 41 CYS H H 41 8.213 7.383 0.830 1
1 225 . 12 1 1 A 41 41 CYS HA H 41 3.783 4.688 -0.905 1
1 228 . 12 1 1 A 42 42 THR H H 42 8.282 7.593 0.689 1
1 229 . 12 1 1 A 42 42 THR HA H 42 4.314 4.153 0.161 1
1 233 . 12 1 1 A 43 43 LEU H H 43 7.235 8.454 -1.219 1
1 234 . 12 1 1 A 43 43 LEU HA H 43 3.364 3.639 -0.275 1
1 244 . 12 1 1 A 44 44 CYS H H 44 8.325 8.144 0.181 1
1 245 . 12 1 1 A 44 44 CYS HA H 44 4.225 4.176 0.049 1
1 248 . 12 1 1 A 45 45 MET H H 45 8.336 7.967 0.369 1
1 249 . 12 1 1 A 45 45 MET HA H 45 4.136 4.142 -0.006 1
1 254 . 12 1 1 A 46 46 LYS H H 46 7.558 7.639 -0.081 1
1 255 . 12 1 1 A 46 46 LYS HA H 46 4.152 3.997 0.155 1
1 260 . 12 1 1 A 47 47 ILE H H 47 8.145 8.866 -0.721 1
1 261 . 12 1 1 A 47 47 ILE HA H 47 3.697 4.031 -0.334 1
1 268 . 12 1 1 A 48 48 ARG H H 48 7.898 7.303 0.595 1
1 269 . 12 1 1 A 48 48 ARG HA H 48 3.978 4.414 -0.436 1
1 274 . 12 1 1 A 49 49 GLU H H 49 8.146 7.801 0.345 1
1 275 . 12 1 1 A 49 49 GLU HA H 49 4.144 4.378 -0.234 1
1 280 . 12 1 1 A 50 50 GLY H H 50 8.056 8.160 -0.104 1
1 281 . 12 1 1 A 50 50 GLY HA2 H 50 4.052 3.776 0.276 1
1 282 . 12 1 1 A 50 50 GLY HA3 H 50 4.052 3.786 0.266 1
1 283 . 12 1 1 A 51 51 GLY H H 51 7.863 8.508 -0.645 1
1 284 . 12 1 1 A 51 51 GLY HA2 H 51 3.816 4.009 -0.193 1
1 285 . 12 1 1 A 51 51 GLY HA3 H 51 3.816 4.135 -0.319 1
1 286 . 12 1 1 A 52 52 HIS H H 52 7.963 7.816 0.147 1
1 287 . 12 1 1 A 52 52 HIS HA H 52 4.736 5.287 -0.551 1
1 290 . 12 1 1 A 53 53 ASN H H 53 8.810 8.666 0.144 1
1 291 . 12 1 1 A 53 53 ASN HA H 53 4.436 4.718 -0.282 1
1 296 . 12 1 1 A 54 54 ILE H H 54 6.778 7.901 -1.123 1
1 297 . 12 1 1 A 54 54 ILE HA H 54 3.786 3.987 -0.201 1
1 304 . 12 1 1 A 55 55 LYS H H 55 8.100 8.955 -0.855 1
1 305 . 12 1 1 A 55 55 LYS HA H 55 4.592 4.950 -0.358 1
1 310 . 12 1 1 A 56 56 ILE H H 56 8.898 8.274 0.624 1
1 311 . 12 1 1 A 56 56 ILE HA H 56 4.190 4.364 -0.174 1
1 316 . 12 1 1 A 57 57 ILE H H 57 8.835 8.838 -0.003 1
1 317 . 12 1 1 A 57 57 ILE HA H 57 4.005 3.392 0.613 1
1 327 . 12 1 1 A 58 58 ARG H H 58 7.161 7.614 -0.453 1
1 328 . 12 1 1 A 58 58 ARG HA H 58 4.316 4.609 -0.293 1
1 333 . 12 1 1 A 59 59 ASN H H 59 8.669 8.515 0.154 1
1 334 . 12 1 1 A 59 59 ASN HA H 59 4.804 5.103 -0.299 1
1 339 . 12 1 1 A 60 60 GLY H H 60 7.870 7.722 0.148 1
1 340 . 12 1 1 A 60 60 GLY HA2 H 60 3.769 4.030 -0.261 1
1 341 . 12 1 1 A 60 60 GLY HA3 H 60 3.769 4.044 -0.275 1
1 1 . 13 1 1 A 2 2 GLN H H 2 7.383 8.266 -0.883 1
1 2 . 13 1 1 A 2 2 GLN HA H 2 4.528 4.247 0.281 1
1 5 . 13 1 1 A 3 3 PHE H H 3 8.341 8.859 -0.518 1
1 6 . 13 1 1 A 3 3 PHE HA H 3 4.579 4.780 -0.201 1
1 11 . 13 1 1 A 4 4 GLY H H 4 8.274 7.721 0.553 1
1 12 . 13 1 1 A 4 4 GLY HA2 H 4 3.782 4.085 -0.303 1
1 13 . 13 1 1 A 4 4 GLY HA3 H 4 3.782 4.087 -0.305 1
1 14 . 13 1 1 A 5 5 LEU H H 5 7.937 7.630 0.307 1
1 15 . 13 1 1 A 5 5 LEU HA H 5 4.123 4.206 -0.083 1
1 19 . 13 1 1 A 6 6 PHE H H 6 8.101 8.066 0.035 1
1 20 . 13 1 1 A 6 6 PHE HA H 6 4.394 4.729 -0.335 1
1 25 . 13 1 1 A 7 7 SER H H 7 8.000 8.125 -0.125 1
1 26 . 13 1 1 A 7 7 SER HA H 7 4.224 4.509 -0.285 1
1 29 . 13 1 1 A 8 8 LYS H H 8 7.915 7.934 -0.019 1
1 30 . 13 1 1 A 8 8 LYS HA H 8 4.200 4.889 -0.689 1
1 35 . 13 1 1 A 9 9 TYR H H 9 7.768 8.686 -0.918 1
1 36 . 13 1 1 A 9 9 TYR HA H 9 4.821 4.522 0.299 1
1 43 . 13 1 1 A 10 10 ARG H H 10 8.602 7.909 0.693 1
1 44 . 13 1 1 A 10 10 ARG HA H 10 4.584 4.600 -0.016 1
1 52 . 13 1 1 A 11 11 THR H H 11 8.902 8.514 0.388 1
1 53 . 13 1 1 A 11 11 THR HA H 11 4.494 4.994 -0.500 1
1 58 . 13 1 1 A 12 12 PRO HA H 12 4.210 4.800 -0.590 1
1 61 . 13 1 1 A 13 13 ASN H H 13 8.202 8.326 -0.124 1
1 62 . 13 1 1 A 13 13 ASN HA H 13 4.858 4.687 0.171 1
1 67 . 13 1 1 A 14 14 CYS H H 14 8.282 8.939 -0.657 1
1 68 . 13 1 1 A 14 14 CYS HA H 14 5.035 4.692 0.343 1
1 71 . 13 1 1 A 15 15 SER H H 15 8.318 8.582 -0.264 1
1 72 . 13 1 1 A 15 15 SER HA H 15 4.066 4.859 -0.793 1
1 75 . 13 1 1 A 16 16 GLN H H 16 7.327 8.013 -0.686 1
1 76 . 13 1 1 A 16 16 GLN HA H 16 4.031 4.253 -0.222 1
1 83 . 13 1 1 A 17 17 TYR H H 17 7.125 7.580 -0.455 1
1 84 . 13 1 1 A 17 17 TYR HA H 17 4.771 5.137 -0.366 1
1 91 . 13 1 1 A 18 18 ARG H H 18 8.137 9.026 -0.889 1
1 92 . 13 1 1 A 18 18 ARG HA H 18 4.298 4.619 -0.321 1
1 99 . 13 1 1 A 19 19 LEU H H 19 8.000 7.365 0.635 1
1 100 . 13 1 1 A 19 19 LEU HA H 19 4.628 4.473 0.155 1
1 110 . 13 1 1 A 20 20 PRO HA H 20 4.311 4.388 -0.077 1
1 117 . 13 1 1 A 21 21 GLY H H 21 7.610 8.047 -0.437 1
1 118 . 13 1 1 A 21 21 GLY HA2 H 21 3.903 3.948 -0.045 1
1 119 . 13 1 1 A 21 21 GLY HA3 H 21 3.903 3.952 -0.049 1
1 120 . 13 1 1 A 22 22 CYS H H 22 8.250 8.356 -0.106 1
1 121 . 13 1 1 A 22 22 CYS HA H 22 5.245 5.072 0.173 1
1 124 . 13 1 1 A 23 23 PRO HA H 23 4.394 4.529 -0.135 1
1 131 . 13 1 1 A 24 24 ARG H H 24 8.583 8.601 -0.018 1
1 132 . 13 1 1 A 24 24 ARG HA H 24 4.147 4.130 0.017 1
1 137 . 13 1 1 A 25 25 HIS H H 25 7.302 7.429 -0.127 1
1 138 . 13 1 1 A 25 25 HIS HA H 25 4.519 4.624 -0.105 1
1 142 . 13 1 1 A 26 26 PHE H H 26 8.873 7.594 1.279 1
1 143 . 13 1 1 A 26 26 PHE HA H 26 4.610 4.361 0.249 1
1 150 . 13 1 1 A 27 27 ASN H H 27 8.579 7.549 1.030 1
1 151 . 13 1 1 A 27 27 ASN HA H 27 4.741 4.788 -0.047 1
1 156 . 13 1 1 A 28 28 PRO HA H 28 4.453 4.406 0.047 1
1 163 . 13 1 1 A 29 29 VAL H H 29 8.082 7.767 0.315 1
1 164 . 13 1 1 A 29 29 VAL HA H 29 4.621 4.533 0.088 1
1 172 . 13 1 1 A 30 30 CYS H H 30 8.303 9.187 -0.884 1
1 173 . 13 1 1 A 30 30 CYS HA H 30 5.212 5.255 -0.043 1
1 176 . 13 1 1 A 31 31 GLY H H 31 9.261 8.535 0.726 1
1 177 . 13 1 1 A 31 31 GLY HA2 H 31 4.457 3.661 0.796 1
1 178 . 13 1 1 A 31 31 GLY HA3 H 31 4.457 4.117 0.340 1
1 179 . 13 1 1 A 32 32 SER H H 32 8.992 8.999 -0.007 1
1 180 . 13 1 1 A 32 32 SER HA H 32 3.885 4.378 -0.493 1
1 183 . 13 1 1 A 33 33 ASP H H 33 8.252 7.514 0.738 1
1 184 . 13 1 1 A 33 33 ASP HA H 33 4.455 4.833 -0.378 1
1 187 . 13 1 1 A 34 34 MET H H 34 8.849 8.100 0.749 1
1 188 . 13 1 1 A 34 34 MET HA H 34 4.249 4.081 0.168 1
1 191 . 13 1 1 A 35 35 SER H H 35 7.388 7.542 -0.154 1
1 192 . 13 1 1 A 35 35 SER HA H 35 4.568 4.844 -0.276 1
1 195 . 13 1 1 A 36 36 THR H H 36 8.453 8.577 -0.124 1
1 196 . 13 1 1 A 36 36 THR HA H 36 4.680 4.472 0.208 1
1 201 . 13 1 1 A 37 37 TYR H H 37 9.204 8.756 0.448 1
1 202 . 13 1 1 A 37 37 TYR HA H 37 4.368 5.412 -1.044 1
1 209 . 13 1 1 A 38 38 ALA H H 38 8.682 8.468 0.214 1
1 210 . 13 1 1 A 38 38 ALA HA H 38 4.600 4.805 -0.205 1
1 214 . 13 1 1 A 39 39 ASN H H 39 8.654 8.850 -0.196 1
1 215 . 13 1 1 A 39 39 ASN HA H 39 4.625 4.694 -0.069 1
1 218 . 13 1 1 A 40 40 GLU H H 40 8.314 8.470 -0.156 1
1 219 . 13 1 1 A 40 40 GLU HA H 40 4.334 3.712 0.622 1
1 224 . 13 1 1 A 41 41 CYS H H 41 8.213 7.616 0.597 1
1 225 . 13 1 1 A 41 41 CYS HA H 41 3.783 4.633 -0.850 1
1 228 . 13 1 1 A 42 42 THR H H 42 8.282 7.607 0.675 1
1 229 . 13 1 1 A 42 42 THR HA H 42 4.314 4.136 0.178 1
1 233 . 13 1 1 A 43 43 LEU H H 43 7.235 8.038 -0.803 1
1 234 . 13 1 1 A 43 43 LEU HA H 43 3.364 3.671 -0.307 1
1 244 . 13 1 1 A 44 44 CYS H H 44 8.325 8.324 0.001 1
1 245 . 13 1 1 A 44 44 CYS HA H 44 4.225 4.237 -0.012 1
1 248 . 13 1 1 A 45 45 MET H H 45 8.336 7.880 0.456 1
1 249 . 13 1 1 A 45 45 MET HA H 45 4.136 4.122 0.014 1
1 254 . 13 1 1 A 46 46 LYS H H 46 7.558 7.607 -0.049 1
1 255 . 13 1 1 A 46 46 LYS HA H 46 4.152 3.953 0.199 1
1 260 . 13 1 1 A 47 47 ILE H H 47 8.145 8.791 -0.646 1
1 261 . 13 1 1 A 47 47 ILE HA H 47 3.697 4.032 -0.335 1
1 268 . 13 1 1 A 48 48 ARG H H 48 7.898 7.290 0.608 1
1 269 . 13 1 1 A 48 48 ARG HA H 48 3.978 4.127 -0.149 1
1 274 . 13 1 1 A 49 49 GLU H H 49 8.146 7.571 0.575 1
1 275 . 13 1 1 A 49 49 GLU HA H 49 4.144 4.542 -0.398 1
1 280 . 13 1 1 A 50 50 GLY H H 50 8.056 8.189 -0.133 1
1 281 . 13 1 1 A 50 50 GLY HA2 H 50 4.052 3.766 0.286 1
1 282 . 13 1 1 A 50 50 GLY HA3 H 50 4.052 3.771 0.281 1
1 283 . 13 1 1 A 51 51 GLY H H 51 7.863 8.459 -0.596 1
1 284 . 13 1 1 A 51 51 GLY HA2 H 51 3.816 3.914 -0.098 1
1 285 . 13 1 1 A 51 51 GLY HA3 H 51 3.816 3.997 -0.181 1
1 286 . 13 1 1 A 52 52 HIS H H 52 7.963 7.459 0.504 1
1 287 . 13 1 1 A 52 52 HIS HA H 52 4.736 5.183 -0.447 1
1 290 . 13 1 1 A 53 53 ASN H H 53 8.810 8.842 -0.032 1
1 291 . 13 1 1 A 53 53 ASN HA H 53 4.436 5.013 -0.577 1
1 296 . 13 1 1 A 54 54 ILE H H 54 6.778 7.854 -1.076 1
1 297 . 13 1 1 A 54 54 ILE HA H 54 3.786 4.084 -0.298 1
1 304 . 13 1 1 A 55 55 LYS H H 55 8.100 9.048 -0.948 1
1 305 . 13 1 1 A 55 55 LYS HA H 55 4.592 5.040 -0.448 1
1 310 . 13 1 1 A 56 56 ILE H H 56 8.898 8.820 0.078 1
1 311 . 13 1 1 A 56 56 ILE HA H 56 4.190 4.607 -0.417 1
1 316 . 13 1 1 A 57 57 ILE H H 57 8.835 9.226 -0.391 1
1 317 . 13 1 1 A 57 57 ILE HA H 57 4.005 4.112 -0.107 1
1 327 . 13 1 1 A 58 58 ARG H H 58 7.161 7.644 -0.483 1
1 328 . 13 1 1 A 58 58 ARG HA H 58 4.316 4.595 -0.279 1
1 333 . 13 1 1 A 59 59 ASN H H 59 8.669 8.905 -0.236 1
1 334 . 13 1 1 A 59 59 ASN HA H 59 4.804 4.617 0.187 1
1 339 . 13 1 1 A 60 60 GLY H H 60 7.870 7.419 0.451 1
1 340 . 13 1 1 A 60 60 GLY HA2 H 60 3.769 4.060 -0.291 1
1 341 . 13 1 1 A 60 60 GLY HA3 H 60 3.769 4.075 -0.306 1
1 1 . 14 1 1 A 2 2 GLN H H 2 7.383 7.672 -0.289 1
1 2 . 14 1 1 A 2 2 GLN HA H 2 4.528 4.250 0.278 1
1 5 . 14 1 1 A 3 3 PHE H H 3 8.341 9.042 -0.701 1
1 6 . 14 1 1 A 3 3 PHE HA H 3 4.579 4.173 0.406 1
1 11 . 14 1 1 A 4 4 GLY H H 4 8.274 7.934 0.340 1
1 12 . 14 1 1 A 4 4 GLY HA2 H 4 3.782 3.320 0.462 1
1 13 . 14 1 1 A 4 4 GLY HA3 H 4 3.782 3.571 0.211 1
1 14 . 14 1 1 A 5 5 LEU H H 5 7.937 7.540 0.397 1
1 15 . 14 1 1 A 5 5 LEU HA H 5 4.123 4.180 -0.057 1
1 19 . 14 1 1 A 6 6 PHE H H 6 8.101 7.455 0.646 1
1 20 . 14 1 1 A 6 6 PHE HA H 6 4.394 4.060 0.334 1
1 25 . 14 1 1 A 7 7 SER H H 7 8.000 8.137 -0.137 1
1 26 . 14 1 1 A 7 7 SER HA H 7 4.224 4.708 -0.484 1
1 29 . 14 1 1 A 8 8 LYS H H 8 7.915 7.899 0.016 1
1 30 . 14 1 1 A 8 8 LYS HA H 8 4.200 4.741 -0.541 1
1 35 . 14 1 1 A 9 9 TYR H H 9 7.768 8.912 -1.144 1
1 36 . 14 1 1 A 9 9 TYR HA H 9 4.821 4.840 -0.019 1
1 43 . 14 1 1 A 10 10 ARG H H 10 8.602 8.575 0.027 1
1 44 . 14 1 1 A 10 10 ARG HA H 10 4.584 4.919 -0.335 1
1 52 . 14 1 1 A 11 11 THR H H 11 8.902 8.668 0.234 1
1 53 . 14 1 1 A 11 11 THR HA H 11 4.494 4.924 -0.430 1
1 58 . 14 1 1 A 12 12 PRO HA H 12 4.210 4.868 -0.658 1
1 61 . 14 1 1 A 13 13 ASN H H 13 8.202 8.719 -0.517 1
1 62 . 14 1 1 A 13 13 ASN HA H 13 4.858 4.753 0.105 1
1 67 . 14 1 1 A 14 14 CYS H H 14 8.282 8.410 -0.128 1
1 68 . 14 1 1 A 14 14 CYS HA H 14 5.035 4.389 0.646 1
1 71 . 14 1 1 A 15 15 SER H H 15 8.318 7.901 0.417 1
1 72 . 14 1 1 A 15 15 SER HA H 15 4.066 4.163 -0.097 1
1 75 . 14 1 1 A 16 16 GLN H H 16 7.327 7.077 0.250 1
1 76 . 14 1 1 A 16 16 GLN HA H 16 4.031 4.520 -0.489 1
1 83 . 14 1 1 A 17 17 TYR H H 17 7.125 8.689 -1.564 1
1 84 . 14 1 1 A 17 17 TYR HA H 17 4.771 4.998 -0.227 1
1 91 . 14 1 1 A 18 18 ARG H H 18 8.137 8.843 -0.706 1
1 92 . 14 1 1 A 18 18 ARG HA H 18 4.298 5.448 -1.150 1
1 99 . 14 1 1 A 19 19 LEU H H 19 8.000 9.461 -1.461 1
1 100 . 14 1 1 A 19 19 LEU HA H 19 4.628 4.716 -0.088 1
1 110 . 14 1 1 A 20 20 PRO HA H 20 4.311 4.499 -0.188 1
1 117 . 14 1 1 A 21 21 GLY H H 21 7.610 7.628 -0.018 1
1 118 . 14 1 1 A 21 21 GLY HA2 H 21 3.903 4.043 -0.140 1
1 119 . 14 1 1 A 21 21 GLY HA3 H 21 3.903 4.046 -0.143 1
1 120 . 14 1 1 A 22 22 CYS H H 22 8.250 8.456 -0.206 1
1 121 . 14 1 1 A 22 22 CYS HA H 22 5.245 5.256 -0.011 1
1 124 . 14 1 1 A 23 23 PRO HA H 23 4.394 4.695 -0.301 1
1 131 . 14 1 1 A 24 24 ARG H H 24 8.583 8.653 -0.070 1
1 132 . 14 1 1 A 24 24 ARG HA H 24 4.147 4.675 -0.528 1
1 137 . 14 1 1 A 25 25 HIS H H 25 7.302 8.877 -1.575 1
1 138 . 14 1 1 A 25 25 HIS HA H 25 4.519 4.646 -0.127 1
1 142 . 14 1 1 A 26 26 PHE H H 26 8.873 8.265 0.608 1
1 143 . 14 1 1 A 26 26 PHE HA H 26 4.610 5.222 -0.612 1
1 150 . 14 1 1 A 27 27 ASN H H 27 8.579 8.921 -0.342 1
1 151 . 14 1 1 A 27 27 ASN HA H 27 4.741 5.414 -0.673 1
1 156 . 14 1 1 A 28 28 PRO HA H 28 4.453 4.406 0.047 1
1 163 . 14 1 1 A 29 29 VAL H H 29 8.082 8.012 0.070 1
1 164 . 14 1 1 A 29 29 VAL HA H 29 4.621 4.646 -0.025 1
1 172 . 14 1 1 A 30 30 CYS H H 30 8.303 8.774 -0.471 1
1 173 . 14 1 1 A 30 30 CYS HA H 30 5.212 5.191 0.021 1
1 176 . 14 1 1 A 31 31 GLY H H 31 9.261 8.530 0.731 1
1 177 . 14 1 1 A 31 31 GLY HA2 H 31 4.457 3.765 0.692 1
1 178 . 14 1 1 A 31 31 GLY HA3 H 31 4.457 4.150 0.307 1
1 179 . 14 1 1 A 32 32 SER H H 32 8.992 9.032 -0.040 1
1 180 . 14 1 1 A 32 32 SER HA H 32 3.885 4.403 -0.518 1
1 183 . 14 1 1 A 33 33 ASP H H 33 8.252 7.948 0.304 1
1 184 . 14 1 1 A 33 33 ASP HA H 33 4.455 4.835 -0.380 1
1 187 . 14 1 1 A 34 34 MET H H 34 8.849 8.115 0.734 1
1 188 . 14 1 1 A 34 34 MET HA H 34 4.249 4.058 0.191 1
1 191 . 14 1 1 A 35 35 SER H H 35 7.388 7.811 -0.423 1
1 192 . 14 1 1 A 35 35 SER HA H 35 4.568 4.801 -0.233 1
1 195 . 14 1 1 A 36 36 THR H H 36 8.453 8.652 -0.199 1
1 196 . 14 1 1 A 36 36 THR HA H 36 4.680 4.688 -0.008 1
1 201 . 14 1 1 A 37 37 TYR H H 37 9.204 9.065 0.139 1
1 202 . 14 1 1 A 37 37 TYR HA H 37 4.368 5.439 -1.071 1
1 209 . 14 1 1 A 38 38 ALA H H 38 8.682 8.509 0.173 1
1 210 . 14 1 1 A 38 38 ALA HA H 38 4.600 4.799 -0.199 1
1 214 . 14 1 1 A 39 39 ASN H H 39 8.654 8.611 0.043 1
1 215 . 14 1 1 A 39 39 ASN HA H 39 4.625 5.285 -0.660 1
1 218 . 14 1 1 A 40 40 GLU H H 40 8.314 8.947 -0.633 1
1 219 . 14 1 1 A 40 40 GLU HA H 40 4.334 4.142 0.192 1
1 224 . 14 1 1 A 41 41 CYS H H 41 8.213 8.156 0.057 1
1 225 . 14 1 1 A 41 41 CYS HA H 41 3.783 4.524 -0.741 1
1 228 . 14 1 1 A 42 42 THR H H 42 8.282 7.681 0.601 1
1 229 . 14 1 1 A 42 42 THR HA H 42 4.314 4.238 0.076 1
1 233 . 14 1 1 A 43 43 LEU H H 43 7.235 8.334 -1.099 1
1 234 . 14 1 1 A 43 43 LEU HA H 43 3.364 3.776 -0.412 1
1 244 . 14 1 1 A 44 44 CYS H H 44 8.325 8.257 0.068 1
1 245 . 14 1 1 A 44 44 CYS HA H 44 4.225 4.259 -0.034 1
1 248 . 14 1 1 A 45 45 MET H H 45 8.336 8.082 0.254 1
1 249 . 14 1 1 A 45 45 MET HA H 45 4.136 4.179 -0.043 1
1 254 . 14 1 1 A 46 46 LYS H H 46 7.558 7.552 0.006 1
1 255 . 14 1 1 A 46 46 LYS HA H 46 4.152 4.030 0.122 1
1 260 . 14 1 1 A 47 47 ILE H H 47 8.145 8.890 -0.745 1
1 261 . 14 1 1 A 47 47 ILE HA H 47 3.697 4.058 -0.361 1
1 268 . 14 1 1 A 48 48 ARG H H 48 7.898 7.352 0.546 1
1 269 . 14 1 1 A 48 48 ARG HA H 48 3.978 4.080 -0.102 1
1 274 . 14 1 1 A 49 49 GLU H H 49 8.146 7.440 0.706 1
1 275 . 14 1 1 A 49 49 GLU HA H 49 4.144 4.542 -0.398 1
1 280 . 14 1 1 A 50 50 GLY H H 50 8.056 8.241 -0.185 1
1 281 . 14 1 1 A 50 50 GLY HA2 H 50 4.052 3.822 0.230 1
1 282 . 14 1 1 A 50 50 GLY HA3 H 50 4.052 3.823 0.229 1
1 283 . 14 1 1 A 51 51 GLY H H 51 7.863 8.485 -0.622 1
1 284 . 14 1 1 A 51 51 GLY HA2 H 51 3.816 4.137 -0.321 1
1 285 . 14 1 1 A 51 51 GLY HA3 H 51 3.816 4.172 -0.356 1
1 286 . 14 1 1 A 52 52 HIS H H 52 7.963 7.315 0.648 1
1 287 . 14 1 1 A 52 52 HIS HA H 52 4.736 4.781 -0.045 1
1 290 . 14 1 1 A 53 53 ASN H H 53 8.810 8.467 0.343 1
1 291 . 14 1 1 A 53 53 ASN HA H 53 4.436 4.800 -0.364 1
1 296 . 14 1 1 A 54 54 ILE H H 54 6.778 7.904 -1.126 1
1 297 . 14 1 1 A 54 54 ILE HA H 54 3.786 4.016 -0.230 1
1 304 . 14 1 1 A 55 55 LYS H H 55 8.100 8.463 -0.363 1
1 305 . 14 1 1 A 55 55 LYS HA H 55 4.592 5.035 -0.443 1
1 310 . 14 1 1 A 56 56 ILE H H 56 8.898 8.547 0.351 1
1 311 . 14 1 1 A 56 56 ILE HA H 56 4.190 4.823 -0.633 1
1 316 . 14 1 1 A 57 57 ILE H H 57 8.835 9.083 -0.248 1
1 317 . 14 1 1 A 57 57 ILE HA H 57 4.005 4.090 -0.085 1
1 327 . 14 1 1 A 58 58 ARG H H 58 7.161 7.147 0.014 1
1 328 . 14 1 1 A 58 58 ARG HA H 58 4.316 4.843 -0.527 1
1 333 . 14 1 1 A 59 59 ASN H H 59 8.669 8.870 -0.201 1
1 334 . 14 1 1 A 59 59 ASN HA H 59 4.804 5.019 -0.215 1
1 339 . 14 1 1 A 60 60 GLY H H 60 7.870 8.427 -0.557 1
1 340 . 14 1 1 A 60 60 GLY HA2 H 60 3.769 4.109 -0.340 1
1 341 . 14 1 1 A 60 60 GLY HA3 H 60 3.769 4.120 -0.351 1
1 1 . 15 1 1 A 2 2 GLN H H 2 7.383 8.486 -1.103 1
1 2 . 15 1 1 A 2 2 GLN HA H 2 4.528 4.068 0.460 1
1 5 . 15 1 1 A 3 3 PHE H H 3 8.341 9.083 -0.742 1
1 6 . 15 1 1 A 3 3 PHE HA H 3 4.579 4.013 0.566 1
1 11 . 15 1 1 A 4 4 GLY H H 4 8.274 8.511 -0.237 1
1 12 . 15 1 1 A 4 4 GLY HA2 H 4 3.782 3.588 0.194 1
1 13 . 15 1 1 A 4 4 GLY HA3 H 4 3.782 3.729 0.053 1
1 14 . 15 1 1 A 5 5 LEU H H 5 7.937 7.473 0.464 1
1 15 . 15 1 1 A 5 5 LEU HA H 5 4.123 4.549 -0.426 1
1 19 . 15 1 1 A 6 6 PHE H H 6 8.101 8.130 -0.029 1
1 20 . 15 1 1 A 6 6 PHE HA H 6 4.394 4.518 -0.124 1
1 25 . 15 1 1 A 7 7 SER H H 7 8.000 7.490 0.510 1
1 26 . 15 1 1 A 7 7 SER HA H 7 4.224 4.466 -0.242 1
1 29 . 15 1 1 A 8 8 LYS H H 8 7.915 8.204 -0.289 1
1 30 . 15 1 1 A 8 8 LYS HA H 8 4.200 4.348 -0.148 1
1 35 . 15 1 1 A 9 9 TYR H H 9 7.768 8.512 -0.744 1
1 36 . 15 1 1 A 9 9 TYR HA H 9 4.821 4.701 0.120 1
1 43 . 15 1 1 A 10 10 ARG H H 10 8.602 8.837 -0.235 1
1 44 . 15 1 1 A 10 10 ARG HA H 10 4.584 4.680 -0.096 1
1 52 . 15 1 1 A 11 11 THR H H 11 8.902 8.851 0.051 1
1 53 . 15 1 1 A 11 11 THR HA H 11 4.494 4.616 -0.122 1
1 58 . 15 1 1 A 12 12 PRO HA H 12 4.210 4.532 -0.322 1
1 61 . 15 1 1 A 13 13 ASN H H 13 8.202 8.751 -0.549 1
1 62 . 15 1 1 A 13 13 ASN HA H 13 4.858 4.914 -0.056 1
1 67 . 15 1 1 A 14 14 CYS H H 14 8.282 8.587 -0.305 1
1 68 . 15 1 1 A 14 14 CYS HA H 14 5.035 4.706 0.329 1
1 71 . 15 1 1 A 15 15 SER H H 15 8.318 7.954 0.364 1
1 72 . 15 1 1 A 15 15 SER HA H 15 4.066 4.416 -0.350 1
1 75 . 15 1 1 A 16 16 GLN H H 16 7.327 8.173 -0.846 1
1 76 . 15 1 1 A 16 16 GLN HA H 16 4.031 4.252 -0.221 1
1 83 . 15 1 1 A 17 17 TYR H H 17 7.125 7.494 -0.369 1
1 84 . 15 1 1 A 17 17 TYR HA H 17 4.771 5.213 -0.442 1
1 91 . 15 1 1 A 18 18 ARG H H 18 8.137 8.762 -0.625 1
1 92 . 15 1 1 A 18 18 ARG HA H 18 4.298 5.054 -0.756 1
1 99 . 15 1 1 A 19 19 LEU H H 19 8.000 8.865 -0.865 1
1 100 . 15 1 1 A 19 19 LEU HA H 19 4.628 4.735 -0.107 1
1 110 . 15 1 1 A 20 20 PRO HA H 20 4.311 4.433 -0.122 1
1 117 . 15 1 1 A 21 21 GLY H H 21 7.610 7.950 -0.340 1
1 118 . 15 1 1 A 21 21 GLY HA2 H 21 3.903 3.939 -0.036 1
1 119 . 15 1 1 A 21 21 GLY HA3 H 21 3.903 3.944 -0.041 1
1 120 . 15 1 1 A 22 22 CYS H H 22 8.250 7.863 0.387 1
1 121 . 15 1 1 A 22 22 CYS HA H 22 5.245 4.959 0.286 1
1 124 . 15 1 1 A 23 23 PRO HA H 23 4.394 4.556 -0.162 1
1 131 . 15 1 1 A 24 24 ARG H H 24 8.583 9.161 -0.578 1
1 132 . 15 1 1 A 24 24 ARG HA H 24 4.147 4.170 -0.023 1
1 137 . 15 1 1 A 25 25 HIS H H 25 7.302 7.743 -0.441 1
1 138 . 15 1 1 A 25 25 HIS HA H 25 4.519 4.664 -0.145 1
1 142 . 15 1 1 A 26 26 PHE H H 26 8.873 7.987 0.886 1
1 143 . 15 1 1 A 26 26 PHE HA H 26 4.610 4.319 0.291 1
1 150 . 15 1 1 A 27 27 ASN H H 27 8.579 8.439 0.140 1
1 151 . 15 1 1 A 27 27 ASN HA H 27 4.741 5.416 -0.675 1
1 156 . 15 1 1 A 28 28 PRO HA H 28 4.453 4.372 0.081 1
1 163 . 15 1 1 A 29 29 VAL H H 29 8.082 7.998 0.084 1
1 164 . 15 1 1 A 29 29 VAL HA H 29 4.621 4.612 0.009 1
1 172 . 15 1 1 A 30 30 CYS H H 30 8.303 8.971 -0.668 1
1 173 . 15 1 1 A 30 30 CYS HA H 30 5.212 5.236 -0.024 1
1 176 . 15 1 1 A 31 31 GLY H H 31 9.261 8.525 0.736 1
1 177 . 15 1 1 A 31 31 GLY HA2 H 31 4.457 3.702 0.755 1
1 178 . 15 1 1 A 31 31 GLY HA3 H 31 4.457 4.082 0.375 1
1 179 . 15 1 1 A 32 32 SER H H 32 8.992 8.854 0.138 1
1 180 . 15 1 1 A 32 32 SER HA H 32 3.885 4.468 -0.583 1
1 183 . 15 1 1 A 33 33 ASP H H 33 8.252 7.855 0.397 1
1 184 . 15 1 1 A 33 33 ASP HA H 33 4.455 4.872 -0.417 1
1 187 . 15 1 1 A 34 34 MET H H 34 8.849 8.102 0.747 1
1 188 . 15 1 1 A 34 34 MET HA H 34 4.249 4.032 0.217 1
1 191 . 15 1 1 A 35 35 SER H H 35 7.388 7.513 -0.125 1
1 192 . 15 1 1 A 35 35 SER HA H 35 4.568 4.744 -0.176 1
1 195 . 15 1 1 A 36 36 THR H H 36 8.453 8.608 -0.155 1
1 196 . 15 1 1 A 36 36 THR HA H 36 4.680 4.451 0.229 1
1 201 . 15 1 1 A 37 37 TYR H H 37 9.204 8.918 0.286 1
1 202 . 15 1 1 A 37 37 TYR HA H 37 4.368 5.427 -1.059 1
1 209 . 15 1 1 A 38 38 ALA H H 38 8.682 8.710 -0.028 1
1 210 . 15 1 1 A 38 38 ALA HA H 38 4.600 4.832 -0.232 1
1 214 . 15 1 1 A 39 39 ASN H H 39 8.654 8.647 0.007 1
1 215 . 15 1 1 A 39 39 ASN HA H 39 4.625 5.172 -0.547 1
1 218 . 15 1 1 A 40 40 GLU H H 40 8.314 8.462 -0.148 1
1 219 . 15 1 1 A 40 40 GLU HA H 40 4.334 4.203 0.131 1
1 224 . 15 1 1 A 41 41 CYS H H 41 8.213 8.000 0.213 1
1 225 . 15 1 1 A 41 41 CYS HA H 41 3.783 4.681 -0.898 1
1 228 . 15 1 1 A 42 42 THR H H 42 8.282 7.889 0.393 1
1 229 . 15 1 1 A 42 42 THR HA H 42 4.314 4.245 0.069 1
1 233 . 15 1 1 A 43 43 LEU H H 43 7.235 8.034 -0.799 1
1 234 . 15 1 1 A 43 43 LEU HA H 43 3.364 3.736 -0.372 1
1 244 . 15 1 1 A 44 44 CYS H H 44 8.325 8.366 -0.041 1
1 245 . 15 1 1 A 44 44 CYS HA H 44 4.225 4.319 -0.094 1
1 248 . 15 1 1 A 45 45 MET H H 45 8.336 7.943 0.393 1
1 249 . 15 1 1 A 45 45 MET HA H 45 4.136 4.133 0.003 1
1 254 . 15 1 1 A 46 46 LYS H H 46 7.558 7.602 -0.044 1
1 255 . 15 1 1 A 46 46 LYS HA H 46 4.152 3.999 0.153 1
1 260 . 15 1 1 A 47 47 ILE H H 47 8.145 8.877 -0.732 1
1 261 . 15 1 1 A 47 47 ILE HA H 47 3.697 4.085 -0.388 1
1 268 . 15 1 1 A 48 48 ARG H H 48 7.898 7.724 0.174 1
1 269 . 15 1 1 A 48 48 ARG HA H 48 3.978 4.123 -0.145 1
1 274 . 15 1 1 A 49 49 GLU H H 49 8.146 7.455 0.691 1
1 275 . 15 1 1 A 49 49 GLU HA H 49 4.144 4.536 -0.392 1
1 280 . 15 1 1 A 50 50 GLY H H 50 8.056 8.271 -0.215 1
1 281 . 15 1 1 A 50 50 GLY HA2 H 50 4.052 3.790 0.262 1
1 282 . 15 1 1 A 50 50 GLY HA3 H 50 4.052 3.791 0.261 1
1 283 . 15 1 1 A 51 51 GLY H H 51 7.863 8.388 -0.525 1
1 284 . 15 1 1 A 51 51 GLY HA2 H 51 3.816 4.131 -0.315 1
1 285 . 15 1 1 A 51 51 GLY HA3 H 51 3.816 4.163 -0.347 1
1 286 . 15 1 1 A 52 52 HIS H H 52 7.963 7.315 0.648 1
1 287 . 15 1 1 A 52 52 HIS HA H 52 4.736 4.776 -0.040 1
1 290 . 15 1 1 A 53 53 ASN H H 53 8.810 8.435 0.375 1
1 291 . 15 1 1 A 53 53 ASN HA H 53 4.436 4.804 -0.368 1
1 296 . 15 1 1 A 54 54 ILE H H 54 6.778 7.876 -1.098 1
1 297 . 15 1 1 A 54 54 ILE HA H 54 3.786 4.562 -0.776 1
1 304 . 15 1 1 A 55 55 LYS H H 55 8.100 9.531 -1.431 1
1 305 . 15 1 1 A 55 55 LYS HA H 55 4.592 4.982 -0.390 1
1 310 . 15 1 1 A 56 56 ILE H H 56 8.898 8.664 0.234 1
1 311 . 15 1 1 A 56 56 ILE HA H 56 4.190 4.496 -0.306 1
1 316 . 15 1 1 A 57 57 ILE H H 57 8.835 8.913 -0.078 1
1 317 . 15 1 1 A 57 57 ILE HA H 57 4.005 2.975 1.030 1
1 327 . 15 1 1 A 58 58 ARG H H 58 7.161 7.637 -0.476 1
1 328 . 15 1 1 A 58 58 ARG HA H 58 4.316 4.571 -0.255 1
1 333 . 15 1 1 A 59 59 ASN H H 59 8.669 8.857 -0.188 1
1 334 . 15 1 1 A 59 59 ASN HA H 59 4.804 5.047 -0.243 1
1 339 . 15 1 1 A 60 60 GLY H H 60 7.870 8.016 -0.146 1
1 340 . 15 1 1 A 60 60 GLY HA2 H 60 3.769 4.063 -0.294 1
1 341 . 15 1 1 A 60 60 GLY HA3 H 60 3.769 4.068 -0.299 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 55 0.565 1
5 1 1 1 "RMS(OBS, PRED)" HA 65 0.378 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 55 0.533 1
11 1 2 1 "RMS(OBS, PRED)" HA 65 0.387 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 55 0.593 1
17 1 3 1 "RMS(OBS, PRED)" HA 65 0.394 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 55 0.625 1
23 1 4 1 "RMS(OBS, PRED)" HA 65 0.404 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 55 0.539 1
29 1 5 1 "RMS(OBS, PRED)" HA 65 0.432 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 55 0.571 1
35 1 6 1 "RMS(OBS, PRED)" HA 65 0.381 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 55 0.557 1
41 1 7 1 "RMS(OBS, PRED)" HA 65 0.394 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 55 0.566 1
47 1 8 1 "RMS(OBS, PRED)" HA 65 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 55 0.552 1
53 1 9 1 "RMS(OBS, PRED)" HA 65 0.444 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 55 0.628 1
59 1 10 1 "RMS(OBS, PRED)" HA 65 0.362 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 55 0.578 1
65 1 11 1 "RMS(OBS, PRED)" HA 65 0.395 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 55 0.588 1
71 1 12 1 "RMS(OBS, PRED)" HA 65 0.409 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 55 0.565 1
77 1 13 1 "RMS(OBS, PRED)" HA 65 0.362 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 55 0.596 1
83 1 14 1 "RMS(OBS, PRED)" HA 65 0.409 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 55 0.536 1
89 1 15 1 "RMS(OBS, PRED)" HA 65 0.387 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 2 2 GLN H H 2 7.383 8.542 -1.159 2
1 2 . 1 1 A 2 2 GLN HA H 2 4.528 4.434 0.094 2
1 5 . 1 1 A 3 3 PHE H H 3 8.341 8.602 -0.261 2
1 6 . 1 1 A 3 3 PHE HA H 3 4.579 4.424 0.155 2
1 11 . 1 1 A 4 4 GLY H H 4 8.274 8.144 0.130 2
1 12 . 1 1 A 4 4 GLY HA2 H 4 3.782 3.758 0.024 2
1 13 . 1 1 A 4 4 GLY HA3 H 4 3.782 3.877 -0.095 2
1 14 . 1 1 A 5 5 LEU H H 5 7.937 8.023 -0.086 2
1 15 . 1 1 A 5 5 LEU HA H 5 4.123 4.525 -0.402 2
1 19 . 1 1 A 6 6 PHE H H 6 8.101 8.222 -0.121 2
1 20 . 1 1 A 6 6 PHE HA H 6 4.394 4.572 -0.178 2
1 25 . 1 1 A 7 7 SER H H 7 8.000 8.244 -0.244 2
1 26 . 1 1 A 7 7 SER HA H 7 4.224 4.542 -0.318 2
1 29 . 1 1 A 8 8 LYS H H 8 7.915 8.092 -0.177 2
1 30 . 1 1 A 8 8 LYS HA H 8 4.200 4.489 -0.289 2
1 35 . 1 1 A 9 9 TYR H H 9 7.768 8.511 -0.743 2
1 36 . 1 1 A 9 9 TYR HA H 9 4.821 4.696 0.125 2
1 43 . 1 1 A 10 10 ARG H H 10 8.602 8.473 0.129 2
1 44 . 1 1 A 10 10 ARG HA H 10 4.584 4.972 -0.388 2
1 52 . 1 1 A 11 11 THR H H 11 8.902 8.789 0.113 2
1 53 . 1 1 A 11 11 THR HA H 11 4.494 4.868 -0.374 2
1 58 . 1 1 A 12 12 PRO HA H 12 4.210 4.636 -0.426 2
1 61 . 1 1 A 13 13 ASN H H 13 8.202 8.587 -0.385 2
1 62 . 1 1 A 13 13 ASN HA H 13 4.858 4.857 0.001 2
1 67 . 1 1 A 14 14 CYS H H 14 8.282 8.779 -0.497 2
1 68 . 1 1 A 14 14 CYS HA H 14 5.035 4.452 0.583 2
1 71 . 1 1 A 15 15 SER H H 15 8.318 8.112 0.206 2
1 72 . 1 1 A 15 15 SER HA H 15 4.066 4.477 -0.411 2
1 75 . 1 1 A 16 16 GLN H H 16 7.327 7.818 -0.491 2
1 76 . 1 1 A 16 16 GLN HA H 16 4.031 4.433 -0.402 2
1 83 . 1 1 A 17 17 TYR H H 17 7.125 7.976 -0.851 2
1 84 . 1 1 A 17 17 TYR HA H 17 4.771 4.856 -0.085 2
1 91 . 1 1 A 18 18 ARG H H 18 8.137 8.687 -0.550 2
1 92 . 1 1 A 18 18 ARG HA H 18 4.298 4.682 -0.384 2
1 99 . 1 1 A 19 19 LEU H H 19 8.000 8.326 -0.326 2
1 100 . 1 1 A 19 19 LEU HA H 19 4.628 4.635 -0.007 2
1 110 . 1 1 A 20 20 PRO HA H 20 4.311 4.455 -0.144 2
1 117 . 1 1 A 21 21 GLY H H 21 7.610 7.839 -0.229 2
1 118 . 1 1 A 21 21 GLY HA2 H 21 3.903 3.980 -0.077 2
1 119 . 1 1 A 21 21 GLY HA3 H 21 3.903 3.988 -0.085 2
1 120 . 1 1 A 22 22 CYS H H 22 8.250 8.246 0.004 2
1 121 . 1 1 A 22 22 CYS HA H 22 5.245 5.051 0.194 2
1 124 . 1 1 A 23 23 PRO HA H 23 4.394 4.549 -0.155 2
1 131 . 1 1 A 24 24 ARG H H 24 8.583 8.767 -0.184 2
1 132 . 1 1 A 24 24 ARG HA H 24 4.147 4.242 -0.095 2
1 137 . 1 1 A 25 25 HIS H H 25 7.302 8.138 -0.836 2
1 138 . 1 1 A 25 25 HIS HA H 25 4.519 4.779 -0.260 2
1 142 . 1 1 A 26 26 PHE H H 26 8.873 8.115 0.758 2
1 143 . 1 1 A 26 26 PHE HA H 26 4.610 5.018 -0.408 2
1 150 . 1 1 A 27 27 ASN H H 27 8.579 8.651 -0.072 2
1 151 . 1 1 A 27 27 ASN HA H 27 4.741 5.348 -0.607 2
1 156 . 1 1 A 28 28 PRO HA H 28 4.453 4.397 0.056 2
1 163 . 1 1 A 29 29 VAL H H 29 8.082 7.835 0.247 2
1 164 . 1 1 A 29 29 VAL HA H 29 4.621 4.554 0.067 2
1 172 . 1 1 A 30 30 CYS H H 30 8.303 9.066 -0.763 2
1 173 . 1 1 A 30 30 CYS HA H 30 5.212 5.271 -0.059 2
1 176 . 1 1 A 31 31 GLY H H 31 9.261 8.598 0.663 2
1 177 . 1 1 A 31 31 GLY HA2 H 31 4.457 3.761 0.696 2
1 178 . 1 1 A 31 31 GLY HA3 H 31 4.457 4.126 0.331 2
1 179 . 1 1 A 32 32 SER H H 32 8.992 8.876 0.116 2
1 180 . 1 1 A 32 32 SER HA H 32 3.885 4.346 -0.461 2
1 183 . 1 1 A 33 33 ASP H H 33 8.252 7.904 0.348 2
1 184 . 1 1 A 33 33 ASP HA H 33 4.455 4.730 -0.275 2
1 187 . 1 1 A 34 34 MET H H 34 8.849 7.920 0.929 2
1 188 . 1 1 A 34 34 MET HA H 34 4.249 4.100 0.149 2
1 191 . 1 1 A 35 35 SER H H 35 7.388 7.571 -0.183 2
1 192 . 1 1 A 35 35 SER HA H 35 4.568 4.765 -0.197 2
1 195 . 1 1 A 36 36 THR H H 36 8.453 8.538 -0.085 2
1 196 . 1 1 A 36 36 THR HA H 36 4.680 4.587 0.093 2
1 201 . 1 1 A 37 37 TYR H H 37 9.204 9.009 0.195 2
1 202 . 1 1 A 37 37 TYR HA H 37 4.368 5.553 -1.185 2
1 209 . 1 1 A 38 38 ALA H H 38 8.682 8.568 0.114 2
1 210 . 1 1 A 38 38 ALA HA H 38 4.600 4.636 -0.036 2
1 214 . 1 1 A 39 39 ASN H H 39 8.654 8.516 0.138 2
1 215 . 1 1 A 39 39 ASN HA H 39 4.625 4.698 -0.073 2
1 218 . 1 1 A 40 40 GLU H H 40 8.314 8.685 -0.371 2
1 219 . 1 1 A 40 40 GLU HA H 40 4.334 4.088 0.246 2
1 224 . 1 1 A 41 41 CYS H H 41 8.213 7.852 0.361 2
1 225 . 1 1 A 41 41 CYS HA H 41 3.783 4.643 -0.860 2
1 228 . 1 1 A 42 42 THR H H 42 8.282 7.723 0.559 2
1 229 . 1 1 A 42 42 THR HA H 42 4.314 4.262 0.052 2
1 233 . 1 1 A 43 43 LEU H H 43 7.235 8.190 -0.955 2
1 234 . 1 1 A 43 43 LEU HA H 43 3.364 3.716 -0.352 2
1 244 . 1 1 A 44 44 CYS H H 44 8.325 8.272 0.053 2
1 245 . 1 1 A 44 44 CYS HA H 44 4.225 4.229 -0.004 2
1 248 . 1 1 A 45 45 MET H H 45 8.336 8.077 0.259 2
1 249 . 1 1 A 45 45 MET HA H 45 4.136 4.167 -0.031 2
1 254 . 1 1 A 46 46 LYS H H 46 7.558 7.631 -0.073 2
1 255 . 1 1 A 46 46 LYS HA H 46 4.152 4.011 0.141 2
1 260 . 1 1 A 47 47 ILE H H 47 8.145 8.839 -0.694 2
1 261 . 1 1 A 47 47 ILE HA H 47 3.697 4.067 -0.370 2
1 268 . 1 1 A 48 48 ARG H H 48 7.898 7.598 0.300 2
1 269 . 1 1 A 48 48 ARG HA H 48 3.978 4.122 -0.144 2
1 274 . 1 1 A 49 49 GLU H H 49 8.146 7.542 0.604 2
1 275 . 1 1 A 49 49 GLU HA H 49 4.144 4.512 -0.368 2
1 280 . 1 1 A 50 50 GLY H H 50 8.056 8.248 -0.192 2
1 281 . 1 1 A 50 50 GLY HA2 H 50 4.052 3.817 0.235 2
1 282 . 1 1 A 50 50 GLY HA3 H 50 4.052 3.824 0.228 2
1 283 . 1 1 A 51 51 GLY H H 51 7.863 8.403 -0.540 2
1 284 . 1 1 A 51 51 GLY HA2 H 51 3.816 4.048 -0.232 2
1 285 . 1 1 A 51 51 GLY HA3 H 51 3.816 4.121 -0.305 2
1 286 . 1 1 A 52 52 HIS H H 52 7.963 7.567 0.396 2
1 287 . 1 1 A 52 52 HIS HA H 52 4.736 5.057 -0.321 2
1 290 . 1 1 A 53 53 ASN H H 53 8.810 8.638 0.172 2
1 291 . 1 1 A 53 53 ASN HA H 53 4.436 4.837 -0.401 2
1 296 . 1 1 A 54 54 ILE H H 54 6.778 7.931 -1.153 2
1 297 . 1 1 A 54 54 ILE HA H 54 3.786 4.087 -0.301 2
1 304 . 1 1 A 55 55 LYS H H 55 8.100 8.853 -0.753 2
1 305 . 1 1 A 55 55 LYS HA H 55 4.592 4.952 -0.360 2
1 310 . 1 1 A 56 56 ILE H H 56 8.898 8.509 0.389 2
1 311 . 1 1 A 56 56 ILE HA H 56 4.190 4.584 -0.394 2
1 316 . 1 1 A 57 57 ILE H H 57 8.835 9.055 -0.220 2
1 317 . 1 1 A 57 57 ILE HA H 57 4.005 3.851 0.154 2
1 327 . 1 1 A 58 58 ARG H H 58 7.161 7.609 -0.448 2
1 328 . 1 1 A 58 58 ARG HA H 58 4.316 4.687 -0.371 2
1 333 . 1 1 A 59 59 ASN H H 59 8.669 8.743 -0.074 2
1 334 . 1 1 A 59 59 ASN HA H 59 4.804 4.823 -0.019 2
1 339 . 1 1 A 60 60 GLY H H 60 7.870 7.687 0.183 2
1 340 . 1 1 A 60 60 GLY HA2 H 60 3.769 4.072 -0.303 2
1 341 . 1 1 A 60 60 GLY HA3 H 60 3.769 4.081 -0.312 2
stop_
save_