data_nef_c17540_2lay save_entry_information _nef_nmr_meta_data.sf_category nef_nmr_meta_data _nef_nmr_meta_data.sf_framecode entry_information _nef_nmr_meta_data.format_name nmr_exchange_format _nef_nmr_meta_data.format_version 1.1 loop_ _nef_related_entries.database_name _nef_related_entries.database_accession_code BMRB 17538 BMRB 17539 stop_ save_ save_assembly _nef_molecular_system.sf_category nef_molecular_system _nef_molecular_system.sf_framecode assembly loop_ _nef_covalent_links.chain_code_1 _nef_covalent_links.sequence_code_1 _nef_covalent_links.residue_name_1 _nef_covalent_links.atom_name_1 _nef_covalent_links.chain_code_2 _nef_covalent_links.sequence_code_2 _nef_covalent_links.residue_name_2 _nef_covalent_links.atom_name_2 2 5 HIS C 2 6 SEP N 2 6 SEP C 2 7 PRO N stop_ loop_ _nef_sequence.index _nef_sequence.chain_code _nef_sequence.sequence_code _nef_sequence.residue_name _nef_sequence.linking _nef_sequence.residue_variant _nef_sequence.cis_peptide 1 A 170 ASP start . . 2 A 171 VAL middle . . 3 A 172 PRO middle . false 4 A 173 LEU middle . . 5 A 174 PRO middle . false 6 A 175 ALA middle . . 7 A 176 GLY middle . false 8 A 177 TRP middle . . 9 A 178 GLU middle . . 10 A 179 MET middle . . 11 A 180 ALA middle . . 12 A 181 LYS middle . . 13 A 182 THR middle . . 14 A 183 SER middle . . 15 A 184 SER middle . . 16 A 185 GLY middle . false 17 A 186 GLN middle . . 18 A 187 ARG middle . . 19 A 188 TYR middle . . 20 A 189 PHE middle . . 21 A 190 LEU middle . . 22 A 191 ASN middle . . 23 A 192 HIS middle . . 24 A 193 ILE middle . . 25 A 194 ASP middle . . 26 A 195 GLN middle . . 27 A 196 THR middle . . 28 A 197 THR middle . . 29 A 198 THR middle . . 30 A 199 TRP middle . . 31 A 200 GLN middle . . 32 A 201 ASP middle . . 33 A 202 PRO middle . false 34 A 203 ARG middle . . 35 A 204 LYS middle . . 36 A 205 ALA end . . 37 B 201 SER start . . 38 B 202 THR middle . . 39 B 203 TYR middle . . 40 B 204 PRO middle . false 41 B 205 HIS middle . . 42 B 206 SEP middle . . 43 B 207 PRO middle . false 44 B 208 THR middle . . 45 B 209 SER end . . stop_ save_ save_assigned_chem_shift_list_1 _nef_chemical_shift_list.sf_category nef_chemical_shift_list _nef_chemical_shift_list.sf_framecode assigned_chem_shift_list_1 loop_ _nef_chemical_shift.chain_code _nef_chemical_shift.sequence_code _nef_chemical_shift.residue_name _nef_chemical_shift.atom_name _nef_chemical_shift.element _nef_chemical_shift.isotope_number _nef_chemical_shift.value _nef_chemical_shift.value_uncertainty A 170 ASP H1 H 1 7.991 0.114 A 170 ASP HA H 1 4.222 0.000 A 170 ASP HBy H 1 2.513 0.000 A 170 ASP HBx H 1 2.376 0.000 A 170 ASP CA C 13 51.651 0.000 A 170 ASP CB C 13 37.525 0.000 A 170 ASP N N 15 116.906 2.367 A 171 VAL H H 1 7.178 0.000 A 171 VAL HA H 1 4.021 0.000 A 171 VAL HB H 1 1.779 0.000 A 171 VAL HGx% H 1 0.776 0.000 A 171 VAL HGy% H 1 0.753 0.004 A 172 PRO HA H 1 4.134 0.000 A 172 PRO HBy H 1 1.764 0.004 A 172 PRO HBx H 1 1.617 0.004 A 172 PRO HDy H 1 3.797 0.000 A 172 PRO HDx H 1 3.435 0.000 A 172 PRO HGx H 1 2.099 0.001 A 172 PRO CA C 13 60.697 0.000 A 172 PRO CB C 13 29.940 0.000 A 173 LEU H H 1 8.385 0.000 A 173 LEU HA H 1 4.008 0.000 A 173 LEU HBy H 1 1.620 0.000 A 173 LEU HBx H 1 1.555 0.000 A 173 LEU HDx% H 1 0.907 0.001 A 173 LEU HDy% H 1 0.667 0.001 A 173 LEU HG H 1 1.285 0.000 A 173 LEU CA C 13 50.677 0.000 A 173 LEU CB C 13 38.569 0.000 A 173 LEU N N 15 121.868 0.000 A 174 PRO HA H 1 4.270 0.000 A 174 PRO HBy H 1 1.365 0.000 A 174 PRO HBx H 1 1.292 0.000 A 174 PRO HDy H 1 3.147 0.000 A 174 PRO HDx H 1 2.694 0.001 A 174 PRO HGy H 1 1.772 0.000 A 174 PRO HGx H 1 1.620 0.000 A 174 PRO CB C 13 44.125 15.428 A 175 ALA H H 1 8.264 0.002 A 175 ALA HA H 1 3.986 0.000 A 175 ALA HB% H 1 1.209 0.000 A 175 ALA CA C 13 51.341 0.034 A 175 ALA CB C 13 15.435 0.069 A 175 ALA N N 15 123.489 0.000 A 176 GLY H H 1 8.639 0.002 A 176 GLY HAx H 1 3.389 0.000 A 176 GLY HAy H 1 4.020 0.000 A 176 GLY CA C 13 42.648 0.206 A 176 GLY N N 15 110.098 0.000 A 177 TRP H H 1 7.566 0.003 A 177 TRP HA H 1 5.507 0.000 A 177 TRP HBy H 1 3.089 0.001 A 177 TRP HBx H 1 2.862 0.001 A 177 TRP HD1 H 1 6.869 0.000 A 177 TRP HE1 H 1 10.225 0.000 A 177 TRP HE3 H 1 6.651 0.003 A 177 TRP HH2 H 1 7.202 0.003 A 177 TRP HZ2 H 1 7.257 0.000 A 177 TRP HZ3 H 1 6.965 0.003 A 177 TRP CA C 13 53.649 0.143 A 177 TRP CB C 13 29.715 0.000 A 177 TRP N N 15 117.088 0.000 A 178 GLU H H 1 9.269 0.000 A 178 GLU HA H 1 4.527 0.000 A 178 GLU HBy H 1 1.958 0.000 A 178 GLU HBx H 1 1.855 0.000 A 178 GLU HGy H 1 2.178 0.000 A 178 GLU HGx H 1 2.028 0.000 A 178 GLU CA C 13 52.752 0.000 A 178 GLU CB C 13 32.709 0.000 A 178 GLU N N 15 121.774 0.000 A 179 MET H H 1 8.886 0.000 A 179 MET HA H 1 4.228 0.000 A 179 MET HBy H 1 1.788 0.085 A 179 MET HBx H 1 1.629 0.059 A 179 MET HGx H 1 2.192 0.000 A 179 MET CA C 13 52.513 0.108 A 179 MET CB C 13 33.063 0.036 A 179 MET N N 15 125.905 0.000 A 180 ALA H H 1 8.269 0.001 A 180 ALA HA H 1 4.150 0.000 A 180 ALA HB% H 1 0.336 0.000 A 180 ALA CA C 13 48.066 0.065 A 180 ALA CB C 13 19.591 0.102 A 180 ALA N N 15 130.249 0.000 A 181 LYS H H 1 7.941 0.000 A 181 LYS HA H 1 5.245 0.007 A 181 LYS HBx H 1 1.344 0.006 A 181 LYS HBy H 1 1.367 0.000 A 181 LYS HDy H 1 1.089 0.000 A 181 LYS HDx H 1 0.963 0.003 A 181 LYS HEx H 1 2.641 0.000 A 181 LYS HGy H 1 1.424 0.009 A 181 LYS HGx H 1 0.961 0.000 A 181 LYS CA C 13 51.873 0.163 A 181 LYS CB C 13 34.238 0.032 A 181 LYS N N 15 115.539 0.000 A 182 THR H H 1 9.140 0.000 A 182 THR HA H 1 4.232 0.000 A 182 THR HG1 H 1 4.762 0.000 A 182 THR HG2% H 1 1.345 0.000 A 182 THR CA C 13 58.608 0.000 A 182 THR CB C 13 69.085 0.000 A 182 THR N N 15 113.631 0.000 A 183 SER H H 1 8.473 0.000 A 183 SER HA H 1 4.065 0.000 A 183 SER HBy H 1 3.864 0.000 A 183 SER HBx H 1 3.803 0.000 A 183 SER CA C 13 55.875 0.000 A 183 SER CB C 13 61.537 0.000 A 184 SER H H 1 8.219 0.000 A 184 SER HA H 1 4.405 0.000 A 184 SER HBy H 1 3.896 0.001 A 184 SER HBx H 1 3.654 0.002 A 184 SER CA C 13 55.972 0.097 A 184 SER CB C 13 61.114 0.032 A 184 SER N N 15 117.908 0.000 A 185 GLY H H 1 7.972 0.000 A 185 GLY HAx H 1 3.382 0.000 A 185 GLY HAy H 1 4.104 0.008 A 185 GLY CA C 13 42.827 0.097 A 185 GLY N N 15 110.557 0.000 A 186 GLN H H 1 7.394 0.000 A 186 GLN HA H 1 4.221 0.000 A 186 GLN HBy H 1 2.093 0.001 A 186 GLN HBx H 1 2.049 0.000 A 186 GLN HE2y H 1 7.299 0.000 A 186 GLN HE2x H 1 6.446 0.000 A 186 GLN HGy H 1 2.191 0.000 A 186 GLN HGx H 1 2.123 0.000 A 186 GLN CA C 13 53.435 0.163 A 186 GLN CB C 13 26.429 0.163 A 186 GLN N N 15 120.665 0.000 A 187 ARG H H 1 8.807 0.000 A 187 ARG HA H 1 4.239 0.002 A 187 ARG HBy H 1 1.613 0.004 A 187 ARG HBx H 1 1.536 0.062 A 187 ARG HGy H 1 1.463 0.009 A 187 ARG HGx H 1 1.224 0.000 A 187 ARG CA C 13 53.858 0.000 A 187 ARG CB C 13 28.804 0.000 A 187 ARG N N 15 126.673 0.000 A 188 TYR H H 1 8.616 0.004 A 188 TYR HA H 1 4.467 0.000 A 188 TYR HBy H 1 2.424 0.005 A 188 TYR HBx H 1 2.152 0.003 A 188 TYR HDy H 1 6.513 0.000 A 188 TYR HEy H 1 6.102 0.003 A 188 TYR CA C 13 53.305 0.097 A 188 TYR CB C 13 37.297 0.097 A 188 TYR N N 15 120.212 0.000 A 189 PHE H H 1 8.851 0.001 A 189 PHE HA H 1 5.102 0.000 A 189 PHE HBy H 1 2.975 0.000 A 189 PHE HBx H 1 2.849 0.002 A 189 PHE HDy H 1 6.799 0.000 A 189 PHE HEy H 1 7.005 0.001 A 189 PHE HZ H 1 7.203 0.002 A 189 PHE CA C 13 54.899 0.065 A 189 PHE CB C 13 39.216 0.000 A 189 PHE N N 15 115.961 0.000 A 190 LEU H H 1 9.285 0.002 A 190 LEU HA H 1 4.531 0.000 A 190 LEU HBy H 1 1.082 0.000 A 190 LEU HBx H 1 1.055 0.000 A 190 LEU HDx% H 1 0.495 0.000 A 190 LEU HDy% H 1 0.391 0.000 A 190 LEU HG H 1 0.885 0.000 A 190 LEU CA C 13 58.153 0.000 A 190 LEU CB C 13 39.802 0.000 A 190 LEU N N 15 123.131 0.000 A 191 ASN H H 1 8.273 0.000 A 191 ASN HA H 1 3.691 0.000 A 191 ASN HBy H 1 2.361 0.000 A 191 ASN HBx H 1 0.019 0.000 A 191 ASN HD2y H 1 6.436 0.000 A 191 ASN HD2x H 1 5.636 0.000 A 191 ASN N N 15 124.516 0.000 A 192 HIS H H 1 8.502 0.000 A 192 HIS HA H 1 4.076 0.000 A 192 HIS HBx H 1 2.859 0.000 A 192 HIS HD1 H 1 6.592 0.000 A 192 HIS HE1 H 1 7.525 0.000 A 193 ILE H H 1 8.024 0.000 A 193 ILE HA H 1 3.611 0.000 A 193 ILE HB H 1 1.780 0.000 A 193 ILE HD1% H 1 0.965 0.000 A 193 ILE HG21 H 1 1.303 0.000 A 193 ILE HG22 H 1 0.969 0.000 A 193 ILE HG23 H 1 0.627 0.000 A 193 ILE CA C 13 60.821 0.000 A 193 ILE CB C 13 34.205 0.000 A 194 ASP H H 1 6.873 0.000 A 194 ASP HA H 1 4.352 0.000 A 194 ASP HBy H 1 2.345 0.005 A 194 ASP HBx H 1 2.188 0.004 A 194 ASP CA C 13 50.507 0.162 A 194 ASP CB C 13 38.760 0.066 A 194 ASP N N 15 116.653 0.000 A 195 GLN H H 1 7.575 0.000 A 195 GLN HA H 1 3.620 0.001 A 195 GLN HBx H 1 1.985 0.004 A 195 GLN HE2y H 1 7.380 0.000 A 195 GLN HE2x H 1 6.671 0.000 A 195 GLN HGx H 1 2.078 0.000 A 195 GLN CA C 13 53.955 0.163 A 195 GLN CB C 13 21.841 0.260 A 195 GLN N N 15 115.219 0.000 A 196 THR H H 1 7.632 0.003 A 196 THR HA H 1 4.413 0.003 A 196 THR HB H 1 3.930 0.001 A 196 THR HG2% H 1 0.865 0.003 A 196 THR CA C 13 56.981 0.000 A 196 THR CB C 13 70.290 0.032 A 196 THR N N 15 108.818 0.000 A 197 THR H H 1 8.056 0.000 A 197 THR HA H 1 5.298 0.000 A 197 THR HB H 1 3.747 0.000 A 197 THR HG2% H 1 0.897 0.000 A 197 THR CA C 13 56.851 0.000 A 197 THR CB C 13 70.029 0.163 A 197 THR N N 15 108.934 0.000 A 198 THR H H 1 9.007 0.000 A 198 THR HA H 1 4.633 0.000 A 198 THR HB H 1 4.528 0.000 A 198 THR HG2% H 1 1.361 0.000 A 198 THR CA C 13 56.981 0.130 A 198 THR CB C 13 66.514 0.032 A 198 THR N N 15 113.003 0.000 A 199 TRP H H 1 8.685 0.000 A 199 TRP HA H 1 4.886 0.000 A 199 TRP HBy H 1 3.476 0.000 A 199 TRP HBx H 1 2.987 0.000 A 199 TRP HD1 H 1 7.185 0.008 A 199 TRP HE1 H 1 10.046 0.000 A 199 TRP HE3 H 1 7.953 0.000 A 199 TRP HH2 H 1 6.796 0.000 A 199 TRP HZ2 H 1 7.146 0.000 A 199 TRP HZ3 H 1 6.664 0.000 A 199 TRP CA C 13 55.485 0.000 A 199 TRP CB C 13 28.902 0.033 A 199 TRP N N 15 125.589 0.000 A 200 GLN H H 1 8.453 0.000 A 200 GLN HA H 1 4.017 0.000 A 200 GLN HBy H 1 1.893 0.000 A 200 GLN HBx H 1 1.813 0.000 A 200 GLN HE2y H 1 7.004 0.000 A 200 GLN HE2x H 1 6.802 0.000 A 200 GLN HGy H 1 2.064 0.000 A 200 GLN HGx H 1 1.954 0.000 A 200 GLN CB C 13 40.452 13.406 A 200 GLN N N 15 119.992 0.000 A 201 ASP H H 1 8.417 0.000 A 201 ASP HA H 1 2.364 0.000 A 201 ASP HBy H 1 2.061 0.000 A 201 ASP HBx H 1 1.963 0.000 A 201 ASP CA C 13 51.320 0.000 A 201 ASP CB C 13 35.897 0.000 A 201 ASP N N 15 119.992 0.000 A 202 PRO HA H 1 3.786 0.003 A 202 PRO HBy H 1 0.335 0.007 A 202 PRO HBx H 1 0.124 0.000 A 202 PRO HDy H 1 2.372 0.000 A 202 PRO HDx H 1 2.249 0.000 A 202 PRO HGy H 1 0.647 0.000 A 202 PRO HGx H 1 0.583 0.001 A 202 PRO CA C 13 59.975 0.000 A 202 PRO CB C 13 30.106 0.000 A 203 ARG H H 1 8.351 0.000 A 203 ARG HA H 1 3.718 0.000 A 203 ARG HBy H 1 1.614 0.002 A 203 ARG HBx H 1 1.553 0.000 A 203 ARG HDy H 1 2.764 0.004 A 203 ARG HDx H 1 2.478 0.005 A 203 ARG HE H 1 8.739 0.000 A 203 ARG HGy H 1 1.473 0.000 A 203 ARG HGx H 1 0.971 0.000 A 203 ARG CA C 13 53.337 0.000 A 203 ARG CB C 13 26.592 0.000 A 203 ARG N N 15 124.821 0.000 A 204 LYS H H 1 6.954 0.000 A 204 LYS HA H 1 3.735 0.000 A 204 LYS HBx H 1 1.535 0.000 A 204 LYS HDx H 1 1.065 0.000 A 204 LYS HGx H 1 1.370 0.000 A 204 LYS CA C 13 55.420 0.000 A 204 LYS CB C 13 29.780 0.000 A 205 ALA H H 1 7.594 0.000 A 205 ALA HA H 1 3.762 0.000 A 205 ALA HB% H 1 0.487 0.000 A 205 ALA CA C 13 50.799 0.130 A 205 ALA CB C 13 16.180 0.000 A 205 ALA N N 15 122.425 0.000 stop_ save_ save_CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.sf_category nef_distance_restraint_list _nef_distance_restraint_list.sf_framecode CNS/XPLOR_distance_constraints_3 _nef_distance_restraint_list.restraint_origin noe _nef_distance_restraint_list.potential_type square-well-parabolic loop_ _nef_distance_restraint.index _nef_distance_restraint.restraint_id _nef_distance_restraint.chain_code_1 _nef_distance_restraint.sequence_code_1 _nef_distance_restraint.residue_name_1 _nef_distance_restraint.atom_name_1 _nef_distance_restraint.chain_code_2 _nef_distance_restraint.sequence_code_2 _nef_distance_restraint.residue_name_2 _nef_distance_restraint.atom_name_2 _nef_distance_restraint.weight _nef_distance_restraint.lower_limit _nef_distance_restraint.upper_limit 1 1 A 177 TRP HE1 A 191 ASN HD2y 1.0 2.28080769231 7.48619230769 2 2 A 171 VAL H A 170 ASP HA 1.0 2.13113076923 6.33866923077 3 3 A 171 VAL H A 170 ASP HBy 1.0 2.23910769231 7.16649230769 4 4 A 171 VAL H A 170 ASP HBx 1.0 2.22480000000 7.05680000000 5 5 A 174 PRO HA A 175 ALA H 1.0 1.90278461538 4.58801538462 6 6 A 175 ALA H A 174 PRO HBy 1.0 2.30561538462 7.67638461538 7 7 A 175 ALA H A 174 PRO HGy 1.0 2.11446923077 6.21093076923 8 8 A 177 TRP H A 176 GLY H 1.0 2.14040769231 6.40979230769 9 9 A 175 ALA H A 176 GLY H 1.0 2.21282307692 6.96497692308 10 10 A 176 GLY H A 175 ALA HA 1.0 2.00040000000 5.33640000000 11 11 A 176 GLY H A 175 ALA HB% 1.0 2.16805384615 6.62174615385 12 12 A 177 TRP H A 176 GLY H 1.0 2.12653846154 6.30346153846 13 13 A 177 TRP H A 178 GLU H 1.0 2.23061538462 7.10138461538 14 14 A 177 TRP H A 176 GLY HAy 1.0 2.15192307692 6.49807692308 15 15 A 177 TRP H A 176 GLY HAx 1.0 2.14779230769 6.46640769231 16 16 A 177 TRP H A 175 ALA HB% 1.0 2.25546923077 7.29193076923 17 17 A 177 TRP HE1 A 174 PRO HBy 1.0 2.35153846154 8.02846153846 18 18 A 177 TRP HE1 A 174 PRO HGy 1.0 2.22669230769 7.07130769231 19 19 A 178 GLU H A 177 TRP HD1 1.0 2.33420769231 7.89559230769 20 20 A 178 GLU H A 177 TRP HA 1.0 2.05493076923 5.75446923077 21 21 A 178 GLU H A 177 TRP HBx 1.0 2.13606923077 6.37653076923 22 22 A 178 GLU H A 177 TRP HBy 1.0 2.18524615385 6.75355384615 23 23 A 178 GLU HA A 179 MET H 1.0 2.05368461538 5.74491538462 24 24 A 179 MET H A 178 GLU HBy 1.0 2.22828461538 7.08351538462 25 25 A 179 MET H A 178 GLU HBx 1.0 2.10401538462 6.13078461538 26 26 A 178 GLU H A 180 ALA HB% 1.0 2.44089230769 8.71350769231 27 27 A 178 GLU H A 179 MET H 1.0 2.33420769231 7.89559230769 28 28 A 179 MET HA A 180 ALA H 1.0 2.02673076923 5.53826923077 29 29 A 180 ALA H A 189 PHE HA 1.0 2.19293076923 6.81246923077 30 30 A 180 ALA H A 179 MET HBy 1.0 2.10537692308 6.14122307692 31 31 A 180 ALA H A 179 MET HBx 1.0 2.10745384615 6.15714615385 32 32 A 180 ALA HB% A 181 LYS H 1.0 2.08056923077 5.95103076923 33 33 A 178 GLU H A 180 ALA H 1.0 2.43726923077 8.68573076923 34 34 A 181 LYS H A 182 THR H 1.0 2.24748461538 7.23071538462 35 35 A 181 LYS H A 182 THR H 1.0 2.23096153846 7.10403846154 36 36 A 182 THR H A 186 GLN H 1.0 2.16500769231 6.59839230769 37 37 A 182 THR H A 181 LYS HA 1.0 2.07336923077 5.89583076923 38 38 A 182 THR H A 188 TYR HD% 1.0 2.18997692308 6.78982307692 39 39 A 181 LYS H A 180 ALA HA 1.0 1.93839230769 4.86100769231 40 40 A 182 THR H A 187 ARG HA 1.0 2.21522307692 6.98337692308 41 41 A 182 THR H A 185 GLY H 1.0 2.25004615385 7.25035384615 42 42 A 182 THR H A 186 GLN H 1.0 2.15155384615 6.49524615385 43 43 A 186 GLN H A 187 ARG H 1.0 2.23977692308 7.17162307692 44 44 A 186 GLN H A 185 GLY H 1.0 2.10756923077 6.15803076923 45 45 A 186 GLN H A 185 GLY H 1.0 2.08980000000 6.02180000000 46 46 A 186 GLN H A 187 ARG H 1.0 2.30933076923 7.70486923077 47 47 A 185 GLY H A 182 THR HG2% 1.0 2.23329230769 7.12190769231 48 48 A 186 GLN H A 185 GLY HAx 1.0 2.16025384615 6.56194615385 49 49 A 186 GLN H A 185 GLY HAy 1.0 2.15933076923 6.55486923077 50 50 A 187 ARG H A 186 GLN HA 1.0 2.01450000000 5.44450000000 51 51 A 187 ARG H A 186 GLN HBy 1.0 2.25886153846 7.31793846154 52 52 A 181 LYS HA A 188 TYR H 1.0 2.20823076923 6.92976923077 53 53 A 186 GLN H A 181 LYS HA 1.0 2.31290769231 7.73229230769 54 54 A 186 GLN H A 182 THR HG2% 1.0 2.20839230769 6.93100769231 55 55 A 187 ARG HA A 188 TYR H 1.0 2.22738461538 7.07661538462 56 56 A 199 TRP HA A 200 GLN H 1.0 2.21910000000 7.01310000000 57 57 A 200 GLN H A 199 TRP HBx 1.0 2.16413076923 6.59166923077 58 58 A 200 GLN H A 199 TRP HBy 1.0 2.19043846154 6.79336153846 59 59 A 188 TYR HA A 189 PHE H 1.0 2.09268461538 6.04391538462 60 60 A 189 PHE H A 190 LEU H 1.0 2.26638461538 7.37561538462 61 61 A 190 LEU H A 191 ASN H 1.0 2.32474615385 7.82305384615 62 62 A 189 PHE H A 190 LEU H 1.0 2.31717692308 7.76502307692 63 63 A 190 LEU H A 191 ASN H 1.0 2.26260000000 7.34660000000 64 64 A 192 HIS H A 193 ILE H 1.0 2.14398461538 6.43721538462 65 65 A 193 ILE H A 194 ASP H 1.0 2.10226153846 6.11733846154 66 66 A 194 ASP H A 195 GLN H 1.0 2.09485384615 6.06054615385 67 67 A 193 ILE H A 195 GLN H 1.0 2.20322307692 6.89137692308 68 68 A 193 ILE H A 194 ASP H 1.0 2.10401538462 6.13078461538 69 69 A 193 ILE H A 195 GLN H 1.0 2.18363076923 6.74116923077 70 70 A 193 ILE H A 192 HIS HA 1.0 2.17543846154 6.67836153846 71 71 A 195 GLN H A 194 ASP HA 1.0 2.14788461538 6.46711538462 72 72 A 194 ASP H A 193 ILE HA 1.0 2.14066153846 6.41173846154 73 73 A 193 ILE H A 192 HIS HBx 1.0 2.19117692308 6.79902307692 74 74 A 189 PHE HA A 190 LEU H 1.0 2.09529230769 6.06390769231 75 75 A 191 ASN H A 190 LEU HA 1.0 2.28874615385 7.54705384615 76 76 A 191 ASN H A 197 THR HA 1.0 2.18457692308 6.74842307692 77 77 A 192 HIS H A 193 ILE H 1.0 2.11631538462 6.22508461538 78 78 A 192 HIS H A 194 ASP H 1.0 2.24898461538 7.24221538462 79 79 A 191 ASN H A 196 THR H 1.0 2.21169230769 6.95630769231 80 80 A 194 ASP H A 196 THR H 1.0 2.18958461538 6.78681538462 81 81 A 193 ILE H A 196 THR H 1.0 2.24261538462 7.19338461538 82 82 A 177 TRP HA A 192 HIS H 1.0 2.19101538462 6.79778461538 83 83 A 192 HIS H A 191 ASN HA 1.0 2.08386923077 5.97633076923 84 84 A 192 HIS H A 191 ASN HBx 1.0 2.27547692308 7.44532307692 85 85 A 192 HIS H A 191 ASN HBy 1.0 2.24764615385 7.23195384615 86 86 A 194 ASP H A 193 ILE HD1% 1.0 2.28177692308 7.49362307692 87 87 A 194 ASP H A 193 ILE HG21 1.0 2.17862307692 6.70277692308 88 88 A 194 ASP H A 193 ILE HG21 1.0 2.06418461538 5.82541538462 89 89 A 194 ASP H A 193 ILE HB 1.0 1.95473076923 4.98626923077 90 90 A 196 THR HA A 197 THR H 1.0 1.99407692308 5.28792307692 91 91 A 197 THR HA A 198 THR H 1.0 2.09150769231 6.03489230769 92 92 A 198 THR H A 197 THR HB 1.0 2.14433076923 6.43986923077 93 93 A 198 THR H A 197 THR HG2% 1.0 2.24944615385 7.24575384615 94 94 A 197 THR H A 196 THR HG2% 1.0 2.15252307692 6.50267692308 95 95 A 198 THR HA A 199 TRP H 1.0 2.23276153846 7.11783846154 96 96 A 199 TRP H A 198 THR HG2% 1.0 2.21464615385 6.97895384615 97 97 A 200 GLN H A 201 ASP H 1.0 2.28581538462 7.52458461538 98 98 A 201 ASP H A 200 GLN HA 1.0 1.89004615385 4.49035384615 99 99 A 178 GLU H A 191 ASN HA 1.0 2.22579230769 7.06440769231 100 100 A 178 GLU H A 189 PHE HA 1.0 2.27180769231 7.41719230769 101 101 A 179 MET HBy A 190 LEU H 1.0 2.24111538462 7.18188461538 102 102 A 179 MET HBx A 190 LEU H 1.0 2.33420769231 7.89559230769 103 103 A 178 GLU H A 192 HIS H 1.0 2.27889230769 7.47150769231 104 104 A 196 THR H A 191 ASN HBy 1.0 2.17680000000 6.68880000000 105 105 A 188 TYR HD% A 189 PHE H 1.0 2.16496153846 6.59803846154 106 106 A 179 MET H A 178 GLU HGy 1.0 2.23216153846 7.11323846154 107 107 A 189 PHE H A 188 TYR HBx 1.0 2.10805384615 6.16174615385 108 108 A 191 ASN H A 190 LEU HDx% 1.0 2.21644615385 6.99275384615 109 109 A 188 TYR HD% A 198 THR H 1.0 2.18997692308 6.78982307692 110 110 A 190 LEU H A 189 PHE HBy 1.0 2.22189230769 7.03450769231 111 111 A 199 TRP H A 198 THR HB 1.0 2.34210000000 7.95610000000 112 112 A 179 MET HA A 189 PHE HA 1.0 2.37650769231 8.21989230769 113 113 A 179 MET HA A 189 PHE HA 1.0 2.35908461538 8.08631538462 114 114 A 190 LEU HA A 197 THR HA 1.0 2.33300769231 7.88639230769 115 115 A 171 VAL HA A 172 PRO HDy 1.0 2.02550769231 5.52889230769 116 116 A 171 VAL HA A 172 PRO HDx 1.0 1.96804615385 5.08835384615 117 117 A 174 PRO HDy A 173 LEU HDx% 1.0 2.28563076923 7.52316923077 118 118 A 174 PRO HDy A 173 LEU HDy% 1.0 2.17846153846 6.70153846154 119 119 A 173 LEU HDx% A 174 PRO HDx 1.0 2.25558461538 7.29281538462 120 120 A 173 LEU HDy% A 174 PRO HDx 1.0 2.17686923077 6.68933076923 121 121 A 172 PRO HDx A 171 VAL HGx% 1.0 2.09681538462 6.07558461538 122 122 A 172 PRO HDy A 171 VAL HGx% 1.0 2.16826153846 6.62333846154 123 123 A 174 PRO HDy A 173 LEU HA 1.0 2.01955384615 5.48324615385 124 124 A 174 PRO HDx A 173 LEU HA 1.0 2.05213846154 5.73306153846 125 125 A 182 THR HG2% A 199 TRP HZ2 1.0 2.23735384615 7.15304615385 126 126 A 182 THR HG2% A 199 TRP HH2 1.0 2.07233076923 5.88786923077 127 127 A 188 TYR HD% A 182 THR HG2% 1.0 2.14636153846 6.45543846154 128 128 A 182 THR HG2% A 199 TRP HZ3 1.0 2.10200769231 6.11539230769 129 129 A 182 THR HG2% A 188 TYR HE% 1.0 2.16540000000 6.60140000000 130 130 A 180 ALA HB% A 178 GLU HGy 1.0 2.30076923077 7.63923076923 131 131 A 178 GLU HBy A 180 ALA HB% 1.0 2.31182307692 7.72397692308 132 132 A 178 GLU HBx A 180 ALA HB% 1.0 2.31290769231 7.73229230769 133 133 A 191 ASN H A 190 LEU HG 1.0 2.13630000000 6.37830000000 134 134 A 191 ASN H A 190 LEU HBx 1.0 2.15183076923 6.49736923077 135 135 A 191 ASN H A 190 LEU HDy% 1.0 2.22780000000 7.07980000000 136 136 A 188 TYR HD% A 190 LEU HG 1.0 2.07623076923 5.91776923077 137 137 A 188 TYR HD% A 190 LEU HDx% 1.0 2.25939230769 7.32200769231 138 138 A 188 TYR HD% A 190 LEU HDy% 1.0 2.24402307692 7.20417692308 139 139 A 188 TYR HD% A 190 LEU HBy 1.0 2.21614615385 6.99045384615 140 140 A 188 TYR HE% A 190 LEU HDy% 1.0 2.20553076923 6.90906923077 141 141 A 190 LEU HDx% A 188 TYR HE% 1.0 2.19373846154 6.81866153846 142 142 A 188 TYR HE% A 190 LEU HBx 1.0 2.21783076923 7.00336923077 143 143 A 188 TYR HE% A 190 LEU HG 1.0 2.06453076923 5.82806923077 144 144 A 188 TYR HE% A 190 LEU HBy 1.0 2.17015384615 6.63784615385 145 145 A 178 GLU HBy A 190 LEU HDx% 1.0 2.36226923077 8.11073076923 146 146 A 178 GLU HBx A 190 LEU HDx% 1.0 2.25966923077 7.32413076923 147 147 A 174 PRO HDy B 202 THR HG1 1.0 2.22680769231 7.07219230769 148 148 A 174 PRO HDx B 202 THR HG1 1.0 2.21483076923 6.98036923077 149 149 B 204 PRO HA B 205 HIS H 1.0 2.08601538462 5.99278461538 150 150 B 205 HIS H B 204 PRO HGx 1.0 2.11343076923 6.20296923077 151 151 B 205 HIS H B 204 PRO HBx 1.0 2.15810769231 6.54549230769 152 152 A 173 LEU HDy% A 189 PHE HE% 1.0 2.12972307692 6.32787692308 153 153 A 173 LEU HDy% A 189 PHE HD% 1.0 2.16346153846 6.58653846154 154 154 A 173 LEU HDx% A 189 PHE HE% 1.0 2.18550000000 6.75550000000 155 155 A 173 LEU HDx% A 189 PHE HD% 1.0 2.18261538462 6.73338461538 156 156 A 179 MET H A 178 GLU HGx 1.0 2.17816153846 6.69923846154 157 157 A 189 PHE H A 188 TYR HBy 1.0 2.15501538462 6.52178461538 158 158 A 179 MET HA A 189 PHE HE% 1.0 2.30524615385 7.67355384615 159 159 A 179 MET HA A 189 PHE HD% 1.0 2.25851538462 7.31528461538 160 160 A 190 LEU HDy% A 192 HIS HD1 1.0 2.24720769231 7.22859230769 161 161 A 190 LEU HDy% A 192 HIS HE1 1.0 2.17950000000 6.70950000000 162 162 A 190 LEU HDx% A 192 HIS HD1 1.0 2.23010769231 7.09749230769 163 163 A 190 LEU HBy A 192 HIS HD1 1.0 2.14975384615 6.48144615385 164 164 A 197 THR H A 196 THR HB 1.0 2.02440000000 5.52040000000 165 165 A 191 ASN HBx A 177 TRP HH2 1.0 2.25302307692 7.27317692308 166 166 A 191 ASN HBx A 177 TRP HZ2 1.0 2.23061538462 7.10138461538 167 167 A 191 ASN HBx A 177 TRP HZ3 1.0 2.23038461538 7.09961538462 168 168 B 202 THR HG1 A 177 TRP HZ2 1.0 2.22793846154 7.08086153846 169 169 A 174 PRO HGy A 177 TRP HD1 1.0 1.93970769231 4.87109230769 170 170 A 174 PRO HBy A 177 TRP HH2 1.0 2.15060769231 6.48799230769 171 171 A 174 PRO HGy A 177 TRP HH2 1.0 2.14520769231 6.44659230769 172 172 A 174 PRO HGy A 177 TRP HZ2 1.0 2.24473846154 7.20966153846 173 173 A 174 PRO HBy A 177 TRP HZ2 1.0 2.18342307692 6.73957692308 174 174 A 177 TRP HD1 A 174 PRO HDy 1.0 2.16445384615 6.59414615385 175 175 A 177 TRP HD1 A 174 PRO HDx 1.0 2.11896923077 6.24543076923 176 176 A 195 GLN H A 194 ASP HBy 1.0 2.19302307692 6.81317692308 177 177 A 177 TRP HBx A 173 LEU HDx% 1.0 2.20922307692 6.93737692308 178 178 A 177 TRP HBx A 173 LEU HDy% 1.0 2.20377692308 6.89562307692 179 179 A 174 PRO HBy A 177 TRP HE3 1.0 1.96823076923 5.08976923077 180 180 A 172 PRO HA A 173 LEU H 1.0 1.90606153846 4.61313846154 181 181 A 180 ALA HB% A 188 TYR HE% 1.0 2.18586923077 6.75833076923 182 182 A 180 ALA HB% A 188 TYR HD% 1.0 2.24430000000 7.20630000000 183 183 A 182 THR HG2% A 183 SER H 1.0 2.23322307692 7.12137692308 184 184 A 183 SER H A 182 THR HA 1.0 2.21187692308 6.95772307692 185 185 A 187 ARG H A 186 GLN HGy 1.0 2.22770769231 7.07909230769 186 186 A 190 LEU HDx% A 192 HIS HE1 1.0 2.14435384615 6.44004615385 187 187 A 173 LEU H A 172 PRO HGx 1.0 2.08137692308 5.95722307692 188 188 A 173 LEU H A 172 PRO HBy 1.0 2.21540769231 6.98479230769 189 189 A 173 LEU H A 172 PRO HBx 1.0 2.01055384615 5.41424615385 190 190 A 177 TRP HBx A 173 LEU HDx% 1.0 2.20922307692 6.93737692308 191 191 A 177 TRP HBx A 173 LEU HDy% 1.0 2.20377692308 6.89562307692 192 192 A 182 THR H A 181 LYS HGy 1.0 2.14696153846 6.46003846154 193 193 A 182 THR H A 181 LYS HDx 1.0 2.21709230769 6.99770769231 194 194 A 182 THR H A 181 LYS HDy 1.0 2.21981538462 7.01858461538 195 195 A 188 TYR H A 187 ARG HGy 1.0 2.21113846154 6.95206153846 196 196 A 188 TYR H A 187 ARG HBy 1.0 2.06206153846 5.80913846154 197 197 A 183 SER HA A 184 SER H 1.0 2.19422307692 6.82237692308 198 198 A 190 LEU H A 189 PHE HBx 1.0 2.24192307692 7.18807692308 199 199 A 195 GLN H A 194 ASP HBx 1.0 2.23216153846 7.11323846154 200 200 A 196 THR H A 194 ASP HBx 1.0 2.25696923077 7.30343076923 201 201 A 196 THR H A 195 GLN HGx 1.0 2.22703846154 7.07396153846 202 202 A 196 THR H A 195 GLN HBx 1.0 2.18607692308 6.75992307692 203 203 B 203 TYR H B 202 THR HA 1.0 2.15201538462 6.49878461538 204 204 A 196 THR H A 195 GLN HA 1.0 2.07004615385 5.87035384615 205 205 A 177 TRP HBy A 173 LEU HDx% 1.0 2.22740769231 7.07679230769 206 206 A 177 TRP HBy A 173 LEU HDy% 1.0 2.23066153846 7.10173846154 207 207 A 177 TRP HBy A 174 PRO HBx 1.0 2.12173846154 6.26666153846 208 208 A 177 TRP HBx A 174 PRO HBx 1.0 2.13886153846 6.39793846154 209 209 A 196 THR HG2% A 194 ASP HBy 1.0 2.18755384615 6.77124615385 210 210 A 196 THR HG2% A 194 ASP HBx 1.0 2.19032307692 6.79247692308 211 211 A 173 LEU HDy% B 203 TYR HDy 1.0 2.17153846154 6.64846153846 212 212 A 173 LEU HDy% B 203 TYR HDx 1.0 2.20368461538 6.89491538462 213 213 A 172 PRO HDy A 171 VAL HGy% 1.0 2.15764615385 6.54195384615 214 214 A 172 PRO HDx A 171 VAL HGy% 1.0 2.10549230769 6.14210769231 215 215 B 203 TYR HDy A 171 VAL HGy% 1.0 2.19186923077 6.80433076923 216 216 B 203 TYR HDx A 171 VAL HGy% 1.0 2.15997692308 6.55982307692 217 217 A 196 THR HG2% A 177 TRP HZ2 1.0 2.32020000000 7.78820000000 218 218 A 181 LYS HA A 188 TYR HE% 1.0 2.23276153846 7.11783846154 219 219 A 181 LYS HA A 188 TYR HD% 1.0 2.19406153846 6.82113846154 220 220 A 189 PHE HBy A 177 TRP HE3 1.0 2.09766923077 6.08213076923 221 221 A 177 TRP HE3 A 189 PHE HBx 1.0 2.09683846154 6.07576153846 222 222 A 189 PHE HBy A 177 TRP HZ3 1.0 2.23950000000 7.16950000000 223 223 A 177 TRP HZ3 A 189 PHE HBx 1.0 2.20550769231 6.90889230769 224 224 A 196 THR HG2% A 177 TRP HZ3 1.0 2.24106923077 7.18153076923 225 225 A 173 LEU HDx% A 189 PHE HZ 1.0 2.25011538462 7.25088461538 226 226 A 173 LEU HDy% A 189 PHE HZ 1.0 2.23232307692 7.11447692308 227 227 A 189 PHE HE% A 181 LYS HBx 1.0 2.19867692308 6.85652307692 228 228 A 189 PHE HE% A 181 LYS HGy 1.0 2.17626923077 6.68473076923 229 229 A 179 MET HBx A 189 PHE HE% 1.0 2.19600000000 6.83600000000 230 230 A 179 MET HBy A 189 PHE HE% 1.0 2.12261538462 6.27338461538 231 231 A 179 MET HBy A 189 PHE HD% 1.0 2.18132307692 6.72347692308 232 232 A 176 GLY HAx A 193 ILE HG21 1.0 2.23363846154 7.12456153846 233 233 A 176 GLY HAx A 193 ILE HG21 1.0 2.21640000000 6.99240000000 234 234 A 176 GLY HAy A 193 ILE HG21 1.0 2.15125384615 6.49294615385 235 235 A 176 GLY HAy A 193 ILE HG21 1.0 2.23232307692 7.11447692308 236 236 A 189 PHE HE% A 201 ASP HA 1.0 2.11003846154 6.17696153846 237 237 A 189 PHE HE% B 203 TYR HDx 1.0 2.12820000000 6.31620000000 238 238 A 189 PHE HE% B 203 TYR HDy 1.0 2.24891538462 7.24168461538 239 239 A 189 PHE HD% B 203 TYR HDx 1.0 2.18658461538 6.76381538462 240 240 A 189 PHE HD% A 201 ASP HA 1.0 2.16175384615 6.57344615385 241 241 A 179 MET HBy A 189 PHE HD% 1.0 2.15891538462 6.55168461538 242 242 A 190 LEU HG A 192 HIS HE1 1.0 2.20278461538 6.88801538462 243 243 A 190 LEU HBy A 192 HIS HE1 1.0 2.19219230769 6.80680769231 stop_ save_