data_15987_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 15987
_Entry.PDB_ID 2K9I
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 3 . 1 1 1 A 2 2 ARG H H 3 8.676 8.936 -0.260 1
1 4 . 1 1 1 A 2 2 ARG HA H 3 4.608 3.742 0.866 1
1 12 . 1 1 1 A 3 3 PRO HA H 4 4.419 4.554 -0.135 1
1 19 . 1 1 1 A 4 4 TYR H H 5 8.180 7.297 0.883 1
1 20 . 1 1 1 A 4 4 TYR HA H 5 4.449 4.764 -0.315 1
1 27 . 1 1 1 A 5 5 LYS H H 6 8.129 9.058 -0.929 1
1 28 . 1 1 1 A 5 5 LYS HA H 6 4.135 4.187 -0.052 1
1 37 . 1 1 1 A 6 6 LEU H H 7 7.959 8.708 -0.749 1
1 38 . 1 1 1 A 6 6 LEU HA H 7 4.200 4.398 -0.198 1
1 48 . 1 1 1 A 7 7 LEU H H 8 8.116 7.582 0.534 1
1 49 . 1 1 1 A 7 7 LEU HA H 8 4.177 4.251 -0.074 1
1 59 . 1 1 1 A 8 8 ASN H H 9 8.390 7.559 0.831 1
1 60 . 1 1 1 A 8 8 ASN HA H 9 4.562 4.354 0.208 1
1 65 . 1 1 1 A 9 9 GLY H H 10 7.889 7.795 0.094 1
1 66 . 1 1 1 A 9 9 GLY HA2 H 10 3.608 4.141 -0.533 1
1 67 . 1 1 1 A 9 9 GLY HA3 H 10 4.077 4.142 -0.065 1
1 68 . 1 1 1 A 10 10 ILE H H 11 8.883 9.067 -0.184 1
1 69 . 1 1 1 A 10 10 ILE HA H 11 4.404 4.873 -0.469 1
1 79 . 1 1 1 A 11 11 LYS H H 12 8.432 8.798 -0.366 1
1 80 . 1 1 1 A 11 11 LYS HA H 12 3.920 5.062 -1.142 1
1 87 . 1 1 1 A 12 12 LEU H H 13 8.896 8.954 -0.058 1
1 88 . 1 1 1 A 12 12 LEU HA H 13 4.500 5.072 -0.572 1
1 98 . 1 1 1 A 13 13 GLY H H 14 8.545 9.127 -0.582 1
1 99 . 1 1 1 A 13 13 GLY HA2 H 14 3.323 4.103 -0.780 1
1 100 . 1 1 1 A 13 13 GLY HA3 H 14 4.918 4.130 0.788 1
1 101 . 1 1 1 A 14 14 VAL H H 15 8.419 9.051 -0.632 1
1 102 . 1 1 1 A 14 14 VAL HA H 15 4.369 4.765 -0.396 1
1 110 . 1 1 1 A 15 15 TYR H H 16 8.680 9.078 -0.398 1
1 111 . 1 1 1 A 15 15 TYR HA H 16 4.963 5.140 -0.177 1
1 118 . 1 1 1 A 16 16 ILE H H 17 8.794 8.792 0.002 1
1 119 . 1 1 1 A 16 16 ILE HA H 17 4.670 4.884 -0.214 1
1 129 . 1 1 1 A 17 17 PRO HA H 18 4.356 4.520 -0.164 1
1 136 . 1 1 1 A 18 18 GLN H H 19 9.107 9.050 0.057 1
1 137 . 1 1 1 A 18 18 GLN HA H 19 3.772 4.021 -0.249 1
1 144 . 1 1 1 A 19 19 GLU H H 20 9.483 8.452 1.031 1
1 145 . 1 1 1 A 19 19 GLU HA H 20 4.244 4.118 0.126 1
1 150 . 1 1 1 A 20 20 TRP H H 21 7.250 8.058 -0.808 1
1 151 . 1 1 1 A 20 20 TRP HA H 21 4.608 4.430 0.178 1
1 160 . 1 1 1 A 21 21 HIS H H 22 8.005 8.439 -0.434 1
1 161 . 1 1 1 A 21 21 HIS HA H 22 3.887 4.227 -0.340 1
1 166 . 1 1 1 A 22 22 ASP H H 23 8.843 8.767 0.076 1
1 167 . 1 1 1 A 22 22 ASP HA H 23 4.364 4.263 0.101 1
1 170 . 1 1 1 A 23 23 ARG H H 24 7.746 7.796 -0.050 1
1 171 . 1 1 1 A 23 23 ARG HA H 24 4.203 4.075 0.128 1
1 179 . 1 1 1 A 24 24 LEU H H 25 8.474 8.027 0.447 1
1 180 . 1 1 1 A 24 24 LEU HA H 25 3.940 3.832 0.108 1
1 190 . 1 1 1 A 25 25 MET H H 26 8.044 7.999 0.045 1
1 191 . 1 1 1 A 25 25 MET HA H 26 4.205 4.063 0.142 1
1 199 . 1 1 1 A 26 26 GLU H H 27 7.709 7.894 -0.185 1
1 200 . 1 1 1 A 26 26 GLU HA H 27 4.139 4.066 0.073 1
1 205 . 1 1 1 A 27 27 ILE H H 28 7.828 7.872 -0.044 1
1 206 . 1 1 1 A 27 27 ILE HA H 28 3.666 3.777 -0.111 1
1 216 . 1 1 1 A 28 28 ALA H H 29 8.459 8.295 0.164 1
1 217 . 1 1 1 A 28 28 ALA HA H 29 3.610 3.956 -0.346 1
1 221 . 1 1 1 A 29 29 LYS H H 30 8.015 7.595 0.420 1
1 222 . 1 1 1 A 29 29 LYS HA H 30 4.144 4.123 0.021 1
1 234 . 1 1 1 A 30 30 GLU H H 31 8.096 7.626 0.470 1
1 235 . 1 1 1 A 30 30 GLU HA H 31 4.064 4.087 -0.023 1
1 240 . 1 1 1 A 31 31 LYS H H 32 8.033 7.443 0.590 1
1 241 . 1 1 1 A 31 31 LYS HA H 32 4.313 4.355 -0.042 1
1 248 . 1 1 1 A 32 32 ASN H H 33 7.959 8.187 -0.228 1
1 249 . 1 1 1 A 32 32 ASN HA H 33 4.419 4.300 0.119 1
1 254 . 1 1 1 A 33 33 LEU H H 34 8.538 7.777 0.761 1
1 255 . 1 1 1 A 33 33 LEU HA H 34 4.925 4.916 0.009 1
1 265 . 1 1 1 A 34 34 THR H H 35 8.656 8.730 -0.074 1
1 266 . 1 1 1 A 34 34 THR HA H 35 4.608 4.824 -0.216 1
1 271 . 1 1 1 A 35 35 LEU H H 36 9.000 8.546 0.454 1
1 272 . 1 1 1 A 35 35 LEU HA H 36 3.908 3.797 0.111 1
1 282 . 1 1 1 A 36 36 SER H H 37 8.656 7.887 0.769 1
1 283 . 1 1 1 A 36 36 SER HA H 37 4.059 4.027 0.032 1
1 286 . 1 1 1 A 37 37 ASP H H 38 7.984 8.071 -0.087 1
1 287 . 1 1 1 A 37 37 ASP HA H 38 4.355 4.376 -0.021 1
1 290 . 1 1 1 A 38 38 VAL H H 39 8.015 7.905 0.110 1
1 291 . 1 1 1 A 38 38 VAL HA H 39 3.576 3.493 0.083 1
1 299 . 1 1 1 A 39 39 CYS H H 40 8.260 8.520 -0.260 1
1 300 . 1 1 1 A 39 39 CYS HA H 40 3.777 4.034 -0.257 1
1 303 . 1 1 1 A 40 40 ARG H H 41 8.206 7.964 0.242 1
1 304 . 1 1 1 A 40 40 ARG HA H 41 4.008 4.069 -0.061 1
1 312 . 1 1 1 A 41 41 LEU H H 42 7.822 8.478 -0.656 1
1 313 . 1 1 1 A 41 41 LEU HA H 42 4.036 4.129 -0.093 1
1 323 . 1 1 1 A 42 42 ALA H H 43 7.741 7.831 -0.090 1
1 324 . 1 1 1 A 42 42 ALA HA H 43 3.699 4.051 -0.352 1
1 328 . 1 1 1 A 43 43 ILE H H 44 8.043 7.750 0.293 1
1 329 . 1 1 1 A 43 43 ILE HA H 44 3.423 3.845 -0.422 1
1 339 . 1 1 1 A 44 44 LYS H H 45 8.432 7.979 0.453 1
1 340 . 1 1 1 A 44 44 LYS HA H 45 3.014 4.029 -1.015 1
1 349 . 1 1 1 A 45 45 GLU H H 46 8.370 7.813 0.557 1
1 350 . 1 1 1 A 45 45 GLU HA H 46 4.002 4.107 -0.105 1
1 355 . 1 1 1 A 46 46 TYR H H 47 7.703 8.271 -0.568 1
1 356 . 1 1 1 A 46 46 TYR HA H 47 4.308 4.259 0.049 1
1 363 . 1 1 1 A 47 47 LEU H H 48 8.432 8.699 -0.267 1
1 364 . 1 1 1 A 47 47 LEU HA H 48 3.709 3.894 -0.185 1
1 374 . 1 1 1 A 48 48 ASP H H 49 8.530 8.206 0.324 1
1 375 . 1 1 1 A 48 48 ASP HA H 49 4.255 4.343 -0.088 1
1 378 . 1 1 1 A 49 49 ASN H H 50 7.934 7.921 0.013 1
1 379 . 1 1 1 A 49 49 ASN HA H 50 4.482 4.531 -0.049 1
1 384 . 1 1 1 A 50 50 HIS H H 51 7.830 7.861 -0.031 1
1 385 . 1 1 1 A 50 50 HIS HA H 51 4.424 4.426 -0.002 1
1 390 . 1 1 1 A 51 51 ASP H H 52 8.052 8.131 -0.079 1
1 391 . 1 1 1 A 51 51 ASP HA H 52 4.680 4.868 -0.188 1
1 394 . 1 1 1 A 52 52 LYS H H 53 8.069 8.763 -0.694 1
1 395 . 1 1 1 A 52 52 LYS HA H 53 4.220 4.490 -0.270 1
1 404 . 1 1 1 A 53 53 GLN H H 54 8.246 7.679 0.567 1
1 405 . 1 1 1 A 53 53 GLN HA H 54 4.257 4.225 0.032 1
1 412 . 1 1 1 A 54 54 LYS H H 55 8.200 8.466 -0.266 1
1 413 . 1 1 1 A 54 54 LYS HA H 55 4.266 3.860 0.406 1
1 3 . 2 1 1 A 2 2 ARG H H 3 8.676 8.388 0.288 1
1 4 . 2 1 1 A 2 2 ARG HA H 3 4.608 4.901 -0.293 1
1 12 . 2 1 1 A 3 3 PRO HA H 4 4.419 4.839 -0.420 1
1 19 . 2 1 1 A 4 4 TYR H H 5 8.180 8.983 -0.803 1
1 20 . 2 1 1 A 4 4 TYR HA H 5 4.449 4.424 0.025 1
1 27 . 2 1 1 A 5 5 LYS H H 6 8.129 7.989 0.140 1
1 28 . 2 1 1 A 5 5 LYS HA H 6 4.135 3.895 0.240 1
1 37 . 2 1 1 A 6 6 LEU H H 7 7.959 7.705 0.254 1
1 38 . 2 1 1 A 6 6 LEU HA H 7 4.200 4.212 -0.012 1
1 48 . 2 1 1 A 7 7 LEU H H 8 8.116 7.926 0.190 1
1 49 . 2 1 1 A 7 7 LEU HA H 8 4.177 4.466 -0.289 1
1 59 . 2 1 1 A 8 8 ASN H H 9 8.390 8.288 0.102 1
1 60 . 2 1 1 A 8 8 ASN HA H 9 4.562 5.409 -0.847 1
1 65 . 2 1 1 A 9 9 GLY H H 10 7.889 8.434 -0.545 1
1 66 . 2 1 1 A 9 9 GLY HA2 H 10 3.608 4.259 -0.651 1
1 67 . 2 1 1 A 9 9 GLY HA3 H 10 4.077 4.260 -0.183 1
1 68 . 2 1 1 A 10 10 ILE H H 11 8.883 8.978 -0.095 1
1 69 . 2 1 1 A 10 10 ILE HA H 11 4.404 4.956 -0.552 1
1 79 . 2 1 1 A 11 11 LYS H H 12 8.432 8.556 -0.124 1
1 80 . 2 1 1 A 11 11 LYS HA H 12 3.920 4.959 -1.039 1
1 87 . 2 1 1 A 12 12 LEU H H 13 8.896 8.945 -0.049 1
1 88 . 2 1 1 A 12 12 LEU HA H 13 4.500 5.065 -0.565 1
1 98 . 2 1 1 A 13 13 GLY H H 14 8.545 9.064 -0.519 1
1 99 . 2 1 1 A 13 13 GLY HA2 H 14 3.323 4.147 -0.824 1
1 100 . 2 1 1 A 13 13 GLY HA3 H 14 4.918 4.161 0.757 1
1 101 . 2 1 1 A 14 14 VAL H H 15 8.419 8.885 -0.466 1
1 102 . 2 1 1 A 14 14 VAL HA H 15 4.369 5.045 -0.676 1
1 110 . 2 1 1 A 15 15 TYR H H 16 8.680 8.876 -0.196 1
1 111 . 2 1 1 A 15 15 TYR HA H 16 4.963 5.249 -0.286 1
1 118 . 2 1 1 A 16 16 ILE H H 17 8.794 8.906 -0.112 1
1 119 . 2 1 1 A 16 16 ILE HA H 17 4.670 4.609 0.061 1
1 129 . 2 1 1 A 17 17 PRO HA H 18 4.356 4.468 -0.112 1
1 136 . 2 1 1 A 18 18 GLN H H 19 9.107 8.607 0.500 1
1 137 . 2 1 1 A 18 18 GLN HA H 19 3.772 3.977 -0.205 1
1 144 . 2 1 1 A 19 19 GLU H H 20 9.483 8.731 0.752 1
1 145 . 2 1 1 A 19 19 GLU HA H 20 4.244 4.204 0.040 1
1 150 . 2 1 1 A 20 20 TRP H H 21 7.250 7.829 -0.579 1
1 151 . 2 1 1 A 20 20 TRP HA H 21 4.608 4.562 0.046 1
1 160 . 2 1 1 A 21 21 HIS H H 22 8.005 8.289 -0.284 1
1 161 . 2 1 1 A 21 21 HIS HA H 22 3.887 4.307 -0.420 1
1 166 . 2 1 1 A 22 22 ASP H H 23 8.843 8.745 0.098 1
1 167 . 2 1 1 A 22 22 ASP HA H 23 4.364 4.252 0.112 1
1 170 . 2 1 1 A 23 23 ARG H H 24 7.746 7.777 -0.031 1
1 171 . 2 1 1 A 23 23 ARG HA H 24 4.203 4.105 0.098 1
1 179 . 2 1 1 A 24 24 LEU H H 25 8.474 8.261 0.213 1
1 180 . 2 1 1 A 24 24 LEU HA H 25 3.940 3.942 -0.002 1
1 190 . 2 1 1 A 25 25 MET H H 26 8.044 8.594 -0.550 1
1 191 . 2 1 1 A 25 25 MET HA H 26 4.205 4.099 0.106 1
1 199 . 2 1 1 A 26 26 GLU H H 27 7.709 7.943 -0.234 1
1 200 . 2 1 1 A 26 26 GLU HA H 27 4.139 4.105 0.034 1
1 205 . 2 1 1 A 27 27 ILE H H 28 7.828 7.894 -0.066 1
1 206 . 2 1 1 A 27 27 ILE HA H 28 3.666 3.743 -0.077 1
1 216 . 2 1 1 A 28 28 ALA H H 29 8.459 8.615 -0.156 1
1 217 . 2 1 1 A 28 28 ALA HA H 29 3.610 4.045 -0.435 1
1 221 . 2 1 1 A 29 29 LYS H H 30 8.015 7.447 0.568 1
1 222 . 2 1 1 A 29 29 LYS HA H 30 4.144 4.045 0.099 1
1 234 . 2 1 1 A 30 30 GLU H H 31 8.096 7.732 0.364 1
1 235 . 2 1 1 A 30 30 GLU HA H 31 4.064 4.059 0.005 1
1 240 . 2 1 1 A 31 31 LYS H H 32 8.033 7.609 0.424 1
1 241 . 2 1 1 A 31 31 LYS HA H 32 4.313 4.361 -0.048 1
1 248 . 2 1 1 A 32 32 ASN H H 33 7.959 8.187 -0.228 1
1 249 . 2 1 1 A 32 32 ASN HA H 33 4.419 4.375 0.044 1
1 254 . 2 1 1 A 33 33 LEU H H 34 8.538 7.853 0.685 1
1 255 . 2 1 1 A 33 33 LEU HA H 34 4.925 4.919 0.006 1
1 265 . 2 1 1 A 34 34 THR H H 35 8.656 8.655 0.001 1
1 266 . 2 1 1 A 34 34 THR HA H 35 4.608 4.849 -0.241 1
1 271 . 2 1 1 A 35 35 LEU H H 36 9.000 8.781 0.219 1
1 272 . 2 1 1 A 35 35 LEU HA H 36 3.908 3.864 0.044 1
1 282 . 2 1 1 A 36 36 SER H H 37 8.656 8.333 0.323 1
1 283 . 2 1 1 A 36 36 SER HA H 37 4.059 4.142 -0.083 1
1 286 . 2 1 1 A 37 37 ASP H H 38 7.984 8.320 -0.336 1
1 287 . 2 1 1 A 37 37 ASP HA H 38 4.355 4.344 0.011 1
1 290 . 2 1 1 A 38 38 VAL H H 39 8.015 8.295 -0.280 1
1 291 . 2 1 1 A 38 38 VAL HA H 39 3.576 3.562 0.014 1
1 299 . 2 1 1 A 39 39 CYS H H 40 8.260 8.115 0.145 1
1 300 . 2 1 1 A 39 39 CYS HA H 40 3.777 4.109 -0.332 1
1 303 . 2 1 1 A 40 40 ARG H H 41 8.206 8.010 0.196 1
1 304 . 2 1 1 A 40 40 ARG HA H 41 4.008 4.076 -0.068 1
1 312 . 2 1 1 A 41 41 LEU H H 42 7.822 8.633 -0.811 1
1 313 . 2 1 1 A 41 41 LEU HA H 42 4.036 4.156 -0.120 1
1 323 . 2 1 1 A 42 42 ALA H H 43 7.741 7.818 -0.077 1
1 324 . 2 1 1 A 42 42 ALA HA H 43 3.699 4.115 -0.416 1
1 328 . 2 1 1 A 43 43 ILE H H 44 8.043 7.554 0.489 1
1 329 . 2 1 1 A 43 43 ILE HA H 44 3.423 3.708 -0.285 1
1 339 . 2 1 1 A 44 44 LYS H H 45 8.432 7.838 0.594 1
1 340 . 2 1 1 A 44 44 LYS HA H 45 3.014 3.962 -0.948 1
1 349 . 2 1 1 A 45 45 GLU H H 46 8.370 7.705 0.665 1
1 350 . 2 1 1 A 45 45 GLU HA H 46 4.002 4.092 -0.090 1
1 355 . 2 1 1 A 46 46 TYR H H 47 7.703 8.370 -0.667 1
1 356 . 2 1 1 A 46 46 TYR HA H 47 4.308 4.367 -0.059 1
1 363 . 2 1 1 A 47 47 LEU H H 48 8.432 8.792 -0.360 1
1 364 . 2 1 1 A 47 47 LEU HA H 48 3.709 3.965 -0.256 1
1 374 . 2 1 1 A 48 48 ASP H H 49 8.530 8.292 0.238 1
1 375 . 2 1 1 A 48 48 ASP HA H 49 4.255 4.294 -0.039 1
1 378 . 2 1 1 A 49 49 ASN H H 50 7.934 8.854 -0.920 1
1 379 . 2 1 1 A 49 49 ASN HA H 50 4.482 4.435 0.047 1
1 384 . 2 1 1 A 50 50 HIS H H 51 7.830 7.224 0.606 1
1 385 . 2 1 1 A 50 50 HIS HA H 51 4.424 4.327 0.097 1
1 390 . 2 1 1 A 51 51 ASP H H 52 8.052 7.906 0.146 1
1 391 . 2 1 1 A 51 51 ASP HA H 52 4.680 4.800 -0.120 1
1 394 . 2 1 1 A 52 52 LYS H H 53 8.069 7.847 0.222 1
1 395 . 2 1 1 A 52 52 LYS HA H 53 4.220 4.279 -0.059 1
1 404 . 2 1 1 A 53 53 GLN H H 54 8.246 7.507 0.739 1
1 405 . 2 1 1 A 53 53 GLN HA H 54 4.257 4.572 -0.315 1
1 412 . 2 1 1 A 54 54 LYS H H 55 8.200 8.313 -0.113 1
1 413 . 2 1 1 A 54 54 LYS HA H 55 4.266 4.317 -0.051 1
1 3 . 3 1 1 A 2 2 ARG H H 3 8.676 8.137 0.539 1
1 4 . 3 1 1 A 2 2 ARG HA H 3 4.608 4.732 -0.124 1
1 12 . 3 1 1 A 3 3 PRO HA H 4 4.419 4.365 0.054 1
1 19 . 3 1 1 A 4 4 TYR H H 5 8.180 8.052 0.128 1
1 20 . 3 1 1 A 4 4 TYR HA H 5 4.449 4.165 0.284 1
1 27 . 3 1 1 A 5 5 LYS H H 6 8.129 8.313 -0.184 1
1 28 . 3 1 1 A 5 5 LYS HA H 6 4.135 4.311 -0.176 1
1 37 . 3 1 1 A 6 6 LEU H H 7 7.959 7.968 -0.009 1
1 38 . 3 1 1 A 6 6 LEU HA H 7 4.200 3.972 0.228 1
1 48 . 3 1 1 A 7 7 LEU H H 8 8.116 8.305 -0.189 1
1 49 . 3 1 1 A 7 7 LEU HA H 8 4.177 3.954 0.223 1
1 59 . 3 1 1 A 8 8 ASN H H 9 8.390 8.620 -0.230 1
1 60 . 3 1 1 A 8 8 ASN HA H 9 4.562 4.273 0.289 1
1 65 . 3 1 1 A 9 9 GLY H H 10 7.889 7.617 0.272 1
1 66 . 3 1 1 A 9 9 GLY HA2 H 10 3.608 4.146 -0.538 1
1 67 . 3 1 1 A 9 9 GLY HA3 H 10 4.077 4.148 -0.071 1
1 68 . 3 1 1 A 10 10 ILE H H 11 8.883 8.760 0.123 1
1 69 . 3 1 1 A 10 10 ILE HA H 11 4.404 4.758 -0.354 1
1 79 . 3 1 1 A 11 11 LYS H H 12 8.432 9.055 -0.623 1
1 80 . 3 1 1 A 11 11 LYS HA H 12 3.920 5.130 -1.210 1
1 87 . 3 1 1 A 12 12 LEU H H 13 8.896 9.044 -0.148 1
1 88 . 3 1 1 A 12 12 LEU HA H 13 4.500 5.147 -0.647 1
1 98 . 3 1 1 A 13 13 GLY H H 14 8.545 9.145 -0.600 1
1 99 . 3 1 1 A 13 13 GLY HA2 H 14 3.323 4.150 -0.827 1
1 100 . 3 1 1 A 13 13 GLY HA3 H 14 4.918 4.194 0.724 1
1 101 . 3 1 1 A 14 14 VAL H H 15 8.419 9.126 -0.707 1
1 102 . 3 1 1 A 14 14 VAL HA H 15 4.369 5.069 -0.700 1
1 110 . 3 1 1 A 15 15 TYR H H 16 8.680 9.085 -0.405 1
1 111 . 3 1 1 A 15 15 TYR HA H 16 4.963 5.306 -0.343 1
1 118 . 3 1 1 A 16 16 ILE H H 17 8.794 8.741 0.053 1
1 119 . 3 1 1 A 16 16 ILE HA H 17 4.670 5.135 -0.465 1
1 129 . 3 1 1 A 17 17 PRO HA H 18 4.356 4.624 -0.268 1
1 136 . 3 1 1 A 18 18 GLN H H 19 9.107 9.041 0.066 1
1 137 . 3 1 1 A 18 18 GLN HA H 19 3.772 3.951 -0.179 1
1 144 . 3 1 1 A 19 19 GLU H H 20 9.483 8.551 0.932 1
1 145 . 3 1 1 A 19 19 GLU HA H 20 4.244 4.111 0.133 1
1 150 . 3 1 1 A 20 20 TRP H H 21 7.250 8.201 -0.951 1
1 151 . 3 1 1 A 20 20 TRP HA H 21 4.608 4.402 0.206 1
1 160 . 3 1 1 A 21 21 HIS H H 22 8.005 8.396 -0.391 1
1 161 . 3 1 1 A 21 21 HIS HA H 22 3.887 3.969 -0.082 1
1 166 . 3 1 1 A 22 22 ASP H H 23 8.843 8.715 0.128 1
1 167 . 3 1 1 A 22 22 ASP HA H 23 4.364 4.221 0.143 1
1 170 . 3 1 1 A 23 23 ARG H H 24 7.746 7.664 0.082 1
1 171 . 3 1 1 A 23 23 ARG HA H 24 4.203 4.151 0.052 1
1 179 . 3 1 1 A 24 24 LEU H H 25 8.474 7.918 0.556 1
1 180 . 3 1 1 A 24 24 LEU HA H 25 3.940 3.929 0.011 1
1 190 . 3 1 1 A 25 25 MET H H 26 8.044 8.111 -0.067 1
1 191 . 3 1 1 A 25 25 MET HA H 26 4.205 3.939 0.266 1
1 199 . 3 1 1 A 26 26 GLU H H 27 7.709 7.840 -0.131 1
1 200 . 3 1 1 A 26 26 GLU HA H 27 4.139 4.084 0.055 1
1 205 . 3 1 1 A 27 27 ILE H H 28 7.828 8.013 -0.185 1
1 206 . 3 1 1 A 27 27 ILE HA H 28 3.666 3.758 -0.092 1
1 216 . 3 1 1 A 28 28 ALA H H 29 8.459 8.319 0.140 1
1 217 . 3 1 1 A 28 28 ALA HA H 29 3.610 3.902 -0.292 1
1 221 . 3 1 1 A 29 29 LYS H H 30 8.015 7.681 0.334 1
1 222 . 3 1 1 A 29 29 LYS HA H 30 4.144 4.081 0.063 1
1 234 . 3 1 1 A 30 30 GLU H H 31 8.096 7.686 0.410 1
1 235 . 3 1 1 A 30 30 GLU HA H 31 4.064 4.067 -0.003 1
1 240 . 3 1 1 A 31 31 LYS H H 32 8.033 7.414 0.619 1
1 241 . 3 1 1 A 31 31 LYS HA H 32 4.313 4.363 -0.050 1
1 248 . 3 1 1 A 32 32 ASN H H 33 7.959 7.986 -0.027 1
1 249 . 3 1 1 A 32 32 ASN HA H 33 4.419 4.244 0.175 1
1 254 . 3 1 1 A 33 33 LEU H H 34 8.538 7.723 0.815 1
1 255 . 3 1 1 A 33 33 LEU HA H 34 4.925 4.899 0.026 1
1 265 . 3 1 1 A 34 34 THR H H 35 8.656 8.070 0.586 1
1 266 . 3 1 1 A 34 34 THR HA H 35 4.608 4.812 -0.204 1
1 271 . 3 1 1 A 35 35 LEU H H 36 9.000 8.847 0.153 1
1 272 . 3 1 1 A 35 35 LEU HA H 36 3.908 3.755 0.153 1
1 282 . 3 1 1 A 36 36 SER H H 37 8.656 7.873 0.783 1
1 283 . 3 1 1 A 36 36 SER HA H 37 4.059 3.995 0.064 1
1 286 . 3 1 1 A 37 37 ASP H H 38 7.984 8.047 -0.063 1
1 287 . 3 1 1 A 37 37 ASP HA H 38 4.355 4.327 0.028 1
1 290 . 3 1 1 A 38 38 VAL H H 39 8.015 8.013 0.002 1
1 291 . 3 1 1 A 38 38 VAL HA H 39 3.576 3.545 0.031 1
1 299 . 3 1 1 A 39 39 CYS H H 40 8.260 8.202 0.058 1
1 300 . 3 1 1 A 39 39 CYS HA H 40 3.777 4.076 -0.299 1
1 303 . 3 1 1 A 40 40 ARG H H 41 8.206 7.952 0.254 1
1 304 . 3 1 1 A 40 40 ARG HA H 41 4.008 4.082 -0.074 1
1 312 . 3 1 1 A 41 41 LEU H H 42 7.822 8.344 -0.522 1
1 313 . 3 1 1 A 41 41 LEU HA H 42 4.036 4.153 -0.117 1
1 323 . 3 1 1 A 42 42 ALA H H 43 7.741 7.821 -0.080 1
1 324 . 3 1 1 A 42 42 ALA HA H 43 3.699 4.078 -0.379 1
1 328 . 3 1 1 A 43 43 ILE H H 44 8.043 7.594 0.449 1
1 329 . 3 1 1 A 43 43 ILE HA H 44 3.423 3.881 -0.458 1
1 339 . 3 1 1 A 44 44 LYS H H 45 8.432 7.933 0.499 1
1 340 . 3 1 1 A 44 44 LYS HA H 45 3.014 3.974 -0.960 1
1 349 . 3 1 1 A 45 45 GLU H H 46 8.370 7.760 0.610 1
1 350 . 3 1 1 A 45 45 GLU HA H 46 4.002 4.069 -0.067 1
1 355 . 3 1 1 A 46 46 TYR H H 47 7.703 8.199 -0.496 1
1 356 . 3 1 1 A 46 46 TYR HA H 47 4.308 4.223 0.085 1
1 363 . 3 1 1 A 47 47 LEU H H 48 8.432 8.871 -0.439 1
1 364 . 3 1 1 A 47 47 LEU HA H 48 3.709 3.536 0.173 1
1 374 . 3 1 1 A 48 48 ASP H H 49 8.530 8.101 0.429 1
1 375 . 3 1 1 A 48 48 ASP HA H 49 4.255 4.424 -0.169 1
1 378 . 3 1 1 A 49 49 ASN H H 50 7.934 7.659 0.275 1
1 379 . 3 1 1 A 49 49 ASN HA H 50 4.482 4.400 0.082 1
1 384 . 3 1 1 A 50 50 HIS H H 51 7.830 7.328 0.502 1
1 385 . 3 1 1 A 50 50 HIS HA H 51 4.424 4.573 -0.149 1
1 390 . 3 1 1 A 51 51 ASP H H 52 8.052 8.012 0.040 1
1 391 . 3 1 1 A 51 51 ASP HA H 52 4.680 4.898 -0.218 1
1 394 . 3 1 1 A 52 52 LYS H H 53 8.069 8.218 -0.149 1
1 395 . 3 1 1 A 52 52 LYS HA H 53 4.220 4.104 0.116 1
1 404 . 3 1 1 A 53 53 GLN H H 54 8.246 7.764 0.482 1
1 405 . 3 1 1 A 53 53 GLN HA H 54 4.257 4.498 -0.241 1
1 412 . 3 1 1 A 54 54 LYS H H 55 8.200 8.707 -0.507 1
1 413 . 3 1 1 A 54 54 LYS HA H 55 4.266 4.469 -0.203 1
1 3 . 4 1 1 A 2 2 ARG H H 3 8.676 8.212 0.464 1
1 4 . 4 1 1 A 2 2 ARG HA H 3 4.608 5.001 -0.393 1
1 12 . 4 1 1 A 3 3 PRO HA H 4 4.419 4.467 -0.048 1
1 19 . 4 1 1 A 4 4 TYR H H 5 8.180 7.731 0.449 1
1 20 . 4 1 1 A 4 4 TYR HA H 5 4.449 4.772 -0.323 1
1 27 . 4 1 1 A 5 5 LYS H H 6 8.129 6.664 1.465 1
1 28 . 4 1 1 A 5 5 LYS HA H 6 4.135 4.612 -0.477 1
1 37 . 4 1 1 A 6 6 LEU H H 7 7.959 8.435 -0.476 1
1 38 . 4 1 1 A 6 6 LEU HA H 7 4.200 4.355 -0.155 1
1 48 . 4 1 1 A 7 7 LEU H H 8 8.116 8.868 -0.752 1
1 49 . 4 1 1 A 7 7 LEU HA H 8 4.177 3.911 0.266 1
1 59 . 4 1 1 A 8 8 ASN H H 9 8.390 8.468 -0.078 1
1 60 . 4 1 1 A 8 8 ASN HA H 9 4.562 4.332 0.230 1
1 65 . 4 1 1 A 9 9 GLY H H 10 7.889 7.664 0.225 1
1 66 . 4 1 1 A 9 9 GLY HA2 H 10 3.608 4.064 -0.456 1
1 67 . 4 1 1 A 9 9 GLY HA3 H 10 4.077 4.065 0.012 1
1 68 . 4 1 1 A 10 10 ILE H H 11 8.883 8.551 0.332 1
1 69 . 4 1 1 A 10 10 ILE HA H 11 4.404 4.755 -0.351 1
1 79 . 4 1 1 A 11 11 LYS H H 12 8.432 8.979 -0.547 1
1 80 . 4 1 1 A 11 11 LYS HA H 12 3.920 5.202 -1.282 1
1 87 . 4 1 1 A 12 12 LEU H H 13 8.896 8.931 -0.035 1
1 88 . 4 1 1 A 12 12 LEU HA H 13 4.500 5.144 -0.644 1
1 98 . 4 1 1 A 13 13 GLY H H 14 8.545 8.927 -0.382 1
1 99 . 4 1 1 A 13 13 GLY HA2 H 14 3.323 4.132 -0.809 1
1 100 . 4 1 1 A 13 13 GLY HA3 H 14 4.918 4.164 0.754 1
1 101 . 4 1 1 A 14 14 VAL H H 15 8.419 8.800 -0.381 1
1 102 . 4 1 1 A 14 14 VAL HA H 15 4.369 5.026 -0.657 1
1 110 . 4 1 1 A 15 15 TYR H H 16 8.680 8.936 -0.256 1
1 111 . 4 1 1 A 15 15 TYR HA H 16 4.963 5.380 -0.417 1
1 118 . 4 1 1 A 16 16 ILE H H 17 8.794 8.901 -0.107 1
1 119 . 4 1 1 A 16 16 ILE HA H 17 4.670 4.698 -0.028 1
1 129 . 4 1 1 A 17 17 PRO HA H 18 4.356 4.589 -0.233 1
1 136 . 4 1 1 A 18 18 GLN H H 19 9.107 8.722 0.385 1
1 137 . 4 1 1 A 18 18 GLN HA H 19 3.772 4.088 -0.316 1
1 144 . 4 1 1 A 19 19 GLU H H 20 9.483 8.492 0.991 1
1 145 . 4 1 1 A 19 19 GLU HA H 20 4.244 4.052 0.192 1
1 150 . 4 1 1 A 20 20 TRP H H 21 7.250 7.899 -0.649 1
1 151 . 4 1 1 A 20 20 TRP HA H 21 4.608 4.544 0.064 1
1 160 . 4 1 1 A 21 21 HIS H H 22 8.005 8.222 -0.217 1
1 161 . 4 1 1 A 21 21 HIS HA H 22 3.887 4.332 -0.445 1
1 166 . 4 1 1 A 22 22 ASP H H 23 8.843 8.623 0.220 1
1 167 . 4 1 1 A 22 22 ASP HA H 23 4.364 4.222 0.142 1
1 170 . 4 1 1 A 23 23 ARG H H 24 7.746 7.637 0.109 1
1 171 . 4 1 1 A 23 23 ARG HA H 24 4.203 4.059 0.144 1
1 179 . 4 1 1 A 24 24 LEU H H 25 8.474 8.572 -0.098 1
1 180 . 4 1 1 A 24 24 LEU HA H 25 3.940 4.043 -0.103 1
1 190 . 4 1 1 A 25 25 MET H H 26 8.044 8.561 -0.517 1
1 191 . 4 1 1 A 25 25 MET HA H 26 4.205 4.106 0.099 1
1 199 . 4 1 1 A 26 26 GLU H H 27 7.709 7.889 -0.180 1
1 200 . 4 1 1 A 26 26 GLU HA H 27 4.139 4.156 -0.017 1
1 205 . 4 1 1 A 27 27 ILE H H 28 7.828 8.231 -0.403 1
1 206 . 4 1 1 A 27 27 ILE HA H 28 3.666 3.728 -0.062 1
1 216 . 4 1 1 A 28 28 ALA H H 29 8.459 8.501 -0.042 1
1 217 . 4 1 1 A 28 28 ALA HA H 29 3.610 4.040 -0.430 1
1 221 . 4 1 1 A 29 29 LYS H H 30 8.015 7.438 0.577 1
1 222 . 4 1 1 A 29 29 LYS HA H 30 4.144 4.086 0.058 1
1 234 . 4 1 1 A 30 30 GLU H H 31 8.096 7.922 0.174 1
1 235 . 4 1 1 A 30 30 GLU HA H 31 4.064 4.098 -0.034 1
1 240 . 4 1 1 A 31 31 LYS H H 32 8.033 7.437 0.596 1
1 241 . 4 1 1 A 31 31 LYS HA H 32 4.313 4.371 -0.058 1
1 248 . 4 1 1 A 32 32 ASN H H 33 7.959 7.855 0.104 1
1 249 . 4 1 1 A 32 32 ASN HA H 33 4.419 4.323 0.096 1
1 254 . 4 1 1 A 33 33 LEU H H 34 8.538 7.811 0.727 1
1 255 . 4 1 1 A 33 33 LEU HA H 34 4.925 4.887 0.038 1
1 265 . 4 1 1 A 34 34 THR H H 35 8.656 8.113 0.543 1
1 266 . 4 1 1 A 34 34 THR HA H 35 4.608 4.862 -0.254 1
1 271 . 4 1 1 A 35 35 LEU H H 36 9.000 8.937 0.063 1
1 272 . 4 1 1 A 35 35 LEU HA H 36 3.908 3.865 0.043 1
1 282 . 4 1 1 A 36 36 SER H H 37 8.656 7.912 0.744 1
1 283 . 4 1 1 A 36 36 SER HA H 37 4.059 3.999 0.060 1
1 286 . 4 1 1 A 37 37 ASP H H 38 7.984 8.023 -0.039 1
1 287 . 4 1 1 A 37 37 ASP HA H 38 4.355 4.331 0.024 1
1 290 . 4 1 1 A 38 38 VAL H H 39 8.015 8.393 -0.378 1
1 291 . 4 1 1 A 38 38 VAL HA H 39 3.576 3.568 0.008 1
1 299 . 4 1 1 A 39 39 CYS H H 40 8.260 8.323 -0.063 1
1 300 . 4 1 1 A 39 39 CYS HA H 40 3.777 4.064 -0.287 1
1 303 . 4 1 1 A 40 40 ARG H H 41 8.206 7.855 0.351 1
1 304 . 4 1 1 A 40 40 ARG HA H 41 4.008 4.050 -0.042 1
1 312 . 4 1 1 A 41 41 LEU H H 42 7.822 8.420 -0.598 1
1 313 . 4 1 1 A 41 41 LEU HA H 42 4.036 4.107 -0.071 1
1 323 . 4 1 1 A 42 42 ALA H H 43 7.741 7.887 -0.146 1
1 324 . 4 1 1 A 42 42 ALA HA H 43 3.699 4.136 -0.437 1
1 328 . 4 1 1 A 43 43 ILE H H 44 8.043 7.604 0.439 1
1 329 . 4 1 1 A 43 43 ILE HA H 44 3.423 3.635 -0.212 1
1 339 . 4 1 1 A 44 44 LYS H H 45 8.432 7.768 0.664 1
1 340 . 4 1 1 A 44 44 LYS HA H 45 3.014 3.996 -0.982 1
1 349 . 4 1 1 A 45 45 GLU H H 46 8.370 7.673 0.697 1
1 350 . 4 1 1 A 45 45 GLU HA H 46 4.002 4.107 -0.105 1
1 355 . 4 1 1 A 46 46 TYR H H 47 7.703 8.228 -0.525 1
1 356 . 4 1 1 A 46 46 TYR HA H 47 4.308 4.238 0.070 1
1 363 . 4 1 1 A 47 47 LEU H H 48 8.432 8.765 -0.333 1
1 364 . 4 1 1 A 47 47 LEU HA H 48 3.709 3.871 -0.162 1
1 374 . 4 1 1 A 48 48 ASP H H 49 8.530 8.435 0.095 1
1 375 . 4 1 1 A 48 48 ASP HA H 49 4.255 4.378 -0.123 1
1 378 . 4 1 1 A 49 49 ASN H H 50 7.934 7.835 0.099 1
1 379 . 4 1 1 A 49 49 ASN HA H 50 4.482 4.603 -0.121 1
1 384 . 4 1 1 A 50 50 HIS H H 51 7.830 7.591 0.239 1
1 385 . 4 1 1 A 50 50 HIS HA H 51 4.424 4.409 0.015 1
1 390 . 4 1 1 A 51 51 ASP H H 52 8.052 8.172 -0.120 1
1 391 . 4 1 1 A 51 51 ASP HA H 52 4.680 4.681 -0.001 1
1 394 . 4 1 1 A 52 52 LYS H H 53 8.069 9.153 -1.084 1
1 395 . 4 1 1 A 52 52 LYS HA H 53 4.220 4.255 -0.035 1
1 404 . 4 1 1 A 53 53 GLN H H 54 8.246 7.841 0.405 1
1 405 . 4 1 1 A 53 53 GLN HA H 54 4.257 4.528 -0.271 1
1 412 . 4 1 1 A 54 54 LYS H H 55 8.200 7.826 0.374 1
1 413 . 4 1 1 A 54 54 LYS HA H 55 4.266 4.439 -0.173 1
1 3 . 5 1 1 A 2 2 ARG H H 3 8.676 8.768 -0.092 1
1 4 . 5 1 1 A 2 2 ARG HA H 3 4.608 4.356 0.252 1
1 12 . 5 1 1 A 3 3 PRO HA H 4 4.419 4.363 0.056 1
1 19 . 5 1 1 A 4 4 TYR H H 5 8.180 7.725 0.455 1
1 20 . 5 1 1 A 4 4 TYR HA H 5 4.449 4.779 -0.330 1
1 27 . 5 1 1 A 5 5 LYS H H 6 8.129 7.146 0.983 1
1 28 . 5 1 1 A 5 5 LYS HA H 6 4.135 4.237 -0.102 1
1 37 . 5 1 1 A 6 6 LEU H H 7 7.959 7.967 -0.008 1
1 38 . 5 1 1 A 6 6 LEU HA H 7 4.200 3.917 0.283 1
1 48 . 5 1 1 A 7 7 LEU H H 8 8.116 7.913 0.203 1
1 49 . 5 1 1 A 7 7 LEU HA H 8 4.177 4.418 -0.241 1
1 59 . 5 1 1 A 8 8 ASN H H 9 8.390 8.308 0.082 1
1 60 . 5 1 1 A 8 8 ASN HA H 9 4.562 4.192 0.370 1
1 65 . 5 1 1 A 9 9 GLY H H 10 7.889 7.677 0.212 1
1 66 . 5 1 1 A 9 9 GLY HA2 H 10 3.608 3.993 -0.385 1
1 67 . 5 1 1 A 9 9 GLY HA3 H 10 4.077 3.994 0.083 1
1 68 . 5 1 1 A 10 10 ILE H H 11 8.883 8.531 0.352 1
1 69 . 5 1 1 A 10 10 ILE HA H 11 4.404 4.934 -0.530 1
1 79 . 5 1 1 A 11 11 LYS H H 12 8.432 8.792 -0.360 1
1 80 . 5 1 1 A 11 11 LYS HA H 12 3.920 5.092 -1.172 1
1 87 . 5 1 1 A 12 12 LEU H H 13 8.896 8.996 -0.100 1
1 88 . 5 1 1 A 12 12 LEU HA H 13 4.500 5.251 -0.751 1
1 98 . 5 1 1 A 13 13 GLY H H 14 8.545 8.455 0.090 1
1 99 . 5 1 1 A 13 13 GLY HA2 H 14 3.323 4.334 -1.011 1
1 100 . 5 1 1 A 13 13 GLY HA3 H 14 4.918 4.339 0.579 1
1 101 . 5 1 1 A 14 14 VAL H H 15 8.419 8.480 -0.061 1
1 102 . 5 1 1 A 14 14 VAL HA H 15 4.369 4.896 -0.527 1
1 110 . 5 1 1 A 15 15 TYR H H 16 8.680 8.633 0.047 1
1 111 . 5 1 1 A 15 15 TYR HA H 16 4.963 5.342 -0.379 1
1 118 . 5 1 1 A 16 16 ILE H H 17 8.794 8.950 -0.156 1
1 119 . 5 1 1 A 16 16 ILE HA H 17 4.670 4.589 0.081 1
1 129 . 5 1 1 A 17 17 PRO HA H 18 4.356 4.584 -0.228 1
1 136 . 5 1 1 A 18 18 GLN H H 19 9.107 8.679 0.428 1
1 137 . 5 1 1 A 18 18 GLN HA H 19 3.772 4.089 -0.317 1
1 144 . 5 1 1 A 19 19 GLU H H 20 9.483 8.386 1.097 1
1 145 . 5 1 1 A 19 19 GLU HA H 20 4.244 4.119 0.125 1
1 150 . 5 1 1 A 20 20 TRP H H 21 7.250 7.890 -0.640 1
1 151 . 5 1 1 A 20 20 TRP HA H 21 4.608 4.493 0.115 1
1 160 . 5 1 1 A 21 21 HIS H H 22 8.005 8.219 -0.214 1
1 161 . 5 1 1 A 21 21 HIS HA H 22 3.887 4.277 -0.390 1
1 166 . 5 1 1 A 22 22 ASP H H 23 8.843 8.974 -0.131 1
1 167 . 5 1 1 A 22 22 ASP HA H 23 4.364 4.245 0.119 1
1 170 . 5 1 1 A 23 23 ARG H H 24 7.746 7.753 -0.007 1
1 171 . 5 1 1 A 23 23 ARG HA H 24 4.203 4.076 0.127 1
1 179 . 5 1 1 A 24 24 LEU H H 25 8.474 8.559 -0.085 1
1 180 . 5 1 1 A 24 24 LEU HA H 25 3.940 3.912 0.028 1
1 190 . 5 1 1 A 25 25 MET H H 26 8.044 7.914 0.130 1
1 191 . 5 1 1 A 25 25 MET HA H 26 4.205 4.217 -0.012 1
1 199 . 5 1 1 A 26 26 GLU H H 27 7.709 7.939 -0.230 1
1 200 . 5 1 1 A 26 26 GLU HA H 27 4.139 4.102 0.037 1
1 205 . 5 1 1 A 27 27 ILE H H 28 7.828 7.844 -0.016 1
1 206 . 5 1 1 A 27 27 ILE HA H 28 3.666 3.764 -0.098 1
1 216 . 5 1 1 A 28 28 ALA H H 29 8.459 8.303 0.156 1
1 217 . 5 1 1 A 28 28 ALA HA H 29 3.610 4.049 -0.439 1
1 221 . 5 1 1 A 29 29 LYS H H 30 8.015 7.547 0.468 1
1 222 . 5 1 1 A 29 29 LYS HA H 30 4.144 4.138 0.006 1
1 234 . 5 1 1 A 30 30 GLU H H 31 8.096 7.709 0.387 1
1 235 . 5 1 1 A 30 30 GLU HA H 31 4.064 4.058 0.006 1
1 240 . 5 1 1 A 31 31 LYS H H 32 8.033 7.511 0.522 1
1 241 . 5 1 1 A 31 31 LYS HA H 32 4.313 4.364 -0.051 1
1 248 . 5 1 1 A 32 32 ASN H H 33 7.959 8.004 -0.045 1
1 249 . 5 1 1 A 32 32 ASN HA H 33 4.419 4.245 0.174 1
1 254 . 5 1 1 A 33 33 LEU H H 34 8.538 7.843 0.695 1
1 255 . 5 1 1 A 33 33 LEU HA H 34 4.925 4.895 0.030 1
1 265 . 5 1 1 A 34 34 THR H H 35 8.656 8.180 0.476 1
1 266 . 5 1 1 A 34 34 THR HA H 35 4.608 4.871 -0.263 1
1 271 . 5 1 1 A 35 35 LEU H H 36 9.000 8.414 0.586 1
1 272 . 5 1 1 A 35 35 LEU HA H 36 3.908 3.910 -0.002 1
1 282 . 5 1 1 A 36 36 SER H H 37 8.656 7.977 0.679 1
1 283 . 5 1 1 A 36 36 SER HA H 37 4.059 4.023 0.036 1
1 286 . 5 1 1 A 37 37 ASP H H 38 7.984 8.021 -0.037 1
1 287 . 5 1 1 A 37 37 ASP HA H 38 4.355 4.329 0.026 1
1 290 . 5 1 1 A 38 38 VAL H H 39 8.015 8.525 -0.510 1
1 291 . 5 1 1 A 38 38 VAL HA H 39 3.576 3.561 0.015 1
1 299 . 5 1 1 A 39 39 CYS H H 40 8.260 8.290 -0.030 1
1 300 . 5 1 1 A 39 39 CYS HA H 40 3.777 4.109 -0.332 1
1 303 . 5 1 1 A 40 40 ARG H H 41 8.206 7.815 0.391 1
1 304 . 5 1 1 A 40 40 ARG HA H 41 4.008 4.097 -0.089 1
1 312 . 5 1 1 A 41 41 LEU H H 42 7.822 8.440 -0.618 1
1 313 . 5 1 1 A 41 41 LEU HA H 42 4.036 4.150 -0.114 1
1 323 . 5 1 1 A 42 42 ALA H H 43 7.741 7.842 -0.101 1
1 324 . 5 1 1 A 42 42 ALA HA H 43 3.699 4.041 -0.342 1
1 328 . 5 1 1 A 43 43 ILE H H 44 8.043 7.778 0.265 1
1 329 . 5 1 1 A 43 43 ILE HA H 44 3.423 3.882 -0.459 1
1 339 . 5 1 1 A 44 44 LYS H H 45 8.432 7.994 0.438 1
1 340 . 5 1 1 A 44 44 LYS HA H 45 3.014 3.989 -0.975 1
1 349 . 5 1 1 A 45 45 GLU H H 46 8.370 7.753 0.617 1
1 350 . 5 1 1 A 45 45 GLU HA H 46 4.002 4.060 -0.058 1
1 355 . 5 1 1 A 46 46 TYR H H 47 7.703 8.247 -0.544 1
1 356 . 5 1 1 A 46 46 TYR HA H 47 4.308 4.125 0.183 1
1 363 . 5 1 1 A 47 47 LEU H H 48 8.432 8.509 -0.077 1
1 364 . 5 1 1 A 47 47 LEU HA H 48 3.709 3.619 0.090 1
1 374 . 5 1 1 A 48 48 ASP H H 49 8.530 7.898 0.632 1
1 375 . 5 1 1 A 48 48 ASP HA H 49 4.255 4.389 -0.134 1
1 378 . 5 1 1 A 49 49 ASN H H 50 7.934 7.842 0.092 1
1 379 . 5 1 1 A 49 49 ASN HA H 50 4.482 4.420 0.062 1
1 384 . 5 1 1 A 50 50 HIS H H 51 7.830 6.810 1.020 1
1 385 . 5 1 1 A 50 50 HIS HA H 51 4.424 4.533 -0.109 1
1 390 . 5 1 1 A 51 51 ASP H H 52 8.052 7.649 0.403 1
1 391 . 5 1 1 A 51 51 ASP HA H 52 4.680 4.904 -0.224 1
1 394 . 5 1 1 A 52 52 LYS H H 53 8.069 8.293 -0.224 1
1 395 . 5 1 1 A 52 52 LYS HA H 53 4.220 4.136 0.084 1
1 404 . 5 1 1 A 53 53 GLN H H 54 8.246 7.841 0.405 1
1 405 . 5 1 1 A 53 53 GLN HA H 54 4.257 4.579 -0.322 1
1 412 . 5 1 1 A 54 54 LYS H H 55 8.200 8.490 -0.290 1
1 413 . 5 1 1 A 54 54 LYS HA H 55 4.266 4.713 -0.447 1
1 3 . 6 1 1 A 2 2 ARG H H 3 8.676 8.737 -0.061 1
1 4 . 6 1 1 A 2 2 ARG HA H 3 4.608 3.858 0.750 1
1 12 . 6 1 1 A 3 3 PRO HA H 4 4.419 4.658 -0.239 1
1 19 . 6 1 1 A 4 4 TYR H H 5 8.180 8.512 -0.332 1
1 20 . 6 1 1 A 4 4 TYR HA H 5 4.449 4.626 -0.177 1
1 27 . 6 1 1 A 5 5 LYS H H 6 8.129 9.029 -0.900 1
1 28 . 6 1 1 A 5 5 LYS HA H 6 4.135 3.898 0.237 1
1 37 . 6 1 1 A 6 6 LEU H H 7 7.959 7.820 0.139 1
1 38 . 6 1 1 A 6 6 LEU HA H 7 4.200 4.551 -0.351 1
1 48 . 6 1 1 A 7 7 LEU H H 8 8.116 7.968 0.148 1
1 49 . 6 1 1 A 7 7 LEU HA H 8 4.177 4.339 -0.162 1
1 59 . 6 1 1 A 8 8 ASN H H 9 8.390 7.922 0.468 1
1 60 . 6 1 1 A 8 8 ASN HA H 9 4.562 4.322 0.240 1
1 65 . 6 1 1 A 9 9 GLY H H 10 7.889 7.845 0.044 1
1 66 . 6 1 1 A 9 9 GLY HA2 H 10 3.608 4.168 -0.560 1
1 67 . 6 1 1 A 9 9 GLY HA3 H 10 4.077 4.170 -0.093 1
1 68 . 6 1 1 A 10 10 ILE H H 11 8.883 9.222 -0.339 1
1 69 . 6 1 1 A 10 10 ILE HA H 11 4.404 4.787 -0.383 1
1 79 . 6 1 1 A 11 11 LYS H H 12 8.432 8.709 -0.277 1
1 80 . 6 1 1 A 11 11 LYS HA H 12 3.920 5.075 -1.155 1
1 87 . 6 1 1 A 12 12 LEU H H 13 8.896 8.983 -0.087 1
1 88 . 6 1 1 A 12 12 LEU HA H 13 4.500 5.284 -0.784 1
1 98 . 6 1 1 A 13 13 GLY H H 14 8.545 8.632 -0.087 1
1 99 . 6 1 1 A 13 13 GLY HA2 H 14 3.323 4.300 -0.977 1
1 100 . 6 1 1 A 13 13 GLY HA3 H 14 4.918 4.313 0.605 1
1 101 . 6 1 1 A 14 14 VAL H H 15 8.419 9.140 -0.721 1
1 102 . 6 1 1 A 14 14 VAL HA H 15 4.369 5.003 -0.634 1
1 110 . 6 1 1 A 15 15 TYR H H 16 8.680 8.818 -0.138 1
1 111 . 6 1 1 A 15 15 TYR HA H 16 4.963 5.370 -0.407 1
1 118 . 6 1 1 A 16 16 ILE H H 17 8.794 8.398 0.396 1
1 119 . 6 1 1 A 16 16 ILE HA H 17 4.670 4.440 0.230 1
1 129 . 6 1 1 A 17 17 PRO HA H 18 4.356 4.284 0.072 1
1 136 . 6 1 1 A 18 18 GLN H H 19 9.107 8.937 0.170 1
1 137 . 6 1 1 A 18 18 GLN HA H 19 3.772 3.986 -0.214 1
1 144 . 6 1 1 A 19 19 GLU H H 20 9.483 8.124 1.359 1
1 145 . 6 1 1 A 19 19 GLU HA H 20 4.244 4.078 0.166 1
1 150 . 6 1 1 A 20 20 TRP H H 21 7.250 8.193 -0.943 1
1 151 . 6 1 1 A 20 20 TRP HA H 21 4.608 4.447 0.161 1
1 160 . 6 1 1 A 21 21 HIS H H 22 8.005 8.469 -0.464 1
1 161 . 6 1 1 A 21 21 HIS HA H 22 3.887 4.337 -0.450 1
1 166 . 6 1 1 A 22 22 ASP H H 23 8.843 8.912 -0.069 1
1 167 . 6 1 1 A 22 22 ASP HA H 23 4.364 4.229 0.135 1
1 170 . 6 1 1 A 23 23 ARG H H 24 7.746 7.724 0.022 1
1 171 . 6 1 1 A 23 23 ARG HA H 24 4.203 4.091 0.112 1
1 179 . 6 1 1 A 24 24 LEU H H 25 8.474 8.535 -0.061 1
1 180 . 6 1 1 A 24 24 LEU HA H 25 3.940 3.986 -0.046 1
1 190 . 6 1 1 A 25 25 MET H H 26 8.044 8.373 -0.329 1
1 191 . 6 1 1 A 25 25 MET HA H 26 4.205 4.045 0.160 1
1 199 . 6 1 1 A 26 26 GLU H H 27 7.709 7.911 -0.202 1
1 200 . 6 1 1 A 26 26 GLU HA H 27 4.139 4.102 0.037 1
1 205 . 6 1 1 A 27 27 ILE H H 28 7.828 7.764 0.064 1
1 206 . 6 1 1 A 27 27 ILE HA H 28 3.666 3.748 -0.082 1
1 216 . 6 1 1 A 28 28 ALA H H 29 8.459 8.472 -0.013 1
1 217 . 6 1 1 A 28 28 ALA HA H 29 3.610 3.907 -0.297 1
1 221 . 6 1 1 A 29 29 LYS H H 30 8.015 7.532 0.483 1
1 222 . 6 1 1 A 29 29 LYS HA H 30 4.144 4.126 0.018 1
1 234 . 6 1 1 A 30 30 GLU H H 31 8.096 7.865 0.231 1
1 235 . 6 1 1 A 30 30 GLU HA H 31 4.064 4.038 0.026 1
1 240 . 6 1 1 A 31 31 LYS H H 32 8.033 7.715 0.318 1
1 241 . 6 1 1 A 31 31 LYS HA H 32 4.313 4.361 -0.048 1
1 248 . 6 1 1 A 32 32 ASN H H 33 7.959 8.186 -0.227 1
1 249 . 6 1 1 A 32 32 ASN HA H 33 4.419 4.317 0.102 1
1 254 . 6 1 1 A 33 33 LEU H H 34 8.538 7.770 0.768 1
1 255 . 6 1 1 A 33 33 LEU HA H 34 4.925 4.883 0.042 1
1 265 . 6 1 1 A 34 34 THR H H 35 8.656 8.774 -0.118 1
1 266 . 6 1 1 A 34 34 THR HA H 35 4.608 4.674 -0.066 1
1 271 . 6 1 1 A 35 35 LEU H H 36 9.000 8.860 0.140 1
1 272 . 6 1 1 A 35 35 LEU HA H 36 3.908 3.860 0.048 1
1 282 . 6 1 1 A 36 36 SER H H 37 8.656 8.348 0.308 1
1 283 . 6 1 1 A 36 36 SER HA H 37 4.059 4.206 -0.147 1
1 286 . 6 1 1 A 37 37 ASP H H 38 7.984 8.084 -0.100 1
1 287 . 6 1 1 A 37 37 ASP HA H 38 4.355 4.348 0.007 1
1 290 . 6 1 1 A 38 38 VAL H H 39 8.015 8.267 -0.252 1
1 291 . 6 1 1 A 38 38 VAL HA H 39 3.576 3.534 0.042 1
1 299 . 6 1 1 A 39 39 CYS H H 40 8.260 8.422 -0.162 1
1 300 . 6 1 1 A 39 39 CYS HA H 40 3.777 4.094 -0.317 1
1 303 . 6 1 1 A 40 40 ARG H H 41 8.206 8.151 0.055 1
1 304 . 6 1 1 A 40 40 ARG HA H 41 4.008 4.080 -0.072 1
1 312 . 6 1 1 A 41 41 LEU H H 42 7.822 8.530 -0.708 1
1 313 . 6 1 1 A 41 41 LEU HA H 42 4.036 4.152 -0.116 1
1 323 . 6 1 1 A 42 42 ALA H H 43 7.741 7.897 -0.156 1
1 324 . 6 1 1 A 42 42 ALA HA H 43 3.699 4.069 -0.370 1
1 328 . 6 1 1 A 43 43 ILE H H 44 8.043 7.607 0.436 1
1 329 . 6 1 1 A 43 43 ILE HA H 44 3.423 3.690 -0.267 1
1 339 . 6 1 1 A 44 44 LYS H H 45 8.432 7.944 0.488 1
1 340 . 6 1 1 A 44 44 LYS HA H 45 3.014 3.969 -0.955 1
1 349 . 6 1 1 A 45 45 GLU H H 46 8.370 7.813 0.557 1
1 350 . 6 1 1 A 45 45 GLU HA H 46 4.002 4.080 -0.078 1
1 355 . 6 1 1 A 46 46 TYR H H 47 7.703 8.208 -0.505 1
1 356 . 6 1 1 A 46 46 TYR HA H 47 4.308 4.118 0.190 1
1 363 . 6 1 1 A 47 47 LEU H H 48 8.432 8.738 -0.306 1
1 364 . 6 1 1 A 47 47 LEU HA H 48 3.709 3.847 -0.138 1
1 374 . 6 1 1 A 48 48 ASP H H 49 8.530 8.372 0.158 1
1 375 . 6 1 1 A 48 48 ASP HA H 49 4.255 4.391 -0.136 1
1 378 . 6 1 1 A 49 49 ASN H H 50 7.934 8.156 -0.222 1
1 379 . 6 1 1 A 49 49 ASN HA H 50 4.482 4.494 -0.012 1
1 384 . 6 1 1 A 50 50 HIS H H 51 7.830 7.480 0.350 1
1 385 . 6 1 1 A 50 50 HIS HA H 51 4.424 4.370 0.054 1
1 390 . 6 1 1 A 51 51 ASP H H 52 8.052 8.475 -0.423 1
1 391 . 6 1 1 A 51 51 ASP HA H 52 4.680 4.601 0.079 1
1 394 . 6 1 1 A 52 52 LYS H H 53 8.069 7.739 0.330 1
1 395 . 6 1 1 A 52 52 LYS HA H 53 4.220 4.219 0.001 1
1 404 . 6 1 1 A 53 53 GLN H H 54 8.246 7.672 0.574 1
1 405 . 6 1 1 A 53 53 GLN HA H 54 4.257 4.456 -0.199 1
1 412 . 6 1 1 A 54 54 LYS H H 55 8.200 8.694 -0.494 1
1 413 . 6 1 1 A 54 54 LYS HA H 55 4.266 4.519 -0.253 1
1 3 . 7 1 1 A 2 2 ARG H H 3 8.676 8.407 0.269 1
1 4 . 7 1 1 A 2 2 ARG HA H 3 4.608 5.050 -0.442 1
1 12 . 7 1 1 A 3 3 PRO HA H 4 4.419 4.453 -0.034 1
1 19 . 7 1 1 A 4 4 TYR H H 5 8.180 8.178 0.002 1
1 20 . 7 1 1 A 4 4 TYR HA H 5 4.449 4.127 0.322 1
1 27 . 7 1 1 A 5 5 LYS H H 6 8.129 8.736 -0.607 1
1 28 . 7 1 1 A 5 5 LYS HA H 6 4.135 4.310 -0.175 1
1 37 . 7 1 1 A 6 6 LEU H H 7 7.959 7.687 0.272 1
1 38 . 7 1 1 A 6 6 LEU HA H 7 4.200 4.490 -0.290 1
1 48 . 7 1 1 A 7 7 LEU H H 8 8.116 7.567 0.549 1
1 49 . 7 1 1 A 7 7 LEU HA H 8 4.177 4.709 -0.532 1
1 59 . 7 1 1 A 8 8 ASN H H 9 8.390 8.884 -0.494 1
1 60 . 7 1 1 A 8 8 ASN HA H 9 4.562 4.849 -0.287 1
1 65 . 7 1 1 A 9 9 GLY H H 10 7.889 7.441 0.448 1
1 66 . 7 1 1 A 9 9 GLY HA2 H 10 3.608 4.157 -0.549 1
1 67 . 7 1 1 A 9 9 GLY HA3 H 10 4.077 4.159 -0.082 1
1 68 . 7 1 1 A 10 10 ILE H H 11 8.883 9.059 -0.176 1
1 69 . 7 1 1 A 10 10 ILE HA H 11 4.404 4.932 -0.528 1
1 79 . 7 1 1 A 11 11 LYS H H 12 8.432 8.752 -0.320 1
1 80 . 7 1 1 A 11 11 LYS HA H 12 3.920 5.072 -1.152 1
1 87 . 7 1 1 A 12 12 LEU H H 13 8.896 8.848 0.048 1
1 88 . 7 1 1 A 12 12 LEU HA H 13 4.500 5.141 -0.641 1
1 98 . 7 1 1 A 13 13 GLY H H 14 8.545 8.472 0.073 1
1 99 . 7 1 1 A 13 13 GLY HA2 H 14 3.323 4.194 -0.871 1
1 100 . 7 1 1 A 13 13 GLY HA3 H 14 4.918 4.234 0.684 1
1 101 . 7 1 1 A 14 14 VAL H H 15 8.419 9.191 -0.772 1
1 102 . 7 1 1 A 14 14 VAL HA H 15 4.369 4.750 -0.381 1
1 110 . 7 1 1 A 15 15 TYR H H 16 8.680 8.854 -0.174 1
1 111 . 7 1 1 A 15 15 TYR HA H 16 4.963 5.184 -0.221 1
1 118 . 7 1 1 A 16 16 ILE H H 17 8.794 8.724 0.070 1
1 119 . 7 1 1 A 16 16 ILE HA H 17 4.670 4.602 0.068 1
1 129 . 7 1 1 A 17 17 PRO HA H 18 4.356 4.460 -0.104 1
1 136 . 7 1 1 A 18 18 GLN H H 19 9.107 8.660 0.447 1
1 137 . 7 1 1 A 18 18 GLN HA H 19 3.772 4.054 -0.282 1
1 144 . 7 1 1 A 19 19 GLU H H 20 9.483 8.073 1.410 1
1 145 . 7 1 1 A 19 19 GLU HA H 20 4.244 4.112 0.132 1
1 150 . 7 1 1 A 20 20 TRP H H 21 7.250 8.074 -0.824 1
1 151 . 7 1 1 A 20 20 TRP HA H 21 4.608 4.493 0.115 1
1 160 . 7 1 1 A 21 21 HIS H H 22 8.005 8.479 -0.474 1
1 161 . 7 1 1 A 21 21 HIS HA H 22 3.887 4.330 -0.443 1
1 166 . 7 1 1 A 22 22 ASP H H 23 8.843 9.036 -0.193 1
1 167 . 7 1 1 A 22 22 ASP HA H 23 4.364 4.202 0.162 1
1 170 . 7 1 1 A 23 23 ARG H H 24 7.746 7.662 0.084 1
1 171 . 7 1 1 A 23 23 ARG HA H 24 4.203 4.094 0.109 1
1 179 . 7 1 1 A 24 24 LEU H H 25 8.474 8.530 -0.056 1
1 180 . 7 1 1 A 24 24 LEU HA H 25 3.940 3.948 -0.008 1
1 190 . 7 1 1 A 25 25 MET H H 26 8.044 8.292 -0.248 1
1 191 . 7 1 1 A 25 25 MET HA H 26 4.205 3.997 0.208 1
1 199 . 7 1 1 A 26 26 GLU H H 27 7.709 8.131 -0.422 1
1 200 . 7 1 1 A 26 26 GLU HA H 27 4.139 4.036 0.103 1
1 205 . 7 1 1 A 27 27 ILE H H 28 7.828 7.848 -0.020 1
1 206 . 7 1 1 A 27 27 ILE HA H 28 3.666 3.714 -0.048 1
1 216 . 7 1 1 A 28 28 ALA H H 29 8.459 8.583 -0.124 1
1 217 . 7 1 1 A 28 28 ALA HA H 29 3.610 3.916 -0.306 1
1 221 . 7 1 1 A 29 29 LYS H H 30 8.015 8.095 -0.080 1
1 222 . 7 1 1 A 29 29 LYS HA H 30 4.144 4.104 0.040 1
1 234 . 7 1 1 A 30 30 GLU H H 31 8.096 7.899 0.197 1
1 235 . 7 1 1 A 30 30 GLU HA H 31 4.064 4.068 -0.004 1
1 240 . 7 1 1 A 31 31 LYS H H 32 8.033 7.371 0.662 1
1 241 . 7 1 1 A 31 31 LYS HA H 32 4.313 4.369 -0.056 1
1 248 . 7 1 1 A 32 32 ASN H H 33 7.959 7.957 0.002 1
1 249 . 7 1 1 A 32 32 ASN HA H 33 4.419 4.317 0.102 1
1 254 . 7 1 1 A 33 33 LEU H H 34 8.538 7.884 0.654 1
1 255 . 7 1 1 A 33 33 LEU HA H 34 4.925 4.896 0.029 1
1 265 . 7 1 1 A 34 34 THR H H 35 8.656 8.551 0.105 1
1 266 . 7 1 1 A 34 34 THR HA H 35 4.608 4.842 -0.234 1
1 271 . 7 1 1 A 35 35 LEU H H 36 9.000 8.825 0.175 1
1 272 . 7 1 1 A 35 35 LEU HA H 36 3.908 3.882 0.026 1
1 282 . 7 1 1 A 36 36 SER H H 37 8.656 8.126 0.530 1
1 283 . 7 1 1 A 36 36 SER HA H 37 4.059 4.084 -0.025 1
1 286 . 7 1 1 A 37 37 ASP H H 38 7.984 7.948 0.036 1
1 287 . 7 1 1 A 37 37 ASP HA H 38 4.355 4.332 0.023 1
1 290 . 7 1 1 A 38 38 VAL H H 39 8.015 8.076 -0.061 1
1 291 . 7 1 1 A 38 38 VAL HA H 39 3.576 3.583 -0.007 1
1 299 . 7 1 1 A 39 39 CYS H H 40 8.260 8.356 -0.096 1
1 300 . 7 1 1 A 39 39 CYS HA H 40 3.777 4.119 -0.342 1
1 303 . 7 1 1 A 40 40 ARG H H 41 8.206 8.065 0.141 1
1 304 . 7 1 1 A 40 40 ARG HA H 41 4.008 4.080 -0.072 1
1 312 . 7 1 1 A 41 41 LEU H H 42 7.822 8.564 -0.742 1
1 313 . 7 1 1 A 41 41 LEU HA H 42 4.036 4.172 -0.136 1
1 323 . 7 1 1 A 42 42 ALA H H 43 7.741 7.790 -0.049 1
1 324 . 7 1 1 A 42 42 ALA HA H 43 3.699 4.073 -0.374 1
1 328 . 7 1 1 A 43 43 ILE H H 44 8.043 7.601 0.442 1
1 329 . 7 1 1 A 43 43 ILE HA H 44 3.423 3.861 -0.438 1
1 339 . 7 1 1 A 44 44 LYS H H 45 8.432 7.893 0.539 1
1 340 . 7 1 1 A 44 44 LYS HA H 45 3.014 4.042 -1.028 1
1 349 . 7 1 1 A 45 45 GLU H H 46 8.370 7.770 0.600 1
1 350 . 7 1 1 A 45 45 GLU HA H 46 4.002 4.100 -0.098 1
1 355 . 7 1 1 A 46 46 TYR H H 47 7.703 8.260 -0.557 1
1 356 . 7 1 1 A 46 46 TYR HA H 47 4.308 4.331 -0.023 1
1 363 . 7 1 1 A 47 47 LEU H H 48 8.432 9.057 -0.625 1
1 364 . 7 1 1 A 47 47 LEU HA H 48 3.709 3.922 -0.213 1
1 374 . 7 1 1 A 48 48 ASP H H 49 8.530 8.314 0.216 1
1 375 . 7 1 1 A 48 48 ASP HA H 49 4.255 4.256 -0.001 1
1 378 . 7 1 1 A 49 49 ASN H H 50 7.934 7.973 -0.039 1
1 379 . 7 1 1 A 49 49 ASN HA H 50 4.482 4.418 0.064 1
1 384 . 7 1 1 A 50 50 HIS H H 51 7.830 7.654 0.176 1
1 385 . 7 1 1 A 50 50 HIS HA H 51 4.424 4.303 0.121 1
1 390 . 7 1 1 A 51 51 ASP H H 52 8.052 7.933 0.119 1
1 391 . 7 1 1 A 51 51 ASP HA H 52 4.680 4.577 0.103 1
1 394 . 7 1 1 A 52 52 LYS H H 53 8.069 7.741 0.328 1
1 395 . 7 1 1 A 52 52 LYS HA H 53 4.220 3.935 0.285 1
1 404 . 7 1 1 A 53 53 GLN H H 54 8.246 8.049 0.197 1
1 405 . 7 1 1 A 53 53 GLN HA H 54 4.257 4.514 -0.257 1
1 412 . 7 1 1 A 54 54 LYS H H 55 8.200 8.655 -0.455 1
1 413 . 7 1 1 A 54 54 LYS HA H 55 4.266 4.525 -0.259 1
1 3 . 8 1 1 A 2 2 ARG H H 3 8.676 8.600 0.076 1
1 4 . 8 1 1 A 2 2 ARG HA H 3 4.608 4.831 -0.223 1
1 12 . 8 1 1 A 3 3 PRO HA H 4 4.419 4.186 0.233 1
1 19 . 8 1 1 A 4 4 TYR H H 5 8.180 8.029 0.151 1
1 20 . 8 1 1 A 4 4 TYR HA H 5 4.449 4.726 -0.277 1
1 27 . 8 1 1 A 5 5 LYS H H 6 8.129 7.978 0.151 1
1 28 . 8 1 1 A 5 5 LYS HA H 6 4.135 4.523 -0.388 1
1 37 . 8 1 1 A 6 6 LEU H H 7 7.959 8.307 -0.348 1
1 38 . 8 1 1 A 6 6 LEU HA H 7 4.200 4.325 -0.125 1
1 48 . 8 1 1 A 7 7 LEU H H 8 8.116 8.607 -0.491 1
1 49 . 8 1 1 A 7 7 LEU HA H 8 4.177 3.992 0.185 1
1 59 . 8 1 1 A 8 8 ASN H H 9 8.390 8.457 -0.067 1
1 60 . 8 1 1 A 8 8 ASN HA H 9 4.562 4.638 -0.076 1
1 65 . 8 1 1 A 9 9 GLY H H 10 7.889 7.473 0.416 1
1 66 . 8 1 1 A 9 9 GLY HA2 H 10 3.608 4.091 -0.483 1
1 67 . 8 1 1 A 9 9 GLY HA3 H 10 4.077 4.093 -0.016 1
1 68 . 8 1 1 A 10 10 ILE H H 11 8.883 8.894 -0.011 1
1 69 . 8 1 1 A 10 10 ILE HA H 11 4.404 4.962 -0.558 1
1 79 . 8 1 1 A 11 11 LYS H H 12 8.432 8.769 -0.337 1
1 80 . 8 1 1 A 11 11 LYS HA H 12 3.920 5.062 -1.142 1
1 87 . 8 1 1 A 12 12 LEU H H 13 8.896 8.946 -0.050 1
1 88 . 8 1 1 A 12 12 LEU HA H 13 4.500 5.063 -0.563 1
1 98 . 8 1 1 A 13 13 GLY H H 14 8.545 9.169 -0.624 1
1 99 . 8 1 1 A 13 13 GLY HA2 H 14 3.323 4.174 -0.851 1
1 100 . 8 1 1 A 13 13 GLY HA3 H 14 4.918 4.175 0.743 1
1 101 . 8 1 1 A 14 14 VAL H H 15 8.419 9.019 -0.600 1
1 102 . 8 1 1 A 14 14 VAL HA H 15 4.369 4.773 -0.404 1
1 110 . 8 1 1 A 15 15 TYR H H 16 8.680 8.964 -0.284 1
1 111 . 8 1 1 A 15 15 TYR HA H 16 4.963 5.353 -0.390 1
1 118 . 8 1 1 A 16 16 ILE H H 17 8.794 8.876 -0.082 1
1 119 . 8 1 1 A 16 16 ILE HA H 17 4.670 4.926 -0.256 1
1 129 . 8 1 1 A 17 17 PRO HA H 18 4.356 4.513 -0.157 1
1 136 . 8 1 1 A 18 18 GLN H H 19 9.107 8.564 0.543 1
1 137 . 8 1 1 A 18 18 GLN HA H 19 3.772 4.003 -0.231 1
1 144 . 8 1 1 A 19 19 GLU H H 20 9.483 8.215 1.268 1
1 145 . 8 1 1 A 19 19 GLU HA H 20 4.244 4.093 0.151 1
1 150 . 8 1 1 A 20 20 TRP H H 21 7.250 7.830 -0.580 1
1 151 . 8 1 1 A 20 20 TRP HA H 21 4.608 4.435 0.173 1
1 160 . 8 1 1 A 21 21 HIS H H 22 8.005 8.211 -0.206 1
1 161 . 8 1 1 A 21 21 HIS HA H 22 3.887 4.218 -0.331 1
1 166 . 8 1 1 A 22 22 ASP H H 23 8.843 8.752 0.091 1
1 167 . 8 1 1 A 22 22 ASP HA H 23 4.364 4.231 0.133 1
1 170 . 8 1 1 A 23 23 ARG H H 24 7.746 7.744 0.002 1
1 171 . 8 1 1 A 23 23 ARG HA H 24 4.203 4.107 0.096 1
1 179 . 8 1 1 A 24 24 LEU H H 25 8.474 8.716 -0.242 1
1 180 . 8 1 1 A 24 24 LEU HA H 25 3.940 3.962 -0.022 1
1 190 . 8 1 1 A 25 25 MET H H 26 8.044 8.227 -0.183 1
1 191 . 8 1 1 A 25 25 MET HA H 26 4.205 4.221 -0.016 1
1 199 . 8 1 1 A 26 26 GLU H H 27 7.709 7.934 -0.225 1
1 200 . 8 1 1 A 26 26 GLU HA H 27 4.139 4.110 0.029 1
1 205 . 8 1 1 A 27 27 ILE H H 28 7.828 7.828 0.000 1
1 206 . 8 1 1 A 27 27 ILE HA H 28 3.666 3.796 -0.130 1
1 216 . 8 1 1 A 28 28 ALA H H 29 8.459 8.308 0.151 1
1 217 . 8 1 1 A 28 28 ALA HA H 29 3.610 3.981 -0.371 1
1 221 . 8 1 1 A 29 29 LYS H H 30 8.015 7.514 0.501 1
1 222 . 8 1 1 A 29 29 LYS HA H 30 4.144 4.137 0.007 1
1 234 . 8 1 1 A 30 30 GLU H H 31 8.096 7.802 0.294 1
1 235 . 8 1 1 A 30 30 GLU HA H 31 4.064 4.098 -0.034 1
1 240 . 8 1 1 A 31 31 LYS H H 32 8.033 7.801 0.232 1
1 241 . 8 1 1 A 31 31 LYS HA H 32 4.313 4.360 -0.047 1
1 248 . 8 1 1 A 32 32 ASN H H 33 7.959 7.676 0.283 1
1 249 . 8 1 1 A 32 32 ASN HA H 33 4.419 4.248 0.171 1
1 254 . 8 1 1 A 33 33 LEU H H 34 8.538 7.439 1.099 1
1 255 . 8 1 1 A 33 33 LEU HA H 34 4.925 4.882 0.043 1
1 265 . 8 1 1 A 34 34 THR H H 35 8.656 8.041 0.615 1
1 266 . 8 1 1 A 34 34 THR HA H 35 4.608 4.848 -0.240 1
1 271 . 8 1 1 A 35 35 LEU H H 36 9.000 8.919 0.081 1
1 272 . 8 1 1 A 35 35 LEU HA H 36 3.908 3.823 0.085 1
1 282 . 8 1 1 A 36 36 SER H H 37 8.656 7.854 0.802 1
1 283 . 8 1 1 A 36 36 SER HA H 37 4.059 3.986 0.073 1
1 286 . 8 1 1 A 37 37 ASP H H 38 7.984 7.915 0.069 1
1 287 . 8 1 1 A 37 37 ASP HA H 38 4.355 4.335 0.020 1
1 290 . 8 1 1 A 38 38 VAL H H 39 8.015 8.144 -0.129 1
1 291 . 8 1 1 A 38 38 VAL HA H 39 3.576 3.514 0.062 1
1 299 . 8 1 1 A 39 39 CYS H H 40 8.260 8.003 0.257 1
1 300 . 8 1 1 A 39 39 CYS HA H 40 3.777 4.010 -0.233 1
1 303 . 8 1 1 A 40 40 ARG H H 41 8.206 7.710 0.496 1
1 304 . 8 1 1 A 40 40 ARG HA H 41 4.008 4.069 -0.061 1
1 312 . 8 1 1 A 41 41 LEU H H 42 7.822 8.269 -0.447 1
1 313 . 8 1 1 A 41 41 LEU HA H 42 4.036 4.096 -0.060 1
1 323 . 8 1 1 A 42 42 ALA H H 43 7.741 7.904 -0.163 1
1 324 . 8 1 1 A 42 42 ALA HA H 43 3.699 4.101 -0.402 1
1 328 . 8 1 1 A 43 43 ILE H H 44 8.043 7.799 0.244 1
1 329 . 8 1 1 A 43 43 ILE HA H 44 3.423 3.625 -0.202 1
1 339 . 8 1 1 A 44 44 LYS H H 45 8.432 7.800 0.632 1
1 340 . 8 1 1 A 44 44 LYS HA H 45 3.014 3.951 -0.937 1
1 349 . 8 1 1 A 45 45 GLU H H 46 8.370 7.655 0.715 1
1 350 . 8 1 1 A 45 45 GLU HA H 46 4.002 4.070 -0.068 1
1 355 . 8 1 1 A 46 46 TYR H H 47 7.703 8.368 -0.665 1
1 356 . 8 1 1 A 46 46 TYR HA H 47 4.308 4.302 0.006 1
1 363 . 8 1 1 A 47 47 LEU H H 48 8.432 8.754 -0.322 1
1 364 . 8 1 1 A 47 47 LEU HA H 48 3.709 3.916 -0.207 1
1 374 . 8 1 1 A 48 48 ASP H H 49 8.530 8.214 0.316 1
1 375 . 8 1 1 A 48 48 ASP HA H 49 4.255 4.381 -0.126 1
1 378 . 8 1 1 A 49 49 ASN H H 50 7.934 7.939 -0.005 1
1 379 . 8 1 1 A 49 49 ASN HA H 50 4.482 4.428 0.054 1
1 384 . 8 1 1 A 50 50 HIS H H 51 7.830 7.442 0.388 1
1 385 . 8 1 1 A 50 50 HIS HA H 51 4.424 4.553 -0.129 1
1 390 . 8 1 1 A 51 51 ASP H H 52 8.052 8.086 -0.034 1
1 391 . 8 1 1 A 51 51 ASP HA H 52 4.680 4.576 0.104 1
1 394 . 8 1 1 A 52 52 LYS H H 53 8.069 8.888 -0.819 1
1 395 . 8 1 1 A 52 52 LYS HA H 53 4.220 4.583 -0.363 1
1 404 . 8 1 1 A 53 53 GLN H H 54 8.246 8.357 -0.111 1
1 405 . 8 1 1 A 53 53 GLN HA H 54 4.257 4.679 -0.422 1
1 412 . 8 1 1 A 54 54 LYS H H 55 8.200 8.689 -0.489 1
1 413 . 8 1 1 A 54 54 LYS HA H 55 4.266 4.505 -0.239 1
1 3 . 9 1 1 A 2 2 ARG H H 3 8.676 8.336 0.340 1
1 4 . 9 1 1 A 2 2 ARG HA H 3 4.608 4.764 -0.156 1
1 12 . 9 1 1 A 3 3 PRO HA H 4 4.419 4.463 -0.044 1
1 19 . 9 1 1 A 4 4 TYR H H 5 8.180 8.635 -0.455 1
1 20 . 9 1 1 A 4 4 TYR HA H 5 4.449 4.479 -0.030 1
1 27 . 9 1 1 A 5 5 LYS H H 6 8.129 7.702 0.427 1
1 28 . 9 1 1 A 5 5 LYS HA H 6 4.135 4.565 -0.430 1
1 37 . 9 1 1 A 6 6 LEU H H 7 7.959 7.683 0.276 1
1 38 . 9 1 1 A 6 6 LEU HA H 7 4.200 3.940 0.260 1
1 48 . 9 1 1 A 7 7 LEU H H 8 8.116 7.723 0.393 1
1 49 . 9 1 1 A 7 7 LEU HA H 8 4.177 4.512 -0.335 1
1 59 . 9 1 1 A 8 8 ASN H H 9 8.390 8.843 -0.453 1
1 60 . 9 1 1 A 8 8 ASN HA H 9 4.562 4.828 -0.266 1
1 65 . 9 1 1 A 9 9 GLY H H 10 7.889 7.495 0.394 1
1 66 . 9 1 1 A 9 9 GLY HA2 H 10 3.608 4.093 -0.485 1
1 67 . 9 1 1 A 9 9 GLY HA3 H 10 4.077 4.098 -0.021 1
1 68 . 9 1 1 A 10 10 ILE H H 11 8.883 8.733 0.150 1
1 69 . 9 1 1 A 10 10 ILE HA H 11 4.404 4.903 -0.499 1
1 79 . 9 1 1 A 11 11 LYS H H 12 8.432 8.773 -0.341 1
1 80 . 9 1 1 A 11 11 LYS HA H 12 3.920 5.114 -1.194 1
1 87 . 9 1 1 A 12 12 LEU H H 13 8.896 8.927 -0.031 1
1 88 . 9 1 1 A 12 12 LEU HA H 13 4.500 5.231 -0.731 1
1 98 . 9 1 1 A 13 13 GLY H H 14 8.545 8.466 0.079 1
1 99 . 9 1 1 A 13 13 GLY HA2 H 14 3.323 4.366 -1.043 1
1 100 . 9 1 1 A 13 13 GLY HA3 H 14 4.918 4.382 0.536 1
1 101 . 9 1 1 A 14 14 VAL H H 15 8.419 8.968 -0.549 1
1 102 . 9 1 1 A 14 14 VAL HA H 15 4.369 5.086 -0.717 1
1 110 . 9 1 1 A 15 15 TYR H H 16 8.680 8.940 -0.260 1
1 111 . 9 1 1 A 15 15 TYR HA H 16 4.963 5.413 -0.450 1
1 118 . 9 1 1 A 16 16 ILE H H 17 8.794 8.520 0.274 1
1 119 . 9 1 1 A 16 16 ILE HA H 17 4.670 4.884 -0.214 1
1 129 . 9 1 1 A 17 17 PRO HA H 18 4.356 4.323 0.033 1
1 136 . 9 1 1 A 18 18 GLN H H 19 9.107 8.465 0.642 1
1 137 . 9 1 1 A 18 18 GLN HA H 19 3.772 3.979 -0.207 1
1 144 . 9 1 1 A 19 19 GLU H H 20 9.483 8.218 1.265 1
1 145 . 9 1 1 A 19 19 GLU HA H 20 4.244 4.051 0.193 1
1 150 . 9 1 1 A 20 20 TRP H H 21 7.250 7.582 -0.332 1
1 151 . 9 1 1 A 20 20 TRP HA H 21 4.608 4.459 0.149 1
1 160 . 9 1 1 A 21 21 HIS H H 22 8.005 8.113 -0.108 1
1 161 . 9 1 1 A 21 21 HIS HA H 22 3.887 4.306 -0.419 1
1 166 . 9 1 1 A 22 22 ASP H H 23 8.843 8.888 -0.045 1
1 167 . 9 1 1 A 22 22 ASP HA H 23 4.364 4.213 0.151 1
1 170 . 9 1 1 A 23 23 ARG H H 24 7.746 7.745 0.001 1
1 171 . 9 1 1 A 23 23 ARG HA H 24 4.203 4.150 0.053 1
1 179 . 9 1 1 A 24 24 LEU H H 25 8.474 8.435 0.039 1
1 180 . 9 1 1 A 24 24 LEU HA H 25 3.940 3.956 -0.016 1
1 190 . 9 1 1 A 25 25 MET H H 26 8.044 8.105 -0.061 1
1 191 . 9 1 1 A 25 25 MET HA H 26 4.205 4.009 0.196 1
1 199 . 9 1 1 A 26 26 GLU H H 27 7.709 7.925 -0.216 1
1 200 . 9 1 1 A 26 26 GLU HA H 27 4.139 4.098 0.041 1
1 205 . 9 1 1 A 27 27 ILE H H 28 7.828 8.135 -0.307 1
1 206 . 9 1 1 A 27 27 ILE HA H 28 3.666 3.753 -0.087 1
1 216 . 9 1 1 A 28 28 ALA H H 29 8.459 8.436 0.023 1
1 217 . 9 1 1 A 28 28 ALA HA H 29 3.610 3.996 -0.386 1
1 221 . 9 1 1 A 29 29 LYS H H 30 8.015 7.481 0.534 1
1 222 . 9 1 1 A 29 29 LYS HA H 30 4.144 4.116 0.028 1
1 234 . 9 1 1 A 30 30 GLU H H 31 8.096 7.755 0.341 1
1 235 . 9 1 1 A 30 30 GLU HA H 31 4.064 4.049 0.015 1
1 240 . 9 1 1 A 31 31 LYS H H 32 8.033 8.018 0.015 1
1 241 . 9 1 1 A 31 31 LYS HA H 32 4.313 4.346 -0.033 1
1 248 . 9 1 1 A 32 32 ASN H H 33 7.959 7.712 0.247 1
1 249 . 9 1 1 A 32 32 ASN HA H 33 4.419 4.387 0.032 1
1 254 . 9 1 1 A 33 33 LEU H H 34 8.538 7.344 1.194 1
1 255 . 9 1 1 A 33 33 LEU HA H 34 4.925 4.878 0.047 1
1 265 . 9 1 1 A 34 34 THR H H 35 8.656 8.276 0.380 1
1 266 . 9 1 1 A 34 34 THR HA H 35 4.608 4.838 -0.230 1
1 271 . 9 1 1 A 35 35 LEU H H 36 9.000 8.699 0.301 1
1 272 . 9 1 1 A 35 35 LEU HA H 36 3.908 3.942 -0.034 1
1 282 . 9 1 1 A 36 36 SER H H 37 8.656 7.880 0.776 1
1 283 . 9 1 1 A 36 36 SER HA H 37 4.059 4.018 0.041 1
1 286 . 9 1 1 A 37 37 ASP H H 38 7.984 7.911 0.073 1
1 287 . 9 1 1 A 37 37 ASP HA H 38 4.355 4.347 0.008 1
1 290 . 9 1 1 A 38 38 VAL H H 39 8.015 8.253 -0.238 1
1 291 . 9 1 1 A 38 38 VAL HA H 39 3.576 3.566 0.010 1
1 299 . 9 1 1 A 39 39 CYS H H 40 8.260 8.212 0.048 1
1 300 . 9 1 1 A 39 39 CYS HA H 40 3.777 4.019 -0.242 1
1 303 . 9 1 1 A 40 40 ARG H H 41 8.206 7.741 0.465 1
1 304 . 9 1 1 A 40 40 ARG HA H 41 4.008 4.019 -0.011 1
1 312 . 9 1 1 A 41 41 LEU H H 42 7.822 8.488 -0.666 1
1 313 . 9 1 1 A 41 41 LEU HA H 42 4.036 4.139 -0.103 1
1 323 . 9 1 1 A 42 42 ALA H H 43 7.741 7.801 -0.060 1
1 324 . 9 1 1 A 42 42 ALA HA H 43 3.699 4.068 -0.369 1
1 328 . 9 1 1 A 43 43 ILE H H 44 8.043 7.638 0.405 1
1 329 . 9 1 1 A 43 43 ILE HA H 44 3.423 3.722 -0.299 1
1 339 . 9 1 1 A 44 44 LYS H H 45 8.432 7.938 0.494 1
1 340 . 9 1 1 A 44 44 LYS HA H 45 3.014 3.966 -0.952 1
1 349 . 9 1 1 A 45 45 GLU H H 46 8.370 7.776 0.594 1
1 350 . 9 1 1 A 45 45 GLU HA H 46 4.002 4.095 -0.093 1
1 355 . 9 1 1 A 46 46 TYR H H 47 7.703 8.126 -0.423 1
1 356 . 9 1 1 A 46 46 TYR HA H 47 4.308 4.362 -0.054 1
1 363 . 9 1 1 A 47 47 LEU H H 48 8.432 8.948 -0.516 1
1 364 . 9 1 1 A 47 47 LEU HA H 48 3.709 3.964 -0.255 1
1 374 . 9 1 1 A 48 48 ASP H H 49 8.530 8.063 0.467 1
1 375 . 9 1 1 A 48 48 ASP HA H 49 4.255 4.277 -0.022 1
1 378 . 9 1 1 A 49 49 ASN H H 50 7.934 7.903 0.031 1
1 379 . 9 1 1 A 49 49 ASN HA H 50 4.482 4.552 -0.070 1
1 384 . 9 1 1 A 50 50 HIS H H 51 7.830 7.512 0.318 1
1 385 . 9 1 1 A 50 50 HIS HA H 51 4.424 4.518 -0.094 1
1 390 . 9 1 1 A 51 51 ASP H H 52 8.052 8.156 -0.104 1
1 391 . 9 1 1 A 51 51 ASP HA H 52 4.680 4.419 0.261 1
1 394 . 9 1 1 A 52 52 LYS H H 53 8.069 8.324 -0.255 1
1 395 . 9 1 1 A 52 52 LYS HA H 53 4.220 4.565 -0.345 1
1 404 . 9 1 1 A 53 53 GLN H H 54 8.246 7.842 0.404 1
1 405 . 9 1 1 A 53 53 GLN HA H 54 4.257 4.831 -0.574 1
1 412 . 9 1 1 A 54 54 LYS H H 55 8.200 8.329 -0.129 1
1 413 . 9 1 1 A 54 54 LYS HA H 55 4.266 4.664 -0.398 1
1 3 . 10 1 1 A 2 2 ARG H H 3 8.676 8.620 0.056 1
1 4 . 10 1 1 A 2 2 ARG HA H 3 4.608 4.065 0.543 1
1 12 . 10 1 1 A 3 3 PRO HA H 4 4.419 4.174 0.245 1
1 19 . 10 1 1 A 4 4 TYR H H 5 8.180 7.962 0.218 1
1 20 . 10 1 1 A 4 4 TYR HA H 5 4.449 4.121 0.328 1
1 27 . 10 1 1 A 5 5 LYS H H 6 8.129 8.641 -0.512 1
1 28 . 10 1 1 A 5 5 LYS HA H 6 4.135 4.447 -0.312 1
1 37 . 10 1 1 A 6 6 LEU H H 7 7.959 7.951 0.008 1
1 38 . 10 1 1 A 6 6 LEU HA H 7 4.200 4.675 -0.475 1
1 48 . 10 1 1 A 7 7 LEU H H 8 8.116 7.793 0.323 1
1 49 . 10 1 1 A 7 7 LEU HA H 8 4.177 4.574 -0.397 1
1 59 . 10 1 1 A 8 8 ASN H H 9 8.390 8.039 0.351 1
1 60 . 10 1 1 A 8 8 ASN HA H 9 4.562 4.326 0.236 1
1 65 . 10 1 1 A 9 9 GLY H H 10 7.889 7.932 -0.043 1
1 66 . 10 1 1 A 9 9 GLY HA2 H 10 3.608 4.181 -0.573 1
1 67 . 10 1 1 A 9 9 GLY HA3 H 10 4.077 4.183 -0.106 1
1 68 . 10 1 1 A 10 10 ILE H H 11 8.883 9.043 -0.160 1
1 69 . 10 1 1 A 10 10 ILE HA H 11 4.404 4.875 -0.471 1
1 79 . 10 1 1 A 11 11 LYS H H 12 8.432 8.954 -0.522 1
1 80 . 10 1 1 A 11 11 LYS HA H 12 3.920 5.010 -1.090 1
1 87 . 10 1 1 A 12 12 LEU H H 13 8.896 9.022 -0.126 1
1 88 . 10 1 1 A 12 12 LEU HA H 13 4.500 5.216 -0.716 1
1 98 . 10 1 1 A 13 13 GLY H H 14 8.545 9.098 -0.553 1
1 99 . 10 1 1 A 13 13 GLY HA2 H 14 3.323 4.186 -0.863 1
1 100 . 10 1 1 A 13 13 GLY HA3 H 14 4.918 4.188 0.730 1
1 101 . 10 1 1 A 14 14 VAL H H 15 8.419 8.741 -0.322 1
1 102 . 10 1 1 A 14 14 VAL HA H 15 4.369 4.813 -0.444 1
1 110 . 10 1 1 A 15 15 TYR H H 16 8.680 8.896 -0.216 1
1 111 . 10 1 1 A 15 15 TYR HA H 16 4.963 5.263 -0.300 1
1 118 . 10 1 1 A 16 16 ILE H H 17 8.794 8.915 -0.121 1
1 119 . 10 1 1 A 16 16 ILE HA H 17 4.670 4.968 -0.298 1
1 129 . 10 1 1 A 17 17 PRO HA H 18 4.356 4.566 -0.210 1
1 136 . 10 1 1 A 18 18 GLN H H 19 9.107 9.026 0.081 1
1 137 . 10 1 1 A 18 18 GLN HA H 19 3.772 3.981 -0.209 1
1 144 . 10 1 1 A 19 19 GLU H H 20 9.483 8.420 1.063 1
1 145 . 10 1 1 A 19 19 GLU HA H 20 4.244 4.105 0.139 1
1 150 . 10 1 1 A 20 20 TRP H H 21 7.250 8.033 -0.783 1
1 151 . 10 1 1 A 20 20 TRP HA H 21 4.608 4.367 0.241 1
1 160 . 10 1 1 A 21 21 HIS H H 22 8.005 8.601 -0.596 1
1 161 . 10 1 1 A 21 21 HIS HA H 22 3.887 4.223 -0.336 1
1 166 . 10 1 1 A 22 22 ASP H H 23 8.843 8.949 -0.106 1
1 167 . 10 1 1 A 22 22 ASP HA H 23 4.364 4.212 0.152 1
1 170 . 10 1 1 A 23 23 ARG H H 24 7.746 7.511 0.235 1
1 171 . 10 1 1 A 23 23 ARG HA H 24 4.203 4.129 0.074 1
1 179 . 10 1 1 A 24 24 LEU H H 25 8.474 7.827 0.647 1
1 180 . 10 1 1 A 24 24 LEU HA H 25 3.940 3.807 0.133 1
1 190 . 10 1 1 A 25 25 MET H H 26 8.044 8.225 -0.181 1
1 191 . 10 1 1 A 25 25 MET HA H 26 4.205 4.034 0.171 1
1 199 . 10 1 1 A 26 26 GLU H H 27 7.709 7.790 -0.081 1
1 200 . 10 1 1 A 26 26 GLU HA H 27 4.139 4.040 0.099 1
1 205 . 10 1 1 A 27 27 ILE H H 28 7.828 7.837 -0.009 1
1 206 . 10 1 1 A 27 27 ILE HA H 28 3.666 3.912 -0.246 1
1 216 . 10 1 1 A 28 28 ALA H H 29 8.459 8.358 0.101 1
1 217 . 10 1 1 A 28 28 ALA HA H 29 3.610 3.960 -0.350 1
1 221 . 10 1 1 A 29 29 LYS H H 30 8.015 7.538 0.477 1
1 222 . 10 1 1 A 29 29 LYS HA H 30 4.144 4.124 0.020 1
1 234 . 10 1 1 A 30 30 GLU H H 31 8.096 7.787 0.309 1
1 235 . 10 1 1 A 30 30 GLU HA H 31 4.064 4.105 -0.041 1
1 240 . 10 1 1 A 31 31 LYS H H 32 8.033 7.793 0.240 1
1 241 . 10 1 1 A 31 31 LYS HA H 32 4.313 4.354 -0.041 1
1 248 . 10 1 1 A 32 32 ASN H H 33 7.959 7.988 -0.029 1
1 249 . 10 1 1 A 32 32 ASN HA H 33 4.419 4.247 0.172 1
1 254 . 10 1 1 A 33 33 LEU H H 34 8.538 7.749 0.789 1
1 255 . 10 1 1 A 33 33 LEU HA H 34 4.925 4.875 0.050 1
1 265 . 10 1 1 A 34 34 THR H H 35 8.656 8.574 0.082 1
1 266 . 10 1 1 A 34 34 THR HA H 35 4.608 4.841 -0.233 1
1 271 . 10 1 1 A 35 35 LEU H H 36 9.000 8.894 0.106 1
1 272 . 10 1 1 A 35 35 LEU HA H 36 3.908 3.797 0.111 1
1 282 . 10 1 1 A 36 36 SER H H 37 8.656 7.926 0.730 1
1 283 . 10 1 1 A 36 36 SER HA H 37 4.059 4.031 0.028 1
1 286 . 10 1 1 A 37 37 ASP H H 38 7.984 8.030 -0.046 1
1 287 . 10 1 1 A 37 37 ASP HA H 38 4.355 4.336 0.019 1
1 290 . 10 1 1 A 38 38 VAL H H 39 8.015 8.096 -0.081 1
1 291 . 10 1 1 A 38 38 VAL HA H 39 3.576 3.517 0.059 1
1 299 . 10 1 1 A 39 39 CYS H H 40 8.260 8.152 0.108 1
1 300 . 10 1 1 A 39 39 CYS HA H 40 3.777 4.036 -0.259 1
1 303 . 10 1 1 A 40 40 ARG H H 41 8.206 7.907 0.299 1
1 304 . 10 1 1 A 40 40 ARG HA H 41 4.008 4.066 -0.058 1
1 312 . 10 1 1 A 41 41 LEU H H 42 7.822 8.604 -0.782 1
1 313 . 10 1 1 A 41 41 LEU HA H 42 4.036 4.150 -0.114 1
1 323 . 10 1 1 A 42 42 ALA H H 43 7.741 7.741 0.000 1
1 324 . 10 1 1 A 42 42 ALA HA H 43 3.699 4.071 -0.372 1
1 328 . 10 1 1 A 43 43 ILE H H 44 8.043 7.597 0.446 1
1 329 . 10 1 1 A 43 43 ILE HA H 44 3.423 3.860 -0.437 1
1 339 . 10 1 1 A 44 44 LYS H H 45 8.432 7.916 0.516 1
1 340 . 10 1 1 A 44 44 LYS HA H 45 3.014 4.020 -1.006 1
1 349 . 10 1 1 A 45 45 GLU H H 46 8.370 7.756 0.614 1
1 350 . 10 1 1 A 45 45 GLU HA H 46 4.002 4.104 -0.102 1
1 355 . 10 1 1 A 46 46 TYR H H 47 7.703 8.054 -0.351 1
1 356 . 10 1 1 A 46 46 TYR HA H 47 4.308 4.362 -0.054 1
1 363 . 10 1 1 A 47 47 LEU H H 48 8.432 8.735 -0.303 1
1 364 . 10 1 1 A 47 47 LEU HA H 48 3.709 3.925 -0.216 1
1 374 . 10 1 1 A 48 48 ASP H H 49 8.530 8.175 0.355 1
1 375 . 10 1 1 A 48 48 ASP HA H 49 4.255 4.412 -0.157 1
1 378 . 10 1 1 A 49 49 ASN H H 50 7.934 8.254 -0.320 1
1 379 . 10 1 1 A 49 49 ASN HA H 50 4.482 4.470 0.012 1
1 384 . 10 1 1 A 50 50 HIS H H 51 7.830 7.499 0.331 1
1 385 . 10 1 1 A 50 50 HIS HA H 51 4.424 4.338 0.086 1
1 390 . 10 1 1 A 51 51 ASP H H 52 8.052 8.324 -0.272 1
1 391 . 10 1 1 A 51 51 ASP HA H 52 4.680 4.587 0.093 1
1 394 . 10 1 1 A 52 52 LYS H H 53 8.069 8.583 -0.514 1
1 395 . 10 1 1 A 52 52 LYS HA H 53 4.220 4.279 -0.059 1
1 404 . 10 1 1 A 53 53 GLN H H 54 8.246 7.941 0.305 1
1 405 . 10 1 1 A 53 53 GLN HA H 54 4.257 4.295 -0.038 1
1 412 . 10 1 1 A 54 54 LYS H H 55 8.200 8.698 -0.498 1
1 413 . 10 1 1 A 54 54 LYS HA H 55 4.266 4.577 -0.311 1
1 3 . 11 1 1 A 2 2 ARG H H 3 8.676 8.914 -0.238 1
1 4 . 11 1 1 A 2 2 ARG HA H 3 4.608 3.868 0.740 1
1 12 . 11 1 1 A 3 3 PRO HA H 4 4.419 4.272 0.147 1
1 19 . 11 1 1 A 4 4 TYR H H 5 8.180 7.995 0.185 1
1 20 . 11 1 1 A 4 4 TYR HA H 5 4.449 4.683 -0.234 1
1 27 . 11 1 1 A 5 5 LYS H H 6 8.129 8.246 -0.117 1
1 28 . 11 1 1 A 5 5 LYS HA H 6 4.135 4.521 -0.386 1
1 37 . 11 1 1 A 6 6 LEU H H 7 7.959 8.316 -0.357 1
1 38 . 11 1 1 A 6 6 LEU HA H 7 4.200 4.750 -0.550 1
1 48 . 11 1 1 A 7 7 LEU H H 8 8.116 8.656 -0.540 1
1 49 . 11 1 1 A 7 7 LEU HA H 8 4.177 4.490 -0.313 1
1 59 . 11 1 1 A 8 8 ASN H H 9 8.390 8.120 0.270 1
1 60 . 11 1 1 A 8 8 ASN HA H 9 4.562 4.407 0.155 1
1 65 . 11 1 1 A 9 9 GLY H H 10 7.889 7.697 0.192 1
1 66 . 11 1 1 A 9 9 GLY HA2 H 10 3.608 4.091 -0.483 1
1 67 . 11 1 1 A 9 9 GLY HA3 H 10 4.077 4.095 -0.018 1
1 68 . 11 1 1 A 10 10 ILE H H 11 8.883 8.626 0.257 1
1 69 . 11 1 1 A 10 10 ILE HA H 11 4.404 4.867 -0.463 1
1 79 . 11 1 1 A 11 11 LYS H H 12 8.432 8.918 -0.486 1
1 80 . 11 1 1 A 11 11 LYS HA H 12 3.920 5.047 -1.127 1
1 87 . 11 1 1 A 12 12 LEU H H 13 8.896 8.934 -0.038 1
1 88 . 11 1 1 A 12 12 LEU HA H 13 4.500 5.243 -0.743 1
1 98 . 11 1 1 A 13 13 GLY H H 14 8.545 8.370 0.175 1
1 99 . 11 1 1 A 13 13 GLY HA2 H 14 3.323 4.284 -0.961 1
1 100 . 11 1 1 A 13 13 GLY HA3 H 14 4.918 4.301 0.617 1
1 101 . 11 1 1 A 14 14 VAL H H 15 8.419 8.655 -0.236 1
1 102 . 11 1 1 A 14 14 VAL HA H 15 4.369 4.909 -0.540 1
1 110 . 11 1 1 A 15 15 TYR H H 16 8.680 8.964 -0.284 1
1 111 . 11 1 1 A 15 15 TYR HA H 16 4.963 5.068 -0.105 1
1 118 . 11 1 1 A 16 16 ILE H H 17 8.794 8.755 0.039 1
1 119 . 11 1 1 A 16 16 ILE HA H 17 4.670 4.791 -0.121 1
1 129 . 11 1 1 A 17 17 PRO HA H 18 4.356 4.567 -0.211 1
1 136 . 11 1 1 A 18 18 GLN H H 19 9.107 9.134 -0.027 1
1 137 . 11 1 1 A 18 18 GLN HA H 19 3.772 4.036 -0.264 1
1 144 . 11 1 1 A 19 19 GLU H H 20 9.483 8.470 1.013 1
1 145 . 11 1 1 A 19 19 GLU HA H 20 4.244 4.106 0.138 1
1 150 . 11 1 1 A 20 20 TRP H H 21 7.250 7.643 -0.393 1
1 151 . 11 1 1 A 20 20 TRP HA H 21 4.608 4.461 0.147 1
1 160 . 11 1 1 A 21 21 HIS H H 22 8.005 8.407 -0.402 1
1 161 . 11 1 1 A 21 21 HIS HA H 22 3.887 4.274 -0.387 1
1 166 . 11 1 1 A 22 22 ASP H H 23 8.843 8.961 -0.118 1
1 167 . 11 1 1 A 22 22 ASP HA H 23 4.364 4.160 0.204 1
1 170 . 11 1 1 A 23 23 ARG H H 24 7.746 7.775 -0.029 1
1 171 . 11 1 1 A 23 23 ARG HA H 24 4.203 4.058 0.145 1
1 179 . 11 1 1 A 24 24 LEU H H 25 8.474 8.080 0.394 1
1 180 . 11 1 1 A 24 24 LEU HA H 25 3.940 3.872 0.068 1
1 190 . 11 1 1 A 25 25 MET H H 26 8.044 8.216 -0.172 1
1 191 . 11 1 1 A 25 25 MET HA H 26 4.205 4.022 0.183 1
1 199 . 11 1 1 A 26 26 GLU H H 27 7.709 7.991 -0.282 1
1 200 . 11 1 1 A 26 26 GLU HA H 27 4.139 4.103 0.036 1
1 205 . 11 1 1 A 27 27 ILE H H 28 7.828 7.812 0.016 1
1 206 . 11 1 1 A 27 27 ILE HA H 28 3.666 3.770 -0.104 1
1 216 . 11 1 1 A 28 28 ALA H H 29 8.459 8.373 0.086 1
1 217 . 11 1 1 A 28 28 ALA HA H 29 3.610 4.006 -0.396 1
1 221 . 11 1 1 A 29 29 LYS H H 30 8.015 7.594 0.421 1
1 222 . 11 1 1 A 29 29 LYS HA H 30 4.144 4.106 0.038 1
1 234 . 11 1 1 A 30 30 GLU H H 31 8.096 7.649 0.447 1
1 235 . 11 1 1 A 30 30 GLU HA H 31 4.064 4.053 0.011 1
1 240 . 11 1 1 A 31 31 LYS H H 32 8.033 7.573 0.460 1
1 241 . 11 1 1 A 31 31 LYS HA H 32 4.313 4.334 -0.021 1
1 248 . 11 1 1 A 32 32 ASN H H 33 7.959 8.198 -0.239 1
1 249 . 11 1 1 A 32 32 ASN HA H 33 4.419 4.332 0.087 1
1 254 . 11 1 1 A 33 33 LEU H H 34 8.538 7.664 0.874 1
1 255 . 11 1 1 A 33 33 LEU HA H 34 4.925 4.893 0.032 1
1 265 . 11 1 1 A 34 34 THR H H 35 8.656 8.157 0.499 1
1 266 . 11 1 1 A 34 34 THR HA H 35 4.608 4.856 -0.248 1
1 271 . 11 1 1 A 35 35 LEU H H 36 9.000 8.852 0.148 1
1 272 . 11 1 1 A 35 35 LEU HA H 36 3.908 3.898 0.010 1
1 282 . 11 1 1 A 36 36 SER H H 37 8.656 8.040 0.616 1
1 283 . 11 1 1 A 36 36 SER HA H 37 4.059 4.055 0.004 1
1 286 . 11 1 1 A 37 37 ASP H H 38 7.984 8.304 -0.320 1
1 287 . 11 1 1 A 37 37 ASP HA H 38 4.355 4.299 0.056 1
1 290 . 11 1 1 A 38 38 VAL H H 39 8.015 8.322 -0.307 1
1 291 . 11 1 1 A 38 38 VAL HA H 39 3.576 3.592 -0.016 1
1 299 . 11 1 1 A 39 39 CYS H H 40 8.260 8.227 0.033 1
1 300 . 11 1 1 A 39 39 CYS HA H 40 3.777 4.149 -0.372 1
1 303 . 11 1 1 A 40 40 ARG H H 41 8.206 7.990 0.216 1
1 304 . 11 1 1 A 40 40 ARG HA H 41 4.008 4.103 -0.095 1
1 312 . 11 1 1 A 41 41 LEU H H 42 7.822 8.516 -0.694 1
1 313 . 11 1 1 A 41 41 LEU HA H 42 4.036 4.158 -0.122 1
1 323 . 11 1 1 A 42 42 ALA H H 43 7.741 7.747 -0.006 1
1 324 . 11 1 1 A 42 42 ALA HA H 43 3.699 4.081 -0.382 1
1 328 . 11 1 1 A 43 43 ILE H H 44 8.043 7.539 0.504 1
1 329 . 11 1 1 A 43 43 ILE HA H 44 3.423 3.843 -0.420 1
1 339 . 11 1 1 A 44 44 LYS H H 45 8.432 7.926 0.506 1
1 340 . 11 1 1 A 44 44 LYS HA H 45 3.014 4.008 -0.994 1
1 349 . 11 1 1 A 45 45 GLU H H 46 8.370 8.008 0.362 1
1 350 . 11 1 1 A 45 45 GLU HA H 46 4.002 4.098 -0.096 1
1 355 . 11 1 1 A 46 46 TYR H H 47 7.703 7.904 -0.201 1
1 356 . 11 1 1 A 46 46 TYR HA H 47 4.308 4.323 -0.015 1
1 363 . 11 1 1 A 47 47 LEU H H 48 8.432 8.745 -0.313 1
1 364 . 11 1 1 A 47 47 LEU HA H 48 3.709 3.925 -0.216 1
1 374 . 11 1 1 A 48 48 ASP H H 49 8.530 8.480 0.050 1
1 375 . 11 1 1 A 48 48 ASP HA H 49 4.255 4.308 -0.053 1
1 378 . 11 1 1 A 49 49 ASN H H 50 7.934 7.937 -0.003 1
1 379 . 11 1 1 A 49 49 ASN HA H 50 4.482 4.590 -0.108 1
1 384 . 11 1 1 A 50 50 HIS H H 51 7.830 7.767 0.063 1
1 385 . 11 1 1 A 50 50 HIS HA H 51 4.424 4.376 0.048 1
1 390 . 11 1 1 A 51 51 ASP H H 52 8.052 8.058 -0.006 1
1 391 . 11 1 1 A 51 51 ASP HA H 52 4.680 4.639 0.041 1
1 394 . 11 1 1 A 52 52 LYS H H 53 8.069 7.887 0.182 1
1 395 . 11 1 1 A 52 52 LYS HA H 53 4.220 4.199 0.021 1
1 404 . 11 1 1 A 53 53 GLN H H 54 8.246 7.953 0.293 1
1 405 . 11 1 1 A 53 53 GLN HA H 54 4.257 4.396 -0.139 1
1 412 . 11 1 1 A 54 54 LYS H H 55 8.200 8.716 -0.516 1
1 413 . 11 1 1 A 54 54 LYS HA H 55 4.266 4.712 -0.446 1
1 3 . 12 1 1 A 2 2 ARG H H 3 8.676 8.358 0.318 1
1 4 . 12 1 1 A 2 2 ARG HA H 3 4.608 4.742 -0.134 1
1 12 . 12 1 1 A 3 3 PRO HA H 4 4.419 4.309 0.110 1
1 19 . 12 1 1 A 4 4 TYR H H 5 8.180 8.497 -0.317 1
1 20 . 12 1 1 A 4 4 TYR HA H 5 4.449 4.252 0.197 1
1 27 . 12 1 1 A 5 5 LYS H H 6 8.129 7.773 0.356 1
1 28 . 12 1 1 A 5 5 LYS HA H 6 4.135 4.282 -0.147 1
1 37 . 12 1 1 A 6 6 LEU H H 7 7.959 7.868 0.091 1
1 38 . 12 1 1 A 6 6 LEU HA H 7 4.200 3.881 0.319 1
1 48 . 12 1 1 A 7 7 LEU H H 8 8.116 8.108 0.008 1
1 49 . 12 1 1 A 7 7 LEU HA H 8 4.177 4.513 -0.336 1
1 59 . 12 1 1 A 8 8 ASN H H 9 8.390 9.049 -0.659 1
1 60 . 12 1 1 A 8 8 ASN HA H 9 4.562 4.663 -0.101 1
1 65 . 12 1 1 A 9 9 GLY H H 10 7.889 7.562 0.327 1
1 66 . 12 1 1 A 9 9 GLY HA2 H 10 3.608 3.996 -0.388 1
1 67 . 12 1 1 A 9 9 GLY HA3 H 10 4.077 4.001 0.076 1
1 68 . 12 1 1 A 10 10 ILE H H 11 8.883 8.727 0.156 1
1 69 . 12 1 1 A 10 10 ILE HA H 11 4.404 5.011 -0.607 1
1 79 . 12 1 1 A 11 11 LYS H H 12 8.432 8.756 -0.324 1
1 80 . 12 1 1 A 11 11 LYS HA H 12 3.920 5.015 -1.095 1
1 87 . 12 1 1 A 12 12 LEU H H 13 8.896 8.937 -0.041 1
1 88 . 12 1 1 A 12 12 LEU HA H 13 4.500 5.037 -0.537 1
1 98 . 12 1 1 A 13 13 GLY H H 14 8.545 9.103 -0.558 1
1 99 . 12 1 1 A 13 13 GLY HA2 H 14 3.323 4.079 -0.756 1
1 100 . 12 1 1 A 13 13 GLY HA3 H 14 4.918 4.104 0.814 1
1 101 . 12 1 1 A 14 14 VAL H H 15 8.419 9.187 -0.768 1
1 102 . 12 1 1 A 14 14 VAL HA H 15 4.369 4.530 -0.161 1
1 110 . 12 1 1 A 15 15 TYR H H 16 8.680 9.046 -0.366 1
1 111 . 12 1 1 A 15 15 TYR HA H 16 4.963 5.269 -0.306 1
1 118 . 12 1 1 A 16 16 ILE H H 17 8.794 8.821 -0.027 1
1 119 . 12 1 1 A 16 16 ILE HA H 17 4.670 4.863 -0.193 1
1 129 . 12 1 1 A 17 17 PRO HA H 18 4.356 4.387 -0.031 1
1 136 . 12 1 1 A 18 18 GLN H H 19 9.107 8.512 0.595 1
1 137 . 12 1 1 A 18 18 GLN HA H 19 3.772 4.033 -0.261 1
1 144 . 12 1 1 A 19 19 GLU H H 20 9.483 8.347 1.136 1
1 145 . 12 1 1 A 19 19 GLU HA H 20 4.244 4.107 0.137 1
1 150 . 12 1 1 A 20 20 TRP H H 21 7.250 7.782 -0.532 1
1 151 . 12 1 1 A 20 20 TRP HA H 21 4.608 4.538 0.070 1
1 160 . 12 1 1 A 21 21 HIS H H 22 8.005 8.162 -0.157 1
1 161 . 12 1 1 A 21 21 HIS HA H 22 3.887 4.235 -0.348 1
1 166 . 12 1 1 A 22 22 ASP H H 23 8.843 8.726 0.117 1
1 167 . 12 1 1 A 22 22 ASP HA H 23 4.364 4.254 0.110 1
1 170 . 12 1 1 A 23 23 ARG H H 24 7.746 7.715 0.031 1
1 171 . 12 1 1 A 23 23 ARG HA H 24 4.203 4.105 0.098 1
1 179 . 12 1 1 A 24 24 LEU H H 25 8.474 8.816 -0.342 1
1 180 . 12 1 1 A 24 24 LEU HA H 25 3.940 4.048 -0.108 1
1 190 . 12 1 1 A 25 25 MET H H 26 8.044 8.516 -0.472 1
1 191 . 12 1 1 A 25 25 MET HA H 26 4.205 4.124 0.081 1
1 199 . 12 1 1 A 26 26 GLU H H 27 7.709 7.812 -0.103 1
1 200 . 12 1 1 A 26 26 GLU HA H 27 4.139 4.153 -0.014 1
1 205 . 12 1 1 A 27 27 ILE H H 28 7.828 7.788 0.040 1
1 206 . 12 1 1 A 27 27 ILE HA H 28 3.666 3.744 -0.078 1
1 216 . 12 1 1 A 28 28 ALA H H 29 8.459 8.650 -0.191 1
1 217 . 12 1 1 A 28 28 ALA HA H 29 3.610 3.997 -0.387 1
1 221 . 12 1 1 A 29 29 LYS H H 30 8.015 7.523 0.492 1
1 222 . 12 1 1 A 29 29 LYS HA H 30 4.144 4.116 0.028 1
1 234 . 12 1 1 A 30 30 GLU H H 31 8.096 7.667 0.429 1
1 235 . 12 1 1 A 30 30 GLU HA H 31 4.064 4.045 0.019 1
1 240 . 12 1 1 A 31 31 LYS H H 32 8.033 7.589 0.444 1
1 241 . 12 1 1 A 31 31 LYS HA H 32 4.313 4.362 -0.049 1
1 248 . 12 1 1 A 32 32 ASN H H 33 7.959 7.896 0.063 1
1 249 . 12 1 1 A 32 32 ASN HA H 33 4.419 4.348 0.071 1
1 254 . 12 1 1 A 33 33 LEU H H 34 8.538 7.789 0.749 1
1 255 . 12 1 1 A 33 33 LEU HA H 34 4.925 4.900 0.025 1
1 265 . 12 1 1 A 34 34 THR H H 35 8.656 8.250 0.406 1
1 266 . 12 1 1 A 34 34 THR HA H 35 4.608 4.932 -0.324 1
1 271 . 12 1 1 A 35 35 LEU H H 36 9.000 8.831 0.169 1
1 272 . 12 1 1 A 35 35 LEU HA H 36 3.908 3.882 0.026 1
1 282 . 12 1 1 A 36 36 SER H H 37 8.656 8.312 0.344 1
1 283 . 12 1 1 A 36 36 SER HA H 37 4.059 4.138 -0.079 1
1 286 . 12 1 1 A 37 37 ASP H H 38 7.984 8.144 -0.160 1
1 287 . 12 1 1 A 37 37 ASP HA H 38 4.355 4.378 -0.023 1
1 290 . 12 1 1 A 38 38 VAL H H 39 8.015 7.983 0.032 1
1 291 . 12 1 1 A 38 38 VAL HA H 39 3.576 3.512 0.064 1
1 299 . 12 1 1 A 39 39 CYS H H 40 8.260 8.115 0.145 1
1 300 . 12 1 1 A 39 39 CYS HA H 40 3.777 4.054 -0.277 1
1 303 . 12 1 1 A 40 40 ARG H H 41 8.206 7.778 0.428 1
1 304 . 12 1 1 A 40 40 ARG HA H 41 4.008 4.073 -0.065 1
1 312 . 12 1 1 A 41 41 LEU H H 42 7.822 8.363 -0.541 1
1 313 . 12 1 1 A 41 41 LEU HA H 42 4.036 4.102 -0.066 1
1 323 . 12 1 1 A 42 42 ALA H H 43 7.741 7.770 -0.029 1
1 324 . 12 1 1 A 42 42 ALA HA H 43 3.699 4.086 -0.387 1
1 328 . 12 1 1 A 43 43 ILE H H 44 8.043 7.555 0.488 1
1 329 . 12 1 1 A 43 43 ILE HA H 44 3.423 3.615 -0.192 1
1 339 . 12 1 1 A 44 44 LYS H H 45 8.432 7.993 0.439 1
1 340 . 12 1 1 A 44 44 LYS HA H 45 3.014 3.958 -0.944 1
1 349 . 12 1 1 A 45 45 GLU H H 46 8.370 7.767 0.603 1
1 350 . 12 1 1 A 45 45 GLU HA H 46 4.002 4.091 -0.089 1
1 355 . 12 1 1 A 46 46 TYR H H 47 7.703 8.333 -0.630 1
1 356 . 12 1 1 A 46 46 TYR HA H 47 4.308 4.246 0.062 1
1 363 . 12 1 1 A 47 47 LEU H H 48 8.432 8.746 -0.314 1
1 364 . 12 1 1 A 47 47 LEU HA H 48 3.709 3.933 -0.224 1
1 374 . 12 1 1 A 48 48 ASP H H 49 8.530 8.020 0.510 1
1 375 . 12 1 1 A 48 48 ASP HA H 49 4.255 4.393 -0.138 1
1 378 . 12 1 1 A 49 49 ASN H H 50 7.934 7.839 0.095 1
1 379 . 12 1 1 A 49 49 ASN HA H 50 4.482 4.465 0.017 1
1 384 . 12 1 1 A 50 50 HIS H H 51 7.830 7.884 -0.054 1
1 385 . 12 1 1 A 50 50 HIS HA H 51 4.424 4.329 0.095 1
1 390 . 12 1 1 A 51 51 ASP H H 52 8.052 8.374 -0.322 1
1 391 . 12 1 1 A 51 51 ASP HA H 52 4.680 4.727 -0.047 1
1 394 . 12 1 1 A 52 52 LYS H H 53 8.069 8.939 -0.870 1
1 395 . 12 1 1 A 52 52 LYS HA H 53 4.220 4.524 -0.304 1
1 404 . 12 1 1 A 53 53 GLN H H 54 8.246 7.899 0.347 1
1 405 . 12 1 1 A 53 53 GLN HA H 54 4.257 4.576 -0.319 1
1 412 . 12 1 1 A 54 54 LYS H H 55 8.200 7.552 0.648 1
1 413 . 12 1 1 A 54 54 LYS HA H 55 4.266 4.403 -0.137 1
1 3 . 13 1 1 A 2 2 ARG H H 3 8.676 8.206 0.470 1
1 4 . 13 1 1 A 2 2 ARG HA H 3 4.608 4.740 -0.132 1
1 12 . 13 1 1 A 3 3 PRO HA H 4 4.419 4.307 0.112 1
1 19 . 13 1 1 A 4 4 TYR H H 5 8.180 8.298 -0.118 1
1 20 . 13 1 1 A 4 4 TYR HA H 5 4.449 4.131 0.318 1
1 27 . 13 1 1 A 5 5 LYS H H 6 8.129 8.191 -0.062 1
1 28 . 13 1 1 A 5 5 LYS HA H 6 4.135 4.538 -0.403 1
1 37 . 13 1 1 A 6 6 LEU H H 7 7.959 8.311 -0.352 1
1 38 . 13 1 1 A 6 6 LEU HA H 7 4.200 4.094 0.106 1
1 48 . 13 1 1 A 7 7 LEU H H 8 8.116 8.310 -0.194 1
1 49 . 13 1 1 A 7 7 LEU HA H 8 4.177 4.105 0.072 1
1 59 . 13 1 1 A 8 8 ASN H H 9 8.390 8.565 -0.175 1
1 60 . 13 1 1 A 8 8 ASN HA H 9 4.562 4.782 -0.220 1
1 65 . 13 1 1 A 9 9 GLY H H 10 7.889 7.476 0.413 1
1 66 . 13 1 1 A 9 9 GLY HA2 H 10 3.608 4.090 -0.482 1
1 67 . 13 1 1 A 9 9 GLY HA3 H 10 4.077 4.095 -0.018 1
1 68 . 13 1 1 A 10 10 ILE H H 11 8.883 8.914 -0.031 1
1 69 . 13 1 1 A 10 10 ILE HA H 11 4.404 5.004 -0.600 1
1 79 . 13 1 1 A 11 11 LYS H H 12 8.432 8.763 -0.331 1
1 80 . 13 1 1 A 11 11 LYS HA H 12 3.920 5.079 -1.159 1
1 87 . 13 1 1 A 12 12 LEU H H 13 8.896 8.985 -0.089 1
1 88 . 13 1 1 A 12 12 LEU HA H 13 4.500 5.052 -0.552 1
1 98 . 13 1 1 A 13 13 GLY H H 14 8.545 9.082 -0.537 1
1 99 . 13 1 1 A 13 13 GLY HA2 H 14 3.323 4.100 -0.777 1
1 100 . 13 1 1 A 13 13 GLY HA3 H 14 4.918 4.117 0.801 1
1 101 . 13 1 1 A 14 14 VAL H H 15 8.419 8.968 -0.549 1
1 102 . 13 1 1 A 14 14 VAL HA H 15 4.369 4.693 -0.324 1
1 110 . 13 1 1 A 15 15 TYR H H 16 8.680 8.960 -0.280 1
1 111 . 13 1 1 A 15 15 TYR HA H 16 4.963 5.271 -0.308 1
1 118 . 13 1 1 A 16 16 ILE H H 17 8.794 8.774 0.020 1
1 119 . 13 1 1 A 16 16 ILE HA H 17 4.670 4.750 -0.080 1
1 129 . 13 1 1 A 17 17 PRO HA H 18 4.356 4.491 -0.135 1
1 136 . 13 1 1 A 18 18 GLN H H 19 9.107 8.611 0.496 1
1 137 . 13 1 1 A 18 18 GLN HA H 19 3.772 4.005 -0.233 1
1 144 . 13 1 1 A 19 19 GLU H H 20 9.483 8.292 1.191 1
1 145 . 13 1 1 A 19 19 GLU HA H 20 4.244 4.139 0.105 1
1 150 . 13 1 1 A 20 20 TRP H H 21 7.250 8.191 -0.941 1
1 151 . 13 1 1 A 20 20 TRP HA H 21 4.608 4.487 0.121 1
1 160 . 13 1 1 A 21 21 HIS H H 22 8.005 8.338 -0.333 1
1 161 . 13 1 1 A 21 21 HIS HA H 22 3.887 4.271 -0.384 1
1 166 . 13 1 1 A 22 22 ASP H H 23 8.843 8.804 0.039 1
1 167 . 13 1 1 A 22 22 ASP HA H 23 4.364 4.217 0.147 1
1 170 . 13 1 1 A 23 23 ARG H H 24 7.746 7.653 0.093 1
1 171 . 13 1 1 A 23 23 ARG HA H 24 4.203 4.103 0.100 1
1 179 . 13 1 1 A 24 24 LEU H H 25 8.474 8.748 -0.274 1
1 180 . 13 1 1 A 24 24 LEU HA H 25 3.940 3.959 -0.019 1
1 190 . 13 1 1 A 25 25 MET H H 26 8.044 8.651 -0.607 1
1 191 . 13 1 1 A 25 25 MET HA H 26 4.205 4.031 0.174 1
1 199 . 13 1 1 A 26 26 GLU H H 27 7.709 7.862 -0.153 1
1 200 . 13 1 1 A 26 26 GLU HA H 27 4.139 4.154 -0.015 1
1 205 . 13 1 1 A 27 27 ILE H H 28 7.828 7.934 -0.106 1
1 206 . 13 1 1 A 27 27 ILE HA H 28 3.666 3.690 -0.024 1
1 216 . 13 1 1 A 28 28 ALA H H 29 8.459 8.781 -0.322 1
1 217 . 13 1 1 A 28 28 ALA HA H 29 3.610 3.966 -0.356 1
1 221 . 13 1 1 A 29 29 LYS H H 30 8.015 7.740 0.275 1
1 222 . 13 1 1 A 29 29 LYS HA H 30 4.144 4.092 0.052 1
1 234 . 13 1 1 A 30 30 GLU H H 31 8.096 7.935 0.161 1
1 235 . 13 1 1 A 30 30 GLU HA H 31 4.064 4.063 0.001 1
1 240 . 13 1 1 A 31 31 LYS H H 32 8.033 7.589 0.444 1
1 241 . 13 1 1 A 31 31 LYS HA H 32 4.313 4.366 -0.053 1
1 248 . 13 1 1 A 32 32 ASN H H 33 7.959 7.699 0.260 1
1 249 . 13 1 1 A 32 32 ASN HA H 33 4.419 4.246 0.173 1
1 254 . 13 1 1 A 33 33 LEU H H 34 8.538 7.806 0.732 1
1 255 . 13 1 1 A 33 33 LEU HA H 34 4.925 4.910 0.015 1
1 265 . 13 1 1 A 34 34 THR H H 35 8.656 8.399 0.257 1
1 266 . 13 1 1 A 34 34 THR HA H 35 4.608 4.850 -0.242 1
1 271 . 13 1 1 A 35 35 LEU H H 36 9.000 8.923 0.077 1
1 272 . 13 1 1 A 35 35 LEU HA H 36 3.908 3.851 0.057 1
1 282 . 13 1 1 A 36 36 SER H H 37 8.656 7.884 0.772 1
1 283 . 13 1 1 A 36 36 SER HA H 37 4.059 4.006 0.053 1
1 286 . 13 1 1 A 37 37 ASP H H 38 7.984 8.118 -0.134 1
1 287 . 13 1 1 A 37 37 ASP HA H 38 4.355 4.326 0.029 1
1 290 . 13 1 1 A 38 38 VAL H H 39 8.015 8.205 -0.190 1
1 291 . 13 1 1 A 38 38 VAL HA H 39 3.576 3.569 0.007 1
1 299 . 13 1 1 A 39 39 CYS H H 40 8.260 7.985 0.275 1
1 300 . 13 1 1 A 39 39 CYS HA H 40 3.777 4.068 -0.291 1
1 303 . 13 1 1 A 40 40 ARG H H 41 8.206 7.787 0.419 1
1 304 . 13 1 1 A 40 40 ARG HA H 41 4.008 4.067 -0.059 1
1 312 . 13 1 1 A 41 41 LEU H H 42 7.822 8.528 -0.706 1
1 313 . 13 1 1 A 41 41 LEU HA H 42 4.036 4.118 -0.082 1
1 323 . 13 1 1 A 42 42 ALA H H 43 7.741 7.830 -0.089 1
1 324 . 13 1 1 A 42 42 ALA HA H 43 3.699 4.121 -0.422 1
1 328 . 13 1 1 A 43 43 ILE H H 44 8.043 7.820 0.223 1
1 329 . 13 1 1 A 43 43 ILE HA H 44 3.423 3.686 -0.263 1
1 339 . 13 1 1 A 44 44 LYS H H 45 8.432 7.801 0.631 1
1 340 . 13 1 1 A 44 44 LYS HA H 45 3.014 3.985 -0.971 1
1 349 . 13 1 1 A 45 45 GLU H H 46 8.370 7.713 0.657 1
1 350 . 13 1 1 A 45 45 GLU HA H 46 4.002 4.097 -0.095 1
1 355 . 13 1 1 A 46 46 TYR H H 47 7.703 8.085 -0.382 1
1 356 . 13 1 1 A 46 46 TYR HA H 47 4.308 4.397 -0.089 1
1 363 . 13 1 1 A 47 47 LEU H H 48 8.432 8.973 -0.541 1
1 364 . 13 1 1 A 47 47 LEU HA H 48 3.709 4.000 -0.291 1
1 374 . 13 1 1 A 48 48 ASP H H 49 8.530 8.408 0.122 1
1 375 . 13 1 1 A 48 48 ASP HA H 49 4.255 4.286 -0.031 1
1 378 . 13 1 1 A 49 49 ASN H H 50 7.934 7.959 -0.025 1
1 379 . 13 1 1 A 49 49 ASN HA H 50 4.482 4.589 -0.107 1
1 384 . 13 1 1 A 50 50 HIS H H 51 7.830 8.012 -0.182 1
1 385 . 13 1 1 A 50 50 HIS HA H 51 4.424 4.377 0.047 1
1 390 . 13 1 1 A 51 51 ASP H H 52 8.052 8.293 -0.241 1
1 391 . 13 1 1 A 51 51 ASP HA H 52 4.680 4.466 0.214 1
1 394 . 13 1 1 A 52 52 LYS H H 53 8.069 8.830 -0.761 1
1 395 . 13 1 1 A 52 52 LYS HA H 53 4.220 4.598 -0.378 1
1 404 . 13 1 1 A 53 53 GLN H H 54 8.246 7.738 0.508 1
1 405 . 13 1 1 A 53 53 GLN HA H 54 4.257 4.781 -0.524 1
1 412 . 13 1 1 A 54 54 LYS H H 55 8.200 8.746 -0.546 1
1 413 . 13 1 1 A 54 54 LYS HA H 55 4.266 4.561 -0.295 1
1 3 . 14 1 1 A 2 2 ARG H H 3 8.676 8.490 0.186 1
1 4 . 14 1 1 A 2 2 ARG HA H 3 4.608 5.303 -0.695 1
1 12 . 14 1 1 A 3 3 PRO HA H 4 4.419 4.118 0.301 1
1 19 . 14 1 1 A 4 4 TYR H H 5 8.180 8.049 0.131 1
1 20 . 14 1 1 A 4 4 TYR HA H 5 4.449 4.708 -0.259 1
1 27 . 14 1 1 A 5 5 LYS H H 6 8.129 8.222 -0.093 1
1 28 . 14 1 1 A 5 5 LYS HA H 6 4.135 4.246 -0.111 1
1 37 . 14 1 1 A 6 6 LEU H H 7 7.959 8.114 -0.155 1
1 38 . 14 1 1 A 6 6 LEU HA H 7 4.200 4.165 0.035 1
1 48 . 14 1 1 A 7 7 LEU H H 8 8.116 8.295 -0.179 1
1 49 . 14 1 1 A 7 7 LEU HA H 8 4.177 4.561 -0.384 1
1 59 . 14 1 1 A 8 8 ASN H H 9 8.390 8.778 -0.388 1
1 60 . 14 1 1 A 8 8 ASN HA H 9 4.562 4.847 -0.285 1
1 65 . 14 1 1 A 9 9 GLY H H 10 7.889 7.857 0.032 1
1 66 . 14 1 1 A 9 9 GLY HA2 H 10 3.608 4.275 -0.667 1
1 67 . 14 1 1 A 9 9 GLY HA3 H 10 4.077 4.278 -0.201 1
1 68 . 14 1 1 A 10 10 ILE H H 11 8.883 8.902 -0.019 1
1 69 . 14 1 1 A 10 10 ILE HA H 11 4.404 4.851 -0.447 1
1 79 . 14 1 1 A 11 11 LYS H H 12 8.432 8.885 -0.453 1
1 80 . 14 1 1 A 11 11 LYS HA H 12 3.920 5.129 -1.209 1
1 87 . 14 1 1 A 12 12 LEU H H 13 8.896 9.084 -0.188 1
1 88 . 14 1 1 A 12 12 LEU HA H 13 4.500 5.159 -0.659 1
1 98 . 14 1 1 A 13 13 GLY H H 14 8.545 8.972 -0.427 1
1 99 . 14 1 1 A 13 13 GLY HA2 H 14 3.323 4.092 -0.769 1
1 100 . 14 1 1 A 13 13 GLY HA3 H 14 4.918 4.097 0.821 1
1 101 . 14 1 1 A 14 14 VAL H H 15 8.419 9.151 -0.732 1
1 102 . 14 1 1 A 14 14 VAL HA H 15 4.369 4.595 -0.226 1
1 110 . 14 1 1 A 15 15 TYR H H 16 8.680 9.069 -0.389 1
1 111 . 14 1 1 A 15 15 TYR HA H 16 4.963 5.267 -0.304 1
1 118 . 14 1 1 A 16 16 ILE H H 17 8.794 8.728 0.066 1
1 119 . 14 1 1 A 16 16 ILE HA H 17 4.670 4.584 0.086 1
1 129 . 14 1 1 A 17 17 PRO HA H 18 4.356 4.381 -0.025 1
1 136 . 14 1 1 A 18 18 GLN H H 19 9.107 8.570 0.537 1
1 137 . 14 1 1 A 18 18 GLN HA H 19 3.772 4.068 -0.296 1
1 144 . 14 1 1 A 19 19 GLU H H 20 9.483 8.307 1.176 1
1 145 . 14 1 1 A 19 19 GLU HA H 20 4.244 4.146 0.098 1
1 150 . 14 1 1 A 20 20 TRP H H 21 7.250 7.963 -0.713 1
1 151 . 14 1 1 A 20 20 TRP HA H 21 4.608 4.514 0.094 1
1 160 . 14 1 1 A 21 21 HIS H H 22 8.005 8.370 -0.365 1
1 161 . 14 1 1 A 21 21 HIS HA H 22 3.887 4.351 -0.464 1
1 166 . 14 1 1 A 22 22 ASP H H 23 8.843 8.654 0.189 1
1 167 . 14 1 1 A 22 22 ASP HA H 23 4.364 4.201 0.163 1
1 170 . 14 1 1 A 23 23 ARG H H 24 7.746 7.644 0.102 1
1 171 . 14 1 1 A 23 23 ARG HA H 24 4.203 4.095 0.108 1
1 179 . 14 1 1 A 24 24 LEU H H 25 8.474 8.651 -0.177 1
1 180 . 14 1 1 A 24 24 LEU HA H 25 3.940 3.940 0.000 1
1 190 . 14 1 1 A 25 25 MET H H 26 8.044 8.147 -0.103 1
1 191 . 14 1 1 A 25 25 MET HA H 26 4.205 4.067 0.138 1
1 199 . 14 1 1 A 26 26 GLU H H 27 7.709 7.903 -0.194 1
1 200 . 14 1 1 A 26 26 GLU HA H 27 4.139 4.068 0.071 1
1 205 . 14 1 1 A 27 27 ILE H H 28 7.828 7.739 0.089 1
1 206 . 14 1 1 A 27 27 ILE HA H 28 3.666 3.826 -0.160 1
1 216 . 14 1 1 A 28 28 ALA H H 29 8.459 8.559 -0.100 1
1 217 . 14 1 1 A 28 28 ALA HA H 29 3.610 3.902 -0.292 1
1 221 . 14 1 1 A 29 29 LYS H H 30 8.015 7.672 0.343 1
1 222 . 14 1 1 A 29 29 LYS HA H 30 4.144 4.097 0.047 1
1 234 . 14 1 1 A 30 30 GLU H H 31 8.096 7.712 0.384 1
1 235 . 14 1 1 A 30 30 GLU HA H 31 4.064 4.060 0.004 1
1 240 . 14 1 1 A 31 31 LYS H H 32 8.033 7.920 0.113 1
1 241 . 14 1 1 A 31 31 LYS HA H 32 4.313 4.344 -0.031 1
1 248 . 14 1 1 A 32 32 ASN H H 33 7.959 7.724 0.235 1
1 249 . 14 1 1 A 32 32 ASN HA H 33 4.419 4.246 0.173 1
1 254 . 14 1 1 A 33 33 LEU H H 34 8.538 7.838 0.700 1
1 255 . 14 1 1 A 33 33 LEU HA H 34 4.925 4.905 0.020 1
1 265 . 14 1 1 A 34 34 THR H H 35 8.656 7.994 0.662 1
1 266 . 14 1 1 A 34 34 THR HA H 35 4.608 4.860 -0.252 1
1 271 . 14 1 1 A 35 35 LEU H H 36 9.000 8.857 0.143 1
1 272 . 14 1 1 A 35 35 LEU HA H 36 3.908 3.897 0.011 1
1 282 . 14 1 1 A 36 36 SER H H 37 8.656 8.006 0.650 1
1 283 . 14 1 1 A 36 36 SER HA H 37 4.059 4.056 0.003 1
1 286 . 14 1 1 A 37 37 ASP H H 38 7.984 8.157 -0.173 1
1 287 . 14 1 1 A 37 37 ASP HA H 38 4.355 4.326 0.029 1
1 290 . 14 1 1 A 38 38 VAL H H 39 8.015 8.580 -0.565 1
1 291 . 14 1 1 A 38 38 VAL HA H 39 3.576 3.545 0.031 1
1 299 . 14 1 1 A 39 39 CYS H H 40 8.260 8.172 0.088 1
1 300 . 14 1 1 A 39 39 CYS HA H 40 3.777 4.127 -0.350 1
1 303 . 14 1 1 A 40 40 ARG H H 41 8.206 7.850 0.356 1
1 304 . 14 1 1 A 40 40 ARG HA H 41 4.008 4.111 -0.103 1
1 312 . 14 1 1 A 41 41 LEU H H 42 7.822 8.362 -0.540 1
1 313 . 14 1 1 A 41 41 LEU HA H 42 4.036 4.171 -0.135 1
1 323 . 14 1 1 A 42 42 ALA H H 43 7.741 7.843 -0.102 1
1 324 . 14 1 1 A 42 42 ALA HA H 43 3.699 4.045 -0.346 1
1 328 . 14 1 1 A 43 43 ILE H H 44 8.043 7.697 0.346 1
1 329 . 14 1 1 A 43 43 ILE HA H 44 3.423 3.928 -0.505 1
1 339 . 14 1 1 A 44 44 LYS H H 45 8.432 8.032 0.400 1
1 340 . 14 1 1 A 44 44 LYS HA H 45 3.014 3.998 -0.984 1
1 349 . 14 1 1 A 45 45 GLU H H 46 8.370 7.773 0.597 1
1 350 . 14 1 1 A 45 45 GLU HA H 46 4.002 4.096 -0.094 1
1 355 . 14 1 1 A 46 46 TYR H H 47 7.703 8.133 -0.430 1
1 356 . 14 1 1 A 46 46 TYR HA H 47 4.308 4.235 0.073 1
1 363 . 14 1 1 A 47 47 LEU H H 48 8.432 8.951 -0.519 1
1 364 . 14 1 1 A 47 47 LEU HA H 48 3.709 4.054 -0.345 1
1 374 . 14 1 1 A 48 48 ASP H H 49 8.530 8.126 0.404 1
1 375 . 14 1 1 A 48 48 ASP HA H 49 4.255 4.346 -0.091 1
1 378 . 14 1 1 A 49 49 ASN H H 50 7.934 7.607 0.327 1
1 379 . 14 1 1 A 49 49 ASN HA H 50 4.482 4.596 -0.114 1
1 384 . 14 1 1 A 50 50 HIS H H 51 7.830 7.466 0.364 1
1 385 . 14 1 1 A 50 50 HIS HA H 51 4.424 4.451 -0.027 1
1 390 . 14 1 1 A 51 51 ASP H H 52 8.052 8.143 -0.091 1
1 391 . 14 1 1 A 51 51 ASP HA H 52 4.680 4.180 0.500 1
1 394 . 14 1 1 A 52 52 LYS H H 53 8.069 8.428 -0.359 1
1 395 . 14 1 1 A 52 52 LYS HA H 53 4.220 4.344 -0.124 1
1 404 . 14 1 1 A 53 53 GLN H H 54 8.246 7.209 1.037 1
1 405 . 14 1 1 A 53 53 GLN HA H 54 4.257 4.637 -0.380 1
1 412 . 14 1 1 A 54 54 LYS H H 55 8.200 8.381 -0.181 1
1 413 . 14 1 1 A 54 54 LYS HA H 55 4.266 5.052 -0.786 1
1 3 . 15 1 1 A 2 2 ARG H H 3 8.676 8.406 0.270 1
1 4 . 15 1 1 A 2 2 ARG HA H 3 4.608 4.789 -0.181 1
1 12 . 15 1 1 A 3 3 PRO HA H 4 4.419 4.333 0.086 1
1 19 . 15 1 1 A 4 4 TYR H H 5 8.180 8.423 -0.243 1
1 20 . 15 1 1 A 4 4 TYR HA H 5 4.449 4.756 -0.307 1
1 27 . 15 1 1 A 5 5 LYS H H 6 8.129 7.958 0.171 1
1 28 . 15 1 1 A 5 5 LYS HA H 6 4.135 4.579 -0.444 1
1 37 . 15 1 1 A 6 6 LEU H H 7 7.959 8.104 -0.145 1
1 38 . 15 1 1 A 6 6 LEU HA H 7 4.200 4.603 -0.403 1
1 48 . 15 1 1 A 7 7 LEU H H 8 8.116 8.786 -0.670 1
1 49 . 15 1 1 A 7 7 LEU HA H 8 4.177 3.915 0.262 1
1 59 . 15 1 1 A 8 8 ASN H H 9 8.390 8.578 -0.188 1
1 60 . 15 1 1 A 8 8 ASN HA H 9 4.562 4.382 0.180 1
1 65 . 15 1 1 A 9 9 GLY H H 10 7.889 7.428 0.461 1
1 66 . 15 1 1 A 9 9 GLY HA2 H 10 3.608 4.150 -0.542 1
1 67 . 15 1 1 A 9 9 GLY HA3 H 10 4.077 4.151 -0.074 1
1 68 . 15 1 1 A 10 10 ILE H H 11 8.883 9.147 -0.264 1
1 69 . 15 1 1 A 10 10 ILE HA H 11 4.404 4.825 -0.421 1
1 79 . 15 1 1 A 11 11 LYS H H 12 8.432 8.908 -0.476 1
1 80 . 15 1 1 A 11 11 LYS HA H 12 3.920 5.038 -1.118 1
1 87 . 15 1 1 A 12 12 LEU H H 13 8.896 8.962 -0.066 1
1 88 . 15 1 1 A 12 12 LEU HA H 13 4.500 5.028 -0.528 1
1 98 . 15 1 1 A 13 13 GLY H H 14 8.545 9.116 -0.571 1
1 99 . 15 1 1 A 13 13 GLY HA2 H 14 3.323 4.149 -0.826 1
1 100 . 15 1 1 A 13 13 GLY HA3 H 14 4.918 4.171 0.747 1
1 101 . 15 1 1 A 14 14 VAL H H 15 8.419 9.002 -0.583 1
1 102 . 15 1 1 A 14 14 VAL HA H 15 4.369 4.793 -0.424 1
1 110 . 15 1 1 A 15 15 TYR H H 16 8.680 8.844 -0.164 1
1 111 . 15 1 1 A 15 15 TYR HA H 16 4.963 5.398 -0.435 1
1 118 . 15 1 1 A 16 16 ILE H H 17 8.794 8.807 -0.013 1
1 119 . 15 1 1 A 16 16 ILE HA H 17 4.670 5.017 -0.347 1
1 129 . 15 1 1 A 17 17 PRO HA H 18 4.356 4.475 -0.119 1
1 136 . 15 1 1 A 18 18 GLN H H 19 9.107 8.558 0.549 1
1 137 . 15 1 1 A 18 18 GLN HA H 19 3.772 4.151 -0.379 1
1 144 . 15 1 1 A 19 19 GLU H H 20 9.483 8.252 1.231 1
1 145 . 15 1 1 A 19 19 GLU HA H 20 4.244 4.049 0.195 1
1 150 . 15 1 1 A 20 20 TRP H H 21 7.250 7.610 -0.360 1
1 151 . 15 1 1 A 20 20 TRP HA H 21 4.608 4.583 0.025 1
1 160 . 15 1 1 A 21 21 HIS H H 22 8.005 8.126 -0.121 1
1 161 . 15 1 1 A 21 21 HIS HA H 22 3.887 4.275 -0.388 1
1 166 . 15 1 1 A 22 22 ASP H H 23 8.843 8.736 0.107 1
1 167 . 15 1 1 A 22 22 ASP HA H 23 4.364 4.246 0.118 1
1 170 . 15 1 1 A 23 23 ARG H H 24 7.746 7.821 -0.075 1
1 171 . 15 1 1 A 23 23 ARG HA H 24 4.203 4.118 0.085 1
1 179 . 15 1 1 A 24 24 LEU H H 25 8.474 8.834 -0.360 1
1 180 . 15 1 1 A 24 24 LEU HA H 25 3.940 3.957 -0.017 1
1 190 . 15 1 1 A 25 25 MET H H 26 8.044 7.952 0.092 1
1 191 . 15 1 1 A 25 25 MET HA H 26 4.205 4.176 0.029 1
1 199 . 15 1 1 A 26 26 GLU H H 27 7.709 7.954 -0.245 1
1 200 . 15 1 1 A 26 26 GLU HA H 27 4.139 4.149 -0.010 1
1 205 . 15 1 1 A 27 27 ILE H H 28 7.828 8.257 -0.429 1
1 206 . 15 1 1 A 27 27 ILE HA H 28 3.666 3.780 -0.114 1
1 216 . 15 1 1 A 28 28 ALA H H 29 8.459 8.486 -0.027 1
1 217 . 15 1 1 A 28 28 ALA HA H 29 3.610 3.986 -0.376 1
1 221 . 15 1 1 A 29 29 LYS H H 30 8.015 7.511 0.504 1
1 222 . 15 1 1 A 29 29 LYS HA H 30 4.144 4.092 0.052 1
1 234 . 15 1 1 A 30 30 GLU H H 31 8.096 7.700 0.396 1
1 235 . 15 1 1 A 30 30 GLU HA H 31 4.064 4.067 -0.003 1
1 240 . 15 1 1 A 31 31 LYS H H 32 8.033 7.859 0.174 1
1 241 . 15 1 1 A 31 31 LYS HA H 32 4.313 4.361 -0.048 1
1 248 . 15 1 1 A 32 32 ASN H H 33 7.959 7.633 0.326 1
1 249 . 15 1 1 A 32 32 ASN HA H 33 4.419 4.249 0.170 1
1 254 . 15 1 1 A 33 33 LEU H H 34 8.538 7.817 0.721 1
1 255 . 15 1 1 A 33 33 LEU HA H 34 4.925 4.916 0.009 1
1 265 . 15 1 1 A 34 34 THR H H 35 8.656 8.152 0.504 1
1 266 . 15 1 1 A 34 34 THR HA H 35 4.608 4.851 -0.243 1
1 271 . 15 1 1 A 35 35 LEU H H 36 9.000 8.270 0.730 1
1 272 . 15 1 1 A 35 35 LEU HA H 36 3.908 3.795 0.113 1
1 282 . 15 1 1 A 36 36 SER H H 37 8.656 7.923 0.733 1
1 283 . 15 1 1 A 36 36 SER HA H 37 4.059 4.010 0.049 1
1 286 . 15 1 1 A 37 37 ASP H H 38 7.984 7.887 0.097 1
1 287 . 15 1 1 A 37 37 ASP HA H 38 4.355 4.277 0.078 1
1 290 . 15 1 1 A 38 38 VAL H H 39 8.015 8.100 -0.085 1
1 291 . 15 1 1 A 38 38 VAL HA H 39 3.576 3.509 0.067 1
1 299 . 15 1 1 A 39 39 CYS H H 40 8.260 8.266 -0.006 1
1 300 . 15 1 1 A 39 39 CYS HA H 40 3.777 4.010 -0.233 1
1 303 . 15 1 1 A 40 40 ARG H H 41 8.206 7.927 0.279 1
1 304 . 15 1 1 A 40 40 ARG HA H 41 4.008 4.037 -0.029 1
1 312 . 15 1 1 A 41 41 LEU H H 42 7.822 8.638 -0.816 1
1 313 . 15 1 1 A 41 41 LEU HA H 42 4.036 4.116 -0.080 1
1 323 . 15 1 1 A 42 42 ALA H H 43 7.741 7.807 -0.066 1
1 324 . 15 1 1 A 42 42 ALA HA H 43 3.699 4.034 -0.335 1
1 328 . 15 1 1 A 43 43 ILE H H 44 8.043 7.573 0.470 1
1 329 . 15 1 1 A 43 43 ILE HA H 44 3.423 3.584 -0.161 1
1 339 . 15 1 1 A 44 44 LYS H H 45 8.432 8.167 0.265 1
1 340 . 15 1 1 A 44 44 LYS HA H 45 3.014 3.973 -0.959 1
1 349 . 15 1 1 A 45 45 GLU H H 46 8.370 7.890 0.480 1
1 350 . 15 1 1 A 45 45 GLU HA H 46 4.002 4.045 -0.043 1
1 355 . 15 1 1 A 46 46 TYR H H 47 7.703 8.158 -0.455 1
1 356 . 15 1 1 A 46 46 TYR HA H 47 4.308 4.024 0.284 1
1 363 . 15 1 1 A 47 47 LEU H H 48 8.432 8.800 -0.368 1
1 364 . 15 1 1 A 47 47 LEU HA H 48 3.709 3.888 -0.179 1
1 374 . 15 1 1 A 48 48 ASP H H 49 8.530 8.628 -0.098 1
1 375 . 15 1 1 A 48 48 ASP HA H 49 4.255 4.371 -0.116 1
1 378 . 15 1 1 A 49 49 ASN H H 50 7.934 8.500 -0.566 1
1 379 . 15 1 1 A 49 49 ASN HA H 50 4.482 4.549 -0.067 1
1 384 . 15 1 1 A 50 50 HIS H H 51 7.830 7.583 0.247 1
1 385 . 15 1 1 A 50 50 HIS HA H 51 4.424 4.342 0.082 1
1 390 . 15 1 1 A 51 51 ASP H H 52 8.052 8.276 -0.224 1
1 391 . 15 1 1 A 51 51 ASP HA H 52 4.680 4.815 -0.135 1
1 394 . 15 1 1 A 52 52 LYS H H 53 8.069 7.786 0.283 1
1 395 . 15 1 1 A 52 52 LYS HA H 53 4.220 4.155 0.065 1
1 404 . 15 1 1 A 53 53 GLN H H 54 8.246 7.662 0.584 1
1 405 . 15 1 1 A 53 53 GLN HA H 54 4.257 4.373 -0.116 1
1 412 . 15 1 1 A 54 54 LYS H H 55 8.200 7.856 0.344 1
1 413 . 15 1 1 A 54 54 LYS HA H 55 4.266 4.614 -0.348 1
1 3 . 16 1 1 A 2 2 ARG H H 3 8.676 8.414 0.262 1
1 4 . 16 1 1 A 2 2 ARG HA H 3 4.608 4.736 -0.128 1
1 12 . 16 1 1 A 3 3 PRO HA H 4 4.419 4.321 0.098 1
1 19 . 16 1 1 A 4 4 TYR H H 5 8.180 7.926 0.254 1
1 20 . 16 1 1 A 4 4 TYR HA H 5 4.449 4.126 0.323 1
1 27 . 16 1 1 A 5 5 LYS H H 6 8.129 8.571 -0.442 1
1 28 . 16 1 1 A 5 5 LYS HA H 6 4.135 4.620 -0.485 1
1 37 . 16 1 1 A 6 6 LEU H H 7 7.959 8.271 -0.312 1
1 38 . 16 1 1 A 6 6 LEU HA H 7 4.200 4.667 -0.467 1
1 48 . 16 1 1 A 7 7 LEU H H 8 8.116 8.710 -0.594 1
1 49 . 16 1 1 A 7 7 LEU HA H 8 4.177 4.525 -0.348 1
1 59 . 16 1 1 A 8 8 ASN H H 9 8.390 8.077 0.313 1
1 60 . 16 1 1 A 8 8 ASN HA H 9 4.562 4.341 0.221 1
1 65 . 16 1 1 A 9 9 GLY H H 10 7.889 8.503 -0.614 1
1 66 . 16 1 1 A 9 9 GLY HA2 H 10 3.608 4.020 -0.412 1
1 67 . 16 1 1 A 9 9 GLY HA3 H 10 4.077 4.021 0.056 1
1 68 . 16 1 1 A 10 10 ILE H H 11 8.883 9.247 -0.364 1
1 69 . 16 1 1 A 10 10 ILE HA H 11 4.404 4.895 -0.491 1
1 79 . 16 1 1 A 11 11 LYS H H 12 8.432 8.839 -0.407 1
1 80 . 16 1 1 A 11 11 LYS HA H 12 3.920 5.113 -1.193 1
1 87 . 16 1 1 A 12 12 LEU H H 13 8.896 8.954 -0.058 1
1 88 . 16 1 1 A 12 12 LEU HA H 13 4.500 5.127 -0.627 1
1 98 . 16 1 1 A 13 13 GLY H H 14 8.545 9.069 -0.524 1
1 99 . 16 1 1 A 13 13 GLY HA2 H 14 3.323 4.178 -0.855 1
1 100 . 16 1 1 A 13 13 GLY HA3 H 14 4.918 4.198 0.720 1
1 101 . 16 1 1 A 14 14 VAL H H 15 8.419 8.895 -0.476 1
1 102 . 16 1 1 A 14 14 VAL HA H 15 4.369 4.887 -0.518 1
1 110 . 16 1 1 A 15 15 TYR H H 16 8.680 9.047 -0.367 1
1 111 . 16 1 1 A 15 15 TYR HA H 16 4.963 5.216 -0.253 1
1 118 . 16 1 1 A 16 16 ILE H H 17 8.794 8.913 -0.119 1
1 119 . 16 1 1 A 16 16 ILE HA H 17 4.670 4.952 -0.282 1
1 129 . 16 1 1 A 17 17 PRO HA H 18 4.356 4.560 -0.204 1
1 136 . 16 1 1 A 18 18 GLN H H 19 9.107 8.633 0.474 1
1 137 . 16 1 1 A 18 18 GLN HA H 19 3.772 4.109 -0.337 1
1 144 . 16 1 1 A 19 19 GLU H H 20 9.483 8.250 1.233 1
1 145 . 16 1 1 A 19 19 GLU HA H 20 4.244 4.135 0.109 1
1 150 . 16 1 1 A 20 20 TRP H H 21 7.250 7.664 -0.414 1
1 151 . 16 1 1 A 20 20 TRP HA H 21 4.608 4.508 0.100 1
1 160 . 16 1 1 A 21 21 HIS H H 22 8.005 8.388 -0.383 1
1 161 . 16 1 1 A 21 21 HIS HA H 22 3.887 4.223 -0.336 1
1 166 . 16 1 1 A 22 22 ASP H H 23 8.843 8.732 0.111 1
1 167 . 16 1 1 A 22 22 ASP HA H 23 4.364 4.248 0.116 1
1 170 . 16 1 1 A 23 23 ARG H H 24 7.746 7.734 0.012 1
1 171 . 16 1 1 A 23 23 ARG HA H 24 4.203 4.090 0.113 1
1 179 . 16 1 1 A 24 24 LEU H H 25 8.474 8.485 -0.011 1
1 180 . 16 1 1 A 24 24 LEU HA H 25 3.940 3.884 0.056 1
1 190 . 16 1 1 A 25 25 MET H H 26 8.044 8.318 -0.274 1
1 191 . 16 1 1 A 25 25 MET HA H 26 4.205 4.168 0.037 1
1 199 . 16 1 1 A 26 26 GLU H H 27 7.709 7.907 -0.198 1
1 200 . 16 1 1 A 26 26 GLU HA H 27 4.139 4.162 -0.023 1
1 205 . 16 1 1 A 27 27 ILE H H 28 7.828 8.110 -0.282 1
1 206 . 16 1 1 A 27 27 ILE HA H 28 3.666 3.760 -0.094 1
1 216 . 16 1 1 A 28 28 ALA H H 29 8.459 8.328 0.131 1
1 217 . 16 1 1 A 28 28 ALA HA H 29 3.610 4.069 -0.459 1
1 221 . 16 1 1 A 29 29 LYS H H 30 8.015 7.490 0.525 1
1 222 . 16 1 1 A 29 29 LYS HA H 30 4.144 4.136 0.008 1
1 234 . 16 1 1 A 30 30 GLU H H 31 8.096 7.779 0.317 1
1 235 . 16 1 1 A 30 30 GLU HA H 31 4.064 4.105 -0.041 1
1 240 . 16 1 1 A 31 31 LYS H H 32 8.033 7.786 0.247 1
1 241 . 16 1 1 A 31 31 LYS HA H 32 4.313 4.347 -0.034 1
1 248 . 16 1 1 A 32 32 ASN H H 33 7.959 8.199 -0.240 1
1 249 . 16 1 1 A 32 32 ASN HA H 33 4.419 4.448 -0.029 1
1 254 . 16 1 1 A 33 33 LEU H H 34 8.538 7.733 0.805 1
1 255 . 16 1 1 A 33 33 LEU HA H 34 4.925 4.895 0.030 1
1 265 . 16 1 1 A 34 34 THR H H 35 8.656 8.247 0.409 1
1 266 . 16 1 1 A 34 34 THR HA H 35 4.608 4.844 -0.236 1
1 271 . 16 1 1 A 35 35 LEU H H 36 9.000 8.402 0.598 1
1 272 . 16 1 1 A 35 35 LEU HA H 36 3.908 3.801 0.107 1
1 282 . 16 1 1 A 36 36 SER H H 37 8.656 7.887 0.769 1
1 283 . 16 1 1 A 36 36 SER HA H 37 4.059 4.008 0.051 1
1 286 . 16 1 1 A 37 37 ASP H H 38 7.984 8.084 -0.100 1
1 287 . 16 1 1 A 37 37 ASP HA H 38 4.355 4.339 0.016 1
1 290 . 16 1 1 A 38 38 VAL H H 39 8.015 7.934 0.081 1
1 291 . 16 1 1 A 38 38 VAL HA H 39 3.576 3.500 0.076 1
1 299 . 16 1 1 A 39 39 CYS H H 40 8.260 7.915 0.345 1
1 300 . 16 1 1 A 39 39 CYS HA H 40 3.777 3.988 -0.211 1
1 303 . 16 1 1 A 40 40 ARG H H 41 8.206 7.744 0.462 1
1 304 . 16 1 1 A 40 40 ARG HA H 41 4.008 4.055 -0.047 1
1 312 . 16 1 1 A 41 41 LEU H H 42 7.822 8.394 -0.572 1
1 313 . 16 1 1 A 41 41 LEU HA H 42 4.036 4.117 -0.081 1
1 323 . 16 1 1 A 42 42 ALA H H 43 7.741 7.912 -0.171 1
1 324 . 16 1 1 A 42 42 ALA HA H 43 3.699 4.052 -0.353 1
1 328 . 16 1 1 A 43 43 ILE H H 44 8.043 7.855 0.188 1
1 329 . 16 1 1 A 43 43 ILE HA H 44 3.423 3.637 -0.214 1
1 339 . 16 1 1 A 44 44 LYS H H 45 8.432 7.799 0.633 1
1 340 . 16 1 1 A 44 44 LYS HA H 45 3.014 3.965 -0.951 1
1 349 . 16 1 1 A 45 45 GLU H H 46 8.370 7.728 0.642 1
1 350 . 16 1 1 A 45 45 GLU HA H 46 4.002 4.092 -0.090 1
1 355 . 16 1 1 A 46 46 TYR H H 47 7.703 8.120 -0.417 1
1 356 . 16 1 1 A 46 46 TYR HA H 47 4.308 4.309 -0.001 1
1 363 . 16 1 1 A 47 47 LEU H H 48 8.432 8.828 -0.396 1
1 364 . 16 1 1 A 47 47 LEU HA H 48 3.709 3.886 -0.177 1
1 374 . 16 1 1 A 48 48 ASP H H 49 8.530 8.134 0.396 1
1 375 . 16 1 1 A 48 48 ASP HA H 49 4.255 4.267 -0.012 1
1 378 . 16 1 1 A 49 49 ASN H H 50 7.934 8.014 -0.080 1
1 379 . 16 1 1 A 49 49 ASN HA H 50 4.482 4.542 -0.060 1
1 384 . 16 1 1 A 50 50 HIS H H 51 7.830 7.451 0.379 1
1 385 . 16 1 1 A 50 50 HIS HA H 51 4.424 4.507 -0.083 1
1 390 . 16 1 1 A 51 51 ASP H H 52 8.052 7.750 0.302 1
1 391 . 16 1 1 A 51 51 ASP HA H 52 4.680 4.493 0.187 1
1 394 . 16 1 1 A 52 52 LYS H H 53 8.069 8.872 -0.803 1
1 395 . 16 1 1 A 52 52 LYS HA H 53 4.220 4.207 0.013 1
1 404 . 16 1 1 A 53 53 GLN H H 54 8.246 7.581 0.665 1
1 405 . 16 1 1 A 53 53 GLN HA H 54 4.257 4.447 -0.190 1
1 412 . 16 1 1 A 54 54 LYS H H 55 8.200 8.630 -0.430 1
1 413 . 16 1 1 A 54 54 LYS HA H 55 4.266 4.859 -0.593 1
1 3 . 17 1 1 A 2 2 ARG H H 3 8.676 8.310 0.366 1
1 4 . 17 1 1 A 2 2 ARG HA H 3 4.608 4.832 -0.224 1
1 12 . 17 1 1 A 3 3 PRO HA H 4 4.419 4.448 -0.029 1
1 19 . 17 1 1 A 4 4 TYR H H 5 8.180 8.249 -0.069 1
1 20 . 17 1 1 A 4 4 TYR HA H 5 4.449 4.463 -0.014 1
1 27 . 17 1 1 A 5 5 LYS H H 6 8.129 8.955 -0.826 1
1 28 . 17 1 1 A 5 5 LYS HA H 6 4.135 3.936 0.199 1
1 37 . 17 1 1 A 6 6 LEU H H 7 7.959 8.403 -0.444 1
1 38 . 17 1 1 A 6 6 LEU HA H 7 4.200 4.499 -0.299 1
1 48 . 17 1 1 A 7 7 LEU H H 8 8.116 9.289 -1.173 1
1 49 . 17 1 1 A 7 7 LEU HA H 8 4.177 4.022 0.155 1
1 59 . 17 1 1 A 8 8 ASN H H 9 8.390 8.371 0.019 1
1 60 . 17 1 1 A 8 8 ASN HA H 9 4.562 4.453 0.109 1
1 65 . 17 1 1 A 9 9 GLY H H 10 7.889 7.669 0.220 1
1 66 . 17 1 1 A 9 9 GLY HA2 H 10 3.608 4.207 -0.599 1
1 67 . 17 1 1 A 9 9 GLY HA3 H 10 4.077 4.207 -0.130 1
1 68 . 17 1 1 A 10 10 ILE H H 11 8.883 9.219 -0.336 1
1 69 . 17 1 1 A 10 10 ILE HA H 11 4.404 4.863 -0.459 1
1 79 . 17 1 1 A 11 11 LYS H H 12 8.432 8.676 -0.244 1
1 80 . 17 1 1 A 11 11 LYS HA H 12 3.920 5.025 -1.105 1
1 87 . 17 1 1 A 12 12 LEU H H 13 8.896 8.921 -0.025 1
1 88 . 17 1 1 A 12 12 LEU HA H 13 4.500 5.022 -0.522 1
1 98 . 17 1 1 A 13 13 GLY H H 14 8.545 9.144 -0.599 1
1 99 . 17 1 1 A 13 13 GLY HA2 H 14 3.323 4.124 -0.801 1
1 100 . 17 1 1 A 13 13 GLY HA3 H 14 4.918 4.136 0.782 1
1 101 . 17 1 1 A 14 14 VAL H H 15 8.419 9.051 -0.632 1
1 102 . 17 1 1 A 14 14 VAL HA H 15 4.369 4.734 -0.365 1
1 110 . 17 1 1 A 15 15 TYR H H 16 8.680 8.862 -0.182 1
1 111 . 17 1 1 A 15 15 TYR HA H 16 4.963 5.221 -0.258 1
1 118 . 17 1 1 A 16 16 ILE H H 17 8.794 8.700 0.094 1
1 119 . 17 1 1 A 16 16 ILE HA H 17 4.670 4.456 0.214 1
1 129 . 17 1 1 A 17 17 PRO HA H 18 4.356 4.462 -0.106 1
1 136 . 17 1 1 A 18 18 GLN H H 19 9.107 9.029 0.078 1
1 137 . 17 1 1 A 18 18 GLN HA H 19 3.772 4.050 -0.278 1
1 144 . 17 1 1 A 19 19 GLU H H 20 9.483 8.448 1.035 1
1 145 . 17 1 1 A 19 19 GLU HA H 20 4.244 4.127 0.117 1
1 150 . 17 1 1 A 20 20 TRP H H 21 7.250 8.139 -0.889 1
1 151 . 17 1 1 A 20 20 TRP HA H 21 4.608 4.458 0.150 1
1 160 . 17 1 1 A 21 21 HIS H H 22 8.005 8.295 -0.290 1
1 161 . 17 1 1 A 21 21 HIS HA H 22 3.887 4.305 -0.418 1
1 166 . 17 1 1 A 22 22 ASP H H 23 8.843 8.786 0.057 1
1 167 . 17 1 1 A 22 22 ASP HA H 23 4.364 4.248 0.116 1
1 170 . 17 1 1 A 23 23 ARG H H 24 7.746 7.783 -0.037 1
1 171 . 17 1 1 A 23 23 ARG HA H 24 4.203 4.080 0.123 1
1 179 . 17 1 1 A 24 24 LEU H H 25 8.474 8.600 -0.126 1
1 180 . 17 1 1 A 24 24 LEU HA H 25 3.940 3.940 0.000 1
1 190 . 17 1 1 A 25 25 MET H H 26 8.044 7.845 0.199 1
1 191 . 17 1 1 A 25 25 MET HA H 26 4.205 3.967 0.238 1
1 199 . 17 1 1 A 26 26 GLU H H 27 7.709 7.565 0.144 1
1 200 . 17 1 1 A 26 26 GLU HA H 27 4.139 4.069 0.070 1
1 205 . 17 1 1 A 27 27 ILE H H 28 7.828 8.317 -0.489 1
1 206 . 17 1 1 A 27 27 ILE HA H 28 3.666 3.736 -0.070 1
1 216 . 17 1 1 A 28 28 ALA H H 29 8.459 8.376 0.083 1
1 217 . 17 1 1 A 28 28 ALA HA H 29 3.610 4.004 -0.394 1
1 221 . 17 1 1 A 29 29 LYS H H 30 8.015 7.489 0.526 1
1 222 . 17 1 1 A 29 29 LYS HA H 30 4.144 4.133 0.011 1
1 234 . 17 1 1 A 30 30 GLU H H 31 8.096 7.888 0.208 1
1 235 . 17 1 1 A 30 30 GLU HA H 31 4.064 4.094 -0.030 1
1 240 . 17 1 1 A 31 31 LYS H H 32 8.033 7.482 0.551 1
1 241 . 17 1 1 A 31 31 LYS HA H 32 4.313 4.362 -0.049 1
1 248 . 17 1 1 A 32 32 ASN H H 33 7.959 7.979 -0.020 1
1 249 . 17 1 1 A 32 32 ASN HA H 33 4.419 4.242 0.177 1
1 254 . 17 1 1 A 33 33 LEU H H 34 8.538 7.606 0.932 1
1 255 . 17 1 1 A 33 33 LEU HA H 34 4.925 4.904 0.021 1
1 265 . 17 1 1 A 34 34 THR H H 35 8.656 8.410 0.246 1
1 266 . 17 1 1 A 34 34 THR HA H 35 4.608 4.857 -0.249 1
1 271 . 17 1 1 A 35 35 LEU H H 36 9.000 8.867 0.133 1
1 272 . 17 1 1 A 35 35 LEU HA H 36 3.908 3.870 0.038 1
1 282 . 17 1 1 A 36 36 SER H H 37 8.656 7.960 0.696 1
1 283 . 17 1 1 A 36 36 SER HA H 37 4.059 4.024 0.035 1
1 286 . 17 1 1 A 37 37 ASP H H 38 7.984 7.917 0.067 1
1 287 . 17 1 1 A 37 37 ASP HA H 38 4.355 4.314 0.041 1
1 290 . 17 1 1 A 38 38 VAL H H 39 8.015 8.129 -0.114 1
1 291 . 17 1 1 A 38 38 VAL HA H 39 3.576 3.596 -0.020 1
1 299 . 17 1 1 A 39 39 CYS H H 40 8.260 8.087 0.173 1
1 300 . 17 1 1 A 39 39 CYS HA H 40 3.777 4.119 -0.342 1
1 303 . 17 1 1 A 40 40 ARG H H 41 8.206 7.870 0.336 1
1 304 . 17 1 1 A 40 40 ARG HA H 41 4.008 4.082 -0.074 1
1 312 . 17 1 1 A 41 41 LEU H H 42 7.822 8.426 -0.604 1
1 313 . 17 1 1 A 41 41 LEU HA H 42 4.036 4.153 -0.117 1
1 323 . 17 1 1 A 42 42 ALA H H 43 7.741 7.855 -0.114 1
1 324 . 17 1 1 A 42 42 ALA HA H 43 3.699 4.044 -0.345 1
1 328 . 17 1 1 A 43 43 ILE H H 44 8.043 7.598 0.445 1
1 329 . 17 1 1 A 43 43 ILE HA H 44 3.423 3.836 -0.413 1
1 339 . 17 1 1 A 44 44 LYS H H 45 8.432 7.952 0.480 1
1 340 . 17 1 1 A 44 44 LYS HA H 45 3.014 4.019 -1.005 1
1 349 . 17 1 1 A 45 45 GLU H H 46 8.370 7.697 0.673 1
1 350 . 17 1 1 A 45 45 GLU HA H 46 4.002 4.097 -0.095 1
1 355 . 17 1 1 A 46 46 TYR H H 47 7.703 7.989 -0.286 1
1 356 . 17 1 1 A 46 46 TYR HA H 47 4.308 4.177 0.131 1
1 363 . 17 1 1 A 47 47 LEU H H 48 8.432 8.769 -0.337 1
1 364 . 17 1 1 A 47 47 LEU HA H 48 3.709 3.901 -0.192 1
1 374 . 17 1 1 A 48 48 ASP H H 49 8.530 8.141 0.389 1
1 375 . 17 1 1 A 48 48 ASP HA H 49 4.255 4.275 -0.020 1
1 378 . 17 1 1 A 49 49 ASN H H 50 7.934 7.840 0.094 1
1 379 . 17 1 1 A 49 49 ASN HA H 50 4.482 4.608 -0.126 1
1 384 . 17 1 1 A 50 50 HIS H H 51 7.830 7.569 0.261 1
1 385 . 17 1 1 A 50 50 HIS HA H 51 4.424 4.403 0.021 1
1 390 . 17 1 1 A 51 51 ASP H H 52 8.052 7.585 0.467 1
1 391 . 17 1 1 A 51 51 ASP HA H 52 4.680 4.584 0.096 1
1 394 . 17 1 1 A 52 52 LYS H H 53 8.069 8.621 -0.552 1
1 395 . 17 1 1 A 52 52 LYS HA H 53 4.220 4.163 0.057 1
1 404 . 17 1 1 A 53 53 GLN H H 54 8.246 7.838 0.408 1
1 405 . 17 1 1 A 53 53 GLN HA H 54 4.257 4.110 0.147 1
1 412 . 17 1 1 A 54 54 LYS H H 55 8.200 8.642 -0.442 1
1 413 . 17 1 1 A 54 54 LYS HA H 55 4.266 4.410 -0.144 1
1 3 . 18 1 1 A 2 2 ARG H H 3 8.676 8.469 0.207 1
1 4 . 18 1 1 A 2 2 ARG HA H 3 4.608 4.532 0.076 1
1 12 . 18 1 1 A 3 3 PRO HA H 4 4.419 4.541 -0.122 1
1 19 . 18 1 1 A 4 4 TYR H H 5 8.180 8.070 0.110 1
1 20 . 18 1 1 A 4 4 TYR HA H 5 4.449 4.264 0.185 1
1 27 . 18 1 1 A 5 5 LYS H H 6 8.129 8.181 -0.052 1
1 28 . 18 1 1 A 5 5 LYS HA H 6 4.135 4.215 -0.080 1
1 37 . 18 1 1 A 6 6 LEU H H 7 7.959 7.838 0.121 1
1 38 . 18 1 1 A 6 6 LEU HA H 7 4.200 4.231 -0.031 1
1 48 . 18 1 1 A 7 7 LEU H H 8 8.116 7.660 0.456 1
1 49 . 18 1 1 A 7 7 LEU HA H 8 4.177 4.322 -0.145 1
1 59 . 18 1 1 A 8 8 ASN H H 9 8.390 7.824 0.566 1
1 60 . 18 1 1 A 8 8 ASN HA H 9 4.562 4.782 -0.220 1
1 65 . 18 1 1 A 9 9 GLY H H 10 7.889 8.519 -0.630 1
1 66 . 18 1 1 A 9 9 GLY HA2 H 10 3.608 4.300 -0.692 1
1 67 . 18 1 1 A 9 9 GLY HA3 H 10 4.077 4.303 -0.226 1
1 68 . 18 1 1 A 10 10 ILE H H 11 8.883 8.779 0.104 1
1 69 . 18 1 1 A 10 10 ILE HA H 11 4.404 4.954 -0.550 1
1 79 . 18 1 1 A 11 11 LYS H H 12 8.432 8.616 -0.184 1
1 80 . 18 1 1 A 11 11 LYS HA H 12 3.920 4.904 -0.984 1
1 87 . 18 1 1 A 12 12 LEU H H 13 8.896 8.898 -0.002 1
1 88 . 18 1 1 A 12 12 LEU HA H 13 4.500 5.265 -0.765 1
1 98 . 18 1 1 A 13 13 GLY H H 14 8.545 8.583 -0.038 1
1 99 . 18 1 1 A 13 13 GLY HA2 H 14 3.323 4.246 -0.923 1
1 100 . 18 1 1 A 13 13 GLY HA3 H 14 4.918 4.261 0.657 1
1 101 . 18 1 1 A 14 14 VAL H H 15 8.419 8.981 -0.562 1
1 102 . 18 1 1 A 14 14 VAL HA H 15 4.369 4.961 -0.592 1
1 110 . 18 1 1 A 15 15 TYR H H 16 8.680 8.922 -0.242 1
1 111 . 18 1 1 A 15 15 TYR HA H 16 4.963 5.133 -0.170 1
1 118 . 18 1 1 A 16 16 ILE H H 17 8.794 8.611 0.183 1
1 119 . 18 1 1 A 16 16 ILE HA H 17 4.670 4.523 0.147 1
1 129 . 18 1 1 A 17 17 PRO HA H 18 4.356 4.462 -0.106 1
1 136 . 18 1 1 A 18 18 GLN H H 19 9.107 8.548 0.559 1
1 137 . 18 1 1 A 18 18 GLN HA H 19 3.772 3.944 -0.172 1
1 144 . 18 1 1 A 19 19 GLU H H 20 9.483 8.421 1.062 1
1 145 . 18 1 1 A 19 19 GLU HA H 20 4.244 4.114 0.130 1
1 150 . 18 1 1 A 20 20 TRP H H 21 7.250 8.101 -0.851 1
1 151 . 18 1 1 A 20 20 TRP HA H 21 4.608 4.532 0.076 1
1 160 . 18 1 1 A 21 21 HIS H H 22 8.005 8.175 -0.170 1
1 161 . 18 1 1 A 21 21 HIS HA H 22 3.887 4.231 -0.344 1
1 166 . 18 1 1 A 22 22 ASP H H 23 8.843 8.857 -0.014 1
1 167 . 18 1 1 A 22 22 ASP HA H 23 4.364 4.228 0.136 1
1 170 . 18 1 1 A 23 23 ARG H H 24 7.746 7.770 -0.024 1
1 171 . 18 1 1 A 23 23 ARG HA H 24 4.203 4.113 0.090 1
1 179 . 18 1 1 A 24 24 LEU H H 25 8.474 8.082 0.392 1
1 180 . 18 1 1 A 24 24 LEU HA H 25 3.940 4.008 -0.068 1
1 190 . 18 1 1 A 25 25 MET H H 26 8.044 7.946 0.098 1
1 191 . 18 1 1 A 25 25 MET HA H 26 4.205 4.226 -0.021 1
1 199 . 18 1 1 A 26 26 GLU H H 27 7.709 7.925 -0.216 1
1 200 . 18 1 1 A 26 26 GLU HA H 27 4.139 4.096 0.043 1
1 205 . 18 1 1 A 27 27 ILE H H 28 7.828 7.955 -0.127 1
1 206 . 18 1 1 A 27 27 ILE HA H 28 3.666 3.764 -0.098 1
1 216 . 18 1 1 A 28 28 ALA H H 29 8.459 8.445 0.014 1
1 217 . 18 1 1 A 28 28 ALA HA H 29 3.610 3.990 -0.380 1
1 221 . 18 1 1 A 29 29 LYS H H 30 8.015 7.474 0.541 1
1 222 . 18 1 1 A 29 29 LYS HA H 30 4.144 4.144 0.000 1
1 234 . 18 1 1 A 30 30 GLU H H 31 8.096 7.711 0.385 1
1 235 . 18 1 1 A 30 30 GLU HA H 31 4.064 4.049 0.015 1
1 240 . 18 1 1 A 31 31 LYS H H 32 8.033 7.729 0.304 1
1 241 . 18 1 1 A 31 31 LYS HA H 32 4.313 4.359 -0.046 1
1 248 . 18 1 1 A 32 32 ASN H H 33 7.959 7.716 0.243 1
1 249 . 18 1 1 A 32 32 ASN HA H 33 4.419 4.250 0.169 1
1 254 . 18 1 1 A 33 33 LEU H H 34 8.538 7.852 0.686 1
1 255 . 18 1 1 A 33 33 LEU HA H 34 4.925 4.869 0.056 1
1 265 . 18 1 1 A 34 34 THR H H 35 8.656 8.600 0.056 1
1 266 . 18 1 1 A 34 34 THR HA H 35 4.608 4.757 -0.149 1
1 271 . 18 1 1 A 35 35 LEU H H 36 9.000 8.842 0.158 1
1 272 . 18 1 1 A 35 35 LEU HA H 36 3.908 3.886 0.022 1
1 282 . 18 1 1 A 36 36 SER H H 37 8.656 7.925 0.731 1
1 283 . 18 1 1 A 36 36 SER HA H 37 4.059 4.063 -0.004 1
1 286 . 18 1 1 A 37 37 ASP H H 38 7.984 8.279 -0.295 1
1 287 . 18 1 1 A 37 37 ASP HA H 38 4.355 4.351 0.004 1
1 290 . 18 1 1 A 38 38 VAL H H 39 8.015 8.605 -0.590 1
1 291 . 18 1 1 A 38 38 VAL HA H 39 3.576 3.527 0.049 1
1 299 . 18 1 1 A 39 39 CYS H H 40 8.260 8.573 -0.313 1
1 300 . 18 1 1 A 39 39 CYS HA H 40 3.777 4.133 -0.356 1
1 303 . 18 1 1 A 40 40 ARG H H 41 8.206 7.971 0.235 1
1 304 . 18 1 1 A 40 40 ARG HA H 41 4.008 4.126 -0.118 1
1 312 . 18 1 1 A 41 41 LEU H H 42 7.822 8.649 -0.827 1
1 313 . 18 1 1 A 41 41 LEU HA H 42 4.036 4.155 -0.119 1
1 323 . 18 1 1 A 42 42 ALA H H 43 7.741 7.863 -0.122 1
1 324 . 18 1 1 A 42 42 ALA HA H 43 3.699 4.070 -0.371 1
1 328 . 18 1 1 A 43 43 ILE H H 44 8.043 7.717 0.326 1
1 329 . 18 1 1 A 43 43 ILE HA H 44 3.423 3.835 -0.412 1
1 339 . 18 1 1 A 44 44 LYS H H 45 8.432 7.751 0.681 1
1 340 . 18 1 1 A 44 44 LYS HA H 45 3.014 3.983 -0.969 1
1 349 . 18 1 1 A 45 45 GLU H H 46 8.370 7.825 0.545 1
1 350 . 18 1 1 A 45 45 GLU HA H 46 4.002 4.107 -0.105 1
1 355 . 18 1 1 A 46 46 TYR H H 47 7.703 8.289 -0.586 1
1 356 . 18 1 1 A 46 46 TYR HA H 47 4.308 4.282 0.026 1
1 363 . 18 1 1 A 47 47 LEU H H 48 8.432 8.486 -0.054 1
1 364 . 18 1 1 A 47 47 LEU HA H 48 3.709 3.893 -0.184 1
1 374 . 18 1 1 A 48 48 ASP H H 49 8.530 8.415 0.115 1
1 375 . 18 1 1 A 48 48 ASP HA H 49 4.255 4.393 -0.138 1
1 378 . 18 1 1 A 49 49 ASN H H 50 7.934 8.171 -0.237 1
1 379 . 18 1 1 A 49 49 ASN HA H 50 4.482 4.464 0.018 1
1 384 . 18 1 1 A 50 50 HIS H H 51 7.830 7.638 0.192 1
1 385 . 18 1 1 A 50 50 HIS HA H 51 4.424 4.351 0.073 1
1 390 . 18 1 1 A 51 51 ASP H H 52 8.052 7.833 0.219 1
1 391 . 18 1 1 A 51 51 ASP HA H 52 4.680 4.601 0.079 1
1 394 . 18 1 1 A 52 52 LYS H H 53 8.069 8.022 0.047 1
1 395 . 18 1 1 A 52 52 LYS HA H 53 4.220 4.041 0.179 1
1 404 . 18 1 1 A 53 53 GLN H H 54 8.246 7.734 0.512 1
1 405 . 18 1 1 A 53 53 GLN HA H 54 4.257 4.129 0.128 1
1 412 . 18 1 1 A 54 54 LYS H H 55 8.200 8.310 -0.110 1
1 413 . 18 1 1 A 54 54 LYS HA H 55 4.266 4.241 0.025 1
1 3 . 19 1 1 A 2 2 ARG H H 3 8.676 8.928 -0.252 1
1 4 . 19 1 1 A 2 2 ARG HA H 3 4.608 3.887 0.721 1
1 12 . 19 1 1 A 3 3 PRO HA H 4 4.419 4.416 0.003 1
1 19 . 19 1 1 A 4 4 TYR H H 5 8.180 8.565 -0.385 1
1 20 . 19 1 1 A 4 4 TYR HA H 5 4.449 4.351 0.098 1
1 27 . 19 1 1 A 5 5 LYS H H 6 8.129 7.838 0.291 1
1 28 . 19 1 1 A 5 5 LYS HA H 6 4.135 4.196 -0.061 1
1 37 . 19 1 1 A 6 6 LEU H H 7 7.959 7.861 0.098 1
1 38 . 19 1 1 A 6 6 LEU HA H 7 4.200 3.966 0.234 1
1 48 . 19 1 1 A 7 7 LEU H H 8 8.116 7.801 0.315 1
1 49 . 19 1 1 A 7 7 LEU HA H 8 4.177 4.628 -0.451 1
1 59 . 19 1 1 A 8 8 ASN H H 9 8.390 7.844 0.546 1
1 60 . 19 1 1 A 8 8 ASN HA H 9 4.562 4.379 0.183 1
1 65 . 19 1 1 A 9 9 GLY H H 10 7.889 7.337 0.552 1
1 66 . 19 1 1 A 9 9 GLY HA2 H 10 3.608 4.045 -0.437 1
1 67 . 19 1 1 A 9 9 GLY HA3 H 10 4.077 4.048 0.029 1
1 68 . 19 1 1 A 10 10 ILE H H 11 8.883 8.551 0.332 1
1 69 . 19 1 1 A 10 10 ILE HA H 11 4.404 4.954 -0.550 1
1 79 . 19 1 1 A 11 11 LYS H H 12 8.432 8.837 -0.405 1
1 80 . 19 1 1 A 11 11 LYS HA H 12 3.920 5.176 -1.256 1
1 87 . 19 1 1 A 12 12 LEU H H 13 8.896 8.931 -0.035 1
1 88 . 19 1 1 A 12 12 LEU HA H 13 4.500 5.184 -0.684 1
1 98 . 19 1 1 A 13 13 GLY H H 14 8.545 8.547 -0.002 1
1 99 . 19 1 1 A 13 13 GLY HA2 H 14 3.323 4.283 -0.960 1
1 100 . 19 1 1 A 13 13 GLY HA3 H 14 4.918 4.289 0.629 1
1 101 . 19 1 1 A 14 14 VAL H H 15 8.419 8.588 -0.169 1
1 102 . 19 1 1 A 14 14 VAL HA H 15 4.369 4.893 -0.524 1
1 110 . 19 1 1 A 15 15 TYR H H 16 8.680 8.655 0.025 1
1 111 . 19 1 1 A 15 15 TYR HA H 16 4.963 5.323 -0.360 1
1 118 . 19 1 1 A 16 16 ILE H H 17 8.794 8.948 -0.154 1
1 119 . 19 1 1 A 16 16 ILE HA H 17 4.670 4.533 0.137 1
1 129 . 19 1 1 A 17 17 PRO HA H 18 4.356 4.590 -0.234 1
1 136 . 19 1 1 A 18 18 GLN H H 19 9.107 9.125 -0.018 1
1 137 . 19 1 1 A 18 18 GLN HA H 19 3.772 3.936 -0.164 1
1 144 . 19 1 1 A 19 19 GLU H H 20 9.483 8.570 0.913 1
1 145 . 19 1 1 A 19 19 GLU HA H 20 4.244 4.134 0.110 1
1 150 . 19 1 1 A 20 20 TRP H H 21 7.250 7.878 -0.628 1
1 151 . 19 1 1 A 20 20 TRP HA H 21 4.608 4.537 0.071 1
1 160 . 19 1 1 A 21 21 HIS H H 22 8.005 8.269 -0.264 1
1 161 . 19 1 1 A 21 21 HIS HA H 22 3.887 4.283 -0.396 1
1 166 . 19 1 1 A 22 22 ASP H H 23 8.843 8.700 0.143 1
1 167 . 19 1 1 A 22 22 ASP HA H 23 4.364 4.223 0.141 1
1 170 . 19 1 1 A 23 23 ARG H H 24 7.746 7.723 0.023 1
1 171 . 19 1 1 A 23 23 ARG HA H 24 4.203 4.116 0.087 1
1 179 . 19 1 1 A 24 24 LEU H H 25 8.474 8.360 0.114 1
1 180 . 19 1 1 A 24 24 LEU HA H 25 3.940 3.922 0.018 1
1 190 . 19 1 1 A 25 25 MET H H 26 8.044 8.399 -0.355 1
1 191 . 19 1 1 A 25 25 MET HA H 26 4.205 4.164 0.041 1
1 199 . 19 1 1 A 26 26 GLU H H 27 7.709 7.964 -0.255 1
1 200 . 19 1 1 A 26 26 GLU HA H 27 4.139 4.129 0.010 1
1 205 . 19 1 1 A 27 27 ILE H H 28 7.828 8.075 -0.247 1
1 206 . 19 1 1 A 27 27 ILE HA H 28 3.666 3.774 -0.108 1
1 216 . 19 1 1 A 28 28 ALA H H 29 8.459 8.269 0.190 1
1 217 . 19 1 1 A 28 28 ALA HA H 29 3.610 4.010 -0.400 1
1 221 . 19 1 1 A 29 29 LYS H H 30 8.015 7.644 0.371 1
1 222 . 19 1 1 A 29 29 LYS HA H 30 4.144 4.146 -0.002 1
1 234 . 19 1 1 A 30 30 GLU H H 31 8.096 7.728 0.368 1
1 235 . 19 1 1 A 30 30 GLU HA H 31 4.064 4.038 0.026 1
1 240 . 19 1 1 A 31 31 LYS H H 32 8.033 7.782 0.251 1
1 241 . 19 1 1 A 31 31 LYS HA H 32 4.313 4.371 -0.058 1
1 248 . 19 1 1 A 32 32 ASN H H 33 7.959 8.184 -0.225 1
1 249 . 19 1 1 A 32 32 ASN HA H 33 4.419 4.469 -0.050 1
1 254 . 19 1 1 A 33 33 LEU H H 34 8.538 7.740 0.798 1
1 255 . 19 1 1 A 33 33 LEU HA H 34 4.925 4.874 0.051 1
1 265 . 19 1 1 A 34 34 THR H H 35 8.656 8.591 0.065 1
1 266 . 19 1 1 A 34 34 THR HA H 35 4.608 4.860 -0.252 1
1 271 . 19 1 1 A 35 35 LEU H H 36 9.000 8.942 0.058 1
1 272 . 19 1 1 A 35 35 LEU HA H 36 3.908 3.837 0.071 1
1 282 . 19 1 1 A 36 36 SER H H 37 8.656 7.993 0.663 1
1 283 . 19 1 1 A 36 36 SER HA H 37 4.059 4.067 -0.008 1
1 286 . 19 1 1 A 37 37 ASP H H 38 7.984 7.968 0.016 1
1 287 . 19 1 1 A 37 37 ASP HA H 38 4.355 4.321 0.034 1
1 290 . 19 1 1 A 38 38 VAL H H 39 8.015 8.111 -0.096 1
1 291 . 19 1 1 A 38 38 VAL HA H 39 3.576 3.549 0.027 1
1 299 . 19 1 1 A 39 39 CYS H H 40 8.260 7.824 0.436 1
1 300 . 19 1 1 A 39 39 CYS HA H 40 3.777 4.123 -0.346 1
1 303 . 19 1 1 A 40 40 ARG H H 41 8.206 7.832 0.374 1
1 304 . 19 1 1 A 40 40 ARG HA H 41 4.008 4.082 -0.074 1
1 312 . 19 1 1 A 41 41 LEU H H 42 7.822 8.489 -0.667 1
1 313 . 19 1 1 A 41 41 LEU HA H 42 4.036 4.175 -0.139 1
1 323 . 19 1 1 A 42 42 ALA H H 43 7.741 7.830 -0.089 1
1 324 . 19 1 1 A 42 42 ALA HA H 43 3.699 4.082 -0.383 1
1 328 . 19 1 1 A 43 43 ILE H H 44 8.043 7.853 0.190 1
1 329 . 19 1 1 A 43 43 ILE HA H 44 3.423 3.853 -0.430 1
1 339 . 19 1 1 A 44 44 LYS H H 45 8.432 7.914 0.518 1
1 340 . 19 1 1 A 44 44 LYS HA H 45 3.014 4.051 -1.037 1
1 349 . 19 1 1 A 45 45 GLU H H 46 8.370 7.784 0.586 1
1 350 . 19 1 1 A 45 45 GLU HA H 46 4.002 4.095 -0.093 1
1 355 . 19 1 1 A 46 46 TYR H H 47 7.703 8.218 -0.515 1
1 356 . 19 1 1 A 46 46 TYR HA H 47 4.308 4.342 -0.034 1
1 363 . 19 1 1 A 47 47 LEU H H 48 8.432 9.211 -0.779 1
1 364 . 19 1 1 A 47 47 LEU HA H 48 3.709 3.955 -0.246 1
1 374 . 19 1 1 A 48 48 ASP H H 49 8.530 8.359 0.171 1
1 375 . 19 1 1 A 48 48 ASP HA H 49 4.255 4.273 -0.018 1
1 378 . 19 1 1 A 49 49 ASN H H 50 7.934 7.751 0.183 1
1 379 . 19 1 1 A 49 49 ASN HA H 50 4.482 4.525 -0.043 1
1 384 . 19 1 1 A 50 50 HIS H H 51 7.830 7.283 0.547 1
1 385 . 19 1 1 A 50 50 HIS HA H 51 4.424 4.503 -0.079 1
1 390 . 19 1 1 A 51 51 ASP H H 52 8.052 8.608 -0.556 1
1 391 . 19 1 1 A 51 51 ASP HA H 52 4.680 4.551 0.129 1
1 394 . 19 1 1 A 52 52 LYS H H 53 8.069 8.203 -0.134 1
1 395 . 19 1 1 A 52 52 LYS HA H 53 4.220 4.479 -0.259 1
1 404 . 19 1 1 A 53 53 GLN H H 54 8.246 7.920 0.326 1
1 405 . 19 1 1 A 53 53 GLN HA H 54 4.257 3.861 0.396 1
1 412 . 19 1 1 A 54 54 LYS H H 55 8.200 8.067 0.133 1
1 413 . 19 1 1 A 54 54 LYS HA H 55 4.266 4.208 0.058 1
1 3 . 20 1 1 A 2 2 ARG H H 3 8.676 8.819 -0.143 1
1 4 . 20 1 1 A 2 2 ARG HA H 3 4.608 3.771 0.837 1
1 12 . 20 1 1 A 3 3 PRO HA H 4 4.419 4.154 0.265 1
1 19 . 20 1 1 A 4 4 TYR H H 5 8.180 8.167 0.013 1
1 20 . 20 1 1 A 4 4 TYR HA H 5 4.449 4.118 0.331 1
1 27 . 20 1 1 A 5 5 LYS H H 6 8.129 8.593 -0.464 1
1 28 . 20 1 1 A 5 5 LYS HA H 6 4.135 4.514 -0.379 1
1 37 . 20 1 1 A 6 6 LEU H H 7 7.959 8.493 -0.534 1
1 38 . 20 1 1 A 6 6 LEU HA H 7 4.200 4.574 -0.374 1
1 48 . 20 1 1 A 7 7 LEU H H 8 8.116 8.235 -0.119 1
1 49 . 20 1 1 A 7 7 LEU HA H 8 4.177 3.981 0.196 1
1 59 . 20 1 1 A 8 8 ASN H H 9 8.390 7.662 0.728 1
1 60 . 20 1 1 A 8 8 ASN HA H 9 4.562 4.777 -0.215 1
1 65 . 20 1 1 A 9 9 GLY H H 10 7.889 8.561 -0.672 1
1 66 . 20 1 1 A 9 9 GLY HA2 H 10 3.608 4.171 -0.563 1
1 67 . 20 1 1 A 9 9 GLY HA3 H 10 4.077 4.219 -0.142 1
1 68 . 20 1 1 A 10 10 ILE H H 11 8.883 9.142 -0.259 1
1 69 . 20 1 1 A 10 10 ILE HA H 11 4.404 4.793 -0.389 1
1 79 . 20 1 1 A 11 11 LYS H H 12 8.432 8.706 -0.274 1
1 80 . 20 1 1 A 11 11 LYS HA H 12 3.920 4.841 -0.921 1
1 87 . 20 1 1 A 12 12 LEU H H 13 8.896 8.976 -0.080 1
1 88 . 20 1 1 A 12 12 LEU HA H 13 4.500 5.142 -0.642 1
1 98 . 20 1 1 A 13 13 GLY H H 14 8.545 9.066 -0.521 1
1 99 . 20 1 1 A 13 13 GLY HA2 H 14 3.323 4.108 -0.785 1
1 100 . 20 1 1 A 13 13 GLY HA3 H 14 4.918 4.110 0.808 1
1 101 . 20 1 1 A 14 14 VAL H H 15 8.419 8.873 -0.454 1
1 102 . 20 1 1 A 14 14 VAL HA H 15 4.369 4.961 -0.592 1
1 110 . 20 1 1 A 15 15 TYR H H 16 8.680 9.100 -0.420 1
1 111 . 20 1 1 A 15 15 TYR HA H 16 4.963 5.155 -0.192 1
1 118 . 20 1 1 A 16 16 ILE H H 17 8.794 8.813 -0.019 1
1 119 . 20 1 1 A 16 16 ILE HA H 17 4.670 5.204 -0.534 1
1 129 . 20 1 1 A 17 17 PRO HA H 18 4.356 4.597 -0.241 1
1 136 . 20 1 1 A 18 18 GLN H H 19 9.107 8.681 0.426 1
1 137 . 20 1 1 A 18 18 GLN HA H 19 3.772 4.023 -0.251 1
1 144 . 20 1 1 A 19 19 GLU H H 20 9.483 8.729 0.754 1
1 145 . 20 1 1 A 19 19 GLU HA H 20 4.244 4.164 0.080 1
1 150 . 20 1 1 A 20 20 TRP H H 21 7.250 8.188 -0.938 1
1 151 . 20 1 1 A 20 20 TRP HA H 21 4.608 4.397 0.211 1
1 160 . 20 1 1 A 21 21 HIS H H 22 8.005 8.331 -0.326 1
1 161 . 20 1 1 A 21 21 HIS HA H 22 3.887 4.022 -0.135 1
1 166 . 20 1 1 A 22 22 ASP H H 23 8.843 8.811 0.032 1
1 167 . 20 1 1 A 22 22 ASP HA H 23 4.364 4.145 0.219 1
1 170 . 20 1 1 A 23 23 ARG H H 24 7.746 7.568 0.178 1
1 171 . 20 1 1 A 23 23 ARG HA H 24 4.203 4.105 0.098 1
1 179 . 20 1 1 A 24 24 LEU H H 25 8.474 7.898 0.576 1
1 180 . 20 1 1 A 24 24 LEU HA H 25 3.940 3.981 -0.041 1
1 190 . 20 1 1 A 25 25 MET H H 26 8.044 7.991 0.053 1
1 191 . 20 1 1 A 25 25 MET HA H 26 4.205 3.908 0.297 1
1 199 . 20 1 1 A 26 26 GLU H H 27 7.709 7.969 -0.260 1
1 200 . 20 1 1 A 26 26 GLU HA H 27 4.139 4.111 0.028 1
1 205 . 20 1 1 A 27 27 ILE H H 28 7.828 7.956 -0.128 1
1 206 . 20 1 1 A 27 27 ILE HA H 28 3.666 3.699 -0.033 1
1 216 . 20 1 1 A 28 28 ALA H H 29 8.459 8.424 0.035 1
1 217 . 20 1 1 A 28 28 ALA HA H 29 3.610 3.952 -0.342 1
1 221 . 20 1 1 A 29 29 LYS H H 30 8.015 7.615 0.400 1
1 222 . 20 1 1 A 29 29 LYS HA H 30 4.144 4.046 0.098 1
1 234 . 20 1 1 A 30 30 GLU H H 31 8.096 7.756 0.340 1
1 235 . 20 1 1 A 30 30 GLU HA H 31 4.064 4.052 0.012 1
1 240 . 20 1 1 A 31 31 LYS H H 32 8.033 7.488 0.545 1
1 241 . 20 1 1 A 31 31 LYS HA H 32 4.313 4.368 -0.055 1
1 248 . 20 1 1 A 32 32 ASN H H 33 7.959 7.619 0.340 1
1 249 . 20 1 1 A 32 32 ASN HA H 33 4.419 4.241 0.178 1
1 254 . 20 1 1 A 33 33 LEU H H 34 8.538 7.835 0.703 1
1 255 . 20 1 1 A 33 33 LEU HA H 34 4.925 4.878 0.047 1
1 265 . 20 1 1 A 34 34 THR H H 35 8.656 8.378 0.278 1
1 266 . 20 1 1 A 34 34 THR HA H 35 4.608 4.814 -0.206 1
1 271 . 20 1 1 A 35 35 LEU H H 36 9.000 8.851 0.149 1
1 272 . 20 1 1 A 35 35 LEU HA H 36 3.908 3.742 0.166 1
1 282 . 20 1 1 A 36 36 SER H H 37 8.656 7.878 0.778 1
1 283 . 20 1 1 A 36 36 SER HA H 37 4.059 3.995 0.064 1
1 286 . 20 1 1 A 37 37 ASP H H 38 7.984 8.009 -0.025 1
1 287 . 20 1 1 A 37 37 ASP HA H 38 4.355 4.301 0.054 1
1 290 . 20 1 1 A 38 38 VAL H H 39 8.015 8.277 -0.262 1
1 291 . 20 1 1 A 38 38 VAL HA H 39 3.576 3.529 0.047 1
1 299 . 20 1 1 A 39 39 CYS H H 40 8.260 8.257 0.003 1
1 300 . 20 1 1 A 39 39 CYS HA H 40 3.777 4.037 -0.260 1
1 303 . 20 1 1 A 40 40 ARG H H 41 8.206 7.999 0.207 1
1 304 . 20 1 1 A 40 40 ARG HA H 41 4.008 4.039 -0.031 1
1 312 . 20 1 1 A 41 41 LEU H H 42 7.822 8.681 -0.859 1
1 313 . 20 1 1 A 41 41 LEU HA H 42 4.036 4.155 -0.119 1
1 323 . 20 1 1 A 42 42 ALA H H 43 7.741 7.858 -0.117 1
1 324 . 20 1 1 A 42 42 ALA HA H 43 3.699 4.102 -0.403 1
1 328 . 20 1 1 A 43 43 ILE H H 44 8.043 7.579 0.464 1
1 329 . 20 1 1 A 43 43 ILE HA H 44 3.423 3.589 -0.166 1
1 339 . 20 1 1 A 44 44 LYS H H 45 8.432 7.933 0.499 1
1 340 . 20 1 1 A 44 44 LYS HA H 45 3.014 3.984 -0.970 1
1 349 . 20 1 1 A 45 45 GLU H H 46 8.370 8.099 0.271 1
1 350 . 20 1 1 A 45 45 GLU HA H 46 4.002 4.065 -0.063 1
1 355 . 20 1 1 A 46 46 TYR H H 47 7.703 7.908 -0.205 1
1 356 . 20 1 1 A 46 46 TYR HA H 47 4.308 3.985 0.323 1
1 363 . 20 1 1 A 47 47 LEU H H 48 8.432 8.784 -0.352 1
1 364 . 20 1 1 A 47 47 LEU HA H 48 3.709 3.898 -0.189 1
1 374 . 20 1 1 A 48 48 ASP H H 49 8.530 8.509 0.021 1
1 375 . 20 1 1 A 48 48 ASP HA H 49 4.255 4.241 0.014 1
1 378 . 20 1 1 A 49 49 ASN H H 50 7.934 7.681 0.253 1
1 379 . 20 1 1 A 49 49 ASN HA H 50 4.482 4.594 -0.112 1
1 384 . 20 1 1 A 50 50 HIS H H 51 7.830 7.625 0.205 1
1 385 . 20 1 1 A 50 50 HIS HA H 51 4.424 4.390 0.034 1
1 390 . 20 1 1 A 51 51 ASP H H 52 8.052 8.534 -0.482 1
1 391 . 20 1 1 A 51 51 ASP HA H 52 4.680 4.566 0.114 1
1 394 . 20 1 1 A 52 52 LYS H H 53 8.069 8.233 -0.164 1
1 395 . 20 1 1 A 52 52 LYS HA H 53 4.220 4.102 0.118 1
1 404 . 20 1 1 A 53 53 GLN H H 54 8.246 7.971 0.275 1
1 405 . 20 1 1 A 53 53 GLN HA H 54 4.257 4.216 0.041 1
1 412 . 20 1 1 A 54 54 LYS H H 55 8.200 8.781 -0.581 1
1 413 . 20 1 1 A 54 54 LYS HA H 55 4.266 3.861 0.405 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 51 0.474 1
5 1 1 1 "RMS(OBS, PRED)" HA 55 0.356 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 51 0.427 1
11 1 2 1 "RMS(OBS, PRED)" HA 55 0.363 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 51 0.430 1
17 1 3 1 "RMS(OBS, PRED)" HA 55 0.354 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 51 0.493 1
23 1 4 1 "RMS(OBS, PRED)" HA 55 0.361 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 51 0.433 1
29 1 5 1 "RMS(OBS, PRED)" HA 55 0.364 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 51 0.428 1
35 1 6 1 "RMS(OBS, PRED)" HA 55 0.365 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 51 0.430 1
41 1 7 1 "RMS(OBS, PRED)" HA 55 0.358 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 51 0.446 1
47 1 8 1 "RMS(OBS, PRED)" HA 55 0.343 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 51 0.429 1
53 1 9 1 "RMS(OBS, PRED)" HA 55 0.375 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 51 0.408 1
59 1 10 1 "RMS(OBS, PRED)" HA 55 0.365 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 51 0.366 1
65 1 11 1 "RMS(OBS, PRED)" HA 55 0.373 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 51 0.433 1
71 1 12 1 "RMS(OBS, PRED)" HA 55 0.326 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 51 0.438 1
77 1 13 1 "RMS(OBS, PRED)" HA 55 0.348 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 51 0.426 1
83 1 14 1 "RMS(OBS, PRED)" HA 55 0.389 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 51 0.430 1
89 1 15 1 "RMS(OBS, PRED)" HA 55 0.344 1
90 1 15 1 "RMS(OBS, PRED)" N 0 0.000 1
91 1 16 1 "RMS(OBS, PRED)" C 0 0.000 1
92 1 16 1 "RMS(OBS, PRED)" CA 0 0.000 1
93 1 16 1 "RMS(OBS, PRED)" CB 0 0.000 1
94 1 16 1 "RMS(OBS, PRED)" H 51 0.454 1
95 1 16 1 "RMS(OBS, PRED)" HA 55 0.357 1
96 1 16 1 "RMS(OBS, PRED)" N 0 0.000 1
97 1 17 1 "RMS(OBS, PRED)" C 0 0.000 1
98 1 17 1 "RMS(OBS, PRED)" CA 0 0.000 1
99 1 17 1 "RMS(OBS, PRED)" CB 0 0.000 1
100 1 17 1 "RMS(OBS, PRED)" H 51 0.458 1
101 1 17 1 "RMS(OBS, PRED)" HA 55 0.334 1
102 1 17 1 "RMS(OBS, PRED)" N 0 0.000 1
103 1 18 1 "RMS(OBS, PRED)" C 0 0.000 1
104 1 18 1 "RMS(OBS, PRED)" CA 0 0.000 1
105 1 18 1 "RMS(OBS, PRED)" CB 0 0.000 1
106 1 18 1 "RMS(OBS, PRED)" H 51 0.411 1
107 1 18 1 "RMS(OBS, PRED)" HA 55 0.338 1
108 1 18 1 "RMS(OBS, PRED)" N 0 0.000 1
109 1 19 1 "RMS(OBS, PRED)" C 0 0.000 1
110 1 19 1 "RMS(OBS, PRED)" CA 0 0.000 1
111 1 19 1 "RMS(OBS, PRED)" CB 0 0.000 1
112 1 19 1 "RMS(OBS, PRED)" H 51 0.389 1
113 1 19 1 "RMS(OBS, PRED)" HA 55 0.373 1
114 1 19 1 "RMS(OBS, PRED)" N 0 0.000 1
115 1 20 1 "RMS(OBS, PRED)" C 0 0.000 1
116 1 20 1 "RMS(OBS, PRED)" CA 0 0.000 1
117 1 20 1 "RMS(OBS, PRED)" CB 0 0.000 1
118 1 20 1 "RMS(OBS, PRED)" H 51 0.418 1
119 1 20 1 "RMS(OBS, PRED)" HA 55 0.362 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 3 . 1 1 A 2 2 ARG H H 3 8.676 8.523 0.153 2
1 4 . 1 1 A 2 2 ARG HA H 3 4.608 4.525 0.083 2
1 12 . 1 1 A 3 3 PRO HA H 4 4.419 4.387 0.032 2
1 19 . 1 1 A 4 4 TYR H H 5 8.180 8.167 0.013 2
1 20 . 1 1 A 4 4 TYR HA H 5 4.449 4.442 0.007 2
1 27 . 1 1 A 5 5 LYS H H 6 8.129 8.189 -0.060 2
1 28 . 1 1 A 5 5 LYS HA H 6 4.135 4.332 -0.197 2
1 37 . 1 1 A 6 6 LEU H H 7 7.959 8.091 -0.131 2
1 38 . 1 1 A 6 6 LEU HA H 7 4.200 4.313 -0.113 2
1 48 . 1 1 A 7 7 LEU H H 8 8.116 8.205 -0.089 2
1 49 . 1 1 A 7 7 LEU HA H 8 4.177 4.309 -0.132 2
1 59 . 1 1 A 8 8 ASN H H 9 8.390 8.313 0.077 2
1 60 . 1 1 A 8 8 ASN HA H 9 4.562 4.567 -0.005 2
1 65 . 1 1 A 9 9 GLY H H 10 7.889 7.799 0.090 2
1 66 . 1 1 A 9 9 GLY HA2 H 10 3.608 4.132 -0.524 2
1 67 . 1 1 A 9 9 GLY HA3 H 10 4.077 4.136 -0.059 2
1 68 . 1 1 A 10 10 ILE H H 11 8.883 8.905 -0.022 2
1 69 . 1 1 A 10 10 ILE HA H 11 4.404 4.888 -0.484 2
1 79 . 1 1 A 11 11 LYS H H 12 8.432 8.802 -0.370 2
1 80 . 1 1 A 11 11 LYS HA H 12 3.920 5.057 -1.137 2
1 87 . 1 1 A 12 12 LEU H H 13 8.896 8.959 -0.063 2
1 88 . 1 1 A 12 12 LEU HA H 13 4.500 5.144 -0.644 2
1 98 . 1 1 A 13 13 GLY H H 14 8.545 8.880 -0.335 2
1 99 . 1 1 A 13 13 GLY HA2 H 14 3.323 4.186 -0.863 2
1 100 . 1 1 A 13 13 GLY HA3 H 14 4.918 4.203 0.715 2
1 101 . 1 1 A 14 14 VAL H H 15 8.419 8.938 -0.519 2
1 102 . 1 1 A 14 14 VAL HA H 15 4.369 4.859 -0.490 2
1 110 . 1 1 A 15 15 TYR H H 16 8.680 8.927 -0.247 2
1 111 . 1 1 A 15 15 TYR HA H 16 4.963 5.266 -0.303 2
1 118 . 1 1 A 16 16 ILE H H 17 8.794 8.780 0.014 2
1 119 . 1 1 A 16 16 ILE HA H 17 4.670 4.770 -0.100 2
1 129 . 1 1 A 17 17 PRO HA H 18 4.356 4.495 -0.139 2
1 136 . 1 1 A 18 18 GLN H H 19 9.107 8.758 0.349 2
1 137 . 1 1 A 18 18 GLN HA H 19 3.772 4.024 -0.252 2
1 144 . 1 1 A 19 19 GLU H H 20 9.483 8.387 1.096 2
1 145 . 1 1 A 19 19 GLU HA H 20 4.244 4.113 0.131 2
1 150 . 1 1 A 20 20 TRP H H 21 7.250 7.937 -0.687 2
1 151 . 1 1 A 20 20 TRP HA H 21 4.608 4.482 0.126 2
1 160 . 1 1 A 21 21 HIS H H 22 8.005 8.315 -0.310 2
1 161 . 1 1 A 21 21 HIS HA H 22 3.887 4.250 -0.363 2
1 166 . 1 1 A 22 22 ASP H H 23 8.843 8.806 0.037 2
1 167 . 1 1 A 22 22 ASP HA H 23 4.364 4.223 0.141 2
1 170 . 1 1 A 23 23 ARG H H 24 7.746 7.710 0.036 2
1 171 . 1 1 A 23 23 ARG HA H 24 4.203 4.101 0.102 2
1 179 . 1 1 A 24 24 LEU H H 25 8.474 8.397 0.077 2
1 180 . 1 1 A 24 24 LEU HA H 25 3.940 3.941 -0.001 2
1 190 . 1 1 A 25 25 MET H H 26 8.044 8.219 -0.175 2
1 191 . 1 1 A 25 25 MET HA H 26 4.205 4.079 0.126 2
1 199 . 1 1 A 26 26 GLU H H 27 7.709 7.902 -0.193 2
1 200 . 1 1 A 26 26 GLU HA H 27 4.139 4.105 0.034 2
1 205 . 1 1 A 27 27 ILE H H 28 7.828 7.960 -0.132 2
1 206 . 1 1 A 27 27 ILE HA H 28 3.666 3.762 -0.096 2
1 216 . 1 1 A 28 28 ALA H H 29 8.459 8.444 0.015 2
1 217 . 1 1 A 28 28 ALA HA H 29 3.610 3.982 -0.372 2
1 221 . 1 1 A 29 29 LYS H H 30 8.015 7.581 0.434 2
1 222 . 1 1 A 29 29 LYS HA H 30 4.144 4.109 0.035 2
1 234 . 1 1 A 30 30 GLU H H 31 8.096 7.765 0.331 2
1 235 . 1 1 A 30 30 GLU HA H 31 4.064 4.068 -0.004 2
1 240 . 1 1 A 31 31 LYS H H 32 8.033 7.645 0.388 2
1 241 . 1 1 A 31 31 LYS HA H 32 4.313 4.359 -0.046 2
1 248 . 1 1 A 32 32 ASN H H 33 7.959 7.929 0.030 2
1 249 . 1 1 A 32 32 ASN HA H 33 4.419 4.304 0.115 2
1 254 . 1 1 A 33 33 LEU H H 34 8.538 7.744 0.794 2
1 255 . 1 1 A 33 33 LEU HA H 34 4.925 4.894 0.031 2
1 265 . 1 1 A 34 34 THR H H 35 8.656 8.357 0.299 2
1 266 . 1 1 A 34 34 THR HA H 35 4.608 4.837 -0.229 2
1 271 . 1 1 A 35 35 LEU H H 36 9.000 8.768 0.232 2
1 272 . 1 1 A 35 35 LEU HA H 36 3.908 3.848 0.060 2
1 282 . 1 1 A 36 36 SER H H 37 8.656 7.996 0.660 2
1 283 . 1 1 A 36 36 SER HA H 37 4.059 4.047 0.012 2
1 286 . 1 1 A 37 37 ASP H H 38 7.984 8.062 -0.078 2
1 287 . 1 1 A 37 37 ASP HA H 38 4.355 4.332 0.023 2
1 290 . 1 1 A 38 38 VAL H H 39 8.015 8.211 -0.196 2
1 291 . 1 1 A 38 38 VAL HA H 39 3.576 3.544 0.032 2
1 299 . 1 1 A 39 39 CYS H H 40 8.260 8.201 0.059 2
1 300 . 1 1 A 39 39 CYS HA H 40 3.777 4.074 -0.297 2
1 303 . 1 1 A 40 40 ARG H H 41 8.206 7.896 0.310 2
1 304 . 1 1 A 40 40 ARG HA H 41 4.008 4.073 -0.065 2
1 312 . 1 1 A 41 41 LEU H H 42 7.822 8.491 -0.669 2
1 313 . 1 1 A 41 41 LEU HA H 42 4.036 4.141 -0.105 2
1 323 . 1 1 A 42 42 ALA H H 43 7.741 7.832 -0.091 2
1 324 . 1 1 A 42 42 ALA HA H 43 3.699 4.076 -0.377 2
1 328 . 1 1 A 43 43 ILE H H 44 8.043 7.665 0.378 2
1 329 . 1 1 A 43 43 ILE HA H 44 3.423 3.756 -0.333 2
1 339 . 1 1 A 44 44 LYS H H 45 8.432 7.914 0.518 2
1 340 . 1 1 A 44 44 LYS HA H 45 3.014 3.991 -0.977 2
1 349 . 1 1 A 45 45 GLU H H 46 8.370 7.788 0.582 2
1 350 . 1 1 A 45 45 GLU HA H 46 4.002 4.088 -0.086 2
1 355 . 1 1 A 46 46 TYR H H 47 7.703 8.173 -0.470 2
1 356 . 1 1 A 46 46 TYR HA H 47 4.308 4.250 0.058 2
1 363 . 1 1 A 47 47 LEU H H 48 8.432 8.808 -0.376 2
1 364 . 1 1 A 47 47 LEU HA H 48 3.709 3.890 -0.181 2
1 374 . 1 1 A 48 48 ASP H H 49 8.530 8.264 0.265 2
1 375 . 1 1 A 48 48 ASP HA H 49 4.255 4.335 -0.080 2
1 378 . 1 1 A 49 49 ASN H H 50 7.934 7.982 -0.048 2
1 379 . 1 1 A 49 49 ASN HA H 50 4.482 4.514 -0.032 2
1 384 . 1 1 A 50 50 HIS H H 51 7.830 7.534 0.296 2
1 385 . 1 1 A 50 50 HIS HA H 51 4.424 4.419 0.005 2
1 390 . 1 1 A 51 51 ASP H H 52 8.052 8.115 -0.063 2
1 391 . 1 1 A 51 51 ASP HA H 52 4.680 4.627 0.053 2
1 394 . 1 1 A 52 52 LYS H H 53 8.069 8.368 -0.299 2
1 395 . 1 1 A 52 52 LYS HA H 53 4.220 4.283 -0.063 2
1 404 . 1 1 A 53 53 GLN H H 54 8.246 7.800 0.446 2
1 405 . 1 1 A 53 53 GLN HA H 54 4.257 4.435 -0.178 2
1 412 . 1 1 A 54 54 LYS H H 55 8.200 8.427 -0.227 2
1 413 . 1 1 A 54 54 LYS HA H 55 4.266 4.475 -0.209 2
stop_
save_