data_16504_sparta
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 16504
_Entry.PDB_ID 2KOE
_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 18
_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 6 . 1 1 1 A 2 2 VAL H H 2 8.629 7.937 0.692 1
1 7 . 1 1 1 A 2 2 VAL HA H 2 4.148 3.816 0.332 1
1 15 . 1 1 1 A 3 3 PHE H H 3 7.868 8.329 -0.461 1
1 16 . 1 1 1 A 3 3 PHE HA H 3 4.503 4.175 0.328 1
1 21 . 1 1 1 A 4 4 ALA H H 4 7.937 8.598 -0.661 1
1 22 . 1 1 1 A 4 4 ALA HA H 4 4.160 4.088 0.072 1
1 26 . 1 1 1 A 5 5 PHE H H 5 7.561 7.897 -0.336 1
1 27 . 1 1 1 A 5 5 PHE HA H 5 4.426 4.080 0.346 1
1 32 . 1 1 1 A 6 6 ALA H H 6 8.210 8.929 -0.719 1
1 33 . 1 1 1 A 6 6 ALA HA H 6 4.013 3.952 0.061 1
1 37 . 1 1 1 A 7 7 SER H H 7 7.973 8.366 -0.393 1
1 38 . 1 1 1 A 7 7 SER HA H 7 4.158 4.011 0.147 1
1 41 . 1 1 1 A 8 8 MET H H 8 7.786 8.810 -1.024 1
1 42 . 1 1 1 A 8 8 MET HA H 8 4.276 3.959 0.317 1
1 47 . 1 1 1 A 9 9 LEU H H 9 8.056 8.797 -0.741 1
1 48 . 1 1 1 A 9 9 LEU HA H 9 4.015 3.796 0.219 1
1 58 . 1 1 1 A 10 10 CYS H H 10 8.043 8.831 -0.788 1
1 59 . 1 1 1 A 10 10 CYS HA H 10 4.004 3.972 0.032 1
1 62 . 1 1 1 A 11 11 LEU H H 11 8.044 8.007 0.037 1
1 63 . 1 1 1 A 11 11 LEU HA H 11 4.162 4.214 -0.052 1
1 73 . 1 1 1 A 12 12 LEU H H 12 8.618 8.156 0.462 1
1 74 . 1 1 1 A 12 12 LEU HA H 12 4.129 3.897 0.232 1
1 84 . 1 1 1 A 13 13 ASN H H 13 8.246 8.115 0.131 1
1 85 . 1 1 1 A 13 13 ASN HA H 13 4.644 4.651 -0.007 1
1 90 . 1 1 1 A 14 14 SER H H 14 7.990 8.014 -0.024 1
1 91 . 1 1 1 A 14 14 SER HA H 14 4.496 4.224 0.272 1
1 94 . 1 1 1 A 15 15 THR H H 15 7.784 8.044 -0.260 1
1 95 . 1 1 1 A 15 15 THR HA H 15 4.418 4.203 0.215 1
1 100 . 1 1 1 A 16 16 VAL H H 16 7.895 7.623 0.272 1
1 101 . 1 1 1 A 16 16 VAL HA H 16 4.136 4.553 -0.417 1
1 109 . 1 1 1 A 17 17 ASN H H 17 7.755 8.847 -1.092 1
1 110 . 1 1 1 A 17 17 ASN HA H 17 4.930 5.048 -0.118 1
1 115 . 1 1 1 A 18 18 PRO HA H 18 4.479 4.375 0.104 1
1 122 . 1 1 1 A 19 19 ILE H H 19 7.785 8.197 -0.412 1
1 123 . 1 1 1 A 19 19 ILE HA H 19 3.909 4.100 -0.191 1
1 130 . 1 1 1 A 20 20 ILE H H 20 7.680 7.658 0.022 1
1 131 . 1 1 1 A 20 20 ILE HA H 20 3.812 4.110 -0.298 1
1 138 . 1 1 1 A 21 21 TYR H H 21 8.159 7.563 0.596 1
1 139 . 1 1 1 A 21 21 TYR HA H 21 4.400 4.358 0.042 1
1 146 . 1 1 1 A 22 22 ALA H H 22 8.204 8.238 -0.034 1
1 147 . 1 1 1 A 22 22 ALA HA H 22 3.809 4.222 -0.413 1
1 151 . 1 1 1 A 23 23 LEU H H 23 8.510 9.180 -0.670 1
1 152 . 1 1 1 A 23 23 LEU HA H 23 4.108 4.527 -0.419 1
1 162 . 1 1 1 A 24 24 ARG H H 24 8.698 7.884 0.814 1
1 163 . 1 1 1 A 24 24 ARG HA H 24 4.098 3.948 0.150 1
1 170 . 1 1 1 A 25 25 SER H H 25 8.136 8.997 -0.861 1
1 171 . 1 1 1 A 25 25 SER HA H 25 4.148 4.413 -0.265 1
1 174 . 1 1 1 A 26 26 LYS H H 26 7.916 8.841 -0.925 1
1 175 . 1 1 1 A 26 26 LYS HA H 26 4.099 3.943 0.156 1
1 184 . 1 1 1 A 27 27 ASP H H 27 8.263 8.156 0.107 1
1 185 . 1 1 1 A 27 27 ASP HA H 27 4.560 4.614 -0.054 1
1 188 . 1 1 1 A 28 28 LEU H H 28 8.328 7.972 0.356 1
1 189 . 1 1 1 A 28 28 LEU HA H 28 4.191 4.004 0.187 1
1 199 . 1 1 1 A 29 29 ARG H H 29 8.122 8.573 -0.451 1
1 200 . 1 1 1 A 29 29 ARG HA H 29 4.124 3.914 0.210 1
1 207 . 1 1 1 A 30 30 HIS H H 30 8.150 7.904 0.246 1
1 208 . 1 1 1 A 30 30 HIS HA H 30 4.458 4.248 0.210 1
1 212 . 1 1 1 A 31 31 ALA H H 31 8.277 6.715 1.562 1
1 213 . 1 1 1 A 31 31 ALA HA H 31 4.142 3.960 0.182 1
1 217 . 1 1 1 A 32 32 PHE H H 32 8.417 9.279 -0.862 1
1 218 . 1 1 1 A 32 32 PHE HA H 32 4.489 4.043 0.446 1
1 223 . 1 1 1 A 33 33 ARG H H 33 8.077 8.142 -0.065 1
1 224 . 1 1 1 A 33 33 ARG HA H 33 4.219 4.390 -0.171 1
1 229 . 1 1 1 A 34 34 SER H H 34 7.893 8.882 -0.989 1
1 230 . 1 1 1 A 34 34 SER HA H 34 4.384 4.778 -0.394 1
1 233 . 1 1 1 A 35 35 MET H H 35 7.799 8.505 -0.706 1
1 234 . 1 1 1 A 35 35 MET HA H 35 4.309 4.629 -0.320 1
1 239 . 1 1 1 A 36 36 PHE H H 36 7.743 7.565 0.178 1
1 240 . 1 1 1 A 36 36 PHE HA H 36 4.927 4.265 0.662 1
1 245 . 1 1 1 A 37 37 PRO HA H 37 4.517 4.328 0.189 1
1 252 . 1 1 1 A 38 38 SER H H 38 8.097 6.771 1.326 1
1 253 . 1 1 1 A 38 38 SER HA H 38 4.531 3.977 0.554 1
1 256 . 1 1 1 A 39 39 ALA H H 39 8.217 7.582 0.635 1
1 257 . 1 1 1 A 39 39 ALA HA H 39 4.265 4.023 0.242 1
1 6 . 2 1 1 A 2 2 VAL H H 2 8.629 7.647 0.982 1
1 7 . 2 1 1 A 2 2 VAL HA H 2 4.148 3.642 0.506 1
1 15 . 2 1 1 A 3 3 PHE H H 3 7.868 8.373 -0.505 1
1 16 . 2 1 1 A 3 3 PHE HA H 3 4.503 4.303 0.200 1
1 21 . 2 1 1 A 4 4 ALA H H 4 7.937 7.193 0.744 1
1 22 . 2 1 1 A 4 4 ALA HA H 4 4.160 3.265 0.895 1
1 26 . 2 1 1 A 5 5 PHE H H 5 7.561 7.744 -0.183 1
1 27 . 2 1 1 A 5 5 PHE HA H 5 4.426 3.992 0.434 1
1 32 . 2 1 1 A 6 6 ALA H H 6 8.210 9.117 -0.907 1
1 33 . 2 1 1 A 6 6 ALA HA H 6 4.013 4.008 0.005 1
1 37 . 2 1 1 A 7 7 SER H H 7 7.973 8.241 -0.268 1
1 38 . 2 1 1 A 7 7 SER HA H 7 4.158 4.108 0.050 1
1 41 . 2 1 1 A 8 8 MET H H 8 7.786 8.077 -0.291 1
1 42 . 2 1 1 A 8 8 MET HA H 8 4.276 4.006 0.270 1
1 47 . 2 1 1 A 9 9 LEU H H 9 8.056 8.902 -0.846 1
1 48 . 2 1 1 A 9 9 LEU HA H 9 4.015 3.805 0.210 1
1 58 . 2 1 1 A 10 10 CYS H H 10 8.043 8.588 -0.545 1
1 59 . 2 1 1 A 10 10 CYS HA H 10 4.004 4.019 -0.015 1
1 62 . 2 1 1 A 11 11 LEU H H 11 8.044 8.246 -0.202 1
1 63 . 2 1 1 A 11 11 LEU HA H 11 4.162 3.947 0.215 1
1 73 . 2 1 1 A 12 12 LEU H H 12 8.618 8.718 -0.100 1
1 74 . 2 1 1 A 12 12 LEU HA H 12 4.129 4.137 -0.008 1
1 84 . 2 1 1 A 13 13 ASN H H 13 8.246 8.679 -0.433 1
1 85 . 2 1 1 A 13 13 ASN HA H 13 4.644 4.849 -0.205 1
1 90 . 2 1 1 A 14 14 SER H H 14 7.990 8.409 -0.419 1
1 91 . 2 1 1 A 14 14 SER HA H 14 4.496 4.326 0.170 1
1 94 . 2 1 1 A 15 15 THR H H 15 7.784 7.493 0.291 1
1 95 . 2 1 1 A 15 15 THR HA H 15 4.418 4.584 -0.166 1
1 100 . 2 1 1 A 16 16 VAL H H 16 7.895 7.895 0.000 1
1 101 . 2 1 1 A 16 16 VAL HA H 16 4.136 4.310 -0.174 1
1 109 . 2 1 1 A 17 17 ASN H H 17 7.755 8.575 -0.820 1
1 110 . 2 1 1 A 17 17 ASN HA H 17 4.930 5.215 -0.285 1
1 115 . 2 1 1 A 18 18 PRO HA H 18 4.479 4.446 0.033 1
1 122 . 2 1 1 A 19 19 ILE H H 19 7.785 9.149 -1.364 1
1 123 . 2 1 1 A 19 19 ILE HA H 19 3.909 4.180 -0.271 1
1 130 . 2 1 1 A 20 20 ILE H H 20 7.680 7.498 0.182 1
1 131 . 2 1 1 A 20 20 ILE HA H 20 3.812 3.965 -0.153 1
1 138 . 2 1 1 A 21 21 TYR H H 21 8.159 7.116 1.043 1
1 139 . 2 1 1 A 21 21 TYR HA H 21 4.400 4.572 -0.172 1
1 146 . 2 1 1 A 22 22 ALA H H 22 8.204 8.825 -0.621 1
1 147 . 2 1 1 A 22 22 ALA HA H 22 3.809 4.563 -0.754 1
1 151 . 2 1 1 A 23 23 LEU H H 23 8.510 7.997 0.513 1
1 152 . 2 1 1 A 23 23 LEU HA H 23 4.108 4.603 -0.495 1
1 162 . 2 1 1 A 24 24 ARG H H 24 8.698 8.408 0.290 1
1 163 . 2 1 1 A 24 24 ARG HA H 24 4.098 4.155 -0.057 1
1 170 . 2 1 1 A 25 25 SER H H 25 8.136 8.503 -0.367 1
1 171 . 2 1 1 A 25 25 SER HA H 25 4.148 4.351 -0.203 1
1 174 . 2 1 1 A 26 26 LYS H H 26 7.916 8.650 -0.734 1
1 175 . 2 1 1 A 26 26 LYS HA H 26 4.099 4.070 0.029 1
1 184 . 2 1 1 A 27 27 ASP H H 27 8.263 8.048 0.215 1
1 185 . 2 1 1 A 27 27 ASP HA H 27 4.560 5.166 -0.606 1
1 188 . 2 1 1 A 28 28 LEU H H 28 8.328 8.857 -0.529 1
1 189 . 2 1 1 A 28 28 LEU HA H 28 4.191 4.111 0.080 1
1 199 . 2 1 1 A 29 29 ARG H H 29 8.122 8.767 -0.645 1
1 200 . 2 1 1 A 29 29 ARG HA H 29 4.124 4.130 -0.006 1
1 207 . 2 1 1 A 30 30 HIS H H 30 8.150 8.151 -0.001 1
1 208 . 2 1 1 A 30 30 HIS HA H 30 4.458 4.264 0.194 1
1 212 . 2 1 1 A 31 31 ALA H H 31 8.277 6.476 1.801 1
1 213 . 2 1 1 A 31 31 ALA HA H 31 4.142 3.742 0.400 1
1 217 . 2 1 1 A 32 32 PHE H H 32 8.417 8.058 0.359 1
1 218 . 2 1 1 A 32 32 PHE HA H 32 4.489 4.275 0.214 1
1 223 . 2 1 1 A 33 33 ARG H H 33 8.077 8.553 -0.476 1
1 224 . 2 1 1 A 33 33 ARG HA H 33 4.219 4.102 0.117 1
1 229 . 2 1 1 A 34 34 SER H H 34 7.893 8.776 -0.883 1
1 230 . 2 1 1 A 34 34 SER HA H 34 4.384 4.630 -0.246 1
1 233 . 2 1 1 A 35 35 MET H H 35 7.799 9.125 -1.326 1
1 234 . 2 1 1 A 35 35 MET HA H 35 4.309 4.593 -0.284 1
1 239 . 2 1 1 A 36 36 PHE H H 36 7.743 9.039 -1.296 1
1 240 . 2 1 1 A 36 36 PHE HA H 36 4.927 4.827 0.100 1
1 245 . 2 1 1 A 37 37 PRO HA H 37 4.517 4.410 0.107 1
1 252 . 2 1 1 A 38 38 SER H H 38 8.097 7.851 0.246 1
1 253 . 2 1 1 A 38 38 SER HA H 38 4.531 4.313 0.218 1
1 256 . 2 1 1 A 39 39 ALA H H 39 8.217 7.787 0.430 1
1 257 . 2 1 1 A 39 39 ALA HA H 39 4.265 4.141 0.124 1
1 6 . 3 1 1 A 2 2 VAL H H 2 8.629 8.086 0.543 1
1 7 . 3 1 1 A 2 2 VAL HA H 2 4.148 3.631 0.517 1
1 15 . 3 1 1 A 3 3 PHE H H 3 7.868 8.475 -0.607 1
1 16 . 3 1 1 A 3 3 PHE HA H 3 4.503 4.006 0.497 1
1 21 . 3 1 1 A 4 4 ALA H H 4 7.937 8.078 -0.141 1
1 22 . 3 1 1 A 4 4 ALA HA H 4 4.160 3.160 1.000 1
1 26 . 3 1 1 A 5 5 PHE H H 5 7.561 7.869 -0.308 1
1 27 . 3 1 1 A 5 5 PHE HA H 5 4.426 4.057 0.369 1
1 32 . 3 1 1 A 6 6 ALA H H 6 8.210 8.979 -0.769 1
1 33 . 3 1 1 A 6 6 ALA HA H 6 4.013 4.042 -0.029 1
1 37 . 3 1 1 A 7 7 SER H H 7 7.973 8.397 -0.424 1
1 38 . 3 1 1 A 7 7 SER HA H 7 4.158 4.126 0.032 1
1 41 . 3 1 1 A 8 8 MET H H 8 7.786 8.418 -0.632 1
1 42 . 3 1 1 A 8 8 MET HA H 8 4.276 4.071 0.205 1
1 47 . 3 1 1 A 9 9 LEU H H 9 8.056 8.871 -0.815 1
1 48 . 3 1 1 A 9 9 LEU HA H 9 4.015 3.816 0.199 1
1 58 . 3 1 1 A 10 10 CYS H H 10 8.043 8.562 -0.519 1
1 59 . 3 1 1 A 10 10 CYS HA H 10 4.004 4.035 -0.031 1
1 62 . 3 1 1 A 11 11 LEU H H 11 8.044 8.552 -0.508 1
1 63 . 3 1 1 A 11 11 LEU HA H 11 4.162 3.927 0.235 1
1 73 . 3 1 1 A 12 12 LEU H H 12 8.618 8.736 -0.118 1
1 74 . 3 1 1 A 12 12 LEU HA H 12 4.129 3.813 0.316 1
1 84 . 3 1 1 A 13 13 ASN H H 13 8.246 9.031 -0.785 1
1 85 . 3 1 1 A 13 13 ASN HA H 13 4.644 4.467 0.177 1
1 90 . 3 1 1 A 14 14 SER H H 14 7.990 8.205 -0.215 1
1 91 . 3 1 1 A 14 14 SER HA H 14 4.496 4.439 0.057 1
1 94 . 3 1 1 A 15 15 THR H H 15 7.784 8.330 -0.546 1
1 95 . 3 1 1 A 15 15 THR HA H 15 4.418 4.696 -0.278 1
1 100 . 3 1 1 A 16 16 VAL H H 16 7.895 8.065 -0.170 1
1 101 . 3 1 1 A 16 16 VAL HA H 16 4.136 4.247 -0.111 1
1 109 . 3 1 1 A 17 17 ASN H H 17 7.755 8.231 -0.476 1
1 110 . 3 1 1 A 17 17 ASN HA H 17 4.930 5.091 -0.161 1
1 115 . 3 1 1 A 18 18 PRO HA H 18 4.479 4.391 0.088 1
1 122 . 3 1 1 A 19 19 ILE H H 19 7.785 7.891 -0.106 1
1 123 . 3 1 1 A 19 19 ILE HA H 19 3.909 3.839 0.070 1
1 130 . 3 1 1 A 20 20 ILE H H 20 7.680 7.287 0.393 1
1 131 . 3 1 1 A 20 20 ILE HA H 20 3.812 4.258 -0.446 1
1 138 . 3 1 1 A 21 21 TYR H H 21 8.159 7.276 0.883 1
1 139 . 3 1 1 A 21 21 TYR HA H 21 4.400 4.974 -0.574 1
1 146 . 3 1 1 A 22 22 ALA H H 22 8.204 8.420 -0.216 1
1 147 . 3 1 1 A 22 22 ALA HA H 22 3.809 4.361 -0.552 1
1 151 . 3 1 1 A 23 23 LEU H H 23 8.510 9.370 -0.860 1
1 152 . 3 1 1 A 23 23 LEU HA H 23 4.108 3.886 0.222 1
1 162 . 3 1 1 A 24 24 ARG H H 24 8.698 9.337 -0.639 1
1 163 . 3 1 1 A 24 24 ARG HA H 24 4.098 4.119 -0.021 1
1 170 . 3 1 1 A 25 25 SER H H 25 8.136 7.994 0.142 1
1 171 . 3 1 1 A 25 25 SER HA H 25 4.148 4.606 -0.458 1
1 174 . 3 1 1 A 26 26 LYS H H 26 7.916 7.840 0.076 1
1 175 . 3 1 1 A 26 26 LYS HA H 26 4.099 4.046 0.053 1
1 184 . 3 1 1 A 27 27 ASP H H 27 8.263 8.471 -0.208 1
1 185 . 3 1 1 A 27 27 ASP HA H 27 4.560 4.958 -0.398 1
1 188 . 3 1 1 A 28 28 LEU H H 28 8.328 8.284 0.044 1
1 189 . 3 1 1 A 28 28 LEU HA H 28 4.191 4.150 0.041 1
1 199 . 3 1 1 A 29 29 ARG H H 29 8.122 7.819 0.303 1
1 200 . 3 1 1 A 29 29 ARG HA H 29 4.124 3.752 0.372 1
1 207 . 3 1 1 A 30 30 HIS H H 30 8.150 8.220 -0.070 1
1 208 . 3 1 1 A 30 30 HIS HA H 30 4.458 4.242 0.216 1
1 212 . 3 1 1 A 31 31 ALA H H 31 8.277 6.120 2.157 1
1 213 . 3 1 1 A 31 31 ALA HA H 31 4.142 3.720 0.422 1
1 217 . 3 1 1 A 32 32 PHE H H 32 8.417 8.737 -0.320 1
1 218 . 3 1 1 A 32 32 PHE HA H 32 4.489 4.244 0.245 1
1 223 . 3 1 1 A 33 33 ARG H H 33 8.077 8.850 -0.773 1
1 224 . 3 1 1 A 33 33 ARG HA H 33 4.219 4.197 0.022 1
1 229 . 3 1 1 A 34 34 SER H H 34 7.893 7.914 -0.021 1
1 230 . 3 1 1 A 34 34 SER HA H 34 4.384 4.704 -0.320 1
1 233 . 3 1 1 A 35 35 MET H H 35 7.799 8.519 -0.720 1
1 234 . 3 1 1 A 35 35 MET HA H 35 4.309 4.592 -0.283 1
1 239 . 3 1 1 A 36 36 PHE H H 36 7.743 7.618 0.125 1
1 240 . 3 1 1 A 36 36 PHE HA H 36 4.927 4.469 0.458 1
1 245 . 3 1 1 A 37 37 PRO HA H 37 4.517 4.232 0.285 1
1 252 . 3 1 1 A 38 38 SER H H 38 8.097 7.680 0.417 1
1 253 . 3 1 1 A 38 38 SER HA H 38 4.531 4.227 0.304 1
1 256 . 3 1 1 A 39 39 ALA H H 39 8.217 7.476 0.741 1
1 257 . 3 1 1 A 39 39 ALA HA H 39 4.265 4.189 0.076 1
1 6 . 4 1 1 A 2 2 VAL H H 2 8.629 7.403 1.226 1
1 7 . 4 1 1 A 2 2 VAL HA H 2 4.148 3.702 0.446 1
1 15 . 4 1 1 A 3 3 PHE H H 3 7.868 7.039 0.829 1
1 16 . 4 1 1 A 3 3 PHE HA H 3 4.503 4.429 0.074 1
1 21 . 4 1 1 A 4 4 ALA H H 4 7.937 8.206 -0.269 1
1 22 . 4 1 1 A 4 4 ALA HA H 4 4.160 4.250 -0.090 1
1 26 . 4 1 1 A 5 5 PHE H H 5 7.561 8.795 -1.234 1
1 27 . 4 1 1 A 5 5 PHE HA H 5 4.426 4.047 0.379 1
1 32 . 4 1 1 A 6 6 ALA H H 6 8.210 8.899 -0.689 1
1 33 . 4 1 1 A 6 6 ALA HA H 6 4.013 3.951 0.062 1
1 37 . 4 1 1 A 7 7 SER H H 7 7.973 7.731 0.242 1
1 38 . 4 1 1 A 7 7 SER HA H 7 4.158 4.173 -0.015 1
1 41 . 4 1 1 A 8 8 MET H H 8 7.786 8.792 -1.006 1
1 42 . 4 1 1 A 8 8 MET HA H 8 4.276 4.029 0.247 1
1 47 . 4 1 1 A 9 9 LEU H H 9 8.056 8.714 -0.658 1
1 48 . 4 1 1 A 9 9 LEU HA H 9 4.015 3.672 0.343 1
1 58 . 4 1 1 A 10 10 CYS H H 10 8.043 8.242 -0.199 1
1 59 . 4 1 1 A 10 10 CYS HA H 10 4.004 3.952 0.052 1
1 62 . 4 1 1 A 11 11 LEU H H 11 8.044 8.396 -0.352 1
1 63 . 4 1 1 A 11 11 LEU HA H 11 4.162 3.984 0.178 1
1 73 . 4 1 1 A 12 12 LEU H H 12 8.618 8.691 -0.073 1
1 74 . 4 1 1 A 12 12 LEU HA H 12 4.129 3.987 0.142 1
1 84 . 4 1 1 A 13 13 ASN H H 13 8.246 8.243 0.003 1
1 85 . 4 1 1 A 13 13 ASN HA H 13 4.644 5.050 -0.406 1
1 90 . 4 1 1 A 14 14 SER H H 14 7.990 8.445 -0.455 1
1 91 . 4 1 1 A 14 14 SER HA H 14 4.496 4.255 0.241 1
1 94 . 4 1 1 A 15 15 THR H H 15 7.784 7.852 -0.068 1
1 95 . 4 1 1 A 15 15 THR HA H 15 4.418 4.402 0.016 1
1 100 . 4 1 1 A 16 16 VAL H H 16 7.895 7.569 0.326 1
1 101 . 4 1 1 A 16 16 VAL HA H 16 4.136 4.605 -0.469 1
1 109 . 4 1 1 A 17 17 ASN H H 17 7.755 8.847 -1.092 1
1 110 . 4 1 1 A 17 17 ASN HA H 17 4.930 5.019 -0.089 1
1 115 . 4 1 1 A 18 18 PRO HA H 18 4.479 4.435 0.044 1
1 122 . 4 1 1 A 19 19 ILE H H 19 7.785 9.200 -1.415 1
1 123 . 4 1 1 A 19 19 ILE HA H 19 3.909 4.180 -0.271 1
1 130 . 4 1 1 A 20 20 ILE H H 20 7.680 7.503 0.177 1
1 131 . 4 1 1 A 20 20 ILE HA H 20 3.812 4.108 -0.296 1
1 138 . 4 1 1 A 21 21 TYR H H 21 8.159 7.177 0.982 1
1 139 . 4 1 1 A 21 21 TYR HA H 21 4.400 4.574 -0.174 1
1 146 . 4 1 1 A 22 22 ALA H H 22 8.204 8.881 -0.677 1
1 147 . 4 1 1 A 22 22 ALA HA H 22 3.809 4.439 -0.630 1
1 151 . 4 1 1 A 23 23 LEU H H 23 8.510 7.887 0.623 1
1 152 . 4 1 1 A 23 23 LEU HA H 23 4.108 4.447 -0.339 1
1 162 . 4 1 1 A 24 24 ARG H H 24 8.698 8.435 0.263 1
1 163 . 4 1 1 A 24 24 ARG HA H 24 4.098 4.161 -0.063 1
1 170 . 4 1 1 A 25 25 SER H H 25 8.136 8.250 -0.114 1
1 171 . 4 1 1 A 25 25 SER HA H 25 4.148 4.566 -0.418 1
1 174 . 4 1 1 A 26 26 LYS H H 26 7.916 8.139 -0.223 1
1 175 . 4 1 1 A 26 26 LYS HA H 26 4.099 4.027 0.072 1
1 184 . 4 1 1 A 27 27 ASP H H 27 8.263 8.246 0.017 1
1 185 . 4 1 1 A 27 27 ASP HA H 27 4.560 5.099 -0.539 1
1 188 . 4 1 1 A 28 28 LEU H H 28 8.328 8.357 -0.029 1
1 189 . 4 1 1 A 28 28 LEU HA H 28 4.191 3.883 0.308 1
1 199 . 4 1 1 A 29 29 ARG H H 29 8.122 8.044 0.078 1
1 200 . 4 1 1 A 29 29 ARG HA H 29 4.124 4.117 0.007 1
1 207 . 4 1 1 A 30 30 HIS H H 30 8.150 8.215 -0.065 1
1 208 . 4 1 1 A 30 30 HIS HA H 30 4.458 4.276 0.182 1
1 212 . 4 1 1 A 31 31 ALA H H 31 8.277 7.009 1.268 1
1 213 . 4 1 1 A 31 31 ALA HA H 31 4.142 3.705 0.437 1
1 217 . 4 1 1 A 32 32 PHE H H 32 8.417 8.717 -0.300 1
1 218 . 4 1 1 A 32 32 PHE HA H 32 4.489 4.179 0.310 1
1 223 . 4 1 1 A 33 33 ARG H H 33 8.077 8.515 -0.438 1
1 224 . 4 1 1 A 33 33 ARG HA H 33 4.219 3.946 0.273 1
1 229 . 4 1 1 A 34 34 SER H H 34 7.893 7.864 0.029 1
1 230 . 4 1 1 A 34 34 SER HA H 34 4.384 4.727 -0.343 1
1 233 . 4 1 1 A 35 35 MET H H 35 7.799 8.371 -0.572 1
1 234 . 4 1 1 A 35 35 MET HA H 35 4.309 4.629 -0.320 1
1 239 . 4 1 1 A 36 36 PHE H H 36 7.743 8.819 -1.076 1
1 240 . 4 1 1 A 36 36 PHE HA H 36 4.927 4.896 0.031 1
1 245 . 4 1 1 A 37 37 PRO HA H 37 4.517 4.366 0.151 1
1 252 . 4 1 1 A 38 38 SER H H 38 8.097 7.796 0.301 1
1 253 . 4 1 1 A 38 38 SER HA H 38 4.531 4.091 0.440 1
1 256 . 4 1 1 A 39 39 ALA H H 39 8.217 7.804 0.413 1
1 257 . 4 1 1 A 39 39 ALA HA H 39 4.265 4.282 -0.017 1
1 6 . 5 1 1 A 2 2 VAL H H 2 8.629 7.328 1.301 1
1 7 . 5 1 1 A 2 2 VAL HA H 2 4.148 3.428 0.720 1
1 15 . 5 1 1 A 3 3 PHE H H 3 7.868 7.042 0.826 1
1 16 . 5 1 1 A 3 3 PHE HA H 3 4.503 4.531 -0.028 1
1 21 . 5 1 1 A 4 4 ALA H H 4 7.937 8.926 -0.989 1
1 22 . 5 1 1 A 4 4 ALA HA H 4 4.160 4.183 -0.023 1
1 26 . 5 1 1 A 5 5 PHE H H 5 7.561 8.268 -0.707 1
1 27 . 5 1 1 A 5 5 PHE HA H 5 4.426 4.099 0.327 1
1 32 . 5 1 1 A 6 6 ALA H H 6 8.210 8.930 -0.720 1
1 33 . 5 1 1 A 6 6 ALA HA H 6 4.013 4.035 -0.022 1
1 37 . 5 1 1 A 7 7 SER H H 7 7.973 8.410 -0.437 1
1 38 . 5 1 1 A 7 7 SER HA H 7 4.158 4.144 0.014 1
1 41 . 5 1 1 A 8 8 MET H H 8 7.786 9.082 -1.296 1
1 42 . 5 1 1 A 8 8 MET HA H 8 4.276 4.157 0.119 1
1 47 . 5 1 1 A 9 9 LEU H H 9 8.056 8.715 -0.659 1
1 48 . 5 1 1 A 9 9 LEU HA H 9 4.015 3.912 0.103 1
1 58 . 5 1 1 A 10 10 CYS H H 10 8.043 8.831 -0.788 1
1 59 . 5 1 1 A 10 10 CYS HA H 10 4.004 4.011 -0.007 1
1 62 . 5 1 1 A 11 11 LEU H H 11 8.044 8.421 -0.377 1
1 63 . 5 1 1 A 11 11 LEU HA H 11 4.162 4.326 -0.164 1
1 73 . 5 1 1 A 12 12 LEU H H 12 8.618 9.253 -0.635 1
1 74 . 5 1 1 A 12 12 LEU HA H 12 4.129 4.076 0.053 1
1 84 . 5 1 1 A 13 13 ASN H H 13 8.246 8.140 0.106 1
1 85 . 5 1 1 A 13 13 ASN HA H 13 4.644 4.654 -0.010 1
1 90 . 5 1 1 A 14 14 SER H H 14 7.990 9.016 -1.026 1
1 91 . 5 1 1 A 14 14 SER HA H 14 4.496 4.177 0.319 1
1 94 . 5 1 1 A 15 15 THR H H 15 7.784 8.096 -0.312 1
1 95 . 5 1 1 A 15 15 THR HA H 15 4.418 4.045 0.373 1
1 100 . 5 1 1 A 16 16 VAL H H 16 7.895 7.190 0.705 1
1 101 . 5 1 1 A 16 16 VAL HA H 16 4.136 4.352 -0.216 1
1 109 . 5 1 1 A 17 17 ASN H H 17 7.755 8.297 -0.542 1
1 110 . 5 1 1 A 17 17 ASN HA H 17 4.930 5.043 -0.113 1
1 115 . 5 1 1 A 18 18 PRO HA H 18 4.479 4.416 0.063 1
1 122 . 5 1 1 A 19 19 ILE H H 19 7.785 8.114 -0.329 1
1 123 . 5 1 1 A 19 19 ILE HA H 19 3.909 4.210 -0.301 1
1 130 . 5 1 1 A 20 20 ILE H H 20 7.680 7.947 -0.267 1
1 131 . 5 1 1 A 20 20 ILE HA H 20 3.812 4.326 -0.514 1
1 138 . 5 1 1 A 21 21 TYR H H 21 8.159 7.922 0.237 1
1 139 . 5 1 1 A 21 21 TYR HA H 21 4.400 4.648 -0.248 1
1 146 . 5 1 1 A 22 22 ALA H H 22 8.204 8.100 0.104 1
1 147 . 5 1 1 A 22 22 ALA HA H 22 3.809 3.945 -0.136 1
1 151 . 5 1 1 A 23 23 LEU H H 23 8.510 8.098 0.412 1
1 152 . 5 1 1 A 23 23 LEU HA H 23 4.108 4.660 -0.552 1
1 162 . 5 1 1 A 24 24 ARG H H 24 8.698 8.512 0.186 1
1 163 . 5 1 1 A 24 24 ARG HA H 24 4.098 3.995 0.103 1
1 170 . 5 1 1 A 25 25 SER H H 25 8.136 7.936 0.200 1
1 171 . 5 1 1 A 25 25 SER HA H 25 4.148 4.604 -0.456 1
1 174 . 5 1 1 A 26 26 LYS H H 26 7.916 8.422 -0.506 1
1 175 . 5 1 1 A 26 26 LYS HA H 26 4.099 3.970 0.129 1
1 184 . 5 1 1 A 27 27 ASP H H 27 8.263 8.307 -0.044 1
1 185 . 5 1 1 A 27 27 ASP HA H 27 4.560 4.642 -0.082 1
1 188 . 5 1 1 A 28 28 LEU H H 28 8.328 7.871 0.457 1
1 189 . 5 1 1 A 28 28 LEU HA H 28 4.191 4.032 0.159 1
1 199 . 5 1 1 A 29 29 ARG H H 29 8.122 7.967 0.155 1
1 200 . 5 1 1 A 29 29 ARG HA H 29 4.124 3.994 0.130 1
1 207 . 5 1 1 A 30 30 HIS H H 30 8.150 8.695 -0.545 1
1 208 . 5 1 1 A 30 30 HIS HA H 30 4.458 4.404 0.054 1
1 212 . 5 1 1 A 31 31 ALA H H 31 8.277 6.715 1.562 1
1 213 . 5 1 1 A 31 31 ALA HA H 31 4.142 3.939 0.203 1
1 217 . 5 1 1 A 32 32 PHE H H 32 8.417 8.589 -0.172 1
1 218 . 5 1 1 A 32 32 PHE HA H 32 4.489 4.276 0.213 1
1 223 . 5 1 1 A 33 33 ARG H H 33 8.077 9.161 -1.084 1
1 224 . 5 1 1 A 33 33 ARG HA H 33 4.219 4.197 0.022 1
1 229 . 5 1 1 A 34 34 SER H H 34 7.893 8.841 -0.948 1
1 230 . 5 1 1 A 34 34 SER HA H 34 4.384 4.795 -0.411 1
1 233 . 5 1 1 A 35 35 MET H H 35 7.799 8.737 -0.938 1
1 234 . 5 1 1 A 35 35 MET HA H 35 4.309 4.628 -0.319 1
1 239 . 5 1 1 A 36 36 PHE H H 36 7.743 8.211 -0.468 1
1 240 . 5 1 1 A 36 36 PHE HA H 36 4.927 4.350 0.577 1
1 245 . 5 1 1 A 37 37 PRO HA H 37 4.517 4.561 -0.044 1
1 252 . 5 1 1 A 38 38 SER H H 38 8.097 8.157 -0.060 1
1 253 . 5 1 1 A 38 38 SER HA H 38 4.531 4.446 0.085 1
1 256 . 5 1 1 A 39 39 ALA H H 39 8.217 7.819 0.398 1
1 257 . 5 1 1 A 39 39 ALA HA H 39 4.265 4.146 0.119 1
1 6 . 6 1 1 A 2 2 VAL H H 2 8.629 7.952 0.677 1
1 7 . 6 1 1 A 2 2 VAL HA H 2 4.148 3.735 0.413 1
1 15 . 6 1 1 A 3 3 PHE H H 3 7.868 8.478 -0.610 1
1 16 . 6 1 1 A 3 3 PHE HA H 3 4.503 4.071 0.432 1
1 21 . 6 1 1 A 4 4 ALA H H 4 7.937 8.792 -0.855 1
1 22 . 6 1 1 A 4 4 ALA HA H 4 4.160 4.136 0.024 1
1 26 . 6 1 1 A 5 5 PHE H H 5 7.561 8.035 -0.474 1
1 27 . 6 1 1 A 5 5 PHE HA H 5 4.426 4.080 0.346 1
1 32 . 6 1 1 A 6 6 ALA H H 6 8.210 9.100 -0.890 1
1 33 . 6 1 1 A 6 6 ALA HA H 6 4.013 4.011 0.002 1
1 37 . 6 1 1 A 7 7 SER H H 7 7.973 8.416 -0.443 1
1 38 . 6 1 1 A 7 7 SER HA H 7 4.158 4.184 -0.026 1
1 41 . 6 1 1 A 8 8 MET H H 8 7.786 8.882 -1.096 1
1 42 . 6 1 1 A 8 8 MET HA H 8 4.276 4.228 0.048 1
1 47 . 6 1 1 A 9 9 LEU H H 9 8.056 9.213 -1.157 1
1 48 . 6 1 1 A 9 9 LEU HA H 9 4.015 4.045 -0.030 1
1 58 . 6 1 1 A 10 10 CYS H H 10 8.043 8.902 -0.859 1
1 59 . 6 1 1 A 10 10 CYS HA H 10 4.004 4.054 -0.050 1
1 62 . 6 1 1 A 11 11 LEU H H 11 8.044 7.920 0.124 1
1 63 . 6 1 1 A 11 11 LEU HA H 11 4.162 4.209 -0.047 1
1 73 . 6 1 1 A 12 12 LEU H H 12 8.618 8.902 -0.284 1
1 74 . 6 1 1 A 12 12 LEU HA H 12 4.129 3.974 0.155 1
1 84 . 6 1 1 A 13 13 ASN H H 13 8.246 8.652 -0.406 1
1 85 . 6 1 1 A 13 13 ASN HA H 13 4.644 4.900 -0.256 1
1 90 . 6 1 1 A 14 14 SER H H 14 7.990 8.026 -0.036 1
1 91 . 6 1 1 A 14 14 SER HA H 14 4.496 4.562 -0.066 1
1 94 . 6 1 1 A 15 15 THR H H 15 7.784 7.730 0.054 1
1 95 . 6 1 1 A 15 15 THR HA H 15 4.418 4.583 -0.165 1
1 100 . 6 1 1 A 16 16 VAL H H 16 7.895 8.021 -0.126 1
1 101 . 6 1 1 A 16 16 VAL HA H 16 4.136 4.359 -0.223 1
1 109 . 6 1 1 A 17 17 ASN H H 17 7.755 8.839 -1.084 1
1 110 . 6 1 1 A 17 17 ASN HA H 17 4.930 5.179 -0.249 1
1 115 . 6 1 1 A 18 18 PRO HA H 18 4.479 4.357 0.122 1
1 122 . 6 1 1 A 19 19 ILE H H 19 7.785 7.691 0.094 1
1 123 . 6 1 1 A 19 19 ILE HA H 19 3.909 3.776 0.133 1
1 130 . 6 1 1 A 20 20 ILE H H 20 7.680 7.175 0.505 1
1 131 . 6 1 1 A 20 20 ILE HA H 20 3.812 4.208 -0.396 1
1 138 . 6 1 1 A 21 21 TYR H H 21 8.159 6.802 1.357 1
1 139 . 6 1 1 A 21 21 TYR HA H 21 4.400 4.444 -0.044 1
1 146 . 6 1 1 A 22 22 ALA H H 22 8.204 7.279 0.925 1
1 147 . 6 1 1 A 22 22 ALA HA H 22 3.809 4.094 -0.285 1
1 151 . 6 1 1 A 23 23 LEU H H 23 8.510 7.984 0.526 1
1 152 . 6 1 1 A 23 23 LEU HA H 23 4.108 4.599 -0.491 1
1 162 . 6 1 1 A 24 24 ARG H H 24 8.698 8.209 0.489 1
1 163 . 6 1 1 A 24 24 ARG HA H 24 4.098 4.051 0.047 1
1 170 . 6 1 1 A 25 25 SER H H 25 8.136 8.089 0.047 1
1 171 . 6 1 1 A 25 25 SER HA H 25 4.148 4.711 -0.563 1
1 174 . 6 1 1 A 26 26 LYS H H 26 7.916 8.744 -0.828 1
1 175 . 6 1 1 A 26 26 LYS HA H 26 4.099 4.133 -0.034 1
1 184 . 6 1 1 A 27 27 ASP H H 27 8.263 8.211 0.052 1
1 185 . 6 1 1 A 27 27 ASP HA H 27 4.560 5.150 -0.590 1
1 188 . 6 1 1 A 28 28 LEU H H 28 8.328 8.316 0.012 1
1 189 . 6 1 1 A 28 28 LEU HA H 28 4.191 3.874 0.317 1
1 199 . 6 1 1 A 29 29 ARG H H 29 8.122 8.193 -0.071 1
1 200 . 6 1 1 A 29 29 ARG HA H 29 4.124 4.051 0.073 1
1 207 . 6 1 1 A 30 30 HIS H H 30 8.150 7.957 0.193 1
1 208 . 6 1 1 A 30 30 HIS HA H 30 4.458 4.298 0.160 1
1 212 . 6 1 1 A 31 31 ALA H H 31 8.277 7.032 1.245 1
1 213 . 6 1 1 A 31 31 ALA HA H 31 4.142 3.762 0.380 1
1 217 . 6 1 1 A 32 32 PHE H H 32 8.417 8.423 -0.006 1
1 218 . 6 1 1 A 32 32 PHE HA H 32 4.489 4.206 0.283 1
1 223 . 6 1 1 A 33 33 ARG H H 33 8.077 8.271 -0.194 1
1 224 . 6 1 1 A 33 33 ARG HA H 33 4.219 4.104 0.115 1
1 229 . 6 1 1 A 34 34 SER H H 34 7.893 8.269 -0.376 1
1 230 . 6 1 1 A 34 34 SER HA H 34 4.384 4.650 -0.266 1
1 233 . 6 1 1 A 35 35 MET H H 35 7.799 8.892 -1.093 1
1 234 . 6 1 1 A 35 35 MET HA H 35 4.309 4.625 -0.316 1
1 239 . 6 1 1 A 36 36 PHE H H 36 7.743 9.393 -1.650 1
1 240 . 6 1 1 A 36 36 PHE HA H 36 4.927 4.602 0.325 1
1 245 . 6 1 1 A 37 37 PRO HA H 37 4.517 4.371 0.146 1
1 252 . 6 1 1 A 38 38 SER H H 38 8.097 7.292 0.805 1
1 253 . 6 1 1 A 38 38 SER HA H 38 4.531 4.031 0.500 1
1 256 . 6 1 1 A 39 39 ALA H H 39 8.217 7.482 0.735 1
1 257 . 6 1 1 A 39 39 ALA HA H 39 4.265 4.397 -0.132 1
1 6 . 7 1 1 A 2 2 VAL H H 2 8.629 7.421 1.208 1
1 7 . 7 1 1 A 2 2 VAL HA H 2 4.148 3.479 0.669 1
1 15 . 7 1 1 A 3 3 PHE H H 3 7.868 6.895 0.973 1
1 16 . 7 1 1 A 3 3 PHE HA H 3 4.503 4.516 -0.013 1
1 21 . 7 1 1 A 4 4 ALA H H 4 7.937 9.026 -1.089 1
1 22 . 7 1 1 A 4 4 ALA HA H 4 4.160 4.151 0.009 1
1 26 . 7 1 1 A 5 5 PHE H H 5 7.561 7.992 -0.431 1
1 27 . 7 1 1 A 5 5 PHE HA H 5 4.426 4.079 0.347 1
1 32 . 7 1 1 A 6 6 ALA H H 6 8.210 8.991 -0.781 1
1 33 . 7 1 1 A 6 6 ALA HA H 6 4.013 3.975 0.038 1
1 37 . 7 1 1 A 7 7 SER H H 7 7.973 8.629 -0.656 1
1 38 . 7 1 1 A 7 7 SER HA H 7 4.158 4.165 -0.007 1
1 41 . 7 1 1 A 8 8 MET H H 8 7.786 8.773 -0.987 1
1 42 . 7 1 1 A 8 8 MET HA H 8 4.276 4.082 0.194 1
1 47 . 7 1 1 A 9 9 LEU H H 9 8.056 8.764 -0.708 1
1 48 . 7 1 1 A 9 9 LEU HA H 9 4.015 3.770 0.245 1
1 58 . 7 1 1 A 10 10 CYS H H 10 8.043 8.835 -0.792 1
1 59 . 7 1 1 A 10 10 CYS HA H 10 4.004 3.989 0.015 1
1 62 . 7 1 1 A 11 11 LEU H H 11 8.044 7.916 0.128 1
1 63 . 7 1 1 A 11 11 LEU HA H 11 4.162 4.112 0.050 1
1 73 . 7 1 1 A 12 12 LEU H H 12 8.618 8.892 -0.274 1
1 74 . 7 1 1 A 12 12 LEU HA H 12 4.129 3.990 0.139 1
1 84 . 7 1 1 A 13 13 ASN H H 13 8.246 8.601 -0.355 1
1 85 . 7 1 1 A 13 13 ASN HA H 13 4.644 4.519 0.125 1
1 90 . 7 1 1 A 14 14 SER H H 14 7.990 8.560 -0.570 1
1 91 . 7 1 1 A 14 14 SER HA H 14 4.496 4.173 0.323 1
1 94 . 7 1 1 A 15 15 THR H H 15 7.784 7.592 0.192 1
1 95 . 7 1 1 A 15 15 THR HA H 15 4.418 4.074 0.344 1
1 100 . 7 1 1 A 16 16 VAL H H 16 7.895 7.609 0.286 1
1 101 . 7 1 1 A 16 16 VAL HA H 16 4.136 4.513 -0.377 1
1 109 . 7 1 1 A 17 17 ASN H H 17 7.755 8.758 -1.003 1
1 110 . 7 1 1 A 17 17 ASN HA H 17 4.930 5.015 -0.085 1
1 115 . 7 1 1 A 18 18 PRO HA H 18 4.479 4.376 0.103 1
1 122 . 7 1 1 A 19 19 ILE H H 19 7.785 7.941 -0.156 1
1 123 . 7 1 1 A 19 19 ILE HA H 19 3.909 3.899 0.010 1
1 130 . 7 1 1 A 20 20 ILE H H 20 7.680 6.997 0.683 1
1 131 . 7 1 1 A 20 20 ILE HA H 20 3.812 4.272 -0.460 1
1 138 . 7 1 1 A 21 21 TYR H H 21 8.159 7.506 0.653 1
1 139 . 7 1 1 A 21 21 TYR HA H 21 4.400 4.436 -0.036 1
1 146 . 7 1 1 A 22 22 ALA H H 22 8.204 7.686 0.518 1
1 147 . 7 1 1 A 22 22 ALA HA H 22 3.809 3.918 -0.109 1
1 151 . 7 1 1 A 23 23 LEU H H 23 8.510 8.198 0.312 1
1 152 . 7 1 1 A 23 23 LEU HA H 23 4.108 4.500 -0.392 1
1 162 . 7 1 1 A 24 24 ARG H H 24 8.698 8.002 0.696 1
1 163 . 7 1 1 A 24 24 ARG HA H 24 4.098 4.131 -0.033 1
1 170 . 7 1 1 A 25 25 SER H H 25 8.136 8.450 -0.314 1
1 171 . 7 1 1 A 25 25 SER HA H 25 4.148 4.409 -0.261 1
1 174 . 7 1 1 A 26 26 LYS H H 26 7.916 7.856 0.060 1
1 175 . 7 1 1 A 26 26 LYS HA H 26 4.099 3.980 0.119 1
1 184 . 7 1 1 A 27 27 ASP H H 27 8.263 8.150 0.113 1
1 185 . 7 1 1 A 27 27 ASP HA H 27 4.560 4.755 -0.195 1
1 188 . 7 1 1 A 28 28 LEU H H 28 8.328 8.253 0.075 1
1 189 . 7 1 1 A 28 28 LEU HA H 28 4.191 3.897 0.294 1
1 199 . 7 1 1 A 29 29 ARG H H 29 8.122 8.313 -0.191 1
1 200 . 7 1 1 A 29 29 ARG HA H 29 4.124 4.100 0.024 1
1 207 . 7 1 1 A 30 30 HIS H H 30 8.150 7.761 0.389 1
1 208 . 7 1 1 A 30 30 HIS HA H 30 4.458 4.257 0.201 1
1 212 . 7 1 1 A 31 31 ALA H H 31 8.277 7.390 0.887 1
1 213 . 7 1 1 A 31 31 ALA HA H 31 4.142 3.936 0.206 1
1 217 . 7 1 1 A 32 32 PHE H H 32 8.417 8.634 -0.217 1
1 218 . 7 1 1 A 32 32 PHE HA H 32 4.489 4.271 0.218 1
1 223 . 7 1 1 A 33 33 ARG H H 33 8.077 8.266 -0.189 1
1 224 . 7 1 1 A 33 33 ARG HA H 33 4.219 3.964 0.255 1
1 229 . 7 1 1 A 34 34 SER H H 34 7.893 9.279 -1.386 1
1 230 . 7 1 1 A 34 34 SER HA H 34 4.384 4.656 -0.272 1
1 233 . 7 1 1 A 35 35 MET H H 35 7.799 9.010 -1.211 1
1 234 . 7 1 1 A 35 35 MET HA H 35 4.309 4.620 -0.311 1
1 239 . 7 1 1 A 36 36 PHE H H 36 7.743 7.898 -0.155 1
1 240 . 7 1 1 A 36 36 PHE HA H 36 4.927 4.475 0.452 1
1 245 . 7 1 1 A 37 37 PRO HA H 37 4.517 4.463 0.054 1
1 252 . 7 1 1 A 38 38 SER H H 38 8.097 7.536 0.561 1
1 253 . 7 1 1 A 38 38 SER HA H 38 4.531 4.310 0.221 1
1 256 . 7 1 1 A 39 39 ALA H H 39 8.217 7.931 0.286 1
1 257 . 7 1 1 A 39 39 ALA HA H 39 4.265 4.271 -0.006 1
1 6 . 8 1 1 A 2 2 VAL H H 2 8.629 7.305 1.324 1
1 7 . 8 1 1 A 2 2 VAL HA H 2 4.148 3.637 0.511 1
1 15 . 8 1 1 A 3 3 PHE H H 3 7.868 6.216 1.652 1
1 16 . 8 1 1 A 3 3 PHE HA H 3 4.503 4.246 0.257 1
1 21 . 8 1 1 A 4 4 ALA H H 4 7.937 8.152 -0.215 1
1 22 . 8 1 1 A 4 4 ALA HA H 4 4.160 4.018 0.142 1
1 26 . 8 1 1 A 5 5 PHE H H 5 7.561 8.666 -1.105 1
1 27 . 8 1 1 A 5 5 PHE HA H 5 4.426 4.021 0.405 1
1 32 . 8 1 1 A 6 6 ALA H H 6 8.210 8.961 -0.751 1
1 33 . 8 1 1 A 6 6 ALA HA H 6 4.013 4.167 -0.154 1
1 37 . 8 1 1 A 7 7 SER H H 7 7.973 8.233 -0.260 1
1 38 . 8 1 1 A 7 7 SER HA H 7 4.158 4.114 0.044 1
1 41 . 8 1 1 A 8 8 MET H H 8 7.786 8.860 -1.074 1
1 42 . 8 1 1 A 8 8 MET HA H 8 4.276 4.191 0.085 1
1 47 . 8 1 1 A 9 9 LEU H H 9 8.056 8.872 -0.816 1
1 48 . 8 1 1 A 9 9 LEU HA H 9 4.015 4.057 -0.042 1
1 58 . 8 1 1 A 10 10 CYS H H 10 8.043 8.768 -0.725 1
1 59 . 8 1 1 A 10 10 CYS HA H 10 4.004 4.051 -0.047 1
1 62 . 8 1 1 A 11 11 LEU H H 11 8.044 8.285 -0.241 1
1 63 . 8 1 1 A 11 11 LEU HA H 11 4.162 4.028 0.134 1
1 73 . 8 1 1 A 12 12 LEU H H 12 8.618 8.806 -0.188 1
1 74 . 8 1 1 A 12 12 LEU HA H 12 4.129 4.070 0.059 1
1 84 . 8 1 1 A 13 13 ASN H H 13 8.246 8.525 -0.279 1
1 85 . 8 1 1 A 13 13 ASN HA H 13 4.644 4.753 -0.109 1
1 90 . 8 1 1 A 14 14 SER H H 14 7.990 8.598 -0.608 1
1 91 . 8 1 1 A 14 14 SER HA H 14 4.496 4.406 0.090 1
1 94 . 8 1 1 A 15 15 THR H H 15 7.784 7.861 -0.077 1
1 95 . 8 1 1 A 15 15 THR HA H 15 4.418 4.603 -0.185 1
1 100 . 8 1 1 A 16 16 VAL H H 16 7.895 7.494 0.401 1
1 101 . 8 1 1 A 16 16 VAL HA H 16 4.136 4.408 -0.272 1
1 109 . 8 1 1 A 17 17 ASN H H 17 7.755 8.554 -0.799 1
1 110 . 8 1 1 A 17 17 ASN HA H 17 4.930 5.012 -0.082 1
1 115 . 8 1 1 A 18 18 PRO HA H 18 4.479 4.392 0.087 1
1 122 . 8 1 1 A 19 19 ILE H H 19 7.785 7.810 -0.025 1
1 123 . 8 1 1 A 19 19 ILE HA H 19 3.909 3.909 0.000 1
1 130 . 8 1 1 A 20 20 ILE H H 20 7.680 7.364 0.316 1
1 131 . 8 1 1 A 20 20 ILE HA H 20 3.812 4.134 -0.322 1
1 138 . 8 1 1 A 21 21 TYR H H 21 8.159 7.448 0.711 1
1 139 . 8 1 1 A 21 21 TYR HA H 21 4.400 4.350 0.050 1
1 146 . 8 1 1 A 22 22 ALA H H 22 8.204 8.016 0.188 1
1 147 . 8 1 1 A 22 22 ALA HA H 22 3.809 3.915 -0.106 1
1 151 . 8 1 1 A 23 23 LEU H H 23 8.510 8.843 -0.333 1
1 152 . 8 1 1 A 23 23 LEU HA H 23 4.108 4.582 -0.474 1
1 162 . 8 1 1 A 24 24 ARG H H 24 8.698 8.036 0.662 1
1 163 . 8 1 1 A 24 24 ARG HA H 24 4.098 4.097 0.001 1
1 170 . 8 1 1 A 25 25 SER H H 25 8.136 8.444 -0.308 1
1 171 . 8 1 1 A 25 25 SER HA H 25 4.148 4.344 -0.196 1
1 174 . 8 1 1 A 26 26 LYS H H 26 7.916 7.863 0.053 1
1 175 . 8 1 1 A 26 26 LYS HA H 26 4.099 3.969 0.130 1
1 184 . 8 1 1 A 27 27 ASP H H 27 8.263 8.194 0.069 1
1 185 . 8 1 1 A 27 27 ASP HA H 27 4.560 4.478 0.082 1
1 188 . 8 1 1 A 28 28 LEU H H 28 8.328 8.168 0.160 1
1 189 . 8 1 1 A 28 28 LEU HA H 28 4.191 3.819 0.372 1
1 199 . 8 1 1 A 29 29 ARG H H 29 8.122 8.634 -0.512 1
1 200 . 8 1 1 A 29 29 ARG HA H 29 4.124 4.038 0.086 1
1 207 . 8 1 1 A 30 30 HIS H H 30 8.150 7.801 0.349 1
1 208 . 8 1 1 A 30 30 HIS HA H 30 4.458 4.358 0.100 1
1 212 . 8 1 1 A 31 31 ALA H H 31 8.277 7.758 0.519 1
1 213 . 8 1 1 A 31 31 ALA HA H 31 4.142 4.081 0.061 1
1 217 . 8 1 1 A 32 32 PHE H H 32 8.417 8.000 0.417 1
1 218 . 8 1 1 A 32 32 PHE HA H 32 4.489 4.432 0.057 1
1 223 . 8 1 1 A 33 33 ARG H H 33 8.077 8.417 -0.340 1
1 224 . 8 1 1 A 33 33 ARG HA H 33 4.219 3.830 0.389 1
1 229 . 8 1 1 A 34 34 SER H H 34 7.893 7.814 0.079 1
1 230 . 8 1 1 A 34 34 SER HA H 34 4.384 4.710 -0.326 1
1 233 . 8 1 1 A 35 35 MET H H 35 7.799 7.921 -0.122 1
1 234 . 8 1 1 A 35 35 MET HA H 35 4.309 4.685 -0.376 1
1 239 . 8 1 1 A 36 36 PHE H H 36 7.743 9.510 -1.767 1
1 240 . 8 1 1 A 36 36 PHE HA H 36 4.927 4.580 0.347 1
1 245 . 8 1 1 A 37 37 PRO HA H 37 4.517 4.424 0.093 1
1 252 . 8 1 1 A 38 38 SER H H 38 8.097 7.632 0.465 1
1 253 . 8 1 1 A 38 38 SER HA H 38 4.531 4.525 0.006 1
1 256 . 8 1 1 A 39 39 ALA H H 39 8.217 7.823 0.394 1
1 257 . 8 1 1 A 39 39 ALA HA H 39 4.265 4.115 0.150 1
1 6 . 9 1 1 A 2 2 VAL H H 2 8.629 7.638 0.991 1
1 7 . 9 1 1 A 2 2 VAL HA H 2 4.148 3.684 0.464 1
1 15 . 9 1 1 A 3 3 PHE H H 3 7.868 8.405 -0.537 1
1 16 . 9 1 1 A 3 3 PHE HA H 3 4.503 4.362 0.141 1
1 21 . 9 1 1 A 4 4 ALA H H 4 7.937 7.295 0.642 1
1 22 . 9 1 1 A 4 4 ALA HA H 4 4.160 3.281 0.879 1
1 26 . 9 1 1 A 5 5 PHE H H 5 7.561 7.965 -0.404 1
1 27 . 9 1 1 A 5 5 PHE HA H 5 4.426 4.008 0.418 1
1 32 . 9 1 1 A 6 6 ALA H H 6 8.210 8.851 -0.641 1
1 33 . 9 1 1 A 6 6 ALA HA H 6 4.013 3.970 0.043 1
1 37 . 9 1 1 A 7 7 SER H H 7 7.973 8.210 -0.237 1
1 38 . 9 1 1 A 7 7 SER HA H 7 4.158 4.124 0.034 1
1 41 . 9 1 1 A 8 8 MET H H 8 7.786 8.617 -0.831 1
1 42 . 9 1 1 A 8 8 MET HA H 8 4.276 3.995 0.281 1
1 47 . 9 1 1 A 9 9 LEU H H 9 8.056 8.895 -0.839 1
1 48 . 9 1 1 A 9 9 LEU HA H 9 4.015 3.812 0.203 1
1 58 . 9 1 1 A 10 10 CYS H H 10 8.043 8.110 -0.067 1
1 59 . 9 1 1 A 10 10 CYS HA H 10 4.004 4.065 -0.061 1
1 62 . 9 1 1 A 11 11 LEU H H 11 8.044 8.398 -0.354 1
1 63 . 9 1 1 A 11 11 LEU HA H 11 4.162 3.969 0.193 1
1 73 . 9 1 1 A 12 12 LEU H H 12 8.618 8.810 -0.192 1
1 74 . 9 1 1 A 12 12 LEU HA H 12 4.129 3.853 0.276 1
1 84 . 9 1 1 A 13 13 ASN H H 13 8.246 8.350 -0.104 1
1 85 . 9 1 1 A 13 13 ASN HA H 13 4.644 4.538 0.106 1
1 90 . 9 1 1 A 14 14 SER H H 14 7.990 8.338 -0.348 1
1 91 . 9 1 1 A 14 14 SER HA H 14 4.496 4.457 0.039 1
1 94 . 9 1 1 A 15 15 THR H H 15 7.784 8.264 -0.480 1
1 95 . 9 1 1 A 15 15 THR HA H 15 4.418 4.699 -0.281 1
1 100 . 9 1 1 A 16 16 VAL H H 16 7.895 8.297 -0.402 1
1 101 . 9 1 1 A 16 16 VAL HA H 16 4.136 4.605 -0.469 1
1 109 . 9 1 1 A 17 17 ASN H H 17 7.755 8.796 -1.041 1
1 110 . 9 1 1 A 17 17 ASN HA H 17 4.930 5.124 -0.194 1
1 115 . 9 1 1 A 18 18 PRO HA H 18 4.479 4.414 0.065 1
1 122 . 9 1 1 A 19 19 ILE H H 19 7.785 8.910 -1.125 1
1 123 . 9 1 1 A 19 19 ILE HA H 19 3.909 4.153 -0.244 1
1 130 . 9 1 1 A 20 20 ILE H H 20 7.680 7.332 0.348 1
1 131 . 9 1 1 A 20 20 ILE HA H 20 3.812 4.091 -0.279 1
1 138 . 9 1 1 A 21 21 TYR H H 21 8.159 6.926 1.233 1
1 139 . 9 1 1 A 21 21 TYR HA H 21 4.400 4.943 -0.543 1
1 146 . 9 1 1 A 22 22 ALA H H 22 8.204 7.754 0.450 1
1 147 . 9 1 1 A 22 22 ALA HA H 22 3.809 4.242 -0.433 1
1 151 . 9 1 1 A 23 23 LEU H H 23 8.510 8.037 0.473 1
1 152 . 9 1 1 A 23 23 LEU HA H 23 4.108 4.513 -0.405 1
1 162 . 9 1 1 A 24 24 ARG H H 24 8.698 8.586 0.112 1
1 163 . 9 1 1 A 24 24 ARG HA H 24 4.098 4.013 0.085 1
1 170 . 9 1 1 A 25 25 SER H H 25 8.136 7.894 0.242 1
1 171 . 9 1 1 A 25 25 SER HA H 25 4.148 4.588 -0.440 1
1 174 . 9 1 1 A 26 26 LYS H H 26 7.916 8.225 -0.309 1
1 175 . 9 1 1 A 26 26 LYS HA H 26 4.099 4.015 0.084 1
1 184 . 9 1 1 A 27 27 ASP H H 27 8.263 8.296 -0.033 1
1 185 . 9 1 1 A 27 27 ASP HA H 27 4.560 4.677 -0.117 1
1 188 . 9 1 1 A 28 28 LEU H H 28 8.328 8.290 0.038 1
1 189 . 9 1 1 A 28 28 LEU HA H 28 4.191 4.186 0.005 1
1 199 . 9 1 1 A 29 29 ARG H H 29 8.122 7.823 0.299 1
1 200 . 9 1 1 A 29 29 ARG HA H 29 4.124 4.137 -0.013 1
1 207 . 9 1 1 A 30 30 HIS H H 30 8.150 7.720 0.430 1
1 208 . 9 1 1 A 30 30 HIS HA H 30 4.458 4.305 0.153 1
1 212 . 9 1 1 A 31 31 ALA H H 31 8.277 7.236 1.041 1
1 213 . 9 1 1 A 31 31 ALA HA H 31 4.142 3.905 0.237 1
1 217 . 9 1 1 A 32 32 PHE H H 32 8.417 8.019 0.398 1
1 218 . 9 1 1 A 32 32 PHE HA H 32 4.489 4.233 0.256 1
1 223 . 9 1 1 A 33 33 ARG H H 33 8.077 8.727 -0.650 1
1 224 . 9 1 1 A 33 33 ARG HA H 33 4.219 4.128 0.091 1
1 229 . 9 1 1 A 34 34 SER H H 34 7.893 8.475 -0.582 1
1 230 . 9 1 1 A 34 34 SER HA H 34 4.384 4.722 -0.338 1
1 233 . 9 1 1 A 35 35 MET H H 35 7.799 8.885 -1.086 1
1 234 . 9 1 1 A 35 35 MET HA H 35 4.309 4.532 -0.223 1
1 239 . 9 1 1 A 36 36 PHE H H 36 7.743 7.729 0.014 1
1 240 . 9 1 1 A 36 36 PHE HA H 36 4.927 4.572 0.355 1
1 245 . 9 1 1 A 37 37 PRO HA H 37 4.517 4.368 0.149 1
1 252 . 9 1 1 A 38 38 SER H H 38 8.097 7.730 0.367 1
1 253 . 9 1 1 A 38 38 SER HA H 38 4.531 4.269 0.262 1
1 256 . 9 1 1 A 39 39 ALA H H 39 8.217 7.596 0.621 1
1 257 . 9 1 1 A 39 39 ALA HA H 39 4.265 4.653 -0.388 1
1 6 . 10 1 1 A 2 2 VAL H H 2 8.629 7.569 1.060 1
1 7 . 10 1 1 A 2 2 VAL HA H 2 4.148 3.672 0.476 1
1 15 . 10 1 1 A 3 3 PHE H H 3 7.868 6.896 0.972 1
1 16 . 10 1 1 A 3 3 PHE HA H 3 4.503 4.313 0.190 1
1 21 . 10 1 1 A 4 4 ALA H H 4 7.937 8.216 -0.279 1
1 22 . 10 1 1 A 4 4 ALA HA H 4 4.160 4.079 0.081 1
1 26 . 10 1 1 A 5 5 PHE H H 5 7.561 8.312 -0.751 1
1 27 . 10 1 1 A 5 5 PHE HA H 5 4.426 4.141 0.285 1
1 32 . 10 1 1 A 6 6 ALA H H 6 8.210 9.181 -0.971 1
1 33 . 10 1 1 A 6 6 ALA HA H 6 4.013 3.885 0.128 1
1 37 . 10 1 1 A 7 7 SER H H 7 7.973 8.507 -0.534 1
1 38 . 10 1 1 A 7 7 SER HA H 7 4.158 4.133 0.025 1
1 41 . 10 1 1 A 8 8 MET H H 8 7.786 8.704 -0.918 1
1 42 . 10 1 1 A 8 8 MET HA H 8 4.276 4.064 0.212 1
1 47 . 10 1 1 A 9 9 LEU H H 9 8.056 9.062 -1.006 1
1 48 . 10 1 1 A 9 9 LEU HA H 9 4.015 3.742 0.273 1
1 58 . 10 1 1 A 10 10 CYS H H 10 8.043 8.805 -0.762 1
1 59 . 10 1 1 A 10 10 CYS HA H 10 4.004 4.265 -0.261 1
1 62 . 10 1 1 A 11 11 LEU H H 11 8.044 8.306 -0.262 1
1 63 . 10 1 1 A 11 11 LEU HA H 11 4.162 3.975 0.187 1
1 73 . 10 1 1 A 12 12 LEU H H 12 8.618 8.075 0.543 1
1 74 . 10 1 1 A 12 12 LEU HA H 12 4.129 3.873 0.256 1
1 84 . 10 1 1 A 13 13 ASN H H 13 8.246 8.210 0.036 1
1 85 . 10 1 1 A 13 13 ASN HA H 13 4.644 4.508 0.136 1
1 90 . 10 1 1 A 14 14 SER H H 14 7.990 8.415 -0.425 1
1 91 . 10 1 1 A 14 14 SER HA H 14 4.496 4.177 0.319 1
1 94 . 10 1 1 A 15 15 THR H H 15 7.784 7.540 0.244 1
1 95 . 10 1 1 A 15 15 THR HA H 15 4.418 4.199 0.219 1
1 100 . 10 1 1 A 16 16 VAL H H 16 7.895 7.136 0.759 1
1 101 . 10 1 1 A 16 16 VAL HA H 16 4.136 4.560 -0.424 1
1 109 . 10 1 1 A 17 17 ASN H H 17 7.755 8.895 -1.140 1
1 110 . 10 1 1 A 17 17 ASN HA H 17 4.930 5.149 -0.219 1
1 115 . 10 1 1 A 18 18 PRO HA H 18 4.479 4.329 0.150 1
1 122 . 10 1 1 A 19 19 ILE H H 19 7.785 7.486 0.299 1
1 123 . 10 1 1 A 19 19 ILE HA H 19 3.909 3.738 0.171 1
1 130 . 10 1 1 A 20 20 ILE H H 20 7.680 7.315 0.365 1
1 131 . 10 1 1 A 20 20 ILE HA H 20 3.812 4.082 -0.270 1
1 138 . 10 1 1 A 21 21 TYR H H 21 8.159 6.988 1.171 1
1 139 . 10 1 1 A 21 21 TYR HA H 21 4.400 4.406 -0.006 1
1 146 . 10 1 1 A 22 22 ALA H H 22 8.204 8.272 -0.068 1
1 147 . 10 1 1 A 22 22 ALA HA H 22 3.809 3.886 -0.077 1
1 151 . 10 1 1 A 23 23 LEU H H 23 8.510 8.920 -0.410 1
1 152 . 10 1 1 A 23 23 LEU HA H 23 4.108 4.428 -0.320 1
1 162 . 10 1 1 A 24 24 ARG H H 24 8.698 8.411 0.287 1
1 163 . 10 1 1 A 24 24 ARG HA H 24 4.098 4.173 -0.075 1
1 170 . 10 1 1 A 25 25 SER H H 25 8.136 7.808 0.328 1
1 171 . 10 1 1 A 25 25 SER HA H 25 4.148 4.561 -0.413 1
1 174 . 10 1 1 A 26 26 LYS H H 26 7.916 8.604 -0.688 1
1 175 . 10 1 1 A 26 26 LYS HA H 26 4.099 4.078 0.021 1
1 184 . 10 1 1 A 27 27 ASP H H 27 8.263 8.383 -0.120 1
1 185 . 10 1 1 A 27 27 ASP HA H 27 4.560 4.662 -0.102 1
1 188 . 10 1 1 A 28 28 LEU H H 28 8.328 8.183 0.145 1
1 189 . 10 1 1 A 28 28 LEU HA H 28 4.191 3.774 0.417 1
1 199 . 10 1 1 A 29 29 ARG H H 29 8.122 7.812 0.310 1
1 200 . 10 1 1 A 29 29 ARG HA H 29 4.124 4.042 0.082 1
1 207 . 10 1 1 A 30 30 HIS H H 30 8.150 8.009 0.141 1
1 208 . 10 1 1 A 30 30 HIS HA H 30 4.458 4.250 0.208 1
1 212 . 10 1 1 A 31 31 ALA H H 31 8.277 6.914 1.363 1
1 213 . 10 1 1 A 31 31 ALA HA H 31 4.142 3.893 0.249 1
1 217 . 10 1 1 A 32 32 PHE H H 32 8.417 8.616 -0.199 1
1 218 . 10 1 1 A 32 32 PHE HA H 32 4.489 4.070 0.419 1
1 223 . 10 1 1 A 33 33 ARG H H 33 8.077 8.336 -0.259 1
1 224 . 10 1 1 A 33 33 ARG HA H 33 4.219 4.005 0.214 1
1 229 . 10 1 1 A 34 34 SER H H 34 7.893 8.219 -0.326 1
1 230 . 10 1 1 A 34 34 SER HA H 34 4.384 4.670 -0.286 1
1 233 . 10 1 1 A 35 35 MET H H 35 7.799 9.126 -1.327 1
1 234 . 10 1 1 A 35 35 MET HA H 35 4.309 4.641 -0.332 1
1 239 . 10 1 1 A 36 36 PHE H H 36 7.743 8.489 -0.746 1
1 240 . 10 1 1 A 36 36 PHE HA H 36 4.927 4.680 0.247 1
1 245 . 10 1 1 A 37 37 PRO HA H 37 4.517 4.416 0.101 1
1 252 . 10 1 1 A 38 38 SER H H 38 8.097 7.749 0.348 1
1 253 . 10 1 1 A 38 38 SER HA H 38 4.531 4.174 0.357 1
1 256 . 10 1 1 A 39 39 ALA H H 39 8.217 7.595 0.622 1
1 257 . 10 1 1 A 39 39 ALA HA H 39 4.265 4.584 -0.319 1
1 6 . 11 1 1 A 2 2 VAL H H 2 8.629 7.779 0.850 1
1 7 . 11 1 1 A 2 2 VAL HA H 2 4.148 3.582 0.566 1
1 15 . 11 1 1 A 3 3 PHE H H 3 7.868 8.284 -0.416 1
1 16 . 11 1 1 A 3 3 PHE HA H 3 4.503 4.118 0.385 1
1 21 . 11 1 1 A 4 4 ALA H H 4 7.937 8.351 -0.414 1
1 22 . 11 1 1 A 4 4 ALA HA H 4 4.160 3.645 0.515 1
1 26 . 11 1 1 A 5 5 PHE H H 5 7.561 8.159 -0.598 1
1 27 . 11 1 1 A 5 5 PHE HA H 5 4.426 4.108 0.318 1
1 32 . 11 1 1 A 6 6 ALA H H 6 8.210 8.832 -0.622 1
1 33 . 11 1 1 A 6 6 ALA HA H 6 4.013 3.970 0.043 1
1 37 . 11 1 1 A 7 7 SER H H 7 7.973 7.928 0.045 1
1 38 . 11 1 1 A 7 7 SER HA H 7 4.158 3.981 0.177 1
1 41 . 11 1 1 A 8 8 MET H H 8 7.786 8.529 -0.743 1
1 42 . 11 1 1 A 8 8 MET HA H 8 4.276 3.909 0.367 1
1 47 . 11 1 1 A 9 9 LEU H H 9 8.056 8.802 -0.746 1
1 48 . 11 1 1 A 9 9 LEU HA H 9 4.015 3.787 0.228 1
1 58 . 11 1 1 A 10 10 CYS H H 10 8.043 7.848 0.195 1
1 59 . 11 1 1 A 10 10 CYS HA H 10 4.004 4.085 -0.081 1
1 62 . 11 1 1 A 11 11 LEU H H 11 8.044 8.246 -0.202 1
1 63 . 11 1 1 A 11 11 LEU HA H 11 4.162 3.882 0.280 1
1 73 . 11 1 1 A 12 12 LEU H H 12 8.618 8.922 -0.304 1
1 74 . 11 1 1 A 12 12 LEU HA H 12 4.129 3.903 0.226 1
1 84 . 11 1 1 A 13 13 ASN H H 13 8.246 8.407 -0.161 1
1 85 . 11 1 1 A 13 13 ASN HA H 13 4.644 4.392 0.252 1
1 90 . 11 1 1 A 14 14 SER H H 14 7.990 8.620 -0.630 1
1 91 . 11 1 1 A 14 14 SER HA H 14 4.496 4.232 0.264 1
1 94 . 11 1 1 A 15 15 THR H H 15 7.784 7.788 -0.004 1
1 95 . 11 1 1 A 15 15 THR HA H 15 4.418 4.280 0.138 1
1 100 . 11 1 1 A 16 16 VAL H H 16 7.895 7.738 0.157 1
1 101 . 11 1 1 A 16 16 VAL HA H 16 4.136 4.435 -0.299 1
1 109 . 11 1 1 A 17 17 ASN H H 17 7.755 8.792 -1.037 1
1 110 . 11 1 1 A 17 17 ASN HA H 17 4.930 5.063 -0.133 1
1 115 . 11 1 1 A 18 18 PRO HA H 18 4.479 4.401 0.078 1
1 122 . 11 1 1 A 19 19 ILE H H 19 7.785 8.283 -0.498 1
1 123 . 11 1 1 A 19 19 ILE HA H 19 3.909 3.776 0.133 1
1 130 . 11 1 1 A 20 20 ILE H H 20 7.680 7.616 0.064 1
1 131 . 11 1 1 A 20 20 ILE HA H 20 3.812 4.030 -0.218 1
1 138 . 11 1 1 A 21 21 TYR H H 21 8.159 7.585 0.574 1
1 139 . 11 1 1 A 21 21 TYR HA H 21 4.400 4.728 -0.328 1
1 146 . 11 1 1 A 22 22 ALA H H 22 8.204 8.402 -0.198 1
1 147 . 11 1 1 A 22 22 ALA HA H 22 3.809 4.036 -0.227 1
1 151 . 11 1 1 A 23 23 LEU H H 23 8.510 7.492 1.018 1
1 152 . 11 1 1 A 23 23 LEU HA H 23 4.108 4.524 -0.416 1
1 162 . 11 1 1 A 24 24 ARG H H 24 8.698 8.381 0.317 1
1 163 . 11 1 1 A 24 24 ARG HA H 24 4.098 4.235 -0.137 1
1 170 . 11 1 1 A 25 25 SER H H 25 8.136 9.092 -0.956 1
1 171 . 11 1 1 A 25 25 SER HA H 25 4.148 4.690 -0.542 1
1 174 . 11 1 1 A 26 26 LYS H H 26 7.916 8.149 -0.233 1
1 175 . 11 1 1 A 26 26 LYS HA H 26 4.099 3.932 0.167 1
1 184 . 11 1 1 A 27 27 ASP H H 27 8.263 8.488 -0.225 1
1 185 . 11 1 1 A 27 27 ASP HA H 27 4.560 4.430 0.130 1
1 188 . 11 1 1 A 28 28 LEU H H 28 8.328 8.154 0.174 1
1 189 . 11 1 1 A 28 28 LEU HA H 28 4.191 4.045 0.146 1
1 199 . 11 1 1 A 29 29 ARG H H 29 8.122 7.967 0.155 1
1 200 . 11 1 1 A 29 29 ARG HA H 29 4.124 3.912 0.212 1
1 207 . 11 1 1 A 30 30 HIS H H 30 8.150 8.151 -0.001 1
1 208 . 11 1 1 A 30 30 HIS HA H 30 4.458 4.279 0.179 1
1 212 . 11 1 1 A 31 31 ALA H H 31 8.277 6.497 1.780 1
1 213 . 11 1 1 A 31 31 ALA HA H 31 4.142 3.979 0.163 1
1 217 . 11 1 1 A 32 32 PHE H H 32 8.417 8.056 0.361 1
1 218 . 11 1 1 A 32 32 PHE HA H 32 4.489 4.250 0.239 1
1 223 . 11 1 1 A 33 33 ARG H H 33 8.077 8.983 -0.906 1
1 224 . 11 1 1 A 33 33 ARG HA H 33 4.219 4.370 -0.151 1
1 229 . 11 1 1 A 34 34 SER H H 34 7.893 9.332 -1.439 1
1 230 . 11 1 1 A 34 34 SER HA H 34 4.384 4.656 -0.272 1
1 233 . 11 1 1 A 35 35 MET H H 35 7.799 8.973 -1.174 1
1 234 . 11 1 1 A 35 35 MET HA H 35 4.309 4.526 -0.217 1
1 239 . 11 1 1 A 36 36 PHE H H 36 7.743 7.611 0.132 1
1 240 . 11 1 1 A 36 36 PHE HA H 36 4.927 4.534 0.393 1
1 245 . 11 1 1 A 37 37 PRO HA H 37 4.517 4.298 0.219 1
1 252 . 11 1 1 A 38 38 SER H H 38 8.097 7.761 0.336 1
1 253 . 11 1 1 A 38 38 SER HA H 38 4.531 4.367 0.164 1
1 256 . 11 1 1 A 39 39 ALA H H 39 8.217 7.553 0.664 1
1 257 . 11 1 1 A 39 39 ALA HA H 39 4.265 4.631 -0.366 1
1 6 . 12 1 1 A 2 2 VAL H H 2 8.629 7.337 1.292 1
1 7 . 12 1 1 A 2 2 VAL HA H 2 4.148 3.674 0.474 1
1 15 . 12 1 1 A 3 3 PHE H H 3 7.868 7.007 0.861 1
1 16 . 12 1 1 A 3 3 PHE HA H 3 4.503 4.467 0.036 1
1 21 . 12 1 1 A 4 4 ALA H H 4 7.937 8.923 -0.986 1
1 22 . 12 1 1 A 4 4 ALA HA H 4 4.160 4.119 0.041 1
1 26 . 12 1 1 A 5 5 PHE H H 5 7.561 8.099 -0.538 1
1 27 . 12 1 1 A 5 5 PHE HA H 5 4.426 4.044 0.382 1
1 32 . 12 1 1 A 6 6 ALA H H 6 8.210 8.933 -0.723 1
1 33 . 12 1 1 A 6 6 ALA HA H 6 4.013 3.987 0.026 1
1 37 . 12 1 1 A 7 7 SER H H 7 7.973 8.420 -0.447 1
1 38 . 12 1 1 A 7 7 SER HA H 7 4.158 4.167 -0.009 1
1 41 . 12 1 1 A 8 8 MET H H 8 7.786 8.833 -1.047 1
1 42 . 12 1 1 A 8 8 MET HA H 8 4.276 4.002 0.274 1
1 47 . 12 1 1 A 9 9 LEU H H 9 8.056 8.877 -0.821 1
1 48 . 12 1 1 A 9 9 LEU HA H 9 4.015 3.805 0.210 1
1 58 . 12 1 1 A 10 10 CYS H H 10 8.043 8.737 -0.694 1
1 59 . 12 1 1 A 10 10 CYS HA H 10 4.004 3.974 0.030 1
1 62 . 12 1 1 A 11 11 LEU H H 11 8.044 8.377 -0.333 1
1 63 . 12 1 1 A 11 11 LEU HA H 11 4.162 3.990 0.172 1
1 73 . 12 1 1 A 12 12 LEU H H 12 8.618 8.602 0.016 1
1 74 . 12 1 1 A 12 12 LEU HA H 12 4.129 3.916 0.213 1
1 84 . 12 1 1 A 13 13 ASN H H 13 8.246 8.592 -0.346 1
1 85 . 12 1 1 A 13 13 ASN HA H 13 4.644 4.511 0.133 1
1 90 . 12 1 1 A 14 14 SER H H 14 7.990 8.060 -0.070 1
1 91 . 12 1 1 A 14 14 SER HA H 14 4.496 4.219 0.277 1
1 94 . 12 1 1 A 15 15 THR H H 15 7.784 7.840 -0.056 1
1 95 . 12 1 1 A 15 15 THR HA H 15 4.418 4.085 0.333 1
1 100 . 12 1 1 A 16 16 VAL H H 16 7.895 7.630 0.265 1
1 101 . 12 1 1 A 16 16 VAL HA H 16 4.136 4.554 -0.418 1
1 109 . 12 1 1 A 17 17 ASN H H 17 7.755 8.817 -1.062 1
1 110 . 12 1 1 A 17 17 ASN HA H 17 4.930 5.125 -0.195 1
1 115 . 12 1 1 A 18 18 PRO HA H 18 4.479 4.500 -0.021 1
1 122 . 12 1 1 A 19 19 ILE H H 19 7.785 9.130 -1.345 1
1 123 . 12 1 1 A 19 19 ILE HA H 19 3.909 4.324 -0.415 1
1 130 . 12 1 1 A 20 20 ILE H H 20 7.680 7.814 -0.134 1
1 131 . 12 1 1 A 20 20 ILE HA H 20 3.812 3.739 0.073 1
1 138 . 12 1 1 A 21 21 TYR H H 21 8.159 7.020 1.139 1
1 139 . 12 1 1 A 21 21 TYR HA H 21 4.400 4.698 -0.298 1
1 146 . 12 1 1 A 22 22 ALA H H 22 8.204 8.606 -0.402 1
1 147 . 12 1 1 A 22 22 ALA HA H 22 3.809 4.665 -0.856 1
1 151 . 12 1 1 A 23 23 LEU H H 23 8.510 9.095 -0.585 1
1 152 . 12 1 1 A 23 23 LEU HA H 23 4.108 3.915 0.193 1
1 162 . 12 1 1 A 24 24 ARG H H 24 8.698 9.689 -0.991 1
1 163 . 12 1 1 A 24 24 ARG HA H 24 4.098 4.155 -0.057 1
1 170 . 12 1 1 A 25 25 SER H H 25 8.136 7.954 0.182 1
1 171 . 12 1 1 A 25 25 SER HA H 25 4.148 4.549 -0.401 1
1 174 . 12 1 1 A 26 26 LYS H H 26 7.916 8.292 -0.376 1
1 175 . 12 1 1 A 26 26 LYS HA H 26 4.099 4.078 0.021 1
1 184 . 12 1 1 A 27 27 ASP H H 27 8.263 8.350 -0.087 1
1 185 . 12 1 1 A 27 27 ASP HA H 27 4.560 4.809 -0.249 1
1 188 . 12 1 1 A 28 28 LEU H H 28 8.328 8.009 0.319 1
1 189 . 12 1 1 A 28 28 LEU HA H 28 4.191 4.217 -0.026 1
1 199 . 12 1 1 A 29 29 ARG H H 29 8.122 8.548 -0.426 1
1 200 . 12 1 1 A 29 29 ARG HA H 29 4.124 4.053 0.071 1
1 207 . 12 1 1 A 30 30 HIS H H 30 8.150 7.755 0.395 1
1 208 . 12 1 1 A 30 30 HIS HA H 30 4.458 4.249 0.209 1
1 212 . 12 1 1 A 31 31 ALA H H 31 8.277 6.740 1.537 1
1 213 . 12 1 1 A 31 31 ALA HA H 31 4.142 3.882 0.260 1
1 217 . 12 1 1 A 32 32 PHE H H 32 8.417 8.371 0.046 1
1 218 . 12 1 1 A 32 32 PHE HA H 32 4.489 4.140 0.349 1
1 223 . 12 1 1 A 33 33 ARG H H 33 8.077 8.340 -0.263 1
1 224 . 12 1 1 A 33 33 ARG HA H 33 4.219 3.945 0.274 1
1 229 . 12 1 1 A 34 34 SER H H 34 7.893 8.285 -0.392 1
1 230 . 12 1 1 A 34 34 SER HA H 34 4.384 4.762 -0.378 1
1 233 . 12 1 1 A 35 35 MET H H 35 7.799 8.483 -0.684 1
1 234 . 12 1 1 A 35 35 MET HA H 35 4.309 4.650 -0.341 1
1 239 . 12 1 1 A 36 36 PHE H H 36 7.743 8.010 -0.267 1
1 240 . 12 1 1 A 36 36 PHE HA H 36 4.927 4.841 0.086 1
1 245 . 12 1 1 A 37 37 PRO HA H 37 4.517 4.440 0.077 1
1 252 . 12 1 1 A 38 38 SER H H 38 8.097 8.138 -0.041 1
1 253 . 12 1 1 A 38 38 SER HA H 38 4.531 4.350 0.181 1
1 256 . 12 1 1 A 39 39 ALA H H 39 8.217 9.175 -0.958 1
1 257 . 12 1 1 A 39 39 ALA HA H 39 4.265 4.021 0.244 1
1 6 . 13 1 1 A 2 2 VAL H H 2 8.629 8.748 -0.119 1
1 7 . 13 1 1 A 2 2 VAL HA H 2 4.148 3.735 0.413 1
1 15 . 13 1 1 A 3 3 PHE H H 3 7.868 8.368 -0.500 1
1 16 . 13 1 1 A 3 3 PHE HA H 3 4.503 4.175 0.328 1
1 21 . 13 1 1 A 4 4 ALA H H 4 7.937 8.270 -0.333 1
1 22 . 13 1 1 A 4 4 ALA HA H 4 4.160 3.875 0.285 1
1 26 . 13 1 1 A 5 5 PHE H H 5 7.561 8.052 -0.491 1
1 27 . 13 1 1 A 5 5 PHE HA H 5 4.426 4.086 0.340 1
1 32 . 13 1 1 A 6 6 ALA H H 6 8.210 8.814 -0.604 1
1 33 . 13 1 1 A 6 6 ALA HA H 6 4.013 3.917 0.096 1
1 37 . 13 1 1 A 7 7 SER H H 7 7.973 8.253 -0.280 1
1 38 . 13 1 1 A 7 7 SER HA H 7 4.158 3.850 0.308 1
1 41 . 13 1 1 A 8 8 MET H H 8 7.786 8.575 -0.789 1
1 42 . 13 1 1 A 8 8 MET HA H 8 4.276 4.034 0.242 1
1 47 . 13 1 1 A 9 9 LEU H H 9 8.056 8.888 -0.832 1
1 48 . 13 1 1 A 9 9 LEU HA H 9 4.015 3.803 0.212 1
1 58 . 13 1 1 A 10 10 CYS H H 10 8.043 8.806 -0.763 1
1 59 . 13 1 1 A 10 10 CYS HA H 10 4.004 4.028 -0.024 1
1 62 . 13 1 1 A 11 11 LEU H H 11 8.044 8.436 -0.392 1
1 63 . 13 1 1 A 11 11 LEU HA H 11 4.162 3.916 0.246 1
1 73 . 13 1 1 A 12 12 LEU H H 12 8.618 8.830 -0.212 1
1 74 . 13 1 1 A 12 12 LEU HA H 12 4.129 4.079 0.050 1
1 84 . 13 1 1 A 13 13 ASN H H 13 8.246 8.823 -0.577 1
1 85 . 13 1 1 A 13 13 ASN HA H 13 4.644 4.419 0.225 1
1 90 . 13 1 1 A 14 14 SER H H 14 7.990 8.334 -0.344 1
1 91 . 13 1 1 A 14 14 SER HA H 14 4.496 4.573 -0.077 1
1 94 . 13 1 1 A 15 15 THR H H 15 7.784 7.549 0.235 1
1 95 . 13 1 1 A 15 15 THR HA H 15 4.418 4.513 -0.095 1
1 100 . 13 1 1 A 16 16 VAL H H 16 7.895 7.771 0.124 1
1 101 . 13 1 1 A 16 16 VAL HA H 16 4.136 4.063 0.073 1
1 109 . 13 1 1 A 17 17 ASN H H 17 7.755 8.618 -0.863 1
1 110 . 13 1 1 A 17 17 ASN HA H 17 4.930 5.046 -0.116 1
1 115 . 13 1 1 A 18 18 PRO HA H 18 4.479 4.426 0.053 1
1 122 . 13 1 1 A 19 19 ILE H H 19 7.785 7.637 0.148 1
1 123 . 13 1 1 A 19 19 ILE HA H 19 3.909 4.566 -0.657 1
1 130 . 13 1 1 A 20 20 ILE H H 20 7.680 8.613 -0.933 1
1 131 . 13 1 1 A 20 20 ILE HA H 20 3.812 4.174 -0.362 1
1 138 . 13 1 1 A 21 21 TYR H H 21 8.159 8.284 -0.125 1
1 139 . 13 1 1 A 21 21 TYR HA H 21 4.400 4.707 -0.307 1
1 146 . 13 1 1 A 22 22 ALA H H 22 8.204 8.755 -0.551 1
1 147 . 13 1 1 A 22 22 ALA HA H 22 3.809 3.982 -0.173 1
1 151 . 13 1 1 A 23 23 LEU H H 23 8.510 7.685 0.825 1
1 152 . 13 1 1 A 23 23 LEU HA H 23 4.108 4.529 -0.421 1
1 162 . 13 1 1 A 24 24 ARG H H 24 8.698 8.229 0.469 1
1 163 . 13 1 1 A 24 24 ARG HA H 24 4.098 4.054 0.044 1
1 170 . 13 1 1 A 25 25 SER H H 25 8.136 8.245 -0.109 1
1 171 . 13 1 1 A 25 25 SER HA H 25 4.148 4.598 -0.450 1
1 174 . 13 1 1 A 26 26 LYS H H 26 7.916 9.508 -1.592 1
1 175 . 13 1 1 A 26 26 LYS HA H 26 4.099 4.059 0.040 1
1 184 . 13 1 1 A 27 27 ASP H H 27 8.263 8.284 -0.021 1
1 185 . 13 1 1 A 27 27 ASP HA H 27 4.560 4.661 -0.101 1
1 188 . 13 1 1 A 28 28 LEU H H 28 8.328 7.606 0.722 1
1 189 . 13 1 1 A 28 28 LEU HA H 28 4.191 4.054 0.137 1
1 199 . 13 1 1 A 29 29 ARG H H 29 8.122 8.702 -0.580 1
1 200 . 13 1 1 A 29 29 ARG HA H 29 4.124 4.063 0.061 1
1 207 . 13 1 1 A 30 30 HIS H H 30 8.150 8.841 -0.691 1
1 208 . 13 1 1 A 30 30 HIS HA H 30 4.458 4.572 -0.114 1
1 212 . 13 1 1 A 31 31 ALA H H 31 8.277 6.827 1.450 1
1 213 . 13 1 1 A 31 31 ALA HA H 31 4.142 4.126 0.016 1
1 217 . 13 1 1 A 32 32 PHE H H 32 8.417 8.711 -0.294 1
1 218 . 13 1 1 A 32 32 PHE HA H 32 4.489 4.766 -0.277 1
1 223 . 13 1 1 A 33 33 ARG H H 33 8.077 9.713 -1.636 1
1 224 . 13 1 1 A 33 33 ARG HA H 33 4.219 4.216 0.003 1
1 229 . 13 1 1 A 34 34 SER H H 34 7.893 8.011 -0.118 1
1 230 . 13 1 1 A 34 34 SER HA H 34 4.384 4.867 -0.483 1
1 233 . 13 1 1 A 35 35 MET H H 35 7.799 8.158 -0.359 1
1 234 . 13 1 1 A 35 35 MET HA H 35 4.309 4.604 -0.295 1
1 239 . 13 1 1 A 36 36 PHE H H 36 7.743 8.780 -1.037 1
1 240 . 13 1 1 A 36 36 PHE HA H 36 4.927 4.535 0.392 1
1 245 . 13 1 1 A 37 37 PRO HA H 37 4.517 4.256 0.261 1
1 252 . 13 1 1 A 38 38 SER H H 38 8.097 7.641 0.456 1
1 253 . 13 1 1 A 38 38 SER HA H 38 4.531 4.514 0.017 1
1 256 . 13 1 1 A 39 39 ALA H H 39 8.217 7.871 0.346 1
1 257 . 13 1 1 A 39 39 ALA HA H 39 4.265 4.584 -0.319 1
1 6 . 14 1 1 A 2 2 VAL H H 2 8.629 7.481 1.148 1
1 7 . 14 1 1 A 2 2 VAL HA H 2 4.148 3.470 0.678 1
1 15 . 14 1 1 A 3 3 PHE H H 3 7.868 7.007 0.861 1
1 16 . 14 1 1 A 3 3 PHE HA H 3 4.503 4.329 0.174 1
1 21 . 14 1 1 A 4 4 ALA H H 4 7.937 8.379 -0.442 1
1 22 . 14 1 1 A 4 4 ALA HA H 4 4.160 4.070 0.090 1
1 26 . 14 1 1 A 5 5 PHE H H 5 7.561 8.576 -1.015 1
1 27 . 14 1 1 A 5 5 PHE HA H 5 4.426 4.060 0.366 1
1 32 . 14 1 1 A 6 6 ALA H H 6 8.210 8.917 -0.707 1
1 33 . 14 1 1 A 6 6 ALA HA H 6 4.013 4.008 0.005 1
1 37 . 14 1 1 A 7 7 SER H H 7 7.973 8.034 -0.061 1
1 38 . 14 1 1 A 7 7 SER HA H 7 4.158 4.169 -0.011 1
1 41 . 14 1 1 A 8 8 MET H H 8 7.786 8.774 -0.988 1
1 42 . 14 1 1 A 8 8 MET HA H 8 4.276 4.024 0.252 1
1 47 . 14 1 1 A 9 9 LEU H H 9 8.056 8.748 -0.692 1
1 48 . 14 1 1 A 9 9 LEU HA H 9 4.015 3.724 0.291 1
1 58 . 14 1 1 A 10 10 CYS H H 10 8.043 8.143 -0.100 1
1 59 . 14 1 1 A 10 10 CYS HA H 10 4.004 3.972 0.032 1
1 62 . 14 1 1 A 11 11 LEU H H 11 8.044 7.690 0.354 1
1 63 . 14 1 1 A 11 11 LEU HA H 11 4.162 4.169 -0.007 1
1 73 . 14 1 1 A 12 12 LEU H H 12 8.618 8.682 -0.064 1
1 74 . 14 1 1 A 12 12 LEU HA H 12 4.129 3.940 0.189 1
1 84 . 14 1 1 A 13 13 ASN H H 13 8.246 8.554 -0.308 1
1 85 . 14 1 1 A 13 13 ASN HA H 13 4.644 4.657 -0.013 1
1 90 . 14 1 1 A 14 14 SER H H 14 7.990 7.842 0.148 1
1 91 . 14 1 1 A 14 14 SER HA H 14 4.496 4.180 0.316 1
1 94 . 14 1 1 A 15 15 THR H H 15 7.784 8.299 -0.515 1
1 95 . 14 1 1 A 15 15 THR HA H 15 4.418 4.051 0.367 1
1 100 . 14 1 1 A 16 16 VAL H H 16 7.895 7.417 0.478 1
1 101 . 14 1 1 A 16 16 VAL HA H 16 4.136 4.589 -0.453 1
1 109 . 14 1 1 A 17 17 ASN H H 17 7.755 8.956 -1.201 1
1 110 . 14 1 1 A 17 17 ASN HA H 17 4.930 5.180 -0.250 1
1 115 . 14 1 1 A 18 18 PRO HA H 18 4.479 4.375 0.104 1
1 122 . 14 1 1 A 19 19 ILE H H 19 7.785 7.739 0.046 1
1 123 . 14 1 1 A 19 19 ILE HA H 19 3.909 3.867 0.042 1
1 130 . 14 1 1 A 20 20 ILE H H 20 7.680 7.418 0.262 1
1 131 . 14 1 1 A 20 20 ILE HA H 20 3.812 4.064 -0.252 1
1 138 . 14 1 1 A 21 21 TYR H H 21 8.159 7.083 1.076 1
1 139 . 14 1 1 A 21 21 TYR HA H 21 4.400 4.389 0.011 1
1 146 . 14 1 1 A 22 22 ALA H H 22 8.204 7.774 0.430 1
1 147 . 14 1 1 A 22 22 ALA HA H 22 3.809 3.912 -0.103 1
1 151 . 14 1 1 A 23 23 LEU H H 23 8.510 8.274 0.236 1
1 152 . 14 1 1 A 23 23 LEU HA H 23 4.108 4.523 -0.415 1
1 162 . 14 1 1 A 24 24 ARG H H 24 8.698 8.386 0.312 1
1 163 . 14 1 1 A 24 24 ARG HA H 24 4.098 4.152 -0.054 1
1 170 . 14 1 1 A 25 25 SER H H 25 8.136 8.403 -0.267 1
1 171 . 14 1 1 A 25 25 SER HA H 25 4.148 4.491 -0.343 1
1 174 . 14 1 1 A 26 26 LYS H H 26 7.916 8.047 -0.131 1
1 175 . 14 1 1 A 26 26 LYS HA H 26 4.099 4.024 0.075 1
1 184 . 14 1 1 A 27 27 ASP H H 27 8.263 8.281 -0.018 1
1 185 . 14 1 1 A 27 27 ASP HA H 27 4.560 4.590 -0.030 1
1 188 . 14 1 1 A 28 28 LEU H H 28 8.328 8.193 0.135 1
1 189 . 14 1 1 A 28 28 LEU HA H 28 4.191 3.858 0.333 1
1 199 . 14 1 1 A 29 29 ARG H H 29 8.122 8.501 -0.379 1
1 200 . 14 1 1 A 29 29 ARG HA H 29 4.124 4.029 0.095 1
1 207 . 14 1 1 A 30 30 HIS H H 30 8.150 7.965 0.185 1
1 208 . 14 1 1 A 30 30 HIS HA H 30 4.458 4.286 0.172 1
1 212 . 14 1 1 A 31 31 ALA H H 31 8.277 7.524 0.753 1
1 213 . 14 1 1 A 31 31 ALA HA H 31 4.142 3.963 0.179 1
1 217 . 14 1 1 A 32 32 PHE H H 32 8.417 8.490 -0.073 1
1 218 . 14 1 1 A 32 32 PHE HA H 32 4.489 4.253 0.236 1
1 223 . 14 1 1 A 33 33 ARG H H 33 8.077 8.422 -0.345 1
1 224 . 14 1 1 A 33 33 ARG HA H 33 4.219 4.224 -0.005 1
1 229 . 14 1 1 A 34 34 SER H H 34 7.893 9.282 -1.389 1
1 230 . 14 1 1 A 34 34 SER HA H 34 4.384 4.709 -0.325 1
1 233 . 14 1 1 A 35 35 MET H H 35 7.799 9.258 -1.459 1
1 234 . 14 1 1 A 35 35 MET HA H 35 4.309 4.629 -0.320 1
1 239 . 14 1 1 A 36 36 PHE H H 36 7.743 8.538 -0.795 1
1 240 . 14 1 1 A 36 36 PHE HA H 36 4.927 4.634 0.293 1
1 245 . 14 1 1 A 37 37 PRO HA H 37 4.517 4.509 0.008 1
1 252 . 14 1 1 A 38 38 SER H H 38 8.097 6.953 1.144 1
1 253 . 14 1 1 A 38 38 SER HA H 38 4.531 3.581 0.950 1
1 256 . 14 1 1 A 39 39 ALA H H 39 8.217 7.194 1.023 1
1 257 . 14 1 1 A 39 39 ALA HA H 39 4.265 4.096 0.169 1
1 6 . 15 1 1 A 2 2 VAL H H 2 8.629 8.024 0.605 1
1 7 . 15 1 1 A 2 2 VAL HA H 2 4.148 3.866 0.282 1
1 15 . 15 1 1 A 3 3 PHE H H 3 7.868 8.297 -0.429 1
1 16 . 15 1 1 A 3 3 PHE HA H 3 4.503 4.093 0.410 1
1 21 . 15 1 1 A 4 4 ALA H H 4 7.937 8.347 -0.410 1
1 22 . 15 1 1 A 4 4 ALA HA H 4 4.160 3.990 0.170 1
1 26 . 15 1 1 A 5 5 PHE H H 5 7.561 8.818 -1.257 1
1 27 . 15 1 1 A 5 5 PHE HA H 5 4.426 4.033 0.393 1
1 32 . 15 1 1 A 6 6 ALA H H 6 8.210 8.965 -0.755 1
1 33 . 15 1 1 A 6 6 ALA HA H 6 4.013 4.016 -0.003 1
1 37 . 15 1 1 A 7 7 SER H H 7 7.973 8.377 -0.404 1
1 38 . 15 1 1 A 7 7 SER HA H 7 4.158 4.004 0.154 1
1 41 . 15 1 1 A 8 8 MET H H 8 7.786 8.756 -0.970 1
1 42 . 15 1 1 A 8 8 MET HA H 8 4.276 4.016 0.260 1
1 47 . 15 1 1 A 9 9 LEU H H 9 8.056 8.671 -0.615 1
1 48 . 15 1 1 A 9 9 LEU HA H 9 4.015 3.702 0.313 1
1 58 . 15 1 1 A 10 10 CYS H H 10 8.043 8.736 -0.693 1
1 59 . 15 1 1 A 10 10 CYS HA H 10 4.004 3.997 0.007 1
1 62 . 15 1 1 A 11 11 LEU H H 11 8.044 8.154 -0.110 1
1 63 . 15 1 1 A 11 11 LEU HA H 11 4.162 4.123 0.039 1
1 73 . 15 1 1 A 12 12 LEU H H 12 8.618 8.255 0.363 1
1 74 . 15 1 1 A 12 12 LEU HA H 12 4.129 3.879 0.250 1
1 84 . 15 1 1 A 13 13 ASN H H 13 8.246 8.544 -0.298 1
1 85 . 15 1 1 A 13 13 ASN HA H 13 4.644 4.429 0.215 1
1 90 . 15 1 1 A 14 14 SER H H 14 7.990 7.735 0.255 1
1 91 . 15 1 1 A 14 14 SER HA H 14 4.496 4.292 0.204 1
1 94 . 15 1 1 A 15 15 THR H H 15 7.784 7.771 0.013 1
1 95 . 15 1 1 A 15 15 THR HA H 15 4.418 4.593 -0.175 1
1 100 . 15 1 1 A 16 16 VAL H H 16 7.895 7.955 -0.060 1
1 101 . 15 1 1 A 16 16 VAL HA H 16 4.136 4.545 -0.409 1
1 109 . 15 1 1 A 17 17 ASN H H 17 7.755 8.567 -0.812 1
1 110 . 15 1 1 A 17 17 ASN HA H 17 4.930 5.164 -0.234 1
1 115 . 15 1 1 A 18 18 PRO HA H 18 4.479 4.369 0.110 1
1 122 . 15 1 1 A 19 19 ILE H H 19 7.785 7.836 -0.051 1
1 123 . 15 1 1 A 19 19 ILE HA H 19 3.909 3.871 0.038 1
1 130 . 15 1 1 A 20 20 ILE H H 20 7.680 7.083 0.597 1
1 131 . 15 1 1 A 20 20 ILE HA H 20 3.812 4.231 -0.419 1
1 138 . 15 1 1 A 21 21 TYR H H 21 8.159 6.844 1.315 1
1 139 . 15 1 1 A 21 21 TYR HA H 21 4.400 4.706 -0.306 1
1 146 . 15 1 1 A 22 22 ALA H H 22 8.204 7.757 0.447 1
1 147 . 15 1 1 A 22 22 ALA HA H 22 3.809 4.228 -0.419 1
1 151 . 15 1 1 A 23 23 LEU H H 23 8.510 8.858 -0.348 1
1 152 . 15 1 1 A 23 23 LEU HA H 23 4.108 3.966 0.142 1
1 162 . 15 1 1 A 24 24 ARG H H 24 8.698 7.877 0.821 1
1 163 . 15 1 1 A 24 24 ARG HA H 24 4.098 4.650 -0.552 1
1 170 . 15 1 1 A 25 25 SER H H 25 8.136 8.702 -0.566 1
1 171 . 15 1 1 A 25 25 SER HA H 25 4.148 4.344 -0.196 1
1 174 . 15 1 1 A 26 26 LYS H H 26 7.916 8.022 -0.106 1
1 175 . 15 1 1 A 26 26 LYS HA H 26 4.099 3.974 0.125 1
1 184 . 15 1 1 A 27 27 ASP H H 27 8.263 8.167 0.096 1
1 185 . 15 1 1 A 27 27 ASP HA H 27 4.560 4.545 0.015 1
1 188 . 15 1 1 A 28 28 LEU H H 28 8.328 7.835 0.493 1
1 189 . 15 1 1 A 28 28 LEU HA H 28 4.191 3.993 0.198 1
1 199 . 15 1 1 A 29 29 ARG H H 29 8.122 8.721 -0.599 1
1 200 . 15 1 1 A 29 29 ARG HA H 29 4.124 4.027 0.097 1
1 207 . 15 1 1 A 30 30 HIS H H 30 8.150 7.883 0.267 1
1 208 . 15 1 1 A 30 30 HIS HA H 30 4.458 4.391 0.067 1
1 212 . 15 1 1 A 31 31 ALA H H 31 8.277 6.741 1.536 1
1 213 . 15 1 1 A 31 31 ALA HA H 31 4.142 3.954 0.188 1
1 217 . 15 1 1 A 32 32 PHE H H 32 8.417 8.401 0.016 1
1 218 . 15 1 1 A 32 32 PHE HA H 32 4.489 4.528 -0.039 1
1 223 . 15 1 1 A 33 33 ARG H H 33 8.077 8.873 -0.796 1
1 224 . 15 1 1 A 33 33 ARG HA H 33 4.219 4.252 -0.033 1
1 229 . 15 1 1 A 34 34 SER H H 34 7.893 8.670 -0.777 1
1 230 . 15 1 1 A 34 34 SER HA H 34 4.384 4.568 -0.184 1
1 233 . 15 1 1 A 35 35 MET H H 35 7.799 8.078 -0.279 1
1 234 . 15 1 1 A 35 35 MET HA H 35 4.309 4.545 -0.236 1
1 239 . 15 1 1 A 36 36 PHE H H 36 7.743 8.597 -0.854 1
1 240 . 15 1 1 A 36 36 PHE HA H 36 4.927 4.487 0.440 1
1 245 . 15 1 1 A 37 37 PRO HA H 37 4.517 4.258 0.259 1
1 252 . 15 1 1 A 38 38 SER H H 38 8.097 6.939 1.158 1
1 253 . 15 1 1 A 38 38 SER HA H 38 4.531 3.978 0.553 1
1 256 . 15 1 1 A 39 39 ALA H H 39 8.217 7.521 0.696 1
1 257 . 15 1 1 A 39 39 ALA HA H 39 4.265 4.509 -0.244 1
1 6 . 16 1 1 A 2 2 VAL H H 2 8.629 7.809 0.820 1
1 7 . 16 1 1 A 2 2 VAL HA H 2 4.148 3.605 0.543 1
1 15 . 16 1 1 A 3 3 PHE H H 3 7.868 8.321 -0.453 1
1 16 . 16 1 1 A 3 3 PHE HA H 3 4.503 4.324 0.179 1
1 21 . 16 1 1 A 4 4 ALA H H 4 7.937 6.740 1.197 1
1 22 . 16 1 1 A 4 4 ALA HA H 4 4.160 3.877 0.283 1
1 26 . 16 1 1 A 5 5 PHE H H 5 7.561 8.360 -0.799 1
1 27 . 16 1 1 A 5 5 PHE HA H 5 4.426 4.236 0.190 1
1 32 . 16 1 1 A 6 6 ALA H H 6 8.210 8.886 -0.676 1
1 33 . 16 1 1 A 6 6 ALA HA H 6 4.013 3.981 0.032 1
1 37 . 16 1 1 A 7 7 SER H H 7 7.973 8.314 -0.341 1
1 38 . 16 1 1 A 7 7 SER HA H 7 4.158 4.192 -0.034 1
1 41 . 16 1 1 A 8 8 MET H H 8 7.786 8.908 -1.122 1
1 42 . 16 1 1 A 8 8 MET HA H 8 4.276 4.163 0.113 1
1 47 . 16 1 1 A 9 9 LEU H H 9 8.056 8.739 -0.683 1
1 48 . 16 1 1 A 9 9 LEU HA H 9 4.015 3.862 0.153 1
1 58 . 16 1 1 A 10 10 CYS H H 10 8.043 8.809 -0.766 1
1 59 . 16 1 1 A 10 10 CYS HA H 10 4.004 4.149 -0.145 1
1 62 . 16 1 1 A 11 11 LEU H H 11 8.044 8.357 -0.313 1
1 63 . 16 1 1 A 11 11 LEU HA H 11 4.162 4.144 0.018 1
1 73 . 16 1 1 A 12 12 LEU H H 12 8.618 8.988 -0.370 1
1 74 . 16 1 1 A 12 12 LEU HA H 12 4.129 4.047 0.082 1
1 84 . 16 1 1 A 13 13 ASN H H 13 8.246 8.469 -0.223 1
1 85 . 16 1 1 A 13 13 ASN HA H 13 4.644 4.605 0.039 1
1 90 . 16 1 1 A 14 14 SER H H 14 7.990 7.885 0.105 1
1 91 . 16 1 1 A 14 14 SER HA H 14 4.496 4.258 0.238 1
1 94 . 16 1 1 A 15 15 THR H H 15 7.784 7.796 -0.012 1
1 95 . 16 1 1 A 15 15 THR HA H 15 4.418 4.553 -0.135 1
1 100 . 16 1 1 A 16 16 VAL H H 16 7.895 7.818 0.077 1
1 101 . 16 1 1 A 16 16 VAL HA H 16 4.136 4.289 -0.153 1
1 109 . 16 1 1 A 17 17 ASN H H 17 7.755 8.707 -0.952 1
1 110 . 16 1 1 A 17 17 ASN HA H 17 4.930 5.116 -0.186 1
1 115 . 16 1 1 A 18 18 PRO HA H 18 4.479 4.398 0.081 1
1 122 . 16 1 1 A 19 19 ILE H H 19 7.785 7.878 -0.093 1
1 123 . 16 1 1 A 19 19 ILE HA H 19 3.909 3.981 -0.072 1
1 130 . 16 1 1 A 20 20 ILE H H 20 7.680 7.544 0.136 1
1 131 . 16 1 1 A 20 20 ILE HA H 20 3.812 4.062 -0.250 1
1 138 . 16 1 1 A 21 21 TYR H H 21 8.159 7.348 0.811 1
1 139 . 16 1 1 A 21 21 TYR HA H 21 4.400 4.488 -0.088 1
1 146 . 16 1 1 A 22 22 ALA H H 22 8.204 7.708 0.496 1
1 147 . 16 1 1 A 22 22 ALA HA H 22 3.809 3.890 -0.081 1
1 151 . 16 1 1 A 23 23 LEU H H 23 8.510 8.347 0.163 1
1 152 . 16 1 1 A 23 23 LEU HA H 23 4.108 4.506 -0.398 1
1 162 . 16 1 1 A 24 24 ARG H H 24 8.698 8.435 0.263 1
1 163 . 16 1 1 A 24 24 ARG HA H 24 4.098 4.146 -0.048 1
1 170 . 16 1 1 A 25 25 SER H H 25 8.136 8.389 -0.253 1
1 171 . 16 1 1 A 25 25 SER HA H 25 4.148 4.271 -0.123 1
1 174 . 16 1 1 A 26 26 LYS H H 26 7.916 7.818 0.098 1
1 175 . 16 1 1 A 26 26 LYS HA H 26 4.099 3.966 0.133 1
1 184 . 16 1 1 A 27 27 ASP H H 27 8.263 8.315 -0.052 1
1 185 . 16 1 1 A 27 27 ASP HA H 27 4.560 4.287 0.273 1
1 188 . 16 1 1 A 28 28 LEU H H 28 8.328 8.297 0.031 1
1 189 . 16 1 1 A 28 28 LEU HA H 28 4.191 3.965 0.226 1
1 199 . 16 1 1 A 29 29 ARG H H 29 8.122 8.173 -0.051 1
1 200 . 16 1 1 A 29 29 ARG HA H 29 4.124 4.062 0.062 1
1 207 . 16 1 1 A 30 30 HIS H H 30 8.150 8.118 0.032 1
1 208 . 16 1 1 A 30 30 HIS HA H 30 4.458 4.286 0.172 1
1 212 . 16 1 1 A 31 31 ALA H H 31 8.277 7.037 1.240 1
1 213 . 16 1 1 A 31 31 ALA HA H 31 4.142 3.960 0.182 1
1 217 . 16 1 1 A 32 32 PHE H H 32 8.417 8.320 0.097 1
1 218 . 16 1 1 A 32 32 PHE HA H 32 4.489 4.157 0.332 1
1 223 . 16 1 1 A 33 33 ARG H H 33 8.077 8.721 -0.644 1
1 224 . 16 1 1 A 33 33 ARG HA H 33 4.219 3.983 0.236 1
1 229 . 16 1 1 A 34 34 SER H H 34 7.893 8.750 -0.857 1
1 230 . 16 1 1 A 34 34 SER HA H 34 4.384 4.648 -0.264 1
1 233 . 16 1 1 A 35 35 MET H H 35 7.799 8.574 -0.775 1
1 234 . 16 1 1 A 35 35 MET HA H 35 4.309 4.627 -0.318 1
1 239 . 16 1 1 A 36 36 PHE H H 36 7.743 7.659 0.084 1
1 240 . 16 1 1 A 36 36 PHE HA H 36 4.927 4.490 0.437 1
1 245 . 16 1 1 A 37 37 PRO HA H 37 4.517 4.321 0.196 1
1 252 . 16 1 1 A 38 38 SER H H 38 8.097 7.634 0.463 1
1 253 . 16 1 1 A 38 38 SER HA H 38 4.531 4.509 0.022 1
1 256 . 16 1 1 A 39 39 ALA H H 39 8.217 8.053 0.164 1
1 257 . 16 1 1 A 39 39 ALA HA H 39 4.265 4.348 -0.083 1
1 6 . 17 1 1 A 2 2 VAL H H 2 8.629 8.199 0.430 1
1 7 . 17 1 1 A 2 2 VAL HA H 2 4.148 3.721 0.427 1
1 15 . 17 1 1 A 3 3 PHE H H 3 7.868 8.371 -0.503 1
1 16 . 17 1 1 A 3 3 PHE HA H 3 4.503 4.017 0.486 1
1 21 . 17 1 1 A 4 4 ALA H H 4 7.937 8.812 -0.875 1
1 22 . 17 1 1 A 4 4 ALA HA H 4 4.160 3.973 0.187 1
1 26 . 17 1 1 A 5 5 PHE H H 5 7.561 8.091 -0.530 1
1 27 . 17 1 1 A 5 5 PHE HA H 5 4.426 4.008 0.418 1
1 32 . 17 1 1 A 6 6 ALA H H 6 8.210 8.772 -0.562 1
1 33 . 17 1 1 A 6 6 ALA HA H 6 4.013 3.889 0.124 1
1 37 . 17 1 1 A 7 7 SER H H 7 7.973 7.934 0.039 1
1 38 . 17 1 1 A 7 7 SER HA H 7 4.158 3.934 0.224 1
1 41 . 17 1 1 A 8 8 MET H H 8 7.786 8.684 -0.898 1
1 42 . 17 1 1 A 8 8 MET HA H 8 4.276 3.953 0.323 1
1 47 . 17 1 1 A 9 9 LEU H H 9 8.056 8.667 -0.611 1
1 48 . 17 1 1 A 9 9 LEU HA H 9 4.015 3.627 0.388 1
1 58 . 17 1 1 A 10 10 CYS H H 10 8.043 7.858 0.185 1
1 59 . 17 1 1 A 10 10 CYS HA H 10 4.004 3.998 0.006 1
1 62 . 17 1 1 A 11 11 LEU H H 11 8.044 8.279 -0.235 1
1 63 . 17 1 1 A 11 11 LEU HA H 11 4.162 3.893 0.269 1
1 73 . 17 1 1 A 12 12 LEU H H 12 8.618 8.687 -0.069 1
1 74 . 17 1 1 A 12 12 LEU HA H 12 4.129 3.981 0.148 1
1 84 . 17 1 1 A 13 13 ASN H H 13 8.246 7.793 0.453 1
1 85 . 17 1 1 A 13 13 ASN HA H 13 4.644 4.547 0.097 1
1 90 . 17 1 1 A 14 14 SER H H 14 7.990 8.447 -0.457 1
1 91 . 17 1 1 A 14 14 SER HA H 14 4.496 4.183 0.313 1
1 94 . 17 1 1 A 15 15 THR H H 15 7.784 7.805 -0.021 1
1 95 . 17 1 1 A 15 15 THR HA H 15 4.418 4.216 0.202 1
1 100 . 17 1 1 A 16 16 VAL H H 16 7.895 7.305 0.590 1
1 101 . 17 1 1 A 16 16 VAL HA H 16 4.136 4.348 -0.212 1
1 109 . 17 1 1 A 17 17 ASN H H 17 7.755 8.848 -1.093 1
1 110 . 17 1 1 A 17 17 ASN HA H 17 4.930 5.149 -0.219 1
1 115 . 17 1 1 A 18 18 PRO HA H 18 4.479 4.439 0.040 1
1 122 . 17 1 1 A 19 19 ILE H H 19 7.785 9.016 -1.231 1
1 123 . 17 1 1 A 19 19 ILE HA H 19 3.909 4.287 -0.378 1
1 130 . 17 1 1 A 20 20 ILE H H 20 7.680 7.776 -0.096 1
1 131 . 17 1 1 A 20 20 ILE HA H 20 3.812 3.942 -0.130 1
1 138 . 17 1 1 A 21 21 TYR H H 21 8.159 6.983 1.176 1
1 139 . 17 1 1 A 21 21 TYR HA H 21 4.400 4.650 -0.250 1
1 146 . 17 1 1 A 22 22 ALA H H 22 8.204 8.129 0.075 1
1 147 . 17 1 1 A 22 22 ALA HA H 22 3.809 4.177 -0.368 1
1 151 . 17 1 1 A 23 23 LEU H H 23 8.510 9.013 -0.503 1
1 152 . 17 1 1 A 23 23 LEU HA H 23 4.108 3.974 0.134 1
1 162 . 17 1 1 A 24 24 ARG H H 24 8.698 8.621 0.077 1
1 163 . 17 1 1 A 24 24 ARG HA H 24 4.098 4.156 -0.058 1
1 170 . 17 1 1 A 25 25 SER H H 25 8.136 7.945 0.191 1
1 171 . 17 1 1 A 25 25 SER HA H 25 4.148 4.470 -0.322 1
1 174 . 17 1 1 A 26 26 LYS H H 26 7.916 8.373 -0.457 1
1 175 . 17 1 1 A 26 26 LYS HA H 26 4.099 4.071 0.028 1
1 184 . 17 1 1 A 27 27 ASP H H 27 8.263 8.409 -0.146 1
1 185 . 17 1 1 A 27 27 ASP HA H 27 4.560 5.151 -0.591 1
1 188 . 17 1 1 A 28 28 LEU H H 28 8.328 8.011 0.317 1
1 189 . 17 1 1 A 28 28 LEU HA H 28 4.191 4.022 0.169 1
1 199 . 17 1 1 A 29 29 ARG H H 29 8.122 8.326 -0.204 1
1 200 . 17 1 1 A 29 29 ARG HA H 29 4.124 3.711 0.413 1
1 207 . 17 1 1 A 30 30 HIS H H 30 8.150 8.071 0.079 1
1 208 . 17 1 1 A 30 30 HIS HA H 30 4.458 4.301 0.157 1
1 212 . 17 1 1 A 31 31 ALA H H 31 8.277 6.874 1.403 1
1 213 . 17 1 1 A 31 31 ALA HA H 31 4.142 3.800 0.342 1
1 217 . 17 1 1 A 32 32 PHE H H 32 8.417 8.485 -0.068 1
1 218 . 17 1 1 A 32 32 PHE HA H 32 4.489 4.185 0.304 1
1 223 . 17 1 1 A 33 33 ARG H H 33 8.077 8.817 -0.740 1
1 224 . 17 1 1 A 33 33 ARG HA H 33 4.219 4.521 -0.302 1
1 229 . 17 1 1 A 34 34 SER H H 34 7.893 9.200 -1.307 1
1 230 . 17 1 1 A 34 34 SER HA H 34 4.384 4.679 -0.295 1
1 233 . 17 1 1 A 35 35 MET H H 35 7.799 8.908 -1.109 1
1 234 . 17 1 1 A 35 35 MET HA H 35 4.309 4.549 -0.240 1
1 239 . 17 1 1 A 36 36 PHE H H 36 7.743 7.655 0.088 1
1 240 . 17 1 1 A 36 36 PHE HA H 36 4.927 4.424 0.503 1
1 245 . 17 1 1 A 37 37 PRO HA H 37 4.517 4.214 0.303 1
1 252 . 17 1 1 A 38 38 SER H H 38 8.097 7.418 0.679 1
1 253 . 17 1 1 A 38 38 SER HA H 38 4.531 4.448 0.083 1
1 256 . 17 1 1 A 39 39 ALA H H 39 8.217 7.771 0.446 1
1 257 . 17 1 1 A 39 39 ALA HA H 39 4.265 4.123 0.142 1
1 6 . 18 1 1 A 2 2 VAL H H 2 8.629 7.611 1.018 1
1 7 . 18 1 1 A 2 2 VAL HA H 2 4.148 3.737 0.411 1
1 15 . 18 1 1 A 3 3 PHE H H 3 7.868 7.298 0.570 1
1 16 . 18 1 1 A 3 3 PHE HA H 3 4.503 4.430 0.073 1
1 21 . 18 1 1 A 4 4 ALA H H 4 7.937 8.922 -0.985 1
1 22 . 18 1 1 A 4 4 ALA HA H 4 4.160 4.082 0.078 1
1 26 . 18 1 1 A 5 5 PHE H H 5 7.561 7.955 -0.394 1
1 27 . 18 1 1 A 5 5 PHE HA H 5 4.426 4.078 0.348 1
1 32 . 18 1 1 A 6 6 ALA H H 6 8.210 9.145 -0.935 1
1 33 . 18 1 1 A 6 6 ALA HA H 6 4.013 4.007 0.006 1
1 37 . 18 1 1 A 7 7 SER H H 7 7.973 8.519 -0.546 1
1 38 . 18 1 1 A 7 7 SER HA H 7 4.158 4.114 0.044 1
1 41 . 18 1 1 A 8 8 MET H H 8 7.786 8.212 -0.426 1
1 42 . 18 1 1 A 8 8 MET HA H 8 4.276 4.084 0.192 1
1 47 . 18 1 1 A 9 9 LEU H H 9 8.056 8.810 -0.754 1
1 48 . 18 1 1 A 9 9 LEU HA H 9 4.015 3.714 0.301 1
1 58 . 18 1 1 A 10 10 CYS H H 10 8.043 9.103 -1.060 1
1 59 . 18 1 1 A 10 10 CYS HA H 10 4.004 4.002 0.002 1
1 62 . 18 1 1 A 11 11 LEU H H 11 8.044 8.534 -0.490 1
1 63 . 18 1 1 A 11 11 LEU HA H 11 4.162 3.906 0.256 1
1 73 . 18 1 1 A 12 12 LEU H H 12 8.618 9.352 -0.734 1
1 74 . 18 1 1 A 12 12 LEU HA H 12 4.129 4.015 0.114 1
1 84 . 18 1 1 A 13 13 ASN H H 13 8.246 8.606 -0.360 1
1 85 . 18 1 1 A 13 13 ASN HA H 13 4.644 4.633 0.011 1
1 90 . 18 1 1 A 14 14 SER H H 14 7.990 9.139 -1.149 1
1 91 . 18 1 1 A 14 14 SER HA H 14 4.496 4.250 0.246 1
1 94 . 18 1 1 A 15 15 THR H H 15 7.784 7.352 0.432 1
1 95 . 18 1 1 A 15 15 THR HA H 15 4.418 4.206 0.212 1
1 100 . 18 1 1 A 16 16 VAL H H 16 7.895 7.826 0.069 1
1 101 . 18 1 1 A 16 16 VAL HA H 16 4.136 4.402 -0.266 1
1 109 . 18 1 1 A 17 17 ASN H H 17 7.755 8.861 -1.106 1
1 110 . 18 1 1 A 17 17 ASN HA H 17 4.930 5.100 -0.170 1
1 115 . 18 1 1 A 18 18 PRO HA H 18 4.479 4.416 0.063 1
1 122 . 18 1 1 A 19 19 ILE H H 19 7.785 9.159 -1.374 1
1 123 . 18 1 1 A 19 19 ILE HA H 19 3.909 4.181 -0.272 1
1 130 . 18 1 1 A 20 20 ILE H H 20 7.680 7.412 0.268 1
1 131 . 18 1 1 A 20 20 ILE HA H 20 3.812 4.232 -0.420 1
1 138 . 18 1 1 A 21 21 TYR H H 21 8.159 7.366 0.793 1
1 139 . 18 1 1 A 21 21 TYR HA H 21 4.400 5.122 -0.722 1
1 146 . 18 1 1 A 22 22 ALA H H 22 8.204 7.986 0.218 1
1 147 . 18 1 1 A 22 22 ALA HA H 22 3.809 4.273 -0.464 1
1 151 . 18 1 1 A 23 23 LEU H H 23 8.510 9.021 -0.511 1
1 152 . 18 1 1 A 23 23 LEU HA H 23 4.108 3.914 0.194 1
1 162 . 18 1 1 A 24 24 ARG H H 24 8.698 9.685 -0.987 1
1 163 . 18 1 1 A 24 24 ARG HA H 24 4.098 4.132 -0.034 1
1 170 . 18 1 1 A 25 25 SER H H 25 8.136 8.244 -0.108 1
1 171 . 18 1 1 A 25 25 SER HA H 25 4.148 4.553 -0.405 1
1 174 . 18 1 1 A 26 26 LYS H H 26 7.916 8.096 -0.180 1
1 175 . 18 1 1 A 26 26 LYS HA H 26 4.099 3.929 0.170 1
1 184 . 18 1 1 A 27 27 ASP H H 27 8.263 8.244 0.019 1
1 185 . 18 1 1 A 27 27 ASP HA H 27 4.560 4.615 -0.055 1
1 188 . 18 1 1 A 28 28 LEU H H 28 8.328 7.971 0.357 1
1 189 . 18 1 1 A 28 28 LEU HA H 28 4.191 4.157 0.034 1
1 199 . 18 1 1 A 29 29 ARG H H 29 8.122 8.210 -0.088 1
1 200 . 18 1 1 A 29 29 ARG HA H 29 4.124 4.098 0.026 1
1 207 . 18 1 1 A 30 30 HIS H H 30 8.150 7.798 0.352 1
1 208 . 18 1 1 A 30 30 HIS HA H 30 4.458 4.366 0.092 1
1 212 . 18 1 1 A 31 31 ALA H H 31 8.277 7.686 0.591 1
1 213 . 18 1 1 A 31 31 ALA HA H 31 4.142 4.016 0.126 1
1 217 . 18 1 1 A 32 32 PHE H H 32 8.417 8.028 0.389 1
1 218 . 18 1 1 A 32 32 PHE HA H 32 4.489 4.376 0.113 1
1 223 . 18 1 1 A 33 33 ARG H H 33 8.077 8.891 -0.814 1
1 224 . 18 1 1 A 33 33 ARG HA H 33 4.219 3.745 0.474 1
1 229 . 18 1 1 A 34 34 SER H H 34 7.893 8.675 -0.782 1
1 230 . 18 1 1 A 34 34 SER HA H 34 4.384 4.428 -0.044 1
1 233 . 18 1 1 A 35 35 MET H H 35 7.799 8.301 -0.502 1
1 234 . 18 1 1 A 35 35 MET HA H 35 4.309 4.568 -0.259 1
1 239 . 18 1 1 A 36 36 PHE H H 36 7.743 7.718 0.025 1
1 240 . 18 1 1 A 36 36 PHE HA H 36 4.927 4.593 0.334 1
1 245 . 18 1 1 A 37 37 PRO HA H 37 4.517 4.358 0.159 1
1 252 . 18 1 1 A 38 38 SER H H 38 8.097 8.239 -0.142 1
1 253 . 18 1 1 A 38 38 SER HA H 38 4.531 4.376 0.155 1
1 256 . 18 1 1 A 39 39 ALA H H 39 8.217 7.984 0.233 1
1 257 . 18 1 1 A 39 39 ALA HA H 39 4.265 4.404 -0.139 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 36 0.680 1
5 1 1 1 "RMS(OBS, PRED)" HA 38 0.283 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 36 0.720 1
11 1 2 1 "RMS(OBS, PRED)" HA 38 0.308 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 36 0.616 1
17 1 3 1 "RMS(OBS, PRED)" HA 38 0.341 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 36 0.656 1
23 1 4 1 "RMS(OBS, PRED)" HA 38 0.292 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 36 0.694 1
29 1 5 1 "RMS(OBS, PRED)" HA 38 0.271 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 36 0.728 1
35 1 6 1 "RMS(OBS, PRED)" HA 38 0.277 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 36 0.662 1
41 1 7 1 "RMS(OBS, PRED)" HA 38 0.249 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 36 0.673 1
47 1 8 1 "RMS(OBS, PRED)" HA 38 0.222 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 36 0.609 1
53 1 9 1 "RMS(OBS, PRED)" HA 38 0.306 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 36 0.683 1
59 1 10 1 "RMS(OBS, PRED)" HA 38 0.258 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 36 0.667 1
65 1 11 1 "RMS(OBS, PRED)" HA 38 0.280 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 36 0.704 1
71 1 12 1 "RMS(OBS, PRED)" HA 38 0.281 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 36 0.693 1
77 1 13 1 "RMS(OBS, PRED)" HA 38 0.269 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 36 0.697 1
83 1 14 1 "RMS(OBS, PRED)" HA 38 0.293 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 36 0.679 1
89 1 15 1 "RMS(OBS, PRED)" HA 38 0.269 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 36 0.578 1
95 1 16 1 "RMS(OBS, PRED)" HA 38 0.214 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 36 0.649 1
101 1 17 1 "RMS(OBS, PRED)" HA 38 0.292 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 36 0.664 1
107 1 18 1 "RMS(OBS, PRED)" HA 38 0.257 1
108 1 18 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 6 . 1 1 A 2 2 VAL H H 2 8.629 7.737 0.892 2
1 7 . 1 1 A 2 2 VAL HA H 2 4.148 3.656 0.492 2
1 15 . 1 1 A 3 3 PHE H H 3 7.868 7.728 0.140 2
1 16 . 1 1 A 3 3 PHE HA H 3 4.503 4.272 0.231 2
1 21 . 1 1 A 4 4 ALA H H 4 7.937 8.290 -0.353 2
1 22 . 1 1 A 4 4 ALA HA H 4 4.160 3.902 0.258 2
1 26 . 1 1 A 5 5 PHE H H 5 7.561 8.203 -0.642 2
1 27 . 1 1 A 5 5 PHE HA H 5 4.426 4.070 0.356 2
1 32 . 1 1 A 6 6 ALA H H 6 8.210 8.956 -0.746 2
1 33 . 1 1 A 6 6 ALA HA H 6 4.013 3.987 0.026 2
1 37 . 1 1 A 7 7 SER H H 7 7.973 8.273 -0.300 2
1 38 . 1 1 A 7 7 SER HA H 7 4.158 4.094 0.064 2
1 41 . 1 1 A 8 8 MET H H 8 7.786 8.683 -0.897 2
1 42 . 1 1 A 8 8 MET HA H 8 4.276 4.054 0.222 2
1 47 . 1 1 A 9 9 LEU H H 9 8.056 8.834 -0.778 2
1 48 . 1 1 A 9 9 LEU HA H 9 4.015 3.803 0.212 2
1 58 . 1 1 A 10 10 CYS H H 10 8.043 8.584 -0.541 2
1 59 . 1 1 A 10 10 CYS HA H 10 4.004 4.034 -0.030 2
1 62 . 1 1 A 11 11 LEU H H 11 8.044 8.251 -0.207 2
1 63 . 1 1 A 11 11 LEU HA H 11 4.162 4.040 0.122 2
1 73 . 1 1 A 12 12 LEU H H 12 8.618 8.742 -0.124 2
1 74 . 1 1 A 12 12 LEU HA H 12 4.129 3.968 0.161 2
1 84 . 1 1 A 13 13 ASN H H 13 8.246 8.463 -0.217 2
1 85 . 1 1 A 13 13 ASN HA H 13 4.644 4.616 0.028 2
1 90 . 1 1 A 14 14 SER H H 14 7.990 8.338 -0.348 2
1 91 . 1 1 A 14 14 SER HA H 14 4.496 4.299 0.197 2
1 94 . 1 1 A 15 15 THR H H 15 7.784 7.833 -0.049 2
1 95 . 1 1 A 15 15 THR HA H 15 4.418 4.366 0.052 2
1 100 . 1 1 A 16 16 VAL H H 16 7.895 7.687 0.208 2
1 101 . 1 1 A 16 16 VAL HA H 16 4.136 4.430 -0.294 2
1 109 . 1 1 A 17 17 ASN H H 17 7.755 8.711 -0.956 2
1 110 . 1 1 A 17 17 ASN HA H 17 4.930 5.102 -0.172 2
1 115 . 1 1 A 18 18 PRO HA H 18 4.479 4.403 0.076 2
1 122 . 1 1 A 19 19 ILE H H 19 7.785 8.281 -0.496 2
1 123 . 1 1 A 19 19 ILE HA H 19 3.909 4.046 -0.138 2
1 130 . 1 1 A 20 20 ILE H H 20 7.680 7.520 0.160 2
1 131 . 1 1 A 20 20 ILE HA H 20 3.812 4.113 -0.301 2
1 138 . 1 1 A 21 21 TYR H H 21 8.159 7.291 0.868 2
1 139 . 1 1 A 21 21 TYR HA H 21 4.400 4.622 -0.222 2
1 146 . 1 1 A 22 22 ALA H H 22 8.204 8.144 0.060 2
1 147 . 1 1 A 22 22 ALA HA H 22 3.809 4.153 -0.344 2
1 151 . 1 1 A 23 23 LEU H H 23 8.510 8.461 0.049 2
1 152 . 1 1 A 23 23 LEU HA H 23 4.108 4.366 -0.258 2
1 162 . 1 1 A 24 24 ARG H H 24 8.698 8.507 0.191 2
1 163 . 1 1 A 24 24 ARG HA H 24 4.098 4.140 -0.042 2
1 170 . 1 1 A 25 25 SER H H 25 8.136 8.297 -0.161 2
1 171 . 1 1 A 25 25 SER HA H 25 4.148 4.507 -0.359 2
1 174 . 1 1 A 26 26 LYS H H 26 7.916 8.305 -0.389 2
1 175 . 1 1 A 26 26 LYS HA H 26 4.099 4.015 0.084 2
1 184 . 1 1 A 27 27 ASP H H 27 8.263 8.278 -0.015 2
1 185 . 1 1 A 27 27 ASP HA H 27 4.560 4.738 -0.178 2
1 188 . 1 1 A 28 28 LEU H H 28 8.328 8.146 0.182 2
1 189 . 1 1 A 28 28 LEU HA H 28 4.191 4.002 0.189 2
1 199 . 1 1 A 29 29 ARG H H 29 8.122 8.283 -0.161 2
1 200 . 1 1 A 29 29 ARG HA H 29 4.124 4.013 0.111 2
1 207 . 1 1 A 30 30 HIS H H 30 8.150 8.056 0.094 2
1 208 . 1 1 A 30 30 HIS HA H 30 4.458 4.313 0.145 2
1 212 . 1 1 A 31 31 ALA H H 31 8.277 6.961 1.316 2
1 213 . 1 1 A 31 31 ALA HA H 31 4.142 3.907 0.235 2
1 217 . 1 1 A 32 32 PHE H H 32 8.417 8.441 -0.024 2
1 218 . 1 1 A 32 32 PHE HA H 32 4.489 4.271 0.218 2
1 223 . 1 1 A 33 33 ARG H H 33 8.077 8.667 -0.590 2
1 224 . 1 1 A 33 33 ARG HA H 33 4.219 4.118 0.101 2
1 229 . 1 1 A 34 34 SER H H 34 7.893 8.585 -0.692 2
1 230 . 1 1 A 34 34 SER HA H 34 4.384 4.687 -0.303 2
1 233 . 1 1 A 35 35 MET H H 35 7.799 8.657 -0.858 2
1 234 . 1 1 A 35 35 MET HA H 35 4.309 4.604 -0.295 2
1 239 . 1 1 A 36 36 PHE H H 36 7.743 8.269 -0.526 2
1 240 . 1 1 A 36 36 PHE HA H 36 4.927 4.570 0.357 2
1 245 . 1 1 A 37 37 PRO HA H 37 4.517 4.366 0.151 2
1 252 . 1 1 A 38 38 SER H H 38 8.097 7.606 0.490 2
1 253 . 1 1 A 38 38 SER HA H 38 4.531 4.249 0.282 2
1 256 . 1 1 A 39 39 ALA H H 39 8.217 7.779 0.438 2
1 257 . 1 1 A 39 39 ALA HA H 39 4.265 4.306 -0.042 2
stop_
save_