data_16070_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16070
_Entry.PDB_ID 2KCF
_Entry.NMR_STAR_version 3.0.9.100
save_
save_delta_chem_shifts_single
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_single
_Entity_delta_chem_shifts.Conformer_type "single"
_Entity_delta_chem_shifts.Conformer_count 20
_Entity_delta_chem_shifts.Best_conformer 1
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Conformer_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 1 A 4 4 LEU H H 4 8.811 7.854 0.957 1
1 2 . 1 1 1 A 4 4 LEU HA H 4 4.574 4.213 0.361 1
1 10 . 1 1 1 A 5 5 PRO HA H 5 4.891 4.692 0.199 1
1 17 . 1 1 1 A 6 6 PRO HA H 6 4.392 4.719 -0.327 1
1 24 . 1 1 1 A 7 7 GLY H H 7 8.900 9.028 -0.128 1
1 25 . 1 1 1 A 7 7 GLY HA2 H 7 3.288 3.705 -0.417 1
1 26 . 1 1 1 A 7 7 GLY HA3 H 7 4.070 3.858 0.212 1
1 27 . 1 1 1 A 8 8 TRP H H 8 7.411 8.136 -0.725 1
1 28 . 1 1 1 A 8 8 TRP HA H 8 5.274 5.222 0.052 1
1 37 . 1 1 1 A 9 9 GLU H H 9 9.849 9.285 0.564 1
1 38 . 1 1 1 A 9 9 GLU HA H 9 4.875 5.085 -0.210 1
1 41 . 1 1 1 A 10 10 LYS H H 10 9.066 8.788 0.278 1
1 42 . 1 1 1 A 10 10 LYS HA H 10 4.413 4.654 -0.241 1
1 43 . 1 1 1 A 11 11 ARG H H 11 8.953 8.077 0.876 1
1 44 . 1 1 1 A 11 11 ARG HA H 11 4.464 4.444 0.020 1
1 56 . 1 1 1 A 12 12 MET H H 12 8.342 8.884 -0.542 1
1 57 . 1 1 1 A 12 12 MET HA H 12 4.993 5.513 -0.520 1
1 60 . 1 1 1 A 13 13 SER H H 13 9.131 8.716 0.415 1
1 61 . 1 1 1 A 13 13 SER HA H 13 4.887 4.132 0.755 1
1 64 . 1 1 1 A 14 14 ARG H H 14 10.000 8.672 1.328 1
1 65 . 1 1 1 A 14 14 ARG HA H 14 4.162 3.972 0.190 1
1 67 . 1 1 1 A 15 15 SER H H 15 8.784 8.027 0.757 1
1 68 . 1 1 1 A 15 15 SER HA H 15 4.374 4.737 -0.363 1
1 70 . 1 1 1 A 16 16 SER H H 16 8.333 8.593 -0.260 1
1 71 . 1 1 1 A 16 16 SER HA H 16 4.312 4.248 0.064 1
1 74 . 1 1 1 A 17 17 GLY H H 17 8.146 8.291 -0.145 1
1 75 . 1 1 1 A 17 17 GLY HA2 H 17 4.152 3.752 0.400 1
1 76 . 1 1 1 A 17 17 GLY HA3 H 17 3.978 3.762 0.216 1
1 77 . 1 1 1 A 18 18 ARG H H 18 7.743 7.771 -0.028 1
1 78 . 1 1 1 A 18 18 ARG HA H 18 4.486 4.940 -0.454 1
1 88 . 1 1 1 A 19 19 VAL H H 19 8.681 8.603 0.078 1
1 89 . 1 1 1 A 19 19 VAL HA H 19 4.708 4.885 -0.177 1
1 97 . 1 1 1 A 20 20 TYR H H 20 8.761 8.226 0.535 1
1 98 . 1 1 1 A 20 20 TYR HA H 20 4.936 4.890 0.046 1
1 105 . 1 1 1 A 21 21 TYR H H 21 9.100 8.965 0.135 1
1 106 . 1 1 1 A 21 21 TYR HA H 21 5.302 5.164 0.138 1
1 112 . 1 1 1 A 22 22 PHE H H 22 9.451 9.233 0.218 1
1 113 . 1 1 1 A 22 22 PHE HA H 22 5.687 5.082 0.605 1
1 117 . 1 1 1 A 23 23 ASN H H 23 8.267 7.653 0.614 1
1 118 . 1 1 1 A 23 23 ASN HA H 23 4.392 3.945 0.447 1
1 123 . 1 1 1 A 24 24 HIS H H 24 8.238 7.837 0.401 1
1 124 . 1 1 1 A 24 24 HIS HA H 24 4.174 4.432 -0.258 1
1 130 . 1 1 1 A 25 25 ILE H H 25 8.415 7.877 0.538 1
1 131 . 1 1 1 A 25 25 ILE HA H 25 3.864 3.810 0.054 1
1 141 . 1 1 1 A 26 26 THR H H 26 7.372 7.854 -0.482 1
1 142 . 1 1 1 A 26 26 THR HA H 26 4.117 4.265 -0.148 1
1 147 . 1 1 1 A 27 27 ASN H H 27 8.111 7.631 0.480 1
1 148 . 1 1 1 A 27 27 ASN HA H 27 4.157 3.739 0.418 1
1 153 . 1 1 1 A 28 28 ALA H H 28 7.173 7.283 -0.110 1
1 154 . 1 1 1 A 28 28 ALA HA H 28 4.460 4.340 0.120 1
1 158 . 1 1 1 A 29 29 SER H H 29 8.440 8.627 -0.187 1
1 159 . 1 1 1 A 29 29 SER HA H 29 6.071 5.680 0.391 1
1 162 . 1 1 1 A 30 30 GLN H H 30 9.428 8.608 0.820 1
1 163 . 1 1 1 A 30 30 GLN HA H 30 4.865 4.266 0.599 1
1 168 . 1 1 1 A 31 31 TRP H H 31 8.494 8.084 0.410 1
1 169 . 1 1 1 A 31 31 TRP HA H 31 5.002 4.779 0.223 1
1 178 . 1 1 1 A 32 32 GLU H H 32 8.156 7.929 0.227 1
1 179 . 1 1 1 A 32 32 GLU HA H 32 4.422 4.433 -0.011 1
1 182 . 1 1 1 A 33 33 ARG H H 33 8.677 8.894 -0.217 1
1 183 . 1 1 1 A 33 33 ARG HA H 33 2.627 5.026 -2.399 1
1 187 . 1 1 1 A 34 34 PRO HA H 34 3.938 4.865 -0.927 1
1 194 . 1 1 1 A 35 35 SER H H 35 8.070 8.577 -0.507 1
1 195 . 1 1 1 A 35 35 SER HA H 35 4.711 4.697 0.014 1
1 1 . 2 1 1 A 4 4 LEU H H 4 8.811 8.695 0.116 1
1 2 . 2 1 1 A 4 4 LEU HA H 4 4.574 3.792 0.782 1
1 10 . 2 1 1 A 5 5 PRO HA H 5 4.891 4.609 0.282 1
1 17 . 2 1 1 A 6 6 PRO HA H 6 4.392 4.659 -0.267 1
1 24 . 2 1 1 A 7 7 GLY H H 7 8.900 8.973 -0.073 1
1 25 . 2 1 1 A 7 7 GLY HA2 H 7 3.288 3.798 -0.510 1
1 26 . 2 1 1 A 7 7 GLY HA3 H 7 4.070 3.983 0.087 1
1 27 . 2 1 1 A 8 8 TRP H H 8 7.411 8.173 -0.762 1
1 28 . 2 1 1 A 8 8 TRP HA H 8 5.274 5.348 -0.074 1
1 37 . 2 1 1 A 9 9 GLU H H 9 9.849 8.984 0.865 1
1 38 . 2 1 1 A 9 9 GLU HA H 9 4.875 5.153 -0.278 1
1 41 . 2 1 1 A 10 10 LYS H H 10 9.066 8.791 0.275 1
1 42 . 2 1 1 A 10 10 LYS HA H 10 4.413 4.305 0.108 1
1 43 . 2 1 1 A 11 11 ARG H H 11 8.953 8.453 0.500 1
1 44 . 2 1 1 A 11 11 ARG HA H 11 4.464 4.658 -0.194 1
1 56 . 2 1 1 A 12 12 MET H H 12 8.342 8.655 -0.313 1
1 57 . 2 1 1 A 12 12 MET HA H 12 4.993 5.167 -0.174 1
1 60 . 2 1 1 A 13 13 SER H H 13 9.131 9.258 -0.127 1
1 61 . 2 1 1 A 13 13 SER HA H 13 4.887 4.012 0.875 1
1 64 . 2 1 1 A 14 14 ARG H H 14 10.000 8.264 1.736 1
1 65 . 2 1 1 A 14 14 ARG HA H 14 4.162 4.327 -0.165 1
1 67 . 2 1 1 A 15 15 SER H H 15 8.784 8.767 0.017 1
1 68 . 2 1 1 A 15 15 SER HA H 15 4.374 4.337 0.037 1
1 70 . 2 1 1 A 16 16 SER H H 16 8.333 8.693 -0.360 1
1 71 . 2 1 1 A 16 16 SER HA H 16 4.312 4.225 0.087 1
1 74 . 2 1 1 A 17 17 GLY H H 17 8.146 7.466 0.680 1
1 75 . 2 1 1 A 17 17 GLY HA2 H 17 4.152 4.102 0.050 1
1 76 . 2 1 1 A 17 17 GLY HA3 H 17 3.978 4.111 -0.133 1
1 77 . 2 1 1 A 18 18 ARG H H 18 7.743 9.010 -1.267 1
1 78 . 2 1 1 A 18 18 ARG HA H 18 4.486 5.092 -0.606 1
1 88 . 2 1 1 A 19 19 VAL H H 19 8.681 8.763 -0.082 1
1 89 . 2 1 1 A 19 19 VAL HA H 19 4.708 4.994 -0.286 1
1 97 . 2 1 1 A 20 20 TYR H H 20 8.761 8.473 0.288 1
1 98 . 2 1 1 A 20 20 TYR HA H 20 4.936 4.622 0.314 1
1 105 . 2 1 1 A 21 21 TYR H H 21 9.100 9.494 -0.394 1
1 106 . 2 1 1 A 21 21 TYR HA H 21 5.302 5.391 -0.089 1
1 112 . 2 1 1 A 22 22 PHE H H 22 9.451 9.241 0.210 1
1 113 . 2 1 1 A 22 22 PHE HA H 22 5.687 5.077 0.610 1
1 117 . 2 1 1 A 23 23 ASN H H 23 8.267 7.721 0.546 1
1 118 . 2 1 1 A 23 23 ASN HA H 23 4.392 3.559 0.833 1
1 123 . 2 1 1 A 24 24 HIS H H 24 8.238 7.463 0.775 1
1 124 . 2 1 1 A 24 24 HIS HA H 24 4.174 4.156 0.018 1
1 130 . 2 1 1 A 25 25 ILE H H 25 8.415 7.553 0.862 1
1 131 . 2 1 1 A 25 25 ILE HA H 25 3.864 3.575 0.289 1
1 141 . 2 1 1 A 26 26 THR H H 26 7.372 7.591 -0.219 1
1 142 . 2 1 1 A 26 26 THR HA H 26 4.117 4.311 -0.194 1
1 147 . 2 1 1 A 27 27 ASN H H 27 8.111 7.619 0.492 1
1 148 . 2 1 1 A 27 27 ASN HA H 27 4.157 3.904 0.253 1
1 153 . 2 1 1 A 28 28 ALA H H 28 7.173 6.522 0.651 1
1 154 . 2 1 1 A 28 28 ALA HA H 28 4.460 4.903 -0.443 1
1 158 . 2 1 1 A 29 29 SER H H 29 8.440 8.699 -0.259 1
1 159 . 2 1 1 A 29 29 SER HA H 29 6.071 5.582 0.489 1
1 162 . 2 1 1 A 30 30 GLN H H 30 9.428 8.087 1.341 1
1 163 . 2 1 1 A 30 30 GLN HA H 30 4.865 4.481 0.384 1
1 168 . 2 1 1 A 31 31 TRP H H 31 8.494 8.274 0.220 1
1 169 . 2 1 1 A 31 31 TRP HA H 31 5.002 4.790 0.212 1
1 178 . 2 1 1 A 32 32 GLU H H 32 8.156 7.808 0.348 1
1 179 . 2 1 1 A 32 32 GLU HA H 32 4.422 4.308 0.114 1
1 182 . 2 1 1 A 33 33 ARG H H 33 8.677 8.269 0.408 1
1 183 . 2 1 1 A 33 33 ARG HA H 33 2.627 4.603 -1.976 1
1 187 . 2 1 1 A 34 34 PRO HA H 34 3.938 4.343 -0.405 1
1 194 . 2 1 1 A 35 35 SER H H 35 8.070 8.072 -0.002 1
1 195 . 2 1 1 A 35 35 SER HA H 35 4.711 4.093 0.618 1
1 1 . 3 1 1 A 4 4 LEU H H 4 8.811 8.100 0.711 1
1 2 . 3 1 1 A 4 4 LEU HA H 4 4.574 4.171 0.403 1
1 10 . 3 1 1 A 5 5 PRO HA H 5 4.891 4.676 0.215 1
1 17 . 3 1 1 A 6 6 PRO HA H 6 4.392 4.691 -0.299 1
1 24 . 3 1 1 A 7 7 GLY H H 7 8.900 9.051 -0.151 1
1 25 . 3 1 1 A 7 7 GLY HA2 H 7 3.288 3.722 -0.434 1
1 26 . 3 1 1 A 7 7 GLY HA3 H 7 4.070 3.969 0.101 1
1 27 . 3 1 1 A 8 8 TRP H H 8 7.411 8.220 -0.809 1
1 28 . 3 1 1 A 8 8 TRP HA H 8 5.274 5.218 0.056 1
1 37 . 3 1 1 A 9 9 GLU H H 9 9.849 9.037 0.812 1
1 38 . 3 1 1 A 9 9 GLU HA H 9 4.875 4.832 0.043 1
1 41 . 3 1 1 A 10 10 LYS H H 10 9.066 8.577 0.489 1
1 42 . 3 1 1 A 10 10 LYS HA H 10 4.413 4.052 0.361 1
1 43 . 3 1 1 A 11 11 ARG H H 11 8.953 8.640 0.313 1
1 44 . 3 1 1 A 11 11 ARG HA H 11 4.464 4.622 -0.158 1
1 56 . 3 1 1 A 12 12 MET H H 12 8.342 8.759 -0.417 1
1 57 . 3 1 1 A 12 12 MET HA H 12 4.993 5.668 -0.675 1
1 60 . 3 1 1 A 13 13 SER H H 13 9.131 8.637 0.494 1
1 61 . 3 1 1 A 13 13 SER HA H 13 4.887 5.296 -0.409 1
1 64 . 3 1 1 A 14 14 ARG H H 14 10.000 9.087 0.913 1
1 65 . 3 1 1 A 14 14 ARG HA H 14 4.162 4.447 -0.285 1
1 67 . 3 1 1 A 15 15 SER H H 15 8.784 8.048 0.736 1
1 68 . 3 1 1 A 15 15 SER HA H 15 4.374 4.095 0.279 1
1 70 . 3 1 1 A 16 16 SER H H 16 8.333 7.831 0.502 1
1 71 . 3 1 1 A 16 16 SER HA H 16 4.312 4.797 -0.485 1
1 74 . 3 1 1 A 17 17 GLY H H 17 8.146 7.603 0.543 1
1 75 . 3 1 1 A 17 17 GLY HA2 H 17 4.152 4.273 -0.121 1
1 76 . 3 1 1 A 17 17 GLY HA3 H 17 3.978 4.292 -0.314 1
1 77 . 3 1 1 A 18 18 ARG H H 18 7.743 8.950 -1.207 1
1 78 . 3 1 1 A 18 18 ARG HA H 18 4.486 4.999 -0.513 1
1 88 . 3 1 1 A 19 19 VAL H H 19 8.681 9.137 -0.456 1
1 89 . 3 1 1 A 19 19 VAL HA H 19 4.708 4.982 -0.274 1
1 97 . 3 1 1 A 20 20 TYR H H 20 8.761 9.052 -0.291 1
1 98 . 3 1 1 A 20 20 TYR HA H 20 4.936 5.371 -0.435 1
1 105 . 3 1 1 A 21 21 TYR H H 21 9.100 9.577 -0.477 1
1 106 . 3 1 1 A 21 21 TYR HA H 21 5.302 5.362 -0.060 1
1 112 . 3 1 1 A 22 22 PHE H H 22 9.451 9.390 0.061 1
1 113 . 3 1 1 A 22 22 PHE HA H 22 5.687 5.111 0.576 1
1 117 . 3 1 1 A 23 23 ASN H H 23 8.267 7.900 0.367 1
1 118 . 3 1 1 A 23 23 ASN HA H 23 4.392 3.851 0.541 1
1 123 . 3 1 1 A 24 24 HIS H H 24 8.238 7.443 0.795 1
1 124 . 3 1 1 A 24 24 HIS HA H 24 4.174 4.458 -0.284 1
1 130 . 3 1 1 A 25 25 ILE H H 25 8.415 7.303 1.112 1
1 131 . 3 1 1 A 25 25 ILE HA H 25 3.864 3.636 0.228 1
1 141 . 3 1 1 A 26 26 THR H H 26 7.372 7.859 -0.487 1
1 142 . 3 1 1 A 26 26 THR HA H 26 4.117 4.323 -0.206 1
1 147 . 3 1 1 A 27 27 ASN H H 27 8.111 7.660 0.451 1
1 148 . 3 1 1 A 27 27 ASN HA H 27 4.157 4.108 0.049 1
1 153 . 3 1 1 A 28 28 ALA H H 28 7.173 7.442 -0.269 1
1 154 . 3 1 1 A 28 28 ALA HA H 28 4.460 4.314 0.146 1
1 158 . 3 1 1 A 29 29 SER H H 29 8.440 8.382 0.058 1
1 159 . 3 1 1 A 29 29 SER HA H 29 6.071 5.477 0.594 1
1 162 . 3 1 1 A 30 30 GLN H H 30 9.428 8.735 0.693 1
1 163 . 3 1 1 A 30 30 GLN HA H 30 4.865 4.412 0.453 1
1 168 . 3 1 1 A 31 31 TRP H H 31 8.494 8.197 0.297 1
1 169 . 3 1 1 A 31 31 TRP HA H 31 5.002 4.833 0.169 1
1 178 . 3 1 1 A 32 32 GLU H H 32 8.156 8.004 0.152 1
1 179 . 3 1 1 A 32 32 GLU HA H 32 4.422 4.297 0.125 1
1 182 . 3 1 1 A 33 33 ARG H H 33 8.677 8.713 -0.036 1
1 183 . 3 1 1 A 33 33 ARG HA H 33 2.627 4.699 -2.072 1
1 187 . 3 1 1 A 34 34 PRO HA H 34 3.938 4.954 -1.016 1
1 194 . 3 1 1 A 35 35 SER H H 35 8.070 8.519 -0.449 1
1 195 . 3 1 1 A 35 35 SER HA H 35 4.711 4.783 -0.072 1
1 1 . 4 1 1 A 4 4 LEU H H 4 8.811 7.934 0.877 1
1 2 . 4 1 1 A 4 4 LEU HA H 4 4.574 4.866 -0.292 1
1 10 . 4 1 1 A 5 5 PRO HA H 5 4.891 4.747 0.144 1
1 17 . 4 1 1 A 6 6 PRO HA H 6 4.392 4.276 0.116 1
1 24 . 4 1 1 A 7 7 GLY H H 7 8.900 8.681 0.219 1
1 25 . 4 1 1 A 7 7 GLY HA2 H 7 3.288 3.778 -0.490 1
1 26 . 4 1 1 A 7 7 GLY HA3 H 7 4.070 3.951 0.119 1
1 27 . 4 1 1 A 8 8 TRP H H 8 7.411 8.081 -0.670 1
1 28 . 4 1 1 A 8 8 TRP HA H 8 5.274 5.206 0.068 1
1 37 . 4 1 1 A 9 9 GLU H H 9 9.849 9.019 0.830 1
1 38 . 4 1 1 A 9 9 GLU HA H 9 4.875 5.153 -0.278 1
1 41 . 4 1 1 A 10 10 LYS H H 10 9.066 8.772 0.294 1
1 42 . 4 1 1 A 10 10 LYS HA H 10 4.413 4.787 -0.374 1
1 43 . 4 1 1 A 11 11 ARG H H 11 8.953 8.749 0.204 1
1 44 . 4 1 1 A 11 11 ARG HA H 11 4.464 4.646 -0.182 1
1 56 . 4 1 1 A 12 12 MET H H 12 8.342 8.823 -0.481 1
1 57 . 4 1 1 A 12 12 MET HA H 12 4.993 5.451 -0.458 1
1 60 . 4 1 1 A 13 13 SER H H 13 9.131 9.102 0.029 1
1 61 . 4 1 1 A 13 13 SER HA H 13 4.887 4.375 0.512 1
1 64 . 4 1 1 A 14 14 ARG H H 14 10.000 9.400 0.600 1
1 65 . 4 1 1 A 14 14 ARG HA H 14 4.162 3.917 0.245 1
1 67 . 4 1 1 A 15 15 SER H H 15 8.784 8.489 0.295 1
1 68 . 4 1 1 A 15 15 SER HA H 15 4.374 4.099 0.275 1
1 70 . 4 1 1 A 16 16 SER H H 16 8.333 8.221 0.112 1
1 71 . 4 1 1 A 16 16 SER HA H 16 4.312 4.750 -0.438 1
1 74 . 4 1 1 A 17 17 GLY H H 17 8.146 8.426 -0.280 1
1 75 . 4 1 1 A 17 17 GLY HA2 H 17 4.152 3.895 0.257 1
1 76 . 4 1 1 A 17 17 GLY HA3 H 17 3.978 3.907 0.071 1
1 77 . 4 1 1 A 18 18 ARG H H 18 7.743 7.449 0.294 1
1 78 . 4 1 1 A 18 18 ARG HA H 18 4.486 4.913 -0.427 1
1 88 . 4 1 1 A 19 19 VAL H H 19 8.681 8.800 -0.119 1
1 89 . 4 1 1 A 19 19 VAL HA H 19 4.708 4.989 -0.281 1
1 97 . 4 1 1 A 20 20 TYR H H 20 8.761 8.495 0.266 1
1 98 . 4 1 1 A 20 20 TYR HA H 20 4.936 4.063 0.873 1
1 105 . 4 1 1 A 21 21 TYR H H 21 9.100 8.121 0.979 1
1 106 . 4 1 1 A 21 21 TYR HA H 21 5.302 4.910 0.392 1
1 112 . 4 1 1 A 22 22 PHE H H 22 9.451 9.342 0.109 1
1 113 . 4 1 1 A 22 22 PHE HA H 22 5.687 5.009 0.678 1
1 117 . 4 1 1 A 23 23 ASN H H 23 8.267 7.831 0.436 1
1 118 . 4 1 1 A 23 23 ASN HA H 23 4.392 3.635 0.757 1
1 123 . 4 1 1 A 24 24 HIS H H 24 8.238 7.923 0.315 1
1 124 . 4 1 1 A 24 24 HIS HA H 24 4.174 4.249 -0.075 1
1 130 . 4 1 1 A 25 25 ILE H H 25 8.415 7.070 1.345 1
1 131 . 4 1 1 A 25 25 ILE HA H 25 3.864 3.508 0.356 1
1 141 . 4 1 1 A 26 26 THR H H 26 7.372 7.633 -0.261 1
1 142 . 4 1 1 A 26 26 THR HA H 26 4.117 4.384 -0.267 1
1 147 . 4 1 1 A 27 27 ASN H H 27 8.111 7.715 0.396 1
1 148 . 4 1 1 A 27 27 ASN HA H 27 4.157 4.129 0.028 1
1 153 . 4 1 1 A 28 28 ALA H H 28 7.173 7.413 -0.240 1
1 154 . 4 1 1 A 28 28 ALA HA H 28 4.460 4.521 -0.061 1
1 158 . 4 1 1 A 29 29 SER H H 29 8.440 8.790 -0.350 1
1 159 . 4 1 1 A 29 29 SER HA H 29 6.071 5.683 0.388 1
1 162 . 4 1 1 A 30 30 GLN H H 30 9.428 8.206 1.222 1
1 163 . 4 1 1 A 30 30 GLN HA H 30 4.865 4.185 0.680 1
1 168 . 4 1 1 A 31 31 TRP H H 31 8.494 8.215 0.279 1
1 169 . 4 1 1 A 31 31 TRP HA H 31 5.002 4.645 0.357 1
1 178 . 4 1 1 A 32 32 GLU H H 32 8.156 7.885 0.271 1
1 179 . 4 1 1 A 32 32 GLU HA H 32 4.422 4.549 -0.127 1
1 182 . 4 1 1 A 33 33 ARG H H 33 8.677 8.468 0.209 1
1 183 . 4 1 1 A 33 33 ARG HA H 33 2.627 4.659 -2.032 1
1 187 . 4 1 1 A 34 34 PRO HA H 34 3.938 4.459 -0.521 1
1 194 . 4 1 1 A 35 35 SER H H 35 8.070 8.386 -0.316 1
1 195 . 4 1 1 A 35 35 SER HA H 35 4.711 4.746 -0.035 1
1 1 . 5 1 1 A 4 4 LEU H H 4 8.811 7.751 1.060 1
1 2 . 5 1 1 A 4 4 LEU HA H 4 4.574 4.461 0.113 1
1 10 . 5 1 1 A 5 5 PRO HA H 5 4.891 4.711 0.180 1
1 17 . 5 1 1 A 6 6 PRO HA H 6 4.392 4.328 0.064 1
1 24 . 5 1 1 A 7 7 GLY H H 7 8.900 8.930 -0.030 1
1 25 . 5 1 1 A 7 7 GLY HA2 H 7 3.288 3.703 -0.415 1
1 26 . 5 1 1 A 7 7 GLY HA3 H 7 4.070 3.967 0.103 1
1 27 . 5 1 1 A 8 8 TRP H H 8 7.411 8.019 -0.608 1
1 28 . 5 1 1 A 8 8 TRP HA H 8 5.274 5.116 0.158 1
1 37 . 5 1 1 A 9 9 GLU H H 9 9.849 9.160 0.689 1
1 38 . 5 1 1 A 9 9 GLU HA H 9 4.875 5.086 -0.211 1
1 41 . 5 1 1 A 10 10 LYS H H 10 9.066 8.765 0.301 1
1 42 . 5 1 1 A 10 10 LYS HA H 10 4.413 4.599 -0.186 1
1 43 . 5 1 1 A 11 11 ARG H H 11 8.953 8.604 0.349 1
1 44 . 5 1 1 A 11 11 ARG HA H 11 4.464 4.762 -0.298 1
1 56 . 5 1 1 A 12 12 MET H H 12 8.342 9.066 -0.724 1
1 57 . 5 1 1 A 12 12 MET HA H 12 4.993 5.105 -0.112 1
1 60 . 5 1 1 A 13 13 SER H H 13 9.131 8.397 0.734 1
1 61 . 5 1 1 A 13 13 SER HA H 13 4.887 4.878 0.009 1
1 64 . 5 1 1 A 14 14 ARG H H 14 10.000 9.178 0.822 1
1 65 . 5 1 1 A 14 14 ARG HA H 14 4.162 4.139 0.023 1
1 67 . 5 1 1 A 15 15 SER H H 15 8.784 7.744 1.040 1
1 68 . 5 1 1 A 15 15 SER HA H 15 4.374 4.246 0.128 1
1 70 . 5 1 1 A 16 16 SER H H 16 8.333 7.395 0.938 1
1 71 . 5 1 1 A 16 16 SER HA H 16 4.312 4.634 -0.322 1
1 74 . 5 1 1 A 17 17 GLY H H 17 8.146 8.510 -0.364 1
1 75 . 5 1 1 A 17 17 GLY HA2 H 17 4.152 3.923 0.229 1
1 76 . 5 1 1 A 17 17 GLY HA3 H 17 3.978 3.931 0.047 1
1 77 . 5 1 1 A 18 18 ARG H H 18 7.743 7.726 0.017 1
1 78 . 5 1 1 A 18 18 ARG HA H 18 4.486 4.379 0.107 1
1 88 . 5 1 1 A 19 19 VAL H H 19 8.681 8.815 -0.134 1
1 89 . 5 1 1 A 19 19 VAL HA H 19 4.708 5.129 -0.421 1
1 97 . 5 1 1 A 20 20 TYR H H 20 8.761 8.574 0.187 1
1 98 . 5 1 1 A 20 20 TYR HA H 20 4.936 4.787 0.149 1
1 105 . 5 1 1 A 21 21 TYR H H 21 9.100 8.966 0.134 1
1 106 . 5 1 1 A 21 21 TYR HA H 21 5.302 4.941 0.361 1
1 112 . 5 1 1 A 22 22 PHE H H 22 9.451 9.531 -0.080 1
1 113 . 5 1 1 A 22 22 PHE HA H 22 5.687 5.022 0.665 1
1 117 . 5 1 1 A 23 23 ASN H H 23 8.267 7.839 0.428 1
1 118 . 5 1 1 A 23 23 ASN HA H 23 4.392 3.688 0.704 1
1 123 . 5 1 1 A 24 24 HIS H H 24 8.238 7.817 0.421 1
1 124 . 5 1 1 A 24 24 HIS HA H 24 4.174 4.536 -0.362 1
1 130 . 5 1 1 A 25 25 ILE H H 25 8.415 7.700 0.715 1
1 131 . 5 1 1 A 25 25 ILE HA H 25 3.864 4.059 -0.195 1
1 141 . 5 1 1 A 26 26 THR H H 26 7.372 8.046 -0.674 1
1 142 . 5 1 1 A 26 26 THR HA H 26 4.117 4.250 -0.133 1
1 147 . 5 1 1 A 27 27 ASN H H 27 8.111 7.779 0.332 1
1 148 . 5 1 1 A 27 27 ASN HA H 27 4.157 3.969 0.188 1
1 153 . 5 1 1 A 28 28 ALA H H 28 7.173 7.444 -0.271 1
1 154 . 5 1 1 A 28 28 ALA HA H 28 4.460 4.229 0.231 1
1 158 . 5 1 1 A 29 29 SER H H 29 8.440 8.586 -0.146 1
1 159 . 5 1 1 A 29 29 SER HA H 29 6.071 5.750 0.321 1
1 162 . 5 1 1 A 30 30 GLN H H 30 9.428 8.433 0.995 1
1 163 . 5 1 1 A 30 30 GLN HA H 30 4.865 4.108 0.757 1
1 168 . 5 1 1 A 31 31 TRP H H 31 8.494 8.070 0.424 1
1 169 . 5 1 1 A 31 31 TRP HA H 31 5.002 4.693 0.309 1
1 178 . 5 1 1 A 32 32 GLU H H 32 8.156 7.803 0.353 1
1 179 . 5 1 1 A 32 32 GLU HA H 32 4.422 4.423 -0.001 1
1 182 . 5 1 1 A 33 33 ARG H H 33 8.677 8.198 0.479 1
1 183 . 5 1 1 A 33 33 ARG HA H 33 2.627 4.917 -2.290 1
1 187 . 5 1 1 A 34 34 PRO HA H 34 3.938 4.855 -0.917 1
1 194 . 5 1 1 A 35 35 SER H H 35 8.070 8.906 -0.836 1
1 195 . 5 1 1 A 35 35 SER HA H 35 4.711 4.739 -0.028 1
1 1 . 6 1 1 A 4 4 LEU H H 4 8.811 8.397 0.414 1
1 2 . 6 1 1 A 4 4 LEU HA H 4 4.574 4.599 -0.025 1
1 10 . 6 1 1 A 5 5 PRO HA H 5 4.891 4.661 0.230 1
1 17 . 6 1 1 A 6 6 PRO HA H 6 4.392 4.301 0.091 1
1 24 . 6 1 1 A 7 7 GLY H H 7 8.900 8.989 -0.089 1
1 25 . 6 1 1 A 7 7 GLY HA2 H 7 3.288 3.734 -0.446 1
1 26 . 6 1 1 A 7 7 GLY HA3 H 7 4.070 3.751 0.319 1
1 27 . 6 1 1 A 8 8 TRP H H 8 7.411 8.089 -0.678 1
1 28 . 6 1 1 A 8 8 TRP HA H 8 5.274 5.165 0.109 1
1 37 . 6 1 1 A 9 9 GLU H H 9 9.849 8.573 1.276 1
1 38 . 6 1 1 A 9 9 GLU HA H 9 4.875 4.814 0.061 1
1 41 . 6 1 1 A 10 10 LYS H H 10 9.066 8.618 0.448 1
1 42 . 6 1 1 A 10 10 LYS HA H 10 4.413 4.486 -0.073 1
1 43 . 6 1 1 A 11 11 ARG H H 11 8.953 8.667 0.286 1
1 44 . 6 1 1 A 11 11 ARG HA H 11 4.464 4.469 -0.005 1
1 56 . 6 1 1 A 12 12 MET H H 12 8.342 8.947 -0.605 1
1 57 . 6 1 1 A 12 12 MET HA H 12 4.993 5.528 -0.535 1
1 60 . 6 1 1 A 13 13 SER H H 13 9.131 8.771 0.360 1
1 61 . 6 1 1 A 13 13 SER HA H 13 4.887 4.726 0.161 1
1 64 . 6 1 1 A 14 14 ARG H H 14 10.000 8.806 1.194 1
1 65 . 6 1 1 A 14 14 ARG HA H 14 4.162 3.999 0.163 1
1 67 . 6 1 1 A 15 15 SER H H 15 8.784 8.453 0.331 1
1 68 . 6 1 1 A 15 15 SER HA H 15 4.374 4.142 0.232 1
1 70 . 6 1 1 A 16 16 SER H H 16 8.333 8.508 -0.175 1
1 71 . 6 1 1 A 16 16 SER HA H 16 4.312 4.953 -0.641 1
1 74 . 6 1 1 A 17 17 GLY H H 17 8.146 8.295 -0.149 1
1 75 . 6 1 1 A 17 17 GLY HA2 H 17 4.152 3.975 0.177 1
1 76 . 6 1 1 A 17 17 GLY HA3 H 17 3.978 3.984 -0.006 1
1 77 . 6 1 1 A 18 18 ARG H H 18 7.743 7.264 0.479 1
1 78 . 6 1 1 A 18 18 ARG HA H 18 4.486 5.019 -0.533 1
1 88 . 6 1 1 A 19 19 VAL H H 19 8.681 9.038 -0.357 1
1 89 . 6 1 1 A 19 19 VAL HA H 19 4.708 5.094 -0.386 1
1 97 . 6 1 1 A 20 20 TYR H H 20 8.761 8.619 0.142 1
1 98 . 6 1 1 A 20 20 TYR HA H 20 4.936 4.600 0.336 1
1 105 . 6 1 1 A 21 21 TYR H H 21 9.100 8.876 0.224 1
1 106 . 6 1 1 A 21 21 TYR HA H 21 5.302 5.092 0.210 1
1 112 . 6 1 1 A 22 22 PHE H H 22 9.451 9.279 0.172 1
1 113 . 6 1 1 A 22 22 PHE HA H 22 5.687 5.222 0.465 1
1 117 . 6 1 1 A 23 23 ASN H H 23 8.267 7.663 0.604 1
1 118 . 6 1 1 A 23 23 ASN HA H 23 4.392 3.349 1.043 1
1 123 . 6 1 1 A 24 24 HIS H H 24 8.238 7.878 0.360 1
1 124 . 6 1 1 A 24 24 HIS HA H 24 4.174 4.274 -0.100 1
1 130 . 6 1 1 A 25 25 ILE H H 25 8.415 7.086 1.329 1
1 131 . 6 1 1 A 25 25 ILE HA H 25 3.864 3.969 -0.105 1
1 141 . 6 1 1 A 26 26 THR H H 26 7.372 7.664 -0.292 1
1 142 . 6 1 1 A 26 26 THR HA H 26 4.117 4.200 -0.083 1
1 147 . 6 1 1 A 27 27 ASN H H 27 8.111 7.810 0.301 1
1 148 . 6 1 1 A 27 27 ASN HA H 27 4.157 4.150 0.007 1
1 153 . 6 1 1 A 28 28 ALA H H 28 7.173 6.559 0.614 1
1 154 . 6 1 1 A 28 28 ALA HA H 28 4.460 4.926 -0.466 1
1 158 . 6 1 1 A 29 29 SER H H 29 8.440 8.604 -0.164 1
1 159 . 6 1 1 A 29 29 SER HA H 29 6.071 5.760 0.311 1
1 162 . 6 1 1 A 30 30 GLN H H 30 9.428 8.569 0.859 1
1 163 . 6 1 1 A 30 30 GLN HA H 30 4.865 4.064 0.801 1
1 168 . 6 1 1 A 31 31 TRP H H 31 8.494 8.055 0.439 1
1 169 . 6 1 1 A 31 31 TRP HA H 31 5.002 4.736 0.266 1
1 178 . 6 1 1 A 32 32 GLU H H 32 8.156 7.912 0.244 1
1 179 . 6 1 1 A 32 32 GLU HA H 32 4.422 4.440 -0.018 1
1 182 . 6 1 1 A 33 33 ARG H H 33 8.677 8.878 -0.201 1
1 183 . 6 1 1 A 33 33 ARG HA H 33 2.627 5.135 -2.508 1
1 187 . 6 1 1 A 34 34 PRO HA H 34 3.938 4.994 -1.056 1
1 194 . 6 1 1 A 35 35 SER H H 35 8.070 8.833 -0.763 1
1 195 . 6 1 1 A 35 35 SER HA H 35 4.711 4.842 -0.131 1
1 1 . 7 1 1 A 4 4 LEU H H 4 8.811 7.913 0.898 1
1 2 . 7 1 1 A 4 4 LEU HA H 4 4.574 4.770 -0.196 1
1 10 . 7 1 1 A 5 5 PRO HA H 5 4.891 4.754 0.137 1
1 17 . 7 1 1 A 6 6 PRO HA H 6 4.392 4.316 0.076 1
1 24 . 7 1 1 A 7 7 GLY H H 7 8.900 8.952 -0.052 1
1 25 . 7 1 1 A 7 7 GLY HA2 H 7 3.288 3.706 -0.418 1
1 26 . 7 1 1 A 7 7 GLY HA3 H 7 4.070 3.799 0.271 1
1 27 . 7 1 1 A 8 8 TRP H H 8 7.411 8.051 -0.640 1
1 28 . 7 1 1 A 8 8 TRP HA H 8 5.274 5.229 0.045 1
1 37 . 7 1 1 A 9 9 GLU H H 9 9.849 8.956 0.893 1
1 38 . 7 1 1 A 9 9 GLU HA H 9 4.875 4.837 0.038 1
1 41 . 7 1 1 A 10 10 LYS H H 10 9.066 8.564 0.502 1
1 42 . 7 1 1 A 10 10 LYS HA H 10 4.413 4.672 -0.259 1
1 43 . 7 1 1 A 11 11 ARG H H 11 8.953 8.785 0.168 1
1 44 . 7 1 1 A 11 11 ARG HA H 11 4.464 4.924 -0.460 1
1 56 . 7 1 1 A 12 12 MET H H 12 8.342 8.890 -0.548 1
1 57 . 7 1 1 A 12 12 MET HA H 12 4.993 5.097 -0.104 1
1 60 . 7 1 1 A 13 13 SER H H 13 9.131 9.291 -0.160 1
1 61 . 7 1 1 A 13 13 SER HA H 13 4.887 4.942 -0.055 1
1 64 . 7 1 1 A 14 14 ARG H H 14 10.000 9.212 0.788 1
1 65 . 7 1 1 A 14 14 ARG HA H 14 4.162 3.959 0.203 1
1 67 . 7 1 1 A 15 15 SER H H 15 8.784 8.484 0.300 1
1 68 . 7 1 1 A 15 15 SER HA H 15 4.374 4.285 0.089 1
1 70 . 7 1 1 A 16 16 SER H H 16 8.333 8.598 -0.265 1
1 71 . 7 1 1 A 16 16 SER HA H 16 4.312 4.547 -0.235 1
1 74 . 7 1 1 A 17 17 GLY H H 17 8.146 8.617 -0.471 1
1 75 . 7 1 1 A 17 17 GLY HA2 H 17 4.152 4.122 0.030 1
1 76 . 7 1 1 A 17 17 GLY HA3 H 17 3.978 4.135 -0.157 1
1 77 . 7 1 1 A 18 18 ARG H H 18 7.743 8.177 -0.434 1
1 78 . 7 1 1 A 18 18 ARG HA H 18 4.486 4.702 -0.216 1
1 88 . 7 1 1 A 19 19 VAL H H 19 8.681 8.797 -0.116 1
1 89 . 7 1 1 A 19 19 VAL HA H 19 4.708 4.918 -0.210 1
1 97 . 7 1 1 A 20 20 TYR H H 20 8.761 8.592 0.169 1
1 98 . 7 1 1 A 20 20 TYR HA H 20 4.936 4.517 0.419 1
1 105 . 7 1 1 A 21 21 TYR H H 21 9.100 9.028 0.072 1
1 106 . 7 1 1 A 21 21 TYR HA H 21 5.302 5.351 -0.049 1
1 112 . 7 1 1 A 22 22 PHE H H 22 9.451 9.601 -0.150 1
1 113 . 7 1 1 A 22 22 PHE HA H 22 5.687 5.639 0.048 1
1 117 . 7 1 1 A 23 23 ASN H H 23 8.267 7.800 0.467 1
1 118 . 7 1 1 A 23 23 ASN HA H 23 4.392 3.534 0.858 1
1 123 . 7 1 1 A 24 24 HIS H H 24 8.238 7.768 0.470 1
1 124 . 7 1 1 A 24 24 HIS HA H 24 4.174 3.625 0.549 1
1 130 . 7 1 1 A 25 25 ILE H H 25 8.415 7.528 0.887 1
1 131 . 7 1 1 A 25 25 ILE HA H 25 3.864 3.854 0.010 1
1 141 . 7 1 1 A 26 26 THR H H 26 7.372 7.722 -0.350 1
1 142 . 7 1 1 A 26 26 THR HA H 26 4.117 4.277 -0.160 1
1 147 . 7 1 1 A 27 27 ASN H H 27 8.111 7.926 0.185 1
1 148 . 7 1 1 A 27 27 ASN HA H 27 4.157 4.724 -0.567 1
1 153 . 7 1 1 A 28 28 ALA H H 28 7.173 7.653 -0.480 1
1 154 . 7 1 1 A 28 28 ALA HA H 28 4.460 4.918 -0.458 1
1 158 . 7 1 1 A 29 29 SER H H 29 8.440 9.001 -0.561 1
1 159 . 7 1 1 A 29 29 SER HA H 29 6.071 5.410 0.661 1
1 162 . 7 1 1 A 30 30 GLN H H 30 9.428 9.038 0.390 1
1 163 . 7 1 1 A 30 30 GLN HA H 30 4.865 4.891 -0.026 1
1 168 . 7 1 1 A 31 31 TRP H H 31 8.494 8.699 -0.205 1
1 169 . 7 1 1 A 31 31 TRP HA H 31 5.002 4.889 0.113 1
1 178 . 7 1 1 A 32 32 GLU H H 32 8.156 7.833 0.323 1
1 179 . 7 1 1 A 32 32 GLU HA H 32 4.422 4.044 0.378 1
1 182 . 7 1 1 A 33 33 ARG H H 33 8.677 8.816 -0.139 1
1 183 . 7 1 1 A 33 33 ARG HA H 33 2.627 4.667 -2.040 1
1 187 . 7 1 1 A 34 34 PRO HA H 34 3.938 4.647 -0.709 1
1 194 . 7 1 1 A 35 35 SER H H 35 8.070 8.713 -0.643 1
1 195 . 7 1 1 A 35 35 SER HA H 35 4.711 4.713 -0.002 1
1 1 . 8 1 1 A 4 4 LEU H H 4 8.811 8.377 0.434 1
1 2 . 8 1 1 A 4 4 LEU HA H 4 4.574 4.758 -0.184 1
1 10 . 8 1 1 A 5 5 PRO HA H 5 4.891 4.685 0.206 1
1 17 . 8 1 1 A 6 6 PRO HA H 6 4.392 4.669 -0.277 1
1 24 . 8 1 1 A 7 7 GLY H H 7 8.900 8.874 0.026 1
1 25 . 8 1 1 A 7 7 GLY HA2 H 7 3.288 3.392 -0.104 1
1 26 . 8 1 1 A 7 7 GLY HA3 H 7 4.070 4.015 0.055 1
1 27 . 8 1 1 A 8 8 TRP H H 8 7.411 8.033 -0.622 1
1 28 . 8 1 1 A 8 8 TRP HA H 8 5.274 5.349 -0.075 1
1 37 . 8 1 1 A 9 9 GLU H H 9 9.849 8.792 1.057 1
1 38 . 8 1 1 A 9 9 GLU HA H 9 4.875 4.933 -0.058 1
1 41 . 8 1 1 A 10 10 LYS H H 10 9.066 8.273 0.793 1
1 42 . 8 1 1 A 10 10 LYS HA H 10 4.413 4.443 -0.030 1
1 43 . 8 1 1 A 11 11 ARG H H 11 8.953 8.349 0.604 1
1 44 . 8 1 1 A 11 11 ARG HA H 11 4.464 4.837 -0.373 1
1 56 . 8 1 1 A 12 12 MET H H 12 8.342 8.594 -0.252 1
1 57 . 8 1 1 A 12 12 MET HA H 12 4.993 5.581 -0.588 1
1 60 . 8 1 1 A 13 13 SER H H 13 9.131 9.060 0.071 1
1 61 . 8 1 1 A 13 13 SER HA H 13 4.887 5.030 -0.143 1
1 64 . 8 1 1 A 14 14 ARG H H 14 10.000 8.837 1.163 1
1 65 . 8 1 1 A 14 14 ARG HA H 14 4.162 4.425 -0.263 1
1 67 . 8 1 1 A 15 15 SER H H 15 8.784 7.355 1.429 1
1 68 . 8 1 1 A 15 15 SER HA H 15 4.374 4.387 -0.013 1
1 70 . 8 1 1 A 16 16 SER H H 16 8.333 8.952 -0.619 1
1 71 . 8 1 1 A 16 16 SER HA H 16 4.312 4.251 0.061 1
1 74 . 8 1 1 A 17 17 GLY H H 17 8.146 9.005 -0.859 1
1 75 . 8 1 1 A 17 17 GLY HA2 H 17 4.152 3.995 0.157 1
1 76 . 8 1 1 A 17 17 GLY HA3 H 17 3.978 4.014 -0.036 1
1 77 . 8 1 1 A 18 18 ARG H H 18 7.743 7.570 0.173 1
1 78 . 8 1 1 A 18 18 ARG HA H 18 4.486 4.751 -0.265 1
1 88 . 8 1 1 A 19 19 VAL H H 19 8.681 8.898 -0.217 1
1 89 . 8 1 1 A 19 19 VAL HA H 19 4.708 4.757 -0.049 1
1 97 . 8 1 1 A 20 20 TYR H H 20 8.761 8.146 0.615 1
1 98 . 8 1 1 A 20 20 TYR HA H 20 4.936 4.613 0.323 1
1 105 . 8 1 1 A 21 21 TYR H H 21 9.100 9.251 -0.151 1
1 106 . 8 1 1 A 21 21 TYR HA H 21 5.302 5.104 0.198 1
1 112 . 8 1 1 A 22 22 PHE H H 22 9.451 9.374 0.077 1
1 113 . 8 1 1 A 22 22 PHE HA H 22 5.687 5.457 0.230 1
1 117 . 8 1 1 A 23 23 ASN H H 23 8.267 7.568 0.699 1
1 118 . 8 1 1 A 23 23 ASN HA H 23 4.392 3.762 0.630 1
1 123 . 8 1 1 A 24 24 HIS H H 24 8.238 8.259 -0.021 1
1 124 . 8 1 1 A 24 24 HIS HA H 24 4.174 4.783 -0.609 1
1 130 . 8 1 1 A 25 25 ILE H H 25 8.415 7.500 0.915 1
1 131 . 8 1 1 A 25 25 ILE HA H 25 3.864 3.858 0.006 1
1 141 . 8 1 1 A 26 26 THR H H 26 7.372 8.194 -0.822 1
1 142 . 8 1 1 A 26 26 THR HA H 26 4.117 4.273 -0.156 1
1 147 . 8 1 1 A 27 27 ASN H H 27 8.111 7.772 0.339 1
1 148 . 8 1 1 A 27 27 ASN HA H 27 4.157 4.134 0.023 1
1 153 . 8 1 1 A 28 28 ALA H H 28 7.173 7.469 -0.296 1
1 154 . 8 1 1 A 28 28 ALA HA H 28 4.460 4.407 0.053 1
1 158 . 8 1 1 A 29 29 SER H H 29 8.440 8.643 -0.203 1
1 159 . 8 1 1 A 29 29 SER HA H 29 6.071 5.988 0.083 1
1 162 . 8 1 1 A 30 30 GLN H H 30 9.428 8.238 1.190 1
1 163 . 8 1 1 A 30 30 GLN HA H 30 4.865 4.003 0.862 1
1 168 . 8 1 1 A 31 31 TRP H H 31 8.494 8.307 0.187 1
1 169 . 8 1 1 A 31 31 TRP HA H 31 5.002 4.698 0.304 1
1 178 . 8 1 1 A 32 32 GLU H H 32 8.156 7.662 0.494 1
1 179 . 8 1 1 A 32 32 GLU HA H 32 4.422 4.384 0.038 1
1 182 . 8 1 1 A 33 33 ARG H H 33 8.677 8.266 0.411 1
1 183 . 8 1 1 A 33 33 ARG HA H 33 2.627 5.049 -2.422 1
1 187 . 8 1 1 A 34 34 PRO HA H 34 3.938 5.068 -1.130 1
1 194 . 8 1 1 A 35 35 SER H H 35 8.070 8.620 -0.550 1
1 195 . 8 1 1 A 35 35 SER HA H 35 4.711 5.010 -0.299 1
1 1 . 9 1 1 A 4 4 LEU H H 4 8.811 7.768 1.043 1
1 2 . 9 1 1 A 4 4 LEU HA H 4 4.574 4.465 0.109 1
1 10 . 9 1 1 A 5 5 PRO HA H 5 4.891 4.658 0.233 1
1 17 . 9 1 1 A 6 6 PRO HA H 6 4.392 4.311 0.081 1
1 24 . 9 1 1 A 7 7 GLY H H 7 8.900 8.988 -0.088 1
1 25 . 9 1 1 A 7 7 GLY HA2 H 7 3.288 3.557 -0.269 1
1 26 . 9 1 1 A 7 7 GLY HA3 H 7 4.070 3.891 0.179 1
1 27 . 9 1 1 A 8 8 TRP H H 8 7.411 7.902 -0.491 1
1 28 . 9 1 1 A 8 8 TRP HA H 8 5.274 4.765 0.509 1
1 37 . 9 1 1 A 9 9 GLU H H 9 9.849 8.890 0.959 1
1 38 . 9 1 1 A 9 9 GLU HA H 9 4.875 4.512 0.363 1
1 41 . 9 1 1 A 10 10 LYS H H 10 9.066 7.949 1.117 1
1 42 . 9 1 1 A 10 10 LYS HA H 10 4.413 3.869 0.544 1
1 43 . 9 1 1 A 11 11 ARG H H 11 8.953 8.669 0.284 1
1 44 . 9 1 1 A 11 11 ARG HA H 11 4.464 4.808 -0.344 1
1 56 . 9 1 1 A 12 12 MET H H 12 8.342 8.611 -0.269 1
1 57 . 9 1 1 A 12 12 MET HA H 12 4.993 5.755 -0.762 1
1 60 . 9 1 1 A 13 13 SER H H 13 9.131 9.022 0.109 1
1 61 . 9 1 1 A 13 13 SER HA H 13 4.887 4.839 0.048 1
1 64 . 9 1 1 A 14 14 ARG H H 14 10.000 8.723 1.277 1
1 65 . 9 1 1 A 14 14 ARG HA H 14 4.162 4.049 0.113 1
1 67 . 9 1 1 A 15 15 SER H H 15 8.784 8.454 0.330 1
1 68 . 9 1 1 A 15 15 SER HA H 15 4.374 4.042 0.332 1
1 70 . 9 1 1 A 16 16 SER H H 16 8.333 8.411 -0.078 1
1 71 . 9 1 1 A 16 16 SER HA H 16 4.312 4.229 0.083 1
1 74 . 9 1 1 A 17 17 GLY H H 17 8.146 8.382 -0.236 1
1 75 . 9 1 1 A 17 17 GLY HA2 H 17 4.152 3.868 0.284 1
1 76 . 9 1 1 A 17 17 GLY HA3 H 17 3.978 3.870 0.108 1
1 77 . 9 1 1 A 18 18 ARG H H 18 7.743 7.449 0.294 1
1 78 . 9 1 1 A 18 18 ARG HA H 18 4.486 4.452 0.034 1
1 88 . 9 1 1 A 19 19 VAL H H 19 8.681 8.869 -0.188 1
1 89 . 9 1 1 A 19 19 VAL HA H 19 4.708 4.744 -0.036 1
1 97 . 9 1 1 A 20 20 TYR H H 20 8.761 8.162 0.599 1
1 98 . 9 1 1 A 20 20 TYR HA H 20 4.936 4.118 0.818 1
1 105 . 9 1 1 A 21 21 TYR H H 21 9.100 9.009 0.091 1
1 106 . 9 1 1 A 21 21 TYR HA H 21 5.302 5.058 0.244 1
1 112 . 9 1 1 A 22 22 PHE H H 22 9.451 8.877 0.574 1
1 113 . 9 1 1 A 22 22 PHE HA H 22 5.687 5.044 0.643 1
1 117 . 9 1 1 A 23 23 ASN H H 23 8.267 7.480 0.787 1
1 118 . 9 1 1 A 23 23 ASN HA H 23 4.392 4.651 -0.259 1
1 123 . 9 1 1 A 24 24 HIS H H 24 8.238 7.719 0.519 1
1 124 . 9 1 1 A 24 24 HIS HA H 24 4.174 4.111 0.063 1
1 130 . 9 1 1 A 25 25 ILE H H 25 8.415 7.161 1.254 1
1 131 . 9 1 1 A 25 25 ILE HA H 25 3.864 3.532 0.332 1
1 141 . 9 1 1 A 26 26 THR H H 26 7.372 7.297 0.075 1
1 142 . 9 1 1 A 26 26 THR HA H 26 4.117 4.426 -0.309 1
1 147 . 9 1 1 A 27 27 ASN H H 27 8.111 7.766 0.345 1
1 148 . 9 1 1 A 27 27 ASN HA H 27 4.157 4.171 -0.014 1
1 153 . 9 1 1 A 28 28 ALA H H 28 7.173 7.294 -0.121 1
1 154 . 9 1 1 A 28 28 ALA HA H 28 4.460 4.465 -0.005 1
1 158 . 9 1 1 A 29 29 SER H H 29 8.440 8.807 -0.367 1
1 159 . 9 1 1 A 29 29 SER HA H 29 6.071 5.634 0.437 1
1 162 . 9 1 1 A 30 30 GLN H H 30 9.428 8.090 1.338 1
1 163 . 9 1 1 A 30 30 GLN HA H 30 4.865 4.197 0.668 1
1 168 . 9 1 1 A 31 31 TRP H H 31 8.494 8.252 0.242 1
1 169 . 9 1 1 A 31 31 TRP HA H 31 5.002 4.657 0.345 1
1 178 . 9 1 1 A 32 32 GLU H H 32 8.156 7.600 0.556 1
1 179 . 9 1 1 A 32 32 GLU HA H 32 4.422 4.363 0.059 1
1 182 . 9 1 1 A 33 33 ARG H H 33 8.677 8.404 0.273 1
1 183 . 9 1 1 A 33 33 ARG HA H 33 2.627 5.007 -2.380 1
1 187 . 9 1 1 A 34 34 PRO HA H 34 3.938 4.629 -0.691 1
1 194 . 9 1 1 A 35 35 SER H H 35 8.070 8.455 -0.385 1
1 195 . 9 1 1 A 35 35 SER HA H 35 4.711 4.569 0.142 1
1 1 . 10 1 1 A 4 4 LEU H H 4 8.811 7.523 1.288 1
1 2 . 10 1 1 A 4 4 LEU HA H 4 4.574 4.238 0.336 1
1 10 . 10 1 1 A 5 5 PRO HA H 5 4.891 4.688 0.203 1
1 17 . 10 1 1 A 6 6 PRO HA H 6 4.392 4.283 0.109 1
1 24 . 10 1 1 A 7 7 GLY H H 7 8.900 8.948 -0.048 1
1 25 . 10 1 1 A 7 7 GLY HA2 H 7 3.288 3.854 -0.566 1
1 26 . 10 1 1 A 7 7 GLY HA3 H 7 4.070 4.119 -0.049 1
1 27 . 10 1 1 A 8 8 TRP H H 8 7.411 8.111 -0.700 1
1 28 . 10 1 1 A 8 8 TRP HA H 8 5.274 5.055 0.219 1
1 37 . 10 1 1 A 9 9 GLU H H 9 9.849 9.205 0.644 1
1 38 . 10 1 1 A 9 9 GLU HA H 9 4.875 5.013 -0.138 1
1 41 . 10 1 1 A 10 10 LYS H H 10 9.066 8.848 0.218 1
1 42 . 10 1 1 A 10 10 LYS HA H 10 4.413 4.634 -0.221 1
1 43 . 10 1 1 A 11 11 ARG H H 11 8.953 8.184 0.769 1
1 44 . 10 1 1 A 11 11 ARG HA H 11 4.464 4.503 -0.039 1
1 56 . 10 1 1 A 12 12 MET H H 12 8.342 8.842 -0.500 1
1 57 . 10 1 1 A 12 12 MET HA H 12 4.993 5.683 -0.690 1
1 60 . 10 1 1 A 13 13 SER H H 13 9.131 8.770 0.361 1
1 61 . 10 1 1 A 13 13 SER HA H 13 4.887 4.795 0.092 1
1 64 . 10 1 1 A 14 14 ARG H H 14 10.000 8.706 1.294 1
1 65 . 10 1 1 A 14 14 ARG HA H 14 4.162 4.254 -0.092 1
1 67 . 10 1 1 A 15 15 SER H H 15 8.784 7.395 1.389 1
1 68 . 10 1 1 A 15 15 SER HA H 15 4.374 4.390 -0.016 1
1 70 . 10 1 1 A 16 16 SER H H 16 8.333 9.221 -0.888 1
1 71 . 10 1 1 A 16 16 SER HA H 16 4.312 4.167 0.145 1
1 74 . 10 1 1 A 17 17 GLY H H 17 8.146 8.652 -0.506 1
1 75 . 10 1 1 A 17 17 GLY HA2 H 17 4.152 3.944 0.208 1
1 76 . 10 1 1 A 17 17 GLY HA3 H 17 3.978 3.948 0.030 1
1 77 . 10 1 1 A 18 18 ARG H H 18 7.743 7.350 0.393 1
1 78 . 10 1 1 A 18 18 ARG HA H 18 4.486 4.383 0.103 1
1 88 . 10 1 1 A 19 19 VAL H H 19 8.681 8.678 0.003 1
1 89 . 10 1 1 A 19 19 VAL HA H 19 4.708 4.905 -0.197 1
1 97 . 10 1 1 A 20 20 TYR H H 20 8.761 8.561 0.200 1
1 98 . 10 1 1 A 20 20 TYR HA H 20 4.936 4.599 0.337 1
1 105 . 10 1 1 A 21 21 TYR H H 21 9.100 9.015 0.085 1
1 106 . 10 1 1 A 21 21 TYR HA H 21 5.302 4.961 0.341 1
1 112 . 10 1 1 A 22 22 PHE H H 22 9.451 9.385 0.066 1
1 113 . 10 1 1 A 22 22 PHE HA H 22 5.687 5.136 0.551 1
1 117 . 10 1 1 A 23 23 ASN H H 23 8.267 7.549 0.718 1
1 118 . 10 1 1 A 23 23 ASN HA H 23 4.392 4.016 0.376 1
1 123 . 10 1 1 A 24 24 HIS H H 24 8.238 7.228 1.010 1
1 124 . 10 1 1 A 24 24 HIS HA H 24 4.174 4.187 -0.013 1
1 130 . 10 1 1 A 25 25 ILE H H 25 8.415 7.028 1.387 1
1 131 . 10 1 1 A 25 25 ILE HA H 25 3.864 3.654 0.210 1
1 141 . 10 1 1 A 26 26 THR H H 26 7.372 7.580 -0.208 1
1 142 . 10 1 1 A 26 26 THR HA H 26 4.117 4.397 -0.280 1
1 147 . 10 1 1 A 27 27 ASN H H 27 8.111 7.872 0.239 1
1 148 . 10 1 1 A 27 27 ASN HA H 27 4.157 4.222 -0.065 1
1 153 . 10 1 1 A 28 28 ALA H H 28 7.173 6.674 0.499 1
1 154 . 10 1 1 A 28 28 ALA HA H 28 4.460 4.884 -0.424 1
1 158 . 10 1 1 A 29 29 SER H H 29 8.440 8.604 -0.164 1
1 159 . 10 1 1 A 29 29 SER HA H 29 6.071 5.539 0.532 1
1 162 . 10 1 1 A 30 30 GLN H H 30 9.428 8.249 1.179 1
1 163 . 10 1 1 A 30 30 GLN HA H 30 4.865 4.304 0.561 1
1 168 . 10 1 1 A 31 31 TRP H H 31 8.494 8.179 0.315 1
1 169 . 10 1 1 A 31 31 TRP HA H 31 5.002 4.592 0.410 1
1 178 . 10 1 1 A 32 32 GLU H H 32 8.156 7.938 0.218 1
1 179 . 10 1 1 A 32 32 GLU HA H 32 4.422 4.330 0.092 1
1 182 . 10 1 1 A 33 33 ARG H H 33 8.677 8.871 -0.194 1
1 183 . 10 1 1 A 33 33 ARG HA H 33 2.627 5.091 -2.464 1
1 187 . 10 1 1 A 34 34 PRO HA H 34 3.938 4.448 -0.510 1
1 194 . 10 1 1 A 35 35 SER H H 35 8.070 8.961 -0.891 1
1 195 . 10 1 1 A 35 35 SER HA H 35 4.711 4.064 0.647 1
1 1 . 11 1 1 A 4 4 LEU H H 4 8.811 8.965 -0.154 1
1 2 . 11 1 1 A 4 4 LEU HA H 4 4.574 4.717 -0.143 1
1 10 . 11 1 1 A 5 5 PRO HA H 5 4.891 4.749 0.142 1
1 17 . 11 1 1 A 6 6 PRO HA H 6 4.392 4.726 -0.334 1
1 24 . 11 1 1 A 7 7 GLY H H 7 8.900 8.879 0.021 1
1 25 . 11 1 1 A 7 7 GLY HA2 H 7 3.288 3.642 -0.354 1
1 26 . 11 1 1 A 7 7 GLY HA3 H 7 4.070 3.866 0.204 1
1 27 . 11 1 1 A 8 8 TRP H H 8 7.411 8.206 -0.795 1
1 28 . 11 1 1 A 8 8 TRP HA H 8 5.274 5.012 0.262 1
1 37 . 11 1 1 A 9 9 GLU H H 9 9.849 9.285 0.564 1
1 38 . 11 1 1 A 9 9 GLU HA H 9 4.875 5.248 -0.373 1
1 41 . 11 1 1 A 10 10 LYS H H 10 9.066 8.642 0.424 1
1 42 . 11 1 1 A 10 10 LYS HA H 10 4.413 4.402 0.011 1
1 43 . 11 1 1 A 11 11 ARG H H 11 8.953 9.035 -0.082 1
1 44 . 11 1 1 A 11 11 ARG HA H 11 4.464 5.065 -0.601 1
1 56 . 11 1 1 A 12 12 MET H H 12 8.342 8.865 -0.523 1
1 57 . 11 1 1 A 12 12 MET HA H 12 4.993 5.548 -0.555 1
1 60 . 11 1 1 A 13 13 SER H H 13 9.131 9.000 0.131 1
1 61 . 11 1 1 A 13 13 SER HA H 13 4.887 4.132 0.755 1
1 64 . 11 1 1 A 14 14 ARG H H 14 10.000 8.739 1.261 1
1 65 . 11 1 1 A 14 14 ARG HA H 14 4.162 3.984 0.178 1
1 67 . 11 1 1 A 15 15 SER H H 15 8.784 8.426 0.358 1
1 68 . 11 1 1 A 15 15 SER HA H 15 4.374 4.319 0.055 1
1 70 . 11 1 1 A 16 16 SER H H 16 8.333 8.339 -0.006 1
1 71 . 11 1 1 A 16 16 SER HA H 16 4.312 4.757 -0.445 1
1 74 . 11 1 1 A 17 17 GLY H H 17 8.146 8.551 -0.405 1
1 75 . 11 1 1 A 17 17 GLY HA2 H 17 4.152 4.022 0.130 1
1 76 . 11 1 1 A 17 17 GLY HA3 H 17 3.978 4.033 -0.055 1
1 77 . 11 1 1 A 18 18 ARG H H 18 7.743 7.764 -0.021 1
1 78 . 11 1 1 A 18 18 ARG HA H 18 4.486 4.921 -0.435 1
1 88 . 11 1 1 A 19 19 VAL H H 19 8.681 8.841 -0.160 1
1 89 . 11 1 1 A 19 19 VAL HA H 19 4.708 4.726 -0.018 1
1 97 . 11 1 1 A 20 20 TYR H H 20 8.761 8.598 0.163 1
1 98 . 11 1 1 A 20 20 TYR HA H 20 4.936 4.229 0.707 1
1 105 . 11 1 1 A 21 21 TYR H H 21 9.100 8.366 0.734 1
1 106 . 11 1 1 A 21 21 TYR HA H 21 5.302 4.327 0.975 1
1 112 . 11 1 1 A 22 22 PHE H H 22 9.451 9.026 0.425 1
1 113 . 11 1 1 A 22 22 PHE HA H 22 5.687 4.949 0.738 1
1 117 . 11 1 1 A 23 23 ASN H H 23 8.267 8.312 -0.045 1
1 118 . 11 1 1 A 23 23 ASN HA H 23 4.392 3.937 0.455 1
1 123 . 11 1 1 A 24 24 HIS H H 24 8.238 7.977 0.261 1
1 124 . 11 1 1 A 24 24 HIS HA H 24 4.174 4.347 -0.173 1
1 130 . 11 1 1 A 25 25 ILE H H 25 8.415 7.470 0.945 1
1 131 . 11 1 1 A 25 25 ILE HA H 25 3.864 3.857 0.007 1
1 141 . 11 1 1 A 26 26 THR H H 26 7.372 7.848 -0.476 1
1 142 . 11 1 1 A 26 26 THR HA H 26 4.117 4.207 -0.090 1
1 147 . 11 1 1 A 27 27 ASN H H 27 8.111 7.687 0.424 1
1 148 . 11 1 1 A 27 27 ASN HA H 27 4.157 3.972 0.185 1
1 153 . 11 1 1 A 28 28 ALA H H 28 7.173 6.991 0.182 1
1 154 . 11 1 1 A 28 28 ALA HA H 28 4.460 4.958 -0.498 1
1 158 . 11 1 1 A 29 29 SER H H 29 8.440 8.683 -0.243 1
1 159 . 11 1 1 A 29 29 SER HA H 29 6.071 5.369 0.702 1
1 162 . 11 1 1 A 30 30 GLN H H 30 9.428 8.653 0.775 1
1 163 . 11 1 1 A 30 30 GLN HA H 30 4.865 3.905 0.960 1
1 168 . 11 1 1 A 31 31 TRP H H 31 8.494 8.019 0.475 1
1 169 . 11 1 1 A 31 31 TRP HA H 31 5.002 4.547 0.455 1
1 178 . 11 1 1 A 32 32 GLU H H 32 8.156 7.457 0.699 1
1 179 . 11 1 1 A 32 32 GLU HA H 32 4.422 4.449 -0.027 1
1 182 . 11 1 1 A 33 33 ARG H H 33 8.677 8.433 0.244 1
1 183 . 11 1 1 A 33 33 ARG HA H 33 2.627 4.939 -2.312 1
1 187 . 11 1 1 A 34 34 PRO HA H 34 3.938 4.286 -0.348 1
1 194 . 11 1 1 A 35 35 SER H H 35 8.070 8.655 -0.585 1
1 195 . 11 1 1 A 35 35 SER HA H 35 4.711 4.315 0.396 1
1 1 . 12 1 1 A 4 4 LEU H H 4 8.811 7.165 1.646 1
1 2 . 12 1 1 A 4 4 LEU HA H 4 4.574 4.123 0.451 1
1 10 . 12 1 1 A 5 5 PRO HA H 5 4.891 4.713 0.178 1
1 17 . 12 1 1 A 6 6 PRO HA H 6 4.392 4.296 0.096 1
1 24 . 12 1 1 A 7 7 GLY H H 7 8.900 8.997 -0.097 1
1 25 . 12 1 1 A 7 7 GLY HA2 H 7 3.288 3.524 -0.236 1
1 26 . 12 1 1 A 7 7 GLY HA3 H 7 4.070 4.001 0.069 1
1 27 . 12 1 1 A 8 8 TRP H H 8 7.411 8.098 -0.687 1
1 28 . 12 1 1 A 8 8 TRP HA H 8 5.274 5.291 -0.017 1
1 37 . 12 1 1 A 9 9 GLU H H 9 9.849 9.191 0.658 1
1 38 . 12 1 1 A 9 9 GLU HA H 9 4.875 4.540 0.335 1
1 41 . 12 1 1 A 10 10 LYS H H 10 9.066 7.858 1.208 1
1 42 . 12 1 1 A 10 10 LYS HA H 10 4.413 3.537 0.876 1
1 43 . 12 1 1 A 11 11 ARG H H 11 8.953 8.169 0.784 1
1 44 . 12 1 1 A 11 11 ARG HA H 11 4.464 4.183 0.281 1
1 56 . 12 1 1 A 12 12 MET H H 12 8.342 8.538 -0.196 1
1 57 . 12 1 1 A 12 12 MET HA H 12 4.993 5.443 -0.450 1
1 60 . 12 1 1 A 13 13 SER H H 13 9.131 9.409 -0.278 1
1 61 . 12 1 1 A 13 13 SER HA H 13 4.887 4.636 0.251 1
1 64 . 12 1 1 A 14 14 ARG H H 14 10.000 8.000 2.000 1
1 65 . 12 1 1 A 14 14 ARG HA H 14 4.162 3.964 0.198 1
1 67 . 12 1 1 A 15 15 SER H H 15 8.784 8.202 0.582 1
1 68 . 12 1 1 A 15 15 SER HA H 15 4.374 4.152 0.222 1
1 70 . 12 1 1 A 16 16 SER H H 16 8.333 7.719 0.614 1
1 71 . 12 1 1 A 16 16 SER HA H 16 4.312 4.682 -0.370 1
1 74 . 12 1 1 A 17 17 GLY H H 17 8.146 8.697 -0.551 1
1 75 . 12 1 1 A 17 17 GLY HA2 H 17 4.152 3.973 0.179 1
1 76 . 12 1 1 A 17 17 GLY HA3 H 17 3.978 3.996 -0.018 1
1 77 . 12 1 1 A 18 18 ARG H H 18 7.743 7.801 -0.058 1
1 78 . 12 1 1 A 18 18 ARG HA H 18 4.486 5.007 -0.521 1
1 88 . 12 1 1 A 19 19 VAL H H 19 8.681 9.048 -0.367 1
1 89 . 12 1 1 A 19 19 VAL HA H 19 4.708 5.167 -0.459 1
1 97 . 12 1 1 A 20 20 TYR H H 20 8.761 8.972 -0.211 1
1 98 . 12 1 1 A 20 20 TYR HA H 20 4.936 5.094 -0.158 1
1 105 . 12 1 1 A 21 21 TYR H H 21 9.100 9.228 -0.128 1
1 106 . 12 1 1 A 21 21 TYR HA H 21 5.302 5.152 0.150 1
1 112 . 12 1 1 A 22 22 PHE H H 22 9.451 8.956 0.495 1
1 113 . 12 1 1 A 22 22 PHE HA H 22 5.687 5.582 0.105 1
1 117 . 12 1 1 A 23 23 ASN H H 23 8.267 7.881 0.386 1
1 118 . 12 1 1 A 23 23 ASN HA H 23 4.392 3.682 0.710 1
1 123 . 12 1 1 A 24 24 HIS H H 24 8.238 7.803 0.435 1
1 124 . 12 1 1 A 24 24 HIS HA H 24 4.174 4.123 0.051 1
1 130 . 12 1 1 A 25 25 ILE H H 25 8.415 7.703 0.712 1
1 131 . 12 1 1 A 25 25 ILE HA H 25 3.864 3.523 0.341 1
1 141 . 12 1 1 A 26 26 THR H H 26 7.372 7.390 -0.018 1
1 142 . 12 1 1 A 26 26 THR HA H 26 4.117 4.429 -0.312 1
1 147 . 12 1 1 A 27 27 ASN H H 27 8.111 7.845 0.266 1
1 148 . 12 1 1 A 27 27 ASN HA H 27 4.157 4.392 -0.235 1
1 153 . 12 1 1 A 28 28 ALA H H 28 7.173 7.164 0.009 1
1 154 . 12 1 1 A 28 28 ALA HA H 28 4.460 4.955 -0.495 1
1 158 . 12 1 1 A 29 29 SER H H 29 8.440 8.922 -0.482 1
1 159 . 12 1 1 A 29 29 SER HA H 29 6.071 5.976 0.095 1
1 162 . 12 1 1 A 30 30 GLN H H 30 9.428 8.522 0.906 1
1 163 . 12 1 1 A 30 30 GLN HA H 30 4.865 4.354 0.511 1
1 168 . 12 1 1 A 31 31 TRP H H 31 8.494 8.146 0.348 1
1 169 . 12 1 1 A 31 31 TRP HA H 31 5.002 4.914 0.088 1
1 178 . 12 1 1 A 32 32 GLU H H 32 8.156 7.973 0.183 1
1 179 . 12 1 1 A 32 32 GLU HA H 32 4.422 4.359 0.063 1
1 182 . 12 1 1 A 33 33 ARG H H 33 8.677 8.420 0.257 1
1 183 . 12 1 1 A 33 33 ARG HA H 33 2.627 4.653 -2.026 1
1 187 . 12 1 1 A 34 34 PRO HA H 34 3.938 4.730 -0.792 1
1 194 . 12 1 1 A 35 35 SER H H 35 8.070 8.707 -0.637 1
1 195 . 12 1 1 A 35 35 SER HA H 35 4.711 4.657 0.054 1
1 1 . 13 1 1 A 4 4 LEU H H 4 8.811 7.400 1.411 1
1 2 . 13 1 1 A 4 4 LEU HA H 4 4.574 4.255 0.319 1
1 10 . 13 1 1 A 5 5 PRO HA H 5 4.891 4.718 0.173 1
1 17 . 13 1 1 A 6 6 PRO HA H 6 4.392 4.641 -0.249 1
1 24 . 13 1 1 A 7 7 GLY H H 7 8.900 8.910 -0.010 1
1 25 . 13 1 1 A 7 7 GLY HA2 H 7 3.288 3.420 -0.132 1
1 26 . 13 1 1 A 7 7 GLY HA3 H 7 4.070 3.941 0.129 1
1 27 . 13 1 1 A 8 8 TRP H H 8 7.411 7.912 -0.501 1
1 28 . 13 1 1 A 8 8 TRP HA H 8 5.274 5.106 0.168 1
1 37 . 13 1 1 A 9 9 GLU H H 9 9.849 8.867 0.982 1
1 38 . 13 1 1 A 9 9 GLU HA H 9 4.875 4.613 0.262 1
1 41 . 13 1 1 A 10 10 LYS H H 10 9.066 8.083 0.983 1
1 42 . 13 1 1 A 10 10 LYS HA H 10 4.413 4.244 0.169 1
1 43 . 13 1 1 A 11 11 ARG H H 11 8.953 8.245 0.708 1
1 44 . 13 1 1 A 11 11 ARG HA H 11 4.464 5.032 -0.568 1
1 56 . 13 1 1 A 12 12 MET H H 12 8.342 8.864 -0.522 1
1 57 . 13 1 1 A 12 12 MET HA H 12 4.993 5.747 -0.754 1
1 60 . 13 1 1 A 13 13 SER H H 13 9.131 8.804 0.327 1
1 61 . 13 1 1 A 13 13 SER HA H 13 4.887 4.580 0.307 1
1 64 . 13 1 1 A 14 14 ARG H H 14 10.000 8.580 1.420 1
1 65 . 13 1 1 A 14 14 ARG HA H 14 4.162 4.022 0.140 1
1 67 . 13 1 1 A 15 15 SER H H 15 8.784 7.434 1.350 1
1 68 . 13 1 1 A 15 15 SER HA H 15 4.374 4.368 0.006 1
1 70 . 13 1 1 A 16 16 SER H H 16 8.333 9.096 -0.763 1
1 71 . 13 1 1 A 16 16 SER HA H 16 4.312 4.039 0.273 1
1 74 . 13 1 1 A 17 17 GLY H H 17 8.146 8.684 -0.538 1
1 75 . 13 1 1 A 17 17 GLY HA2 H 17 4.152 3.858 0.294 1
1 76 . 13 1 1 A 17 17 GLY HA3 H 17 3.978 3.870 0.108 1
1 77 . 13 1 1 A 18 18 ARG H H 18 7.743 7.853 -0.110 1
1 78 . 13 1 1 A 18 18 ARG HA H 18 4.486 4.308 0.178 1
1 88 . 13 1 1 A 19 19 VAL H H 19 8.681 8.525 0.156 1
1 89 . 13 1 1 A 19 19 VAL HA H 19 4.708 4.710 -0.002 1
1 97 . 13 1 1 A 20 20 TYR H H 20 8.761 7.925 0.836 1
1 98 . 13 1 1 A 20 20 TYR HA H 20 4.936 4.260 0.676 1
1 105 . 13 1 1 A 21 21 TYR H H 21 9.100 7.650 1.450 1
1 106 . 13 1 1 A 21 21 TYR HA H 21 5.302 4.824 0.478 1
1 112 . 13 1 1 A 22 22 PHE H H 22 9.451 9.127 0.324 1
1 113 . 13 1 1 A 22 22 PHE HA H 22 5.687 5.109 0.578 1
1 117 . 13 1 1 A 23 23 ASN H H 23 8.267 7.598 0.669 1
1 118 . 13 1 1 A 23 23 ASN HA H 23 4.392 3.947 0.445 1
1 123 . 13 1 1 A 24 24 HIS H H 24 8.238 8.738 -0.500 1
1 124 . 13 1 1 A 24 24 HIS HA H 24 4.174 3.912 0.262 1
1 130 . 13 1 1 A 25 25 ILE H H 25 8.415 7.640 0.775 1
1 131 . 13 1 1 A 25 25 ILE HA H 25 3.864 3.553 0.311 1
1 141 . 13 1 1 A 26 26 THR H H 26 7.372 7.341 0.031 1
1 142 . 13 1 1 A 26 26 THR HA H 26 4.117 4.442 -0.325 1
1 147 . 13 1 1 A 27 27 ASN H H 27 8.111 7.716 0.395 1
1 148 . 13 1 1 A 27 27 ASN HA H 27 4.157 4.178 -0.021 1
1 153 . 13 1 1 A 28 28 ALA H H 28 7.173 7.407 -0.234 1
1 154 . 13 1 1 A 28 28 ALA HA H 28 4.460 4.339 0.121 1
1 158 . 13 1 1 A 29 29 SER H H 29 8.440 8.599 -0.159 1
1 159 . 13 1 1 A 29 29 SER HA H 29 6.071 5.650 0.421 1
1 162 . 13 1 1 A 30 30 GLN H H 30 9.428 8.118 1.310 1
1 163 . 13 1 1 A 30 30 GLN HA H 30 4.865 4.302 0.563 1
1 168 . 13 1 1 A 31 31 TRP H H 31 8.494 8.298 0.196 1
1 169 . 13 1 1 A 31 31 TRP HA H 31 5.002 5.007 -0.005 1
1 178 . 13 1 1 A 32 32 GLU H H 32 8.156 7.850 0.306 1
1 179 . 13 1 1 A 32 32 GLU HA H 32 4.422 4.306 0.116 1
1 182 . 13 1 1 A 33 33 ARG H H 33 8.677 8.904 -0.227 1
1 183 . 13 1 1 A 33 33 ARG HA H 33 2.627 4.346 -1.719 1
1 187 . 13 1 1 A 34 34 PRO HA H 34 3.938 4.674 -0.736 1
1 194 . 13 1 1 A 35 35 SER H H 35 8.070 8.465 -0.395 1
1 195 . 13 1 1 A 35 35 SER HA H 35 4.711 4.139 0.572 1
1 1 . 14 1 1 A 4 4 LEU H H 4 8.811 8.316 0.495 1
1 2 . 14 1 1 A 4 4 LEU HA H 4 4.574 4.101 0.473 1
1 10 . 14 1 1 A 5 5 PRO HA H 5 4.891 4.602 0.289 1
1 17 . 14 1 1 A 6 6 PRO HA H 6 4.392 4.257 0.135 1
1 24 . 14 1 1 A 7 7 GLY H H 7 8.900 8.906 -0.006 1
1 25 . 14 1 1 A 7 7 GLY HA2 H 7 3.288 3.742 -0.454 1
1 26 . 14 1 1 A 7 7 GLY HA3 H 7 4.070 3.883 0.187 1
1 27 . 14 1 1 A 8 8 TRP H H 8 7.411 7.749 -0.338 1
1 28 . 14 1 1 A 8 8 TRP HA H 8 5.274 4.892 0.382 1
1 37 . 14 1 1 A 9 9 GLU H H 9 9.849 8.624 1.225 1
1 38 . 14 1 1 A 9 9 GLU HA H 9 4.875 4.626 0.249 1
1 41 . 14 1 1 A 10 10 LYS H H 10 9.066 8.720 0.346 1
1 42 . 14 1 1 A 10 10 LYS HA H 10 4.413 4.845 -0.432 1
1 43 . 14 1 1 A 11 11 ARG H H 11 8.953 8.757 0.196 1
1 44 . 14 1 1 A 11 11 ARG HA H 11 4.464 4.789 -0.325 1
1 56 . 14 1 1 A 12 12 MET H H 12 8.342 8.971 -0.629 1
1 57 . 14 1 1 A 12 12 MET HA H 12 4.993 5.142 -0.149 1
1 60 . 14 1 1 A 13 13 SER H H 13 9.131 9.020 0.111 1
1 61 . 14 1 1 A 13 13 SER HA H 13 4.887 3.661 1.226 1
1 64 . 14 1 1 A 14 14 ARG H H 14 10.000 7.864 2.136 1
1 65 . 14 1 1 A 14 14 ARG HA H 14 4.162 3.907 0.255 1
1 67 . 14 1 1 A 15 15 SER H H 15 8.784 7.448 1.336 1
1 68 . 14 1 1 A 15 15 SER HA H 15 4.374 4.722 -0.348 1
1 70 . 14 1 1 A 16 16 SER H H 16 8.333 9.127 -0.794 1
1 71 . 14 1 1 A 16 16 SER HA H 16 4.312 4.299 0.013 1
1 74 . 14 1 1 A 17 17 GLY H H 17 8.146 8.880 -0.734 1
1 75 . 14 1 1 A 17 17 GLY HA2 H 17 4.152 4.046 0.106 1
1 76 . 14 1 1 A 17 17 GLY HA3 H 17 3.978 4.054 -0.076 1
1 77 . 14 1 1 A 18 18 ARG H H 18 7.743 7.814 -0.071 1
1 78 . 14 1 1 A 18 18 ARG HA H 18 4.486 4.329 0.157 1
1 88 . 14 1 1 A 19 19 VAL H H 19 8.681 8.577 0.104 1
1 89 . 14 1 1 A 19 19 VAL HA H 19 4.708 4.844 -0.136 1
1 97 . 14 1 1 A 20 20 TYR H H 20 8.761 8.192 0.569 1
1 98 . 14 1 1 A 20 20 TYR HA H 20 4.936 4.022 0.914 1
1 105 . 14 1 1 A 21 21 TYR H H 21 9.100 8.199 0.901 1
1 106 . 14 1 1 A 21 21 TYR HA H 21 5.302 4.669 0.633 1
1 112 . 14 1 1 A 22 22 PHE H H 22 9.451 9.073 0.378 1
1 113 . 14 1 1 A 22 22 PHE HA H 22 5.687 4.474 1.213 1
1 117 . 14 1 1 A 23 23 ASN H H 23 8.267 7.808 0.459 1
1 118 . 14 1 1 A 23 23 ASN HA H 23 4.392 3.027 1.365 1
1 123 . 14 1 1 A 24 24 HIS H H 24 8.238 7.359 0.879 1
1 124 . 14 1 1 A 24 24 HIS HA H 24 4.174 4.360 -0.186 1
1 130 . 14 1 1 A 25 25 ILE H H 25 8.415 6.820 1.595 1
1 131 . 14 1 1 A 25 25 ILE HA H 25 3.864 3.466 0.398 1
1 141 . 14 1 1 A 26 26 THR H H 26 7.372 7.535 -0.163 1
1 142 . 14 1 1 A 26 26 THR HA H 26 4.117 4.337 -0.220 1
1 147 . 14 1 1 A 27 27 ASN H H 27 8.111 7.551 0.560 1
1 148 . 14 1 1 A 27 27 ASN HA H 27 4.157 3.636 0.521 1
1 153 . 14 1 1 A 28 28 ALA H H 28 7.173 7.005 0.168 1
1 154 . 14 1 1 A 28 28 ALA HA H 28 4.460 4.868 -0.408 1
1 158 . 14 1 1 A 29 29 SER H H 29 8.440 8.715 -0.275 1
1 159 . 14 1 1 A 29 29 SER HA H 29 6.071 5.468 0.603 1
1 162 . 14 1 1 A 30 30 GLN H H 30 9.428 8.196 1.232 1
1 163 . 14 1 1 A 30 30 GLN HA H 30 4.865 4.044 0.821 1
1 168 . 14 1 1 A 31 31 TRP H H 31 8.494 8.458 0.036 1
1 169 . 14 1 1 A 31 31 TRP HA H 31 5.002 4.870 0.132 1
1 178 . 14 1 1 A 32 32 GLU H H 32 8.156 7.971 0.185 1
1 179 . 14 1 1 A 32 32 GLU HA H 32 4.422 4.550 -0.128 1
1 182 . 14 1 1 A 33 33 ARG H H 33 8.677 8.408 0.269 1
1 183 . 14 1 1 A 33 33 ARG HA H 33 2.627 4.225 -1.598 1
1 187 . 14 1 1 A 34 34 PRO HA H 34 3.938 4.463 -0.525 1
1 194 . 14 1 1 A 35 35 SER H H 35 8.070 7.892 0.178 1
1 195 . 14 1 1 A 35 35 SER HA H 35 4.711 4.094 0.617 1
1 1 . 15 1 1 A 4 4 LEU H H 4 8.811 8.553 0.258 1
1 2 . 15 1 1 A 4 4 LEU HA H 4 4.574 4.229 0.345 1
1 10 . 15 1 1 A 5 5 PRO HA H 5 4.891 4.689 0.202 1
1 17 . 15 1 1 A 6 6 PRO HA H 6 4.392 4.717 -0.325 1
1 24 . 15 1 1 A 7 7 GLY H H 7 8.900 8.940 -0.040 1
1 25 . 15 1 1 A 7 7 GLY HA2 H 7 3.288 3.768 -0.480 1
1 26 . 15 1 1 A 7 7 GLY HA3 H 7 4.070 3.863 0.207 1
1 27 . 15 1 1 A 8 8 TRP H H 8 7.411 7.938 -0.527 1
1 28 . 15 1 1 A 8 8 TRP HA H 8 5.274 4.418 0.856 1
1 37 . 15 1 1 A 9 9 GLU H H 9 9.849 8.582 1.267 1
1 38 . 15 1 1 A 9 9 GLU HA H 9 4.875 4.638 0.237 1
1 41 . 15 1 1 A 10 10 LYS H H 10 9.066 8.428 0.638 1
1 42 . 15 1 1 A 10 10 LYS HA H 10 4.413 4.616 -0.203 1
1 43 . 15 1 1 A 11 11 ARG H H 11 8.953 9.093 -0.140 1
1 44 . 15 1 1 A 11 11 ARG HA H 11 4.464 5.046 -0.582 1
1 56 . 15 1 1 A 12 12 MET H H 12 8.342 8.687 -0.345 1
1 57 . 15 1 1 A 12 12 MET HA H 12 4.993 5.086 -0.093 1
1 60 . 15 1 1 A 13 13 SER H H 13 9.131 8.879 0.252 1
1 61 . 15 1 1 A 13 13 SER HA H 13 4.887 3.925 0.962 1
1 64 . 15 1 1 A 14 14 ARG H H 14 10.000 8.311 1.689 1
1 65 . 15 1 1 A 14 14 ARG HA H 14 4.162 4.087 0.075 1
1 67 . 15 1 1 A 15 15 SER H H 15 8.784 8.523 0.261 1
1 68 . 15 1 1 A 15 15 SER HA H 15 4.374 4.453 -0.079 1
1 70 . 15 1 1 A 16 16 SER H H 16 8.333 8.660 -0.327 1
1 71 . 15 1 1 A 16 16 SER HA H 16 4.312 4.386 -0.074 1
1 74 . 15 1 1 A 17 17 GLY H H 17 8.146 8.753 -0.607 1
1 75 . 15 1 1 A 17 17 GLY HA2 H 17 4.152 3.937 0.215 1
1 76 . 15 1 1 A 17 17 GLY HA3 H 17 3.978 3.939 0.039 1
1 77 . 15 1 1 A 18 18 ARG H H 18 7.743 7.424 0.319 1
1 78 . 15 1 1 A 18 18 ARG HA H 18 4.486 4.413 0.073 1
1 88 . 15 1 1 A 19 19 VAL H H 19 8.681 8.695 -0.014 1
1 89 . 15 1 1 A 19 19 VAL HA H 19 4.708 4.977 -0.269 1
1 97 . 15 1 1 A 20 20 TYR H H 20 8.761 8.777 -0.016 1
1 98 . 15 1 1 A 20 20 TYR HA H 20 4.936 4.445 0.491 1
1 105 . 15 1 1 A 21 21 TYR H H 21 9.100 7.577 1.523 1
1 106 . 15 1 1 A 21 21 TYR HA H 21 5.302 4.239 1.063 1
1 112 . 15 1 1 A 22 22 PHE H H 22 9.451 8.684 0.767 1
1 113 . 15 1 1 A 22 22 PHE HA H 22 5.687 4.480 1.207 1
1 117 . 15 1 1 A 23 23 ASN H H 23 8.267 7.631 0.636 1
1 118 . 15 1 1 A 23 23 ASN HA H 23 4.392 3.454 0.938 1
1 123 . 15 1 1 A 24 24 HIS H H 24 8.238 8.284 -0.046 1
1 124 . 15 1 1 A 24 24 HIS HA H 24 4.174 4.382 -0.208 1
1 130 . 15 1 1 A 25 25 ILE H H 25 8.415 7.746 0.669 1
1 131 . 15 1 1 A 25 25 ILE HA H 25 3.864 3.409 0.455 1
1 141 . 15 1 1 A 26 26 THR H H 26 7.372 7.659 -0.287 1
1 142 . 15 1 1 A 26 26 THR HA H 26 4.117 4.283 -0.166 1
1 147 . 15 1 1 A 27 27 ASN H H 27 8.111 7.618 0.493 1
1 148 . 15 1 1 A 27 27 ASN HA H 27 4.157 3.499 0.658 1
1 153 . 15 1 1 A 28 28 ALA H H 28 7.173 7.338 -0.165 1
1 154 . 15 1 1 A 28 28 ALA HA H 28 4.460 4.474 -0.014 1
1 158 . 15 1 1 A 29 29 SER H H 29 8.440 8.505 -0.065 1
1 159 . 15 1 1 A 29 29 SER HA H 29 6.071 4.381 1.690 1
1 162 . 15 1 1 A 30 30 GLN H H 30 9.428 8.477 0.951 1
1 163 . 15 1 1 A 30 30 GLN HA H 30 4.865 4.074 0.791 1
1 168 . 15 1 1 A 31 31 TRP H H 31 8.494 8.325 0.169 1
1 169 . 15 1 1 A 31 31 TRP HA H 31 5.002 4.642 0.360 1
1 178 . 15 1 1 A 32 32 GLU H H 32 8.156 8.075 0.081 1
1 179 . 15 1 1 A 32 32 GLU HA H 32 4.422 4.576 -0.154 1
1 182 . 15 1 1 A 33 33 ARG H H 33 8.677 8.308 0.369 1
1 183 . 15 1 1 A 33 33 ARG HA H 33 2.627 4.626 -1.999 1
1 187 . 15 1 1 A 34 34 PRO HA H 34 3.938 4.515 -0.577 1
1 194 . 15 1 1 A 35 35 SER H H 35 8.070 8.756 -0.686 1
1 195 . 15 1 1 A 35 35 SER HA H 35 4.711 4.299 0.412 1
1 1 . 16 1 1 A 4 4 LEU H H 4 8.811 7.075 1.736 1
1 2 . 16 1 1 A 4 4 LEU HA H 4 4.574 4.093 0.481 1
1 10 . 16 1 1 A 5 5 PRO HA H 5 4.891 4.645 0.246 1
1 17 . 16 1 1 A 6 6 PRO HA H 6 4.392 4.603 -0.211 1
1 24 . 16 1 1 A 7 7 GLY H H 7 8.900 8.916 -0.016 1
1 25 . 16 1 1 A 7 7 GLY HA2 H 7 3.288 3.862 -0.574 1
1 26 . 16 1 1 A 7 7 GLY HA3 H 7 4.070 4.004 0.066 1
1 27 . 16 1 1 A 8 8 TRP H H 8 7.411 7.655 -0.244 1
1 28 . 16 1 1 A 8 8 TRP HA H 8 5.274 4.802 0.472 1
1 37 . 16 1 1 A 9 9 GLU H H 9 9.849 8.436 1.413 1
1 38 . 16 1 1 A 9 9 GLU HA H 9 4.875 4.558 0.317 1
1 41 . 16 1 1 A 10 10 LYS H H 10 9.066 8.863 0.203 1
1 42 . 16 1 1 A 10 10 LYS HA H 10 4.413 4.585 -0.172 1
1 43 . 16 1 1 A 11 11 ARG H H 11 8.953 8.928 0.025 1
1 44 . 16 1 1 A 11 11 ARG HA H 11 4.464 4.961 -0.497 1
1 56 . 16 1 1 A 12 12 MET H H 12 8.342 8.944 -0.602 1
1 57 . 16 1 1 A 12 12 MET HA H 12 4.993 5.441 -0.448 1
1 60 . 16 1 1 A 13 13 SER H H 13 9.131 8.902 0.229 1
1 61 . 16 1 1 A 13 13 SER HA H 13 4.887 4.697 0.190 1
1 64 . 16 1 1 A 14 14 ARG H H 14 10.000 7.793 2.207 1
1 65 . 16 1 1 A 14 14 ARG HA H 14 4.162 4.569 -0.407 1
1 67 . 16 1 1 A 15 15 SER H H 15 8.784 8.256 0.528 1
1 68 . 16 1 1 A 15 15 SER HA H 15 4.374 4.211 0.163 1
1 70 . 16 1 1 A 16 16 SER H H 16 8.333 8.382 -0.049 1
1 71 . 16 1 1 A 16 16 SER HA H 16 4.312 4.311 0.001 1
1 74 . 16 1 1 A 17 17 GLY H H 17 8.146 8.168 -0.022 1
1 75 . 16 1 1 A 17 17 GLY HA2 H 17 4.152 3.969 0.183 1
1 76 . 16 1 1 A 17 17 GLY HA3 H 17 3.978 3.972 0.006 1
1 77 . 16 1 1 A 18 18 ARG H H 18 7.743 7.764 -0.021 1
1 78 . 16 1 1 A 18 18 ARG HA H 18 4.486 5.018 -0.532 1
1 88 . 16 1 1 A 19 19 VAL H H 19 8.681 9.056 -0.375 1
1 89 . 16 1 1 A 19 19 VAL HA H 19 4.708 4.924 -0.216 1
1 97 . 16 1 1 A 20 20 TYR H H 20 8.761 8.496 0.265 1
1 98 . 16 1 1 A 20 20 TYR HA H 20 4.936 4.936 0.000 1
1 105 . 16 1 1 A 21 21 TYR H H 21 9.100 8.248 0.852 1
1 106 . 16 1 1 A 21 21 TYR HA H 21 5.302 4.558 0.744 1
1 112 . 16 1 1 A 22 22 PHE H H 22 9.451 8.637 0.814 1
1 113 . 16 1 1 A 22 22 PHE HA H 22 5.687 4.671 1.016 1
1 117 . 16 1 1 A 23 23 ASN H H 23 8.267 7.828 0.439 1
1 118 . 16 1 1 A 23 23 ASN HA H 23 4.392 3.144 1.248 1
1 123 . 16 1 1 A 24 24 HIS H H 24 8.238 7.391 0.847 1
1 124 . 16 1 1 A 24 24 HIS HA H 24 4.174 4.450 -0.276 1
1 130 . 16 1 1 A 25 25 ILE H H 25 8.415 7.319 1.096 1
1 131 . 16 1 1 A 25 25 ILE HA H 25 3.864 4.061 -0.197 1
1 141 . 16 1 1 A 26 26 THR H H 26 7.372 7.701 -0.329 1
1 142 . 16 1 1 A 26 26 THR HA H 26 4.117 4.252 -0.135 1
1 147 . 16 1 1 A 27 27 ASN H H 27 8.111 7.726 0.385 1
1 148 . 16 1 1 A 27 27 ASN HA H 27 4.157 4.113 0.044 1
1 153 . 16 1 1 A 28 28 ALA H H 28 7.173 7.350 -0.177 1
1 154 . 16 1 1 A 28 28 ALA HA H 28 4.460 4.928 -0.468 1
1 158 . 16 1 1 A 29 29 SER H H 29 8.440 8.859 -0.419 1
1 159 . 16 1 1 A 29 29 SER HA H 29 6.071 5.160 0.911 1
1 162 . 16 1 1 A 30 30 GLN H H 30 9.428 8.291 1.137 1
1 163 . 16 1 1 A 30 30 GLN HA H 30 4.865 4.695 0.170 1
1 168 . 16 1 1 A 31 31 TRP H H 31 8.494 8.389 0.105 1
1 169 . 16 1 1 A 31 31 TRP HA H 31 5.002 4.784 0.218 1
1 178 . 16 1 1 A 32 32 GLU H H 32 8.156 7.920 0.236 1
1 179 . 16 1 1 A 32 32 GLU HA H 32 4.422 4.403 0.019 1
1 182 . 16 1 1 A 33 33 ARG H H 33 8.677 8.869 -0.192 1
1 183 . 16 1 1 A 33 33 ARG HA H 33 2.627 5.104 -2.477 1
1 187 . 16 1 1 A 34 34 PRO HA H 34 3.938 4.958 -1.020 1
1 194 . 16 1 1 A 35 35 SER H H 35 8.070 8.650 -0.580 1
1 195 . 16 1 1 A 35 35 SER HA H 35 4.711 4.715 -0.004 1
1 1 . 17 1 1 A 4 4 LEU H H 4 8.811 8.057 0.754 1
1 2 . 17 1 1 A 4 4 LEU HA H 4 4.574 4.207 0.367 1
1 10 . 17 1 1 A 5 5 PRO HA H 5 4.891 4.690 0.201 1
1 17 . 17 1 1 A 6 6 PRO HA H 6 4.392 4.299 0.093 1
1 24 . 17 1 1 A 7 7 GLY H H 7 8.900 8.921 -0.021 1
1 25 . 17 1 1 A 7 7 GLY HA2 H 7 3.288 3.823 -0.535 1
1 26 . 17 1 1 A 7 7 GLY HA3 H 7 4.070 3.963 0.107 1
1 27 . 17 1 1 A 8 8 TRP H H 8 7.411 7.764 -0.353 1
1 28 . 17 1 1 A 8 8 TRP HA H 8 5.274 4.854 0.420 1
1 37 . 17 1 1 A 9 9 GLU H H 9 9.849 8.876 0.973 1
1 38 . 17 1 1 A 9 9 GLU HA H 9 4.875 4.844 0.031 1
1 41 . 17 1 1 A 10 10 LYS H H 10 9.066 8.716 0.350 1
1 42 . 17 1 1 A 10 10 LYS HA H 10 4.413 4.515 -0.102 1
1 43 . 17 1 1 A 11 11 ARG H H 11 8.953 9.002 -0.049 1
1 44 . 17 1 1 A 11 11 ARG HA H 11 4.464 4.830 -0.366 1
1 56 . 17 1 1 A 12 12 MET H H 12 8.342 8.963 -0.621 1
1 57 . 17 1 1 A 12 12 MET HA H 12 4.993 5.748 -0.755 1
1 60 . 17 1 1 A 13 13 SER H H 13 9.131 8.754 0.377 1
1 61 . 17 1 1 A 13 13 SER HA H 13 4.887 4.410 0.477 1
1 64 . 17 1 1 A 14 14 ARG H H 14 10.000 8.864 1.136 1
1 65 . 17 1 1 A 14 14 ARG HA H 14 4.162 4.157 0.005 1
1 67 . 17 1 1 A 15 15 SER H H 15 8.784 7.964 0.820 1
1 68 . 17 1 1 A 15 15 SER HA H 15 4.374 4.117 0.257 1
1 70 . 17 1 1 A 16 16 SER H H 16 8.333 7.322 1.011 1
1 71 . 17 1 1 A 16 16 SER HA H 16 4.312 4.643 -0.331 1
1 74 . 17 1 1 A 17 17 GLY H H 17 8.146 8.277 -0.131 1
1 75 . 17 1 1 A 17 17 GLY HA2 H 17 4.152 3.985 0.167 1
1 76 . 17 1 1 A 17 17 GLY HA3 H 17 3.978 3.991 -0.013 1
1 77 . 17 1 1 A 18 18 ARG H H 18 7.743 7.488 0.255 1
1 78 . 17 1 1 A 18 18 ARG HA H 18 4.486 4.917 -0.431 1
1 88 . 17 1 1 A 19 19 VAL H H 19 8.681 8.846 -0.165 1
1 89 . 17 1 1 A 19 19 VAL HA H 19 4.708 4.760 -0.052 1
1 97 . 17 1 1 A 20 20 TYR H H 20 8.761 8.204 0.557 1
1 98 . 17 1 1 A 20 20 TYR HA H 20 4.936 3.889 1.047 1
1 105 . 17 1 1 A 21 21 TYR H H 21 9.100 8.098 1.002 1
1 106 . 17 1 1 A 21 21 TYR HA H 21 5.302 4.333 0.969 1
1 112 . 17 1 1 A 22 22 PHE H H 22 9.451 8.826 0.625 1
1 113 . 17 1 1 A 22 22 PHE HA H 22 5.687 4.520 1.167 1
1 117 . 17 1 1 A 23 23 ASN H H 23 8.267 8.102 0.165 1
1 118 . 17 1 1 A 23 23 ASN HA H 23 4.392 3.614 0.778 1
1 123 . 17 1 1 A 24 24 HIS H H 24 8.238 7.761 0.477 1
1 124 . 17 1 1 A 24 24 HIS HA H 24 4.174 4.505 -0.331 1
1 130 . 17 1 1 A 25 25 ILE H H 25 8.415 6.915 1.500 1
1 131 . 17 1 1 A 25 25 ILE HA H 25 3.864 3.602 0.262 1
1 141 . 17 1 1 A 26 26 THR H H 26 7.372 7.634 -0.262 1
1 142 . 17 1 1 A 26 26 THR HA H 26 4.117 4.449 -0.332 1
1 147 . 17 1 1 A 27 27 ASN H H 27 8.111 7.657 0.454 1
1 148 . 17 1 1 A 27 27 ASN HA H 27 4.157 3.696 0.461 1
1 153 . 17 1 1 A 28 28 ALA H H 28 7.173 6.805 0.368 1
1 154 . 17 1 1 A 28 28 ALA HA H 28 4.460 4.837 -0.377 1
1 158 . 17 1 1 A 29 29 SER H H 29 8.440 8.779 -0.339 1
1 159 . 17 1 1 A 29 29 SER HA H 29 6.071 5.415 0.656 1
1 162 . 17 1 1 A 30 30 GLN H H 30 9.428 8.509 0.919 1
1 163 . 17 1 1 A 30 30 GLN HA H 30 4.865 4.384 0.481 1
1 168 . 17 1 1 A 31 31 TRP H H 31 8.494 8.084 0.410 1
1 169 . 17 1 1 A 31 31 TRP HA H 31 5.002 4.575 0.427 1
1 178 . 17 1 1 A 32 32 GLU H H 32 8.156 7.980 0.176 1
1 179 . 17 1 1 A 32 32 GLU HA H 32 4.422 4.437 -0.015 1
1 182 . 17 1 1 A 33 33 ARG H H 33 8.677 8.488 0.189 1
1 183 . 17 1 1 A 33 33 ARG HA H 33 2.627 5.088 -2.461 1
1 187 . 17 1 1 A 34 34 PRO HA H 34 3.938 4.470 -0.532 1
1 194 . 17 1 1 A 35 35 SER H H 35 8.070 8.714 -0.644 1
1 195 . 17 1 1 A 35 35 SER HA H 35 4.711 4.158 0.553 1
1 1 . 18 1 1 A 4 4 LEU H H 4 8.811 8.252 0.559 1
1 2 . 18 1 1 A 4 4 LEU HA H 4 4.574 4.106 0.468 1
1 10 . 18 1 1 A 5 5 PRO HA H 5 4.891 4.674 0.217 1
1 17 . 18 1 1 A 6 6 PRO HA H 6 4.392 4.298 0.094 1
1 24 . 18 1 1 A 7 7 GLY H H 7 8.900 8.971 -0.071 1
1 25 . 18 1 1 A 7 7 GLY HA2 H 7 3.288 3.794 -0.506 1
1 26 . 18 1 1 A 7 7 GLY HA3 H 7 4.070 3.945 0.125 1
1 27 . 18 1 1 A 8 8 TRP H H 8 7.411 8.143 -0.732 1
1 28 . 18 1 1 A 8 8 TRP HA H 8 5.274 5.123 0.151 1
1 37 . 18 1 1 A 9 9 GLU H H 9 9.849 9.197 0.652 1
1 38 . 18 1 1 A 9 9 GLU HA H 9 4.875 4.973 -0.098 1
1 41 . 18 1 1 A 10 10 LYS H H 10 9.066 8.653 0.413 1
1 42 . 18 1 1 A 10 10 LYS HA H 10 4.413 4.319 0.094 1
1 43 . 18 1 1 A 11 11 ARG H H 11 8.953 8.977 -0.024 1
1 44 . 18 1 1 A 11 11 ARG HA H 11 4.464 5.119 -0.655 1
1 56 . 18 1 1 A 12 12 MET H H 12 8.342 9.119 -0.777 1
1 57 . 18 1 1 A 12 12 MET HA H 12 4.993 5.824 -0.831 1
1 60 . 18 1 1 A 13 13 SER H H 13 9.131 8.658 0.473 1
1 61 . 18 1 1 A 13 13 SER HA H 13 4.887 4.553 0.334 1
1 64 . 18 1 1 A 14 14 ARG H H 14 10.000 8.737 1.263 1
1 65 . 18 1 1 A 14 14 ARG HA H 14 4.162 4.093 0.069 1
1 67 . 18 1 1 A 15 15 SER H H 15 8.784 8.101 0.683 1
1 68 . 18 1 1 A 15 15 SER HA H 15 4.374 4.154 0.220 1
1 70 . 18 1 1 A 16 16 SER H H 16 8.333 7.631 0.702 1
1 71 . 18 1 1 A 16 16 SER HA H 16 4.312 4.689 -0.377 1
1 74 . 18 1 1 A 17 17 GLY H H 17 8.146 7.449 0.697 1
1 75 . 18 1 1 A 17 17 GLY HA2 H 17 4.152 4.184 -0.032 1
1 76 . 18 1 1 A 17 17 GLY HA3 H 17 3.978 4.196 -0.218 1
1 77 . 18 1 1 A 18 18 ARG H H 18 7.743 8.814 -1.071 1
1 78 . 18 1 1 A 18 18 ARG HA H 18 4.486 5.018 -0.532 1
1 88 . 18 1 1 A 19 19 VAL H H 19 8.681 8.893 -0.212 1
1 89 . 18 1 1 A 19 19 VAL HA H 19 4.708 4.969 -0.261 1
1 97 . 18 1 1 A 20 20 TYR H H 20 8.761 8.885 -0.124 1
1 98 . 18 1 1 A 20 20 TYR HA H 20 4.936 4.215 0.721 1
1 105 . 18 1 1 A 21 21 TYR H H 21 9.100 8.423 0.677 1
1 106 . 18 1 1 A 21 21 TYR HA H 21 5.302 4.351 0.951 1
1 112 . 18 1 1 A 22 22 PHE H H 22 9.451 8.820 0.631 1
1 113 . 18 1 1 A 22 22 PHE HA H 22 5.687 4.806 0.881 1
1 117 . 18 1 1 A 23 23 ASN H H 23 8.267 8.226 0.041 1
1 118 . 18 1 1 A 23 23 ASN HA H 23 4.392 3.612 0.780 1
1 123 . 18 1 1 A 24 24 HIS H H 24 8.238 7.695 0.543 1
1 124 . 18 1 1 A 24 24 HIS HA H 24 4.174 4.410 -0.236 1
1 130 . 18 1 1 A 25 25 ILE H H 25 8.415 7.512 0.903 1
1 131 . 18 1 1 A 25 25 ILE HA H 25 3.864 3.995 -0.131 1
1 141 . 18 1 1 A 26 26 THR H H 26 7.372 7.954 -0.582 1
1 142 . 18 1 1 A 26 26 THR HA H 26 4.117 4.269 -0.152 1
1 147 . 18 1 1 A 27 27 ASN H H 27 8.111 7.301 0.810 1
1 148 . 18 1 1 A 27 27 ASN HA H 27 4.157 4.017 0.140 1
1 153 . 18 1 1 A 28 28 ALA H H 28 7.173 6.978 0.195 1
1 154 . 18 1 1 A 28 28 ALA HA H 28 4.460 4.854 -0.394 1
1 158 . 18 1 1 A 29 29 SER H H 29 8.440 8.625 -0.185 1
1 159 . 18 1 1 A 29 29 SER HA H 29 6.071 5.415 0.656 1
1 162 . 18 1 1 A 30 30 GLN H H 30 9.428 8.538 0.890 1
1 163 . 18 1 1 A 30 30 GLN HA H 30 4.865 4.239 0.626 1
1 168 . 18 1 1 A 31 31 TRP H H 31 8.494 7.952 0.542 1
1 169 . 18 1 1 A 31 31 TRP HA H 31 5.002 4.451 0.551 1
1 178 . 18 1 1 A 32 32 GLU H H 32 8.156 7.795 0.361 1
1 179 . 18 1 1 A 32 32 GLU HA H 32 4.422 4.467 -0.045 1
1 182 . 18 1 1 A 33 33 ARG H H 33 8.677 8.429 0.248 1
1 183 . 18 1 1 A 33 33 ARG HA H 33 2.627 4.806 -2.179 1
1 187 . 18 1 1 A 34 34 PRO HA H 34 3.938 4.657 -0.719 1
1 194 . 18 1 1 A 35 35 SER H H 35 8.070 9.163 -1.093 1
1 195 . 18 1 1 A 35 35 SER HA H 35 4.711 4.696 0.015 1
1 1 . 19 1 1 A 4 4 LEU H H 4 8.811 7.336 1.475 1
1 2 . 19 1 1 A 4 4 LEU HA H 4 4.574 4.285 0.289 1
1 10 . 19 1 1 A 5 5 PRO HA H 5 4.891 4.622 0.269 1
1 17 . 19 1 1 A 6 6 PRO HA H 6 4.392 4.225 0.167 1
1 24 . 19 1 1 A 7 7 GLY H H 7 8.900 8.930 -0.030 1
1 25 . 19 1 1 A 7 7 GLY HA2 H 7 3.288 3.736 -0.448 1
1 26 . 19 1 1 A 7 7 GLY HA3 H 7 4.070 3.948 0.122 1
1 27 . 19 1 1 A 8 8 TRP H H 8 7.411 8.002 -0.591 1
1 28 . 19 1 1 A 8 8 TRP HA H 8 5.274 5.200 0.074 1
1 37 . 19 1 1 A 9 9 GLU H H 9 9.849 9.289 0.560 1
1 38 . 19 1 1 A 9 9 GLU HA H 9 4.875 5.150 -0.275 1
1 41 . 19 1 1 A 10 10 LYS H H 10 9.066 8.822 0.244 1
1 42 . 19 1 1 A 10 10 LYS HA H 10 4.413 5.056 -0.643 1
1 43 . 19 1 1 A 11 11 ARG H H 11 8.953 8.797 0.156 1
1 44 . 19 1 1 A 11 11 ARG HA H 11 4.464 5.055 -0.591 1
1 56 . 19 1 1 A 12 12 MET H H 12 8.342 8.703 -0.361 1
1 57 . 19 1 1 A 12 12 MET HA H 12 4.993 5.001 -0.008 1
1 60 . 19 1 1 A 13 13 SER H H 13 9.131 8.133 0.998 1
1 61 . 19 1 1 A 13 13 SER HA H 13 4.887 3.454 1.433 1
1 64 . 19 1 1 A 14 14 ARG H H 14 10.000 8.536 1.464 1
1 65 . 19 1 1 A 14 14 ARG HA H 14 4.162 4.491 -0.329 1
1 67 . 19 1 1 A 15 15 SER H H 15 8.784 7.677 1.107 1
1 68 . 19 1 1 A 15 15 SER HA H 15 4.374 4.602 -0.228 1
1 70 . 19 1 1 A 16 16 SER H H 16 8.333 8.089 0.244 1
1 71 . 19 1 1 A 16 16 SER HA H 16 4.312 4.364 -0.052 1
1 74 . 19 1 1 A 17 17 GLY H H 17 8.146 7.778 0.368 1
1 75 . 19 1 1 A 17 17 GLY HA2 H 17 4.152 3.903 0.249 1
1 76 . 19 1 1 A 17 17 GLY HA3 H 17 3.978 3.912 0.066 1
1 77 . 19 1 1 A 18 18 ARG H H 18 7.743 7.715 0.028 1
1 78 . 19 1 1 A 18 18 ARG HA H 18 4.486 4.419 0.067 1
1 88 . 19 1 1 A 19 19 VAL H H 19 8.681 8.620 0.061 1
1 89 . 19 1 1 A 19 19 VAL HA H 19 4.708 4.800 -0.092 1
1 97 . 19 1 1 A 20 20 TYR H H 20 8.761 8.640 0.121 1
1 98 . 19 1 1 A 20 20 TYR HA H 20 4.936 4.682 0.254 1
1 105 . 19 1 1 A 21 21 TYR H H 21 9.100 8.718 0.382 1
1 106 . 19 1 1 A 21 21 TYR HA H 21 5.302 4.411 0.891 1
1 112 . 19 1 1 A 22 22 PHE H H 22 9.451 8.597 0.854 1
1 113 . 19 1 1 A 22 22 PHE HA H 22 5.687 4.437 1.250 1
1 117 . 19 1 1 A 23 23 ASN H H 23 8.267 7.800 0.467 1
1 118 . 19 1 1 A 23 23 ASN HA H 23 4.392 3.810 0.582 1
1 123 . 19 1 1 A 24 24 HIS H H 24 8.238 7.676 0.562 1
1 124 . 19 1 1 A 24 24 HIS HA H 24 4.174 4.371 -0.197 1
1 130 . 19 1 1 A 25 25 ILE H H 25 8.415 7.569 0.846 1
1 131 . 19 1 1 A 25 25 ILE HA H 25 3.864 3.873 -0.009 1
1 141 . 19 1 1 A 26 26 THR H H 26 7.372 7.633 -0.261 1
1 142 . 19 1 1 A 26 26 THR HA H 26 4.117 4.304 -0.187 1
1 147 . 19 1 1 A 27 27 ASN H H 27 8.111 7.740 0.371 1
1 148 . 19 1 1 A 27 27 ASN HA H 27 4.157 3.895 0.262 1
1 153 . 19 1 1 A 28 28 ALA H H 28 7.173 7.314 -0.141 1
1 154 . 19 1 1 A 28 28 ALA HA H 28 4.460 4.141 0.319 1
1 158 . 19 1 1 A 29 29 SER H H 29 8.440 8.564 -0.124 1
1 159 . 19 1 1 A 29 29 SER HA H 29 6.071 5.242 0.829 1
1 162 . 19 1 1 A 30 30 GLN H H 30 9.428 8.369 1.059 1
1 163 . 19 1 1 A 30 30 GLN HA H 30 4.865 3.960 0.905 1
1 168 . 19 1 1 A 31 31 TRP H H 31 8.494 8.069 0.425 1
1 169 . 19 1 1 A 31 31 TRP HA H 31 5.002 4.225 0.777 1
1 178 . 19 1 1 A 32 32 GLU H H 32 8.156 7.961 0.195 1
1 179 . 19 1 1 A 32 32 GLU HA H 32 4.422 4.659 -0.237 1
1 182 . 19 1 1 A 33 33 ARG H H 33 8.677 8.702 -0.025 1
1 183 . 19 1 1 A 33 33 ARG HA H 33 2.627 4.246 -1.619 1
1 187 . 19 1 1 A 34 34 PRO HA H 34 3.938 4.224 -0.286 1
1 194 . 19 1 1 A 35 35 SER H H 35 8.070 7.904 0.166 1
1 195 . 19 1 1 A 35 35 SER HA H 35 4.711 4.097 0.614 1
1 1 . 20 1 1 A 4 4 LEU H H 4 8.811 8.469 0.342 1
1 2 . 20 1 1 A 4 4 LEU HA H 4 4.574 4.450 0.124 1
1 10 . 20 1 1 A 5 5 PRO HA H 5 4.891 4.719 0.172 1
1 17 . 20 1 1 A 6 6 PRO HA H 6 4.392 4.619 -0.227 1
1 24 . 20 1 1 A 7 7 GLY H H 7 8.900 8.889 0.011 1
1 25 . 20 1 1 A 7 7 GLY HA2 H 7 3.288 3.620 -0.332 1
1 26 . 20 1 1 A 7 7 GLY HA3 H 7 4.070 3.773 0.297 1
1 27 . 20 1 1 A 8 8 TRP H H 8 7.411 7.965 -0.554 1
1 28 . 20 1 1 A 8 8 TRP HA H 8 5.274 5.028 0.246 1
1 37 . 20 1 1 A 9 9 GLU H H 9 9.849 8.961 0.888 1
1 38 . 20 1 1 A 9 9 GLU HA H 9 4.875 5.081 -0.206 1
1 41 . 20 1 1 A 10 10 LYS H H 10 9.066 8.438 0.628 1
1 42 . 20 1 1 A 10 10 LYS HA H 10 4.413 4.695 -0.282 1
1 43 . 20 1 1 A 11 11 ARG H H 11 8.953 9.163 -0.210 1
1 44 . 20 1 1 A 11 11 ARG HA H 11 4.464 5.187 -0.723 1
1 56 . 20 1 1 A 12 12 MET H H 12 8.342 8.938 -0.596 1
1 57 . 20 1 1 A 12 12 MET HA H 12 4.993 5.854 -0.861 1
1 60 . 20 1 1 A 13 13 SER H H 13 9.131 8.828 0.303 1
1 61 . 20 1 1 A 13 13 SER HA H 13 4.887 4.132 0.755 1
1 64 . 20 1 1 A 14 14 ARG H H 14 10.000 8.746 1.254 1
1 65 . 20 1 1 A 14 14 ARG HA H 14 4.162 3.995 0.167 1
1 67 . 20 1 1 A 15 15 SER H H 15 8.784 7.722 1.062 1
1 68 . 20 1 1 A 15 15 SER HA H 15 4.374 4.392 -0.018 1
1 70 . 20 1 1 A 16 16 SER H H 16 8.333 9.037 -0.704 1
1 71 . 20 1 1 A 16 16 SER HA H 16 4.312 4.213 0.099 1
1 74 . 20 1 1 A 17 17 GLY H H 17 8.146 8.552 -0.406 1
1 75 . 20 1 1 A 17 17 GLY HA2 H 17 4.152 3.961 0.191 1
1 76 . 20 1 1 A 17 17 GLY HA3 H 17 3.978 3.970 0.008 1
1 77 . 20 1 1 A 18 18 ARG H H 18 7.743 7.677 0.066 1
1 78 . 20 1 1 A 18 18 ARG HA H 18 4.486 4.453 0.033 1
1 88 . 20 1 1 A 19 19 VAL H H 19 8.681 8.789 -0.108 1
1 89 . 20 1 1 A 19 19 VAL HA H 19 4.708 4.763 -0.055 1
1 97 . 20 1 1 A 20 20 TYR H H 20 8.761 8.531 0.230 1
1 98 . 20 1 1 A 20 20 TYR HA H 20 4.936 3.939 0.997 1
1 105 . 20 1 1 A 21 21 TYR H H 21 9.100 8.527 0.573 1
1 106 . 20 1 1 A 21 21 TYR HA H 21 5.302 4.381 0.921 1
1 112 . 20 1 1 A 22 22 PHE H H 22 9.451 8.807 0.644 1
1 113 . 20 1 1 A 22 22 PHE HA H 22 5.687 4.856 0.831 1
1 117 . 20 1 1 A 23 23 ASN H H 23 8.267 8.242 0.025 1
1 118 . 20 1 1 A 23 23 ASN HA H 23 4.392 3.915 0.477 1
1 123 . 20 1 1 A 24 24 HIS H H 24 8.238 7.557 0.681 1
1 124 . 20 1 1 A 24 24 HIS HA H 24 4.174 4.093 0.081 1
1 130 . 20 1 1 A 25 25 ILE H H 25 8.415 7.440 0.975 1
1 131 . 20 1 1 A 25 25 ILE HA H 25 3.864 3.680 0.184 1
1 141 . 20 1 1 A 26 26 THR H H 26 7.372 7.875 -0.503 1
1 142 . 20 1 1 A 26 26 THR HA H 26 4.117 4.259 -0.142 1
1 147 . 20 1 1 A 27 27 ASN H H 27 8.111 7.688 0.423 1
1 148 . 20 1 1 A 27 27 ASN HA H 27 4.157 4.177 -0.020 1
1 153 . 20 1 1 A 28 28 ALA H H 28 7.173 7.281 -0.108 1
1 154 . 20 1 1 A 28 28 ALA HA H 28 4.460 4.286 0.174 1
1 158 . 20 1 1 A 29 29 SER H H 29 8.440 8.504 -0.064 1
1 159 . 20 1 1 A 29 29 SER HA H 29 6.071 5.238 0.833 1
1 162 . 20 1 1 A 30 30 GLN H H 30 9.428 8.439 0.989 1
1 163 . 20 1 1 A 30 30 GLN HA H 30 4.865 3.940 0.925 1
1 168 . 20 1 1 A 31 31 TRP H H 31 8.494 7.862 0.632 1
1 169 . 20 1 1 A 31 31 TRP HA H 31 5.002 4.437 0.565 1
1 178 . 20 1 1 A 32 32 GLU H H 32 8.156 7.798 0.358 1
1 179 . 20 1 1 A 32 32 GLU HA H 32 4.422 4.419 0.003 1
1 182 . 20 1 1 A 33 33 ARG H H 33 8.677 8.378 0.299 1
1 183 . 20 1 1 A 33 33 ARG HA H 33 2.627 5.022 -2.395 1
1 187 . 20 1 1 A 34 34 PRO HA H 34 3.938 4.496 -0.558 1
1 194 . 20 1 1 A 35 35 SER H H 35 8.070 8.727 -0.657 1
1 195 . 20 1 1 A 35 35 SER HA H 35 4.711 4.088 0.623 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 29 0.548 1
5 1 1 1 "RMS(OBS, PRED)" HA 34 0.553 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 29 0.650 1
11 1 2 1 "RMS(OBS, PRED)" HA 34 0.520 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 29 0.592 1
17 1 3 1 "RMS(OBS, PRED)" HA 34 0.524 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 29 0.544 1
23 1 4 1 "RMS(OBS, PRED)" HA 34 0.524 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 29 0.593 1
29 1 5 1 "RMS(OBS, PRED)" HA 34 0.523 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 29 0.584 1
35 1 6 1 "RMS(OBS, PRED)" HA 34 0.593 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 29 0.483 1
41 1 7 1 "RMS(OBS, PRED)" HA 34 0.488 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 29 0.659 1
47 1 8 1 "RMS(OBS, PRED)" HA 34 0.548 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 29 0.638 1
53 1 9 1 "RMS(OBS, PRED)" HA 34 0.554 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 29 0.723 1
59 1 10 1 "RMS(OBS, PRED)" HA 34 0.543 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 29 0.510 1
65 1 11 1 "RMS(OBS, PRED)" HA 34 0.602 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 29 0.704 1
71 1 12 1 "RMS(OBS, PRED)" HA 34 0.503 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 29 0.763 1
77 1 13 1 "RMS(OBS, PRED)" HA 34 0.473 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 29 0.776 1
83 1 14 1 "RMS(OBS, PRED)" HA 34 0.612 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 29 0.647 1
89 1 15 1 "RMS(OBS, PRED)" HA 34 0.682 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 29 0.770 1
95 1 16 1 "RMS(OBS, PRED)" HA 34 0.643 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 29 0.644 1
101 1 17 1 "RMS(OBS, PRED)" HA 34 0.654 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 29 0.656 1
107 1 18 1 "RMS(OBS, PRED)" HA 34 0.600 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 29 0.637 1
113 1 19 1 "RMS(OBS, PRED)" HA 34 0.598 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 29 0.602 1
119 1 20 1 "RMS(OBS, PRED)" HA 34 0.641 1
120 1 20 1 "RMS(OBS, PRED)" N 0 0.000 1
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Conformer_type "average"
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Assigned_chem_shift_list_ID
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.PDB_asym_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entity_delta_chem_shifts_ID
1 1 . 1 1 A 4 4 LEU H H 4 8.811 7.995 0.816 2
1 2 . 1 1 A 4 4 LEU HA H 4 4.574 4.345 0.229 2
1 10 . 1 1 A 5 5 PRO HA H 5 4.891 4.685 0.206 2
1 17 . 1 1 A 6 6 PRO HA H 6 4.392 4.462 -0.070 2
1 24 . 1 1 A 7 7 GLY H H 7 8.900 8.934 -0.034 2
1 25 . 1 1 A 7 7 GLY HA2 H 7 3.288 3.694 -0.406 2
1 26 . 1 1 A 7 7 GLY HA3 H 7 4.070 3.925 0.146 2
1 27 . 1 1 A 8 8 TRP H H 8 7.411 8.012 -0.601 2
1 28 . 1 1 A 8 8 TRP HA H 8 5.274 5.070 0.204 2
1 37 . 1 1 A 9 9 GLU H H 9 9.849 8.960 0.889 2
1 38 . 1 1 A 9 9 GLU HA H 9 4.875 4.884 -0.009 2
1 41 . 1 1 A 10 10 LYS H H 10 9.066 8.558 0.508 2
1 42 . 1 1 A 10 10 LYS HA H 10 4.413 4.466 -0.053 2
1 43 . 1 1 A 11 11 ARG H H 11 8.953 8.667 0.286 2
1 44 . 1 1 A 11 11 ARG HA H 11 4.464 4.797 -0.333 2
1 56 . 1 1 A 12 12 MET H H 12 8.342 8.833 -0.491 2
1 57 . 1 1 A 12 12 MET HA H 12 4.993 5.469 -0.476 2
1 60 . 1 1 A 13 13 SER H H 13 9.131 8.871 0.260 2
1 61 . 1 1 A 13 13 SER HA H 13 4.887 4.460 0.427 2
1 64 . 1 1 A 14 14 ARG H H 14 10.000 8.653 1.347 2
1 65 . 1 1 A 14 14 ARG HA H 14 4.162 4.138 0.024 2
1 67 . 1 1 A 15 15 SER H H 15 8.784 8.048 0.736 2
1 68 . 1 1 A 15 15 SER HA H 15 4.374 4.312 0.061 2
1 70 . 1 1 A 16 16 SER H H 16 8.333 8.391 -0.058 2
1 71 . 1 1 A 16 16 SER HA H 16 4.312 4.459 -0.147 2
1 74 . 1 1 A 17 17 GLY H H 17 8.146 8.352 -0.206 2
1 75 . 1 1 A 17 17 GLY HA2 H 17 4.152 3.984 0.168 2
1 76 . 1 1 A 17 17 GLY HA3 H 17 3.978 3.994 -0.016 2
1 77 . 1 1 A 18 18 ARG H H 18 7.743 7.841 -0.098 2
1 78 . 1 1 A 18 18 ARG HA H 18 4.486 4.722 -0.236 2
1 88 . 1 1 A 19 19 VAL H H 19 8.681 8.814 -0.133 2
1 89 . 1 1 A 19 19 VAL HA H 19 4.708 4.902 -0.194 2
1 97 . 1 1 A 20 20 TYR H H 20 8.761 8.506 0.255 2
1 98 . 1 1 A 20 20 TYR HA H 20 4.936 4.495 0.441 2
1 105 . 1 1 A 21 21 TYR H H 21 9.100 8.667 0.433 2
1 106 . 1 1 A 21 21 TYR HA H 21 5.302 4.829 0.473 2
1 112 . 1 1 A 22 22 PHE H H 22 9.451 9.090 0.361 2
1 113 . 1 1 A 22 22 PHE HA H 22 5.687 4.984 0.703 2
1 117 . 1 1 A 23 23 ASN H H 23 8.267 7.822 0.445 2
1 118 . 1 1 A 23 23 ASN HA H 23 4.392 3.707 0.685 2
1 123 . 1 1 A 24 24 HIS H H 24 8.238 7.779 0.459 2
1 124 . 1 1 A 24 24 HIS HA H 24 4.174 4.288 -0.114 2
1 130 . 1 1 A 25 25 ILE H H 25 8.415 7.397 1.018 2
1 131 . 1 1 A 25 25 ILE HA H 25 3.864 3.724 0.140 2
1 141 . 1 1 A 26 26 THR H H 26 7.372 7.700 -0.329 2
1 142 . 1 1 A 26 26 THR HA H 26 4.117 4.317 -0.200 2
1 147 . 1 1 A 27 27 ASN H H 27 8.111 7.704 0.407 2
1 148 . 1 1 A 27 27 ASN HA H 27 4.157 4.041 0.116 2
1 153 . 1 1 A 28 28 ALA H H 28 7.173 7.169 0.004 2
1 154 . 1 1 A 28 28 ALA HA H 28 4.460 4.627 -0.167 2
1 158 . 1 1 A 29 29 SER H H 29 8.440 8.675 -0.235 2
1 159 . 1 1 A 29 29 SER HA H 29 6.071 5.491 0.580 2
1 162 . 1 1 A 30 30 GLN H H 30 9.428 8.418 1.010 2
1 163 . 1 1 A 30 30 GLN HA H 30 4.865 4.240 0.625 2
1 168 . 1 1 A 31 31 TRP H H 31 8.494 8.197 0.297 2
1 169 . 1 1 A 31 31 TRP HA H 31 5.002 4.688 0.314 2
1 178 . 1 1 A 32 32 GLU H H 32 8.156 7.858 0.298 2
1 179 . 1 1 A 32 32 GLU HA H 32 4.422 4.410 0.012 2
1 182 . 1 1 A 33 33 ARG H H 33 8.677 8.556 0.121 2
1 183 . 1 1 A 33 33 ARG HA H 33 2.627 4.795 -2.168 2
1 187 . 1 1 A 34 34 PRO HA H 34 3.938 4.637 -0.699 2
1 194 . 1 1 A 35 35 SER H H 35 8.070 8.584 -0.514 2
1 195 . 1 1 A 35 35 SER HA H 35 4.711 4.476 0.235 2
stop_
save_