data_27326 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27326 _Entry.Title ; Yes1 SH2 domain in complex with Cdc37-derived phosphopeptide ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-12-03 _Entry.Accession_date 2017-12-03 _Entry.Last_release_date 2017-12-04 _Entry.Original_release_date 2017-12-04 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ashleigh Bachman . . . . 27326 2 Dimitra Keramisanou . . . . 27326 3 Vasantha 'Kumar M. V.' . . . . 27326 4 Ioannis Gelis . . . . 27326 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27326 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 204 27326 '15N chemical shifts' 107 27326 '1H chemical shifts' 107 27326 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2018-03-22 2017-12-03 update BMRB 'update entry citation' 27326 1 . . 2018-01-16 2017-12-03 original author 'original release' 27326 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27325 'Yes1-SH2 (SH2 domain of Yes1 kinase)' 27326 BMRB 27327 'Yes1-SH3 (Yes1 kinase SH3 domain)' 27326 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27326 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41467-017-02711-w _Citation.PubMed_ID 29343704 _Citation.Full_citation . _Citation.Title ; Phosphorylation induced cochaperone unfolding promotes kinase recruitment and client class-specific Hsp90 phosphorylation ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Commun.' _Citation.Journal_name_full 'Nature communications' _Citation.Journal_volume 9 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 2041-1723 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 265 _Citation.Page_last 265 _Citation.Year 2018 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ashleigh Bachman A. B. . . 27326 1 2 Dimitra Keramisanou D. . . . 27326 1 3 Wanping Xu W. . . . 27326 1 4 Kristin Beebe K. . . . 27326 1 5 Michael Moses M. A. . . 27326 1 6 M 'Vasantha Kumar' M. V. . . 27326 1 7 Geoffrey Gray G. . . . 27326 1 8 'Radwan Ebna' Noor R. E. . . 27326 1 9 Arjan 'van der Vaart' A. . . . 27326 1 10 Len Neckers L. . . . 27326 1 11 Ioannis Gelis I. . . . 27326 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27326 _Assembly.ID 1 _Assembly.Name 'Yes1-SH2 (Yes1 SH2 domain in complex with Cdc37-derived phosphopeptide)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'SH2 domain' 1 $Yes1-SH2 A . yes native no no . . . 27326 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Yes1-SH2 _Entity.Sf_category entity _Entity.Sf_framecode Yes1-SH2 _Entity.Entry_ID 27326 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Yes1-SH2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SIQAEEWYFGKMGRKDAERL LLNPGNQRGIFLVRESETTK GAYSLSIRDWDEIRGDNVKH YKIRKLDNGGYYITTRAQFD TLQKLVKHYTEHADGLCHKL TTVCPTVKPQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 111 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Yes1-SH2 in complex with Cdc37-derived phosphopeptide' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 152 SER . 27326 1 2 153 ILE . 27326 1 3 154 GLN . 27326 1 4 155 ALA . 27326 1 5 156 GLU . 27326 1 6 157 GLU . 27326 1 7 158 TRP . 27326 1 8 159 TYR . 27326 1 9 160 PHE . 27326 1 10 161 GLY . 27326 1 11 162 LYS . 27326 1 12 163 MET . 27326 1 13 164 GLY . 27326 1 14 165 ARG . 27326 1 15 166 LYS . 27326 1 16 167 ASP . 27326 1 17 168 ALA . 27326 1 18 169 GLU . 27326 1 19 170 ARG . 27326 1 20 171 LEU . 27326 1 21 172 LEU . 27326 1 22 173 LEU . 27326 1 23 174 ASN . 27326 1 24 175 PRO . 27326 1 25 176 GLY . 27326 1 26 177 ASN . 27326 1 27 178 GLN . 27326 1 28 179 ARG . 27326 1 29 180 GLY . 27326 1 30 181 ILE . 27326 1 31 182 PHE . 27326 1 32 183 LEU . 27326 1 33 184 VAL . 27326 1 34 185 ARG . 27326 1 35 186 GLU . 27326 1 36 187 SER . 27326 1 37 188 GLU . 27326 1 38 189 THR . 27326 1 39 190 THR . 27326 1 40 191 LYS . 27326 1 41 192 GLY . 27326 1 42 193 ALA . 27326 1 43 194 TYR . 27326 1 44 195 SER . 27326 1 45 196 LEU . 27326 1 46 197 SER . 27326 1 47 198 ILE . 27326 1 48 199 ARG . 27326 1 49 200 ASP . 27326 1 50 201 TRP . 27326 1 51 202 ASP . 27326 1 52 203 GLU . 27326 1 53 204 ILE . 27326 1 54 205 ARG . 27326 1 55 206 GLY . 27326 1 56 207 ASP . 27326 1 57 208 ASN . 27326 1 58 209 VAL . 27326 1 59 210 LYS . 27326 1 60 211 HIS . 27326 1 61 212 TYR . 27326 1 62 213 LYS . 27326 1 63 214 ILE . 27326 1 64 215 ARG . 27326 1 65 216 LYS . 27326 1 66 217 LEU . 27326 1 67 218 ASP . 27326 1 68 219 ASN . 27326 1 69 220 GLY . 27326 1 70 221 GLY . 27326 1 71 222 TYR . 27326 1 72 223 TYR . 27326 1 73 224 ILE . 27326 1 74 225 THR . 27326 1 75 226 THR . 27326 1 76 227 ARG . 27326 1 77 228 ALA . 27326 1 78 229 GLN . 27326 1 79 230 PHE . 27326 1 80 231 ASP . 27326 1 81 232 THR . 27326 1 82 233 LEU . 27326 1 83 234 GLN . 27326 1 84 235 LYS . 27326 1 85 236 LEU . 27326 1 86 237 VAL . 27326 1 87 238 LYS . 27326 1 88 239 HIS . 27326 1 89 240 TYR . 27326 1 90 241 THR . 27326 1 91 242 GLU . 27326 1 92 243 HIS . 27326 1 93 244 ALA . 27326 1 94 245 ASP . 27326 1 95 246 GLY . 27326 1 96 247 LEU . 27326 1 97 248 CYS . 27326 1 98 249 HIS . 27326 1 99 250 LYS . 27326 1 100 251 LEU . 27326 1 101 252 THR . 27326 1 102 253 THR . 27326 1 103 254 VAL . 27326 1 104 255 CYS . 27326 1 105 256 PRO . 27326 1 106 257 THR . 27326 1 107 258 VAL . 27326 1 108 259 LYS . 27326 1 109 260 PRO . 27326 1 110 261 GLN . 27326 1 111 263 GLY . 27326 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 27326 1 . ILE 2 2 27326 1 . GLN 3 3 27326 1 . ALA 4 4 27326 1 . GLU 5 5 27326 1 . GLU 6 6 27326 1 . TRP 7 7 27326 1 . TYR 8 8 27326 1 . PHE 9 9 27326 1 . GLY 10 10 27326 1 . LYS 11 11 27326 1 . MET 12 12 27326 1 . GLY 13 13 27326 1 . ARG 14 14 27326 1 . LYS 15 15 27326 1 . ASP 16 16 27326 1 . ALA 17 17 27326 1 . GLU 18 18 27326 1 . ARG 19 19 27326 1 . LEU 20 20 27326 1 . LEU 21 21 27326 1 . LEU 22 22 27326 1 . ASN 23 23 27326 1 . PRO 24 24 27326 1 . GLY 25 25 27326 1 . ASN 26 26 27326 1 . GLN 27 27 27326 1 . ARG 28 28 27326 1 . GLY 29 29 27326 1 . ILE 30 30 27326 1 . PHE 31 31 27326 1 . LEU 32 32 27326 1 . VAL 33 33 27326 1 . ARG 34 34 27326 1 . GLU 35 35 27326 1 . SER 36 36 27326 1 . GLU 37 37 27326 1 . THR 38 38 27326 1 . THR 39 39 27326 1 . LYS 40 40 27326 1 . GLY 41 41 27326 1 . ALA 42 42 27326 1 . TYR 43 43 27326 1 . SER 44 44 27326 1 . LEU 45 45 27326 1 . SER 46 46 27326 1 . ILE 47 47 27326 1 . ARG 48 48 27326 1 . ASP 49 49 27326 1 . TRP 50 50 27326 1 . ASP 51 51 27326 1 . GLU 52 52 27326 1 . ILE 53 53 27326 1 . ARG 54 54 27326 1 . GLY 55 55 27326 1 . ASP 56 56 27326 1 . ASN 57 57 27326 1 . VAL 58 58 27326 1 . LYS 59 59 27326 1 . HIS 60 60 27326 1 . TYR 61 61 27326 1 . LYS 62 62 27326 1 . ILE 63 63 27326 1 . ARG 64 64 27326 1 . LYS 65 65 27326 1 . LEU 66 66 27326 1 . ASP 67 67 27326 1 . ASN 68 68 27326 1 . GLY 69 69 27326 1 . GLY 70 70 27326 1 . TYR 71 71 27326 1 . TYR 72 72 27326 1 . ILE 73 73 27326 1 . THR 74 74 27326 1 . THR 75 75 27326 1 . ARG 76 76 27326 1 . ALA 77 77 27326 1 . GLN 78 78 27326 1 . PHE 79 79 27326 1 . ASP 80 80 27326 1 . THR 81 81 27326 1 . LEU 82 82 27326 1 . GLN 83 83 27326 1 . LYS 84 84 27326 1 . LEU 85 85 27326 1 . VAL 86 86 27326 1 . LYS 87 87 27326 1 . HIS 88 88 27326 1 . TYR 89 89 27326 1 . THR 90 90 27326 1 . GLU 91 91 27326 1 . HIS 92 92 27326 1 . ALA 93 93 27326 1 . ASP 94 94 27326 1 . GLY 95 95 27326 1 . LEU 96 96 27326 1 . CYS 97 97 27326 1 . HIS 98 98 27326 1 . LYS 99 99 27326 1 . LEU 100 100 27326 1 . THR 101 101 27326 1 . THR 102 102 27326 1 . VAL 103 103 27326 1 . CYS 104 104 27326 1 . PRO 105 105 27326 1 . THR 106 106 27326 1 . VAL 107 107 27326 1 . LYS 108 108 27326 1 . PRO 109 109 27326 1 . GLN 110 110 27326 1 . GLY 111 111 27326 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27326 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Yes1-SH2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27326 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27326 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Yes1-SH2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pGEX6P1 . . . 27326 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27326 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 Yes1-SH2 '[U-100% 13C; U-100% 15N]' . . 1 $Yes1-SH2 . . 0.5 . . mM . . . . 27326 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27326 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 27326 1 pH 7.5 . pH 27326 1 pressure 1 . atm 27326 1 temperature 273 . K 27326 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27326 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27326 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27326 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27326 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'direct drive' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27326 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Agilent 'direct drive' . 800 . . . 27326 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27326 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27326 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27326 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27326 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27326 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27326 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 27326 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27326 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27326 1 2 '3D HNCA' . . . 27326 1 3 '3D HNCACB' . . . 27326 1 4 '3D HN(CO)CA' . . . 27326 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER H H 1 8.391 . . . . . . . . 152 S HN . 27326 1 2 . 1 1 1 1 SER CA C 13 58.535 . . . . . . . . 152 S CA . 27326 1 3 . 1 1 1 1 SER CB C 13 63.784 . . . . . . . . 152 S CB . 27326 1 4 . 1 1 1 1 SER N N 15 117.838 . . . . . . . . 152 S N . 27326 1 5 . 1 1 2 2 ILE H H 1 8.145 . . . . . . . . 153 I HN . 27326 1 6 . 1 1 2 2 ILE CA C 13 62.294 . . . . . . . . 153 I CA . 27326 1 7 . 1 1 2 2 ILE CB C 13 38.349 . . . . . . . . 153 I CB . 27326 1 8 . 1 1 2 2 ILE N N 15 122.178 . . . . . . . . 153 I N . 27326 1 9 . 1 1 3 3 GLN H H 1 7.834 . . . . . . . . 154 Q HN . 27326 1 10 . 1 1 3 3 GLN CA C 13 57.169 . . . . . . . . 154 Q CA . 27326 1 11 . 1 1 3 3 GLN CB C 13 28.393 . . . . . . . . 154 Q CB . 27326 1 12 . 1 1 3 3 GLN N N 15 118.942 . . . . . . . . 154 Q N . 27326 1 13 . 1 1 4 4 ALA H H 1 7.722 . . . . . . . . 155 A HN . 27326 1 14 . 1 1 4 4 ALA CA C 13 51.960 . . . . . . . . 155 A CA . 27326 1 15 . 1 1 4 4 ALA CB C 13 19.317 . . . . . . . . 155 A CB . 27326 1 16 . 1 1 4 4 ALA N N 15 121.130 . . . . . . . . 155 A N . 27326 1 17 . 1 1 5 5 GLU H H 1 7.532 . . . . . . . . 156 E HN . 27326 1 18 . 1 1 5 5 GLU CA C 13 55.424 . . . . . . . . 156 E CA . 27326 1 19 . 1 1 5 5 GLU CB C 13 28.093 . . . . . . . . 156 E CB . 27326 1 20 . 1 1 5 5 GLU N N 15 118.761 . . . . . . . . 156 E N . 27326 1 21 . 1 1 6 6 GLU H H 1 9.002 . . . . . . . . 157 E HN . 27326 1 22 . 1 1 6 6 GLU CA C 13 58.701 . . . . . . . . 157 E CA . 27326 1 23 . 1 1 6 6 GLU CB C 13 29.795 . . . . . . . . 157 E CB . 27326 1 24 . 1 1 6 6 GLU N N 15 122.653 . . . . . . . . 157 E N . 27326 1 25 . 1 1 7 7 TRP H H 1 6.197 . . . . . . . . 158 W HN . 27326 1 26 . 1 1 7 7 TRP CA C 13 53.513 . . . . . . . . 158 W CA . 27326 1 27 . 1 1 7 7 TRP CB C 13 30.640 . . . . . . . . 158 W CB . 27326 1 28 . 1 1 7 7 TRP N N 15 108.709 . . . . . . . . 158 W N . 27326 1 29 . 1 1 8 8 TYR H H 1 7.501 . . . . . . . . 159 Y HN . 27326 1 30 . 1 1 8 8 TYR CA C 13 58.759 . . . . . . . . 159 Y CA . 27326 1 31 . 1 1 8 8 TYR CB C 13 38.325 . . . . . . . . 159 Y CB . 27326 1 32 . 1 1 8 8 TYR N N 15 121.749 . . . . . . . . 159 Y N . 27326 1 33 . 1 1 9 9 PHE H H 1 9.424 . . . . . . . . 160 F HN . 27326 1 34 . 1 1 9 9 PHE CA C 13 57.097 . . . . . . . . 160 F CA . 27326 1 35 . 1 1 9 9 PHE CB C 13 38.815 . . . . . . . . 160 F CB . 27326 1 36 . 1 1 9 9 PHE N N 15 129.568 . . . . . . . . 160 F N . 27326 1 37 . 1 1 10 10 GLY H H 1 5.511 . . . . . . . . 161 G HN . 27326 1 38 . 1 1 10 10 GLY CA C 13 47.409 . . . . . . . . 161 G CA . 27326 1 39 . 1 1 10 10 GLY N N 15 103.801 . . . . . . . . 161 G N . 27326 1 40 . 1 1 11 11 LYS H H 1 8.652 . . . . . . . . 162 K HN . 27326 1 41 . 1 1 11 11 LYS CA C 13 56.824 . . . . . . . . 162 K CA . 27326 1 42 . 1 1 11 11 LYS CB C 13 31.339 . . . . . . . . 162 K CB . 27326 1 43 . 1 1 11 11 LYS N N 15 126.395 . . . . . . . . 162 K N . 27326 1 44 . 1 1 12 12 MET H H 1 7.704 . . . . . . . . 163 M HN . 27326 1 45 . 1 1 12 12 MET CA C 13 56.096 . . . . . . . . 163 M CA . 27326 1 46 . 1 1 12 12 MET CB C 13 35.707 . . . . . . . . 163 M CB . 27326 1 47 . 1 1 12 12 MET N N 15 126.996 . . . . . . . . 163 M N . 27326 1 48 . 1 1 13 13 GLY H H 1 9.052 . . . . . . . . 164 G HN . 27326 1 49 . 1 1 13 13 GLY CA C 13 44.951 . . . . . . . . 164 G CA . 27326 1 50 . 1 1 13 13 GLY N N 15 114.482 . . . . . . . . 164 G N . 27326 1 51 . 1 1 14 14 ARG H H 1 8.652 . . . . . . . . 165 R HN . 27326 1 52 . 1 1 14 14 ARG CA C 13 60.522 . . . . . . . . 165 R CA . 27326 1 53 . 1 1 14 14 ARG CB C 13 31.203 . . . . . . . . 165 R CB . 27326 1 54 . 1 1 14 14 ARG N N 15 121.674 . . . . . . . . 165 R N . 27326 1 55 . 1 1 15 15 LYS H H 1 8.702 . . . . . . . . 166 K HN . 27326 1 56 . 1 1 15 15 LYS CA C 13 59.523 . . . . . . . . 166 K CA . 27326 1 57 . 1 1 15 15 LYS CB C 13 31.244 . . . . . . . . 166 K CB . 27326 1 58 . 1 1 15 15 LYS N N 15 117.752 . . . . . . . . 166 K N . 27326 1 59 . 1 1 16 16 ASP H H 1 7.966 . . . . . . . . 167 D HN . 27326 1 60 . 1 1 16 16 ASP CA C 13 57.291 . . . . . . . . 167 D CA . 27326 1 61 . 1 1 16 16 ASP CB C 13 40.445 . . . . . . . . 167 D CB . 27326 1 62 . 1 1 16 16 ASP N N 15 120.351 . . . . . . . . 167 D N . 27326 1 63 . 1 1 17 17 ALA H H 1 8.152 . . . . . . . . 168 A HN . 27326 1 64 . 1 1 17 17 ALA CA C 13 55.187 . . . . . . . . 168 A CA . 27326 1 65 . 1 1 17 17 ALA CB C 13 18.702 . . . . . . . . 168 A CB . 27326 1 66 . 1 1 17 17 ALA N N 15 122.252 . . . . . . . . 168 A N . 27326 1 67 . 1 1 18 18 GLU H H 1 8.438 . . . . . . . . 169 E HN . 27326 1 68 . 1 1 18 18 GLU CA C 13 60.642 . . . . . . . . 169 E CA . 27326 1 69 . 1 1 18 18 GLU CB C 13 28.673 . . . . . . . . 169 E CB . 27326 1 70 . 1 1 18 18 GLU N N 15 115.799 . . . . . . . . 169 E N . 27326 1 71 . 1 1 19 19 ARG H H 1 7.791 . . . . . . . . 170 R HN . 27326 1 72 . 1 1 19 19 ARG CA C 13 59.333 . . . . . . . . 170 R CA . 27326 1 73 . 1 1 19 19 ARG CB C 13 30.012 . . . . . . . . 170 R CB . 27326 1 74 . 1 1 19 19 ARG N N 15 117.288 . . . . . . . . 170 R N . 27326 1 75 . 1 1 20 20 LEU H H 1 7.469 . . . . . . . . 171 L HN . 27326 1 76 . 1 1 20 20 LEU CA C 13 57.595 . . . . . . . . 171 L CA . 27326 1 77 . 1 1 20 20 LEU CB C 13 42.531 . . . . . . . . 171 L CB . 27326 1 78 . 1 1 20 20 LEU N N 15 117.859 . . . . . . . . 171 L N . 27326 1 79 . 1 1 21 21 LEU H H 1 8.246 . . . . . . . . 172 L HN . 27326 1 80 . 1 1 21 21 LEU CA C 13 57.880 . . . . . . . . 172 L CA . 27326 1 81 . 1 1 21 21 LEU CB C 13 43.216 . . . . . . . . 172 L CB . 27326 1 82 . 1 1 21 21 LEU N N 15 119.194 . . . . . . . . 172 L N . 27326 1 83 . 1 1 22 22 LEU H H 1 8.113 . . . . . . . . 173 L HN . 27326 1 84 . 1 1 22 22 LEU CA C 13 55.529 . . . . . . . . 173 L CA . 27326 1 85 . 1 1 22 22 LEU CB C 13 40.332 . . . . . . . . 173 L CB . 27326 1 86 . 1 1 22 22 LEU N N 15 117.562 . . . . . . . . 173 L N . 27326 1 87 . 1 1 23 23 ASN H H 1 6.949 . . . . . . . . 174 N HN . 27326 1 88 . 1 1 23 23 ASN CA C 13 52.873 . . . . . . . . 174 N CA . 27326 1 89 . 1 1 23 23 ASN CB C 13 38.712 . . . . . . . . 174 N CB . 27326 1 90 . 1 1 23 23 ASN N N 15 121.976 . . . . . . . . 174 N N . 27326 1 91 . 1 1 24 24 PRO CA C 13 64.031 . . . . . . . . 175 P CA . 27326 1 92 . 1 1 25 25 GLY H H 1 8.704 . . . . . . . . 176 G HN . 27326 1 93 . 1 1 25 25 GLY CA C 13 45.074 . . . . . . . . 176 G CA . 27326 1 94 . 1 1 25 25 GLY N N 15 109.320 . . . . . . . . 176 G N . 27326 1 95 . 1 1 26 26 ASN H H 1 7.181 . . . . . . . . 177 N HN . 27326 1 96 . 1 1 26 26 ASN CA C 13 52.438 . . . . . . . . 177 N CA . 27326 1 97 . 1 1 26 26 ASN CB C 13 39.634 . . . . . . . . 177 N CB . 27326 1 98 . 1 1 26 26 ASN N N 15 117.909 . . . . . . . . 177 N N . 27326 1 99 . 1 1 27 27 GLN H H 1 7.873 . . . . . . . . 178 Q HN . 27326 1 100 . 1 1 27 27 GLN CA C 13 54.458 . . . . . . . . 178 Q CA . 27326 1 101 . 1 1 27 27 GLN N N 15 119.183 . . . . . . . . 178 Q N . 27326 1 102 . 1 1 28 28 ARG H H 1 8.145 . . . . . . . . 179 R HN . 27326 1 103 . 1 1 28 28 ARG CA C 13 57.786 . . . . . . . . 179 R CA . 27326 1 104 . 1 1 28 28 ARG CB C 13 31.004 . . . . . . . . 179 R CB . 27326 1 105 . 1 1 28 28 ARG N N 15 118.262 . . . . . . . . 179 R N . 27326 1 106 . 1 1 29 29 GLY H H 1 8.814 . . . . . . . . 180 G HN . 27326 1 107 . 1 1 29 29 GLY CA C 13 45.943 . . . . . . . . 180 G CA . 27326 1 108 . 1 1 29 29 GLY N N 15 112.187 . . . . . . . . 180 G N . 27326 1 109 . 1 1 30 30 ILE H H 1 7.181 . . . . . . . . 181 I HN . 27326 1 110 . 1 1 30 30 ILE CA C 13 61.573 . . . . . . . . 181 I CA . 27326 1 111 . 1 1 30 30 ILE N N 15 117.940 . . . . . . . . 181 I N . 27326 1 112 . 1 1 31 31 PHE H H 1 7.633 . . . . . . . . 182 F HN . 27326 1 113 . 1 1 31 31 PHE CA C 13 55.732 . . . . . . . . 182 F CA . 27326 1 114 . 1 1 31 31 PHE N N 15 117.902 . . . . . . . . 182 F N . 27326 1 115 . 1 1 32 32 LEU H H 1 8.765 . . . . . . . . 183 L HN . 27326 1 116 . 1 1 32 32 LEU CA C 13 54.908 . . . . . . . . 183 L CA . 27326 1 117 . 1 1 32 32 LEU CB C 13 45.182 . . . . . . . . 183 L CB . 27326 1 118 . 1 1 32 32 LEU N N 15 113.713 . . . . . . . . 183 L N . 27326 1 119 . 1 1 33 33 VAL H H 1 9.072 . . . . . . . . 184 V HN . 27326 1 120 . 1 1 33 33 VAL CA C 13 61.091 . . . . . . . . 184 V CA . 27326 1 121 . 1 1 33 33 VAL CB C 13 33.939 . . . . . . . . 184 V CB . 27326 1 122 . 1 1 33 33 VAL N N 15 120.309 . . . . . . . . 184 V N . 27326 1 123 . 1 1 34 34 ARG H H 1 9.204 . . . . . . . . 185 R HN . 27326 1 124 . 1 1 34 34 ARG CA C 13 52.960 . . . . . . . . 185 R CA . 27326 1 125 . 1 1 34 34 ARG CB C 13 33.928 . . . . . . . . 185 R CB . 27326 1 126 . 1 1 34 34 ARG N N 15 123.364 . . . . . . . . 185 R N . 27326 1 127 . 1 1 35 35 GLU H H 1 8.826 . . . . . . . . 186 E HN . 27326 1 128 . 1 1 35 35 GLU CA C 13 58.184 . . . . . . . . 186 E CA . 27326 1 129 . 1 1 35 35 GLU CB C 13 30.434 . . . . . . . . 186 E CB . 27326 1 130 . 1 1 35 35 GLU N N 15 121.688 . . . . . . . . 186 E N . 27326 1 131 . 1 1 36 36 SER H H 1 7.800 . . . . . . . . 187 S HN . 27326 1 132 . 1 1 36 36 SER CA C 13 57.229 . . . . . . . . 187 S CA . 27326 1 133 . 1 1 36 36 SER CB C 13 64.220 . . . . . . . . 187 S CB . 27326 1 134 . 1 1 36 36 SER N N 15 115.575 . . . . . . . . 187 S N . 27326 1 135 . 1 1 37 37 GLU CA C 13 58.336 . . . . . . . . 188 E CA . 27326 1 136 . 1 1 38 38 THR H H 1 8.274 . . . . . . . . 189 T HN . 27326 1 137 . 1 1 38 38 THR CA C 13 63.943 . . . . . . . . 189 T CA . 27326 1 138 . 1 1 38 38 THR CB C 13 69.582 . . . . . . . . 189 T CB . 27326 1 139 . 1 1 38 38 THR N N 15 110.827 . . . . . . . . 189 T N . 27326 1 140 . 1 1 39 39 THR H H 1 7.774 . . . . . . . . 190 T HN . 27326 1 141 . 1 1 39 39 THR CA C 13 61.165 . . . . . . . . 190 T CA . 27326 1 142 . 1 1 39 39 THR CB C 13 70.440 . . . . . . . . 190 T CB . 27326 1 143 . 1 1 39 39 THR N N 15 119.575 . . . . . . . . 190 T N . 27326 1 144 . 1 1 40 40 LYS H H 1 8.535 . . . . . . . . 191 K HN . 27326 1 145 . 1 1 40 40 LYS CA C 13 57.670 . . . . . . . . 191 K CA . 27326 1 146 . 1 1 40 40 LYS CB C 13 31.624 . . . . . . . . 191 K CB . 27326 1 147 . 1 1 40 40 LYS N N 15 128.110 . . . . . . . . 191 K N . 27326 1 148 . 1 1 41 41 GLY H H 1 8.830 . . . . . . . . 192 G HN . 27326 1 149 . 1 1 41 41 GLY CA C 13 45.595 . . . . . . . . 192 G CA . 27326 1 150 . 1 1 41 41 GLY N N 15 114.388 . . . . . . . . 192 G N . 27326 1 151 . 1 1 42 42 ALA H H 1 7.585 . . . . . . . . 193 A HN . 27326 1 152 . 1 1 42 42 ALA CA C 13 49.860 . . . . . . . . 193 A CA . 27326 1 153 . 1 1 42 42 ALA CB C 13 20.181 . . . . . . . . 193 A CB . 27326 1 154 . 1 1 42 42 ALA N N 15 121.123 . . . . . . . . 193 A N . 27326 1 155 . 1 1 43 43 TYR H H 1 9.019 . . . . . . . . 194 Y HN . 27326 1 156 . 1 1 43 43 TYR CA C 13 56.837 . . . . . . . . 194 Y CA . 27326 1 157 . 1 1 43 43 TYR CB C 13 42.398 . . . . . . . . 194 Y CB . 27326 1 158 . 1 1 43 43 TYR N N 15 117.871 . . . . . . . . 194 Y N . 27326 1 159 . 1 1 44 44 SER H H 1 9.828 . . . . . . . . 195 S HN . 27326 1 160 . 1 1 44 44 SER CA C 13 56.861 . . . . . . . . 195 S CA . 27326 1 161 . 1 1 44 44 SER CB C 13 65.346 . . . . . . . . 195 S CB . 27326 1 162 . 1 1 44 44 SER N N 15 116.134 . . . . . . . . 195 S N . 27326 1 163 . 1 1 45 45 LEU H H 1 9.685 . . . . . . . . 196 L HN . 27326 1 164 . 1 1 45 45 LEU CA C 13 53.735 . . . . . . . . 196 L CA . 27326 1 165 . 1 1 45 45 LEU CB C 13 44.220 . . . . . . . . 196 L CB . 27326 1 166 . 1 1 45 45 LEU N N 15 130.472 . . . . . . . . 196 L N . 27326 1 167 . 1 1 46 46 SER H H 1 9.080 . . . . . . . . 197 S HN . 27326 1 168 . 1 1 46 46 SER CA C 13 58.843 . . . . . . . . 197 S CA . 27326 1 169 . 1 1 46 46 SER CB C 13 65.160 . . . . . . . . 197 S CB . 27326 1 170 . 1 1 46 46 SER N N 15 125.962 . . . . . . . . 197 S N . 27326 1 171 . 1 1 47 47 ILE H H 1 9.014 . . . . . . . . 198 I HN . 27326 1 172 . 1 1 47 47 ILE CA C 13 59.784 . . . . . . . . 198 I CA . 27326 1 173 . 1 1 47 47 ILE CB C 13 44.022 . . . . . . . . 198 I CB . 27326 1 174 . 1 1 47 47 ILE N N 15 122.654 . . . . . . . . 198 I N . 27326 1 175 . 1 1 48 48 ARG H H 1 8.877 . . . . . . . . 199 R HN . 27326 1 176 . 1 1 48 48 ARG CA C 13 56.704 . . . . . . . . 199 R CA . 27326 1 177 . 1 1 48 48 ARG CB C 13 31.808 . . . . . . . . 199 R CB . 27326 1 178 . 1 1 48 48 ARG N N 15 126.906 . . . . . . . . 199 R N . 27326 1 179 . 1 1 49 49 ASP H H 1 9.523 . . . . . . . . 200 D HN . 27326 1 180 . 1 1 49 49 ASP CA C 13 52.395 . . . . . . . . 200 D CA . 27326 1 181 . 1 1 49 49 ASP CB C 13 46.011 . . . . . . . . 200 D CB . 27326 1 182 . 1 1 49 49 ASP N N 15 130.127 . . . . . . . . 200 D N . 27326 1 183 . 1 1 50 50 TRP H H 1 8.194 . . . . . . . . 201 W HN . 27326 1 184 . 1 1 50 50 TRP CA C 13 58.453 . . . . . . . . 201 W CA . 27326 1 185 . 1 1 50 50 TRP CB C 13 32.608 . . . . . . . . 201 W CB . 27326 1 186 . 1 1 50 50 TRP N N 15 121.400 . . . . . . . . 201 W N . 27326 1 187 . 1 1 51 51 ASP H H 1 6.519 . . . . . . . . 202 D HN . 27326 1 188 . 1 1 51 51 ASP CA C 13 53.828 . . . . . . . . 202 D CA . 27326 1 189 . 1 1 51 51 ASP CB C 13 44.159 . . . . . . . . 202 D CB . 27326 1 190 . 1 1 51 51 ASP N N 15 121.320 . . . . . . . . 202 D N . 27326 1 191 . 1 1 52 52 GLU H H 1 8.410 . . . . . . . . 203 E HN . 27326 1 192 . 1 1 52 52 GLU CA C 13 58.520 . . . . . . . . 203 E CA . 27326 1 193 . 1 1 52 52 GLU CB C 13 29.559 . . . . . . . . 203 E CB . 27326 1 194 . 1 1 52 52 GLU N N 15 116.125 . . . . . . . . 203 E N . 27326 1 195 . 1 1 53 53 ILE H H 1 8.294 . . . . . . . . 204 I HN . 27326 1 196 . 1 1 53 53 ILE CA C 13 62.429 . . . . . . . . 204 I CA . 27326 1 197 . 1 1 53 53 ILE CB C 13 38.038 . . . . . . . . 204 I CB . 27326 1 198 . 1 1 53 53 ILE N N 15 120.212 . . . . . . . . 204 I N . 27326 1 199 . 1 1 54 54 ARG H H 1 9.089 . . . . . . . . 205 R HN . 27326 1 200 . 1 1 54 54 ARG CA C 13 56.603 . . . . . . . . 205 R CA . 27326 1 201 . 1 1 54 54 ARG CB C 13 31.412 . . . . . . . . 205 R CB . 27326 1 202 . 1 1 54 54 ARG N N 15 119.571 . . . . . . . . 205 R N . 27326 1 203 . 1 1 55 55 GLY H H 1 7.513 . . . . . . . . 206 G HN . 27326 1 204 . 1 1 55 55 GLY CA C 13 44.863 . . . . . . . . 206 G CA . 27326 1 205 . 1 1 55 55 GLY N N 15 108.388 . . . . . . . . 206 G N . 27326 1 206 . 1 1 56 56 ASP H H 1 8.630 . . . . . . . . 207 D HN . 27326 1 207 . 1 1 56 56 ASP CA C 13 55.823 . . . . . . . . 207 D CA . 27326 1 208 . 1 1 56 56 ASP CB C 13 41.843 . . . . . . . . 207 D CB . 27326 1 209 . 1 1 56 56 ASP N N 15 124.917 . . . . . . . . 207 D N . 27326 1 210 . 1 1 57 57 ASN H H 1 8.578 . . . . . . . . 208 N HN . 27326 1 211 . 1 1 57 57 ASN CA C 13 52.971 . . . . . . . . 208 N CA . 27326 1 212 . 1 1 57 57 ASN CB C 13 41.722 . . . . . . . . 208 N CB . 27326 1 213 . 1 1 57 57 ASN N N 15 118.467 . . . . . . . . 208 N N . 27326 1 214 . 1 1 58 58 VAL H H 1 8.720 . . . . . . . . 209 V HN . 27326 1 215 . 1 1 58 58 VAL CA C 13 60.606 . . . . . . . . 209 V CA . 27326 1 216 . 1 1 58 58 VAL CB C 13 34.346 . . . . . . . . 209 V CB . 27326 1 217 . 1 1 58 58 VAL N N 15 121.069 . . . . . . . . 209 V N . 27326 1 218 . 1 1 59 59 LYS H H 1 8.555 . . . . . . . . 210 K HN . 27326 1 219 . 1 1 59 59 LYS CA C 13 54.510 . . . . . . . . 210 K CA . 27326 1 220 . 1 1 59 59 LYS CB C 13 36.869 . . . . . . . . 210 K CB . 27326 1 221 . 1 1 59 59 LYS N N 15 126.789 . . . . . . . . 210 K N . 27326 1 222 . 1 1 60 60 HIS H H 1 8.551 . . . . . . . . 211 H HN . 27326 1 223 . 1 1 60 60 HIS CA C 13 54.321 . . . . . . . . 211 H CA . 27326 1 224 . 1 1 60 60 HIS CB C 13 33.892 . . . . . . . . 211 H CB . 27326 1 225 . 1 1 60 60 HIS N N 15 119.534 . . . . . . . . 211 H N . 27326 1 226 . 1 1 61 61 TYR H H 1 9.703 . . . . . . . . 212 Y HN . 27326 1 227 . 1 1 61 61 TYR CA C 13 56.953 . . . . . . . . 212 Y CA . 27326 1 228 . 1 1 61 61 TYR CB C 13 41.107 . . . . . . . . 212 Y CB . 27326 1 229 . 1 1 61 61 TYR N N 15 122.013 . . . . . . . . 212 Y N . 27326 1 230 . 1 1 62 62 LYS H H 1 9.540 . . . . . . . . 213 K HN . 27326 1 231 . 1 1 62 62 LYS CA C 13 56.301 . . . . . . . . 213 K CA . 27326 1 232 . 1 1 62 62 LYS CB C 13 32.418 . . . . . . . . 213 K CB . 27326 1 233 . 1 1 62 62 LYS N N 15 125.647 . . . . . . . . 213 K N . 27326 1 234 . 1 1 63 63 ILE H H 1 9.224 . . . . . . . . 214 I HN . 27326 1 235 . 1 1 63 63 ILE CA C 13 60.321 . . . . . . . . 214 I CA . 27326 1 236 . 1 1 63 63 ILE CB C 13 39.579 . . . . . . . . 214 I CB . 27326 1 237 . 1 1 63 63 ILE N N 15 128.299 . . . . . . . . 214 I N . 27326 1 238 . 1 1 64 64 ARG H H 1 8.283 . . . . . . . . 215 R HN . 27326 1 239 . 1 1 64 64 ARG CA C 13 54.058 . . . . . . . . 215 R CA . 27326 1 240 . 1 1 64 64 ARG CB C 13 33.686 . . . . . . . . 215 R CB . 27326 1 241 . 1 1 64 64 ARG N N 15 126.407 . . . . . . . . 215 R N . 27326 1 242 . 1 1 65 65 LYS H H 1 8.429 . . . . . . . . 216 K HN . 27326 1 243 . 1 1 65 65 LYS CA C 13 54.191 . . . . . . . . 216 K CA . 27326 1 244 . 1 1 65 65 LYS CB C 13 35.311 . . . . . . . . 216 K CB . 27326 1 245 . 1 1 65 65 LYS N N 15 119.459 . . . . . . . . 216 K N . 27326 1 246 . 1 1 66 66 LEU H H 1 8.689 . . . . . . . . 217 L HN . 27326 1 247 . 1 1 66 66 LEU CA C 13 54.524 . . . . . . . . 217 L CA . 27326 1 248 . 1 1 66 66 LEU CB C 13 43.054 . . . . . . . . 217 L CB . 27326 1 249 . 1 1 66 66 LEU N N 15 130.056 . . . . . . . . 217 L N . 27326 1 250 . 1 1 67 67 ASP H H 1 8.850 . . . . . . . . 218 D HN . 27326 1 251 . 1 1 67 67 ASP CA C 13 56.941 . . . . . . . . 218 D CA . 27326 1 252 . 1 1 67 67 ASP CB C 13 40.177 . . . . . . . . 218 D CB . 27326 1 253 . 1 1 67 67 ASP N N 15 124.850 . . . . . . . . 218 D N . 27326 1 254 . 1 1 68 68 ASN H H 1 8.352 . . . . . . . . 219 N HN . 27326 1 255 . 1 1 68 68 ASN CA C 13 52.923 . . . . . . . . 219 N CA . 27326 1 256 . 1 1 68 68 ASN CB C 13 37.956 . . . . . . . . 219 N CB . 27326 1 257 . 1 1 68 68 ASN N N 15 116.349 . . . . . . . . 219 N N . 27326 1 258 . 1 1 69 69 GLY H H 1 7.473 . . . . . . . . 220 G HN . 27326 1 259 . 1 1 69 69 GLY CA C 13 45.591 . . . . . . . . 220 G CA . 27326 1 260 . 1 1 69 69 GLY N N 15 107.711 . . . . . . . . 220 G N . 27326 1 261 . 1 1 70 70 GLY H H 1 8.262 . . . . . . . . 221 G HN . 27326 1 262 . 1 1 70 70 GLY CA C 13 44.457 . . . . . . . . 221 G CA . 27326 1 263 . 1 1 70 70 GLY N N 15 109.510 . . . . . . . . 221 G N . 27326 1 264 . 1 1 71 71 TYR H H 1 9.378 . . . . . . . . 222 Y HN . 27326 1 265 . 1 1 71 71 TYR CA C 13 57.832 . . . . . . . . 222 Y CA . 27326 1 266 . 1 1 71 71 TYR CB C 13 41.487 . . . . . . . . 222 Y CB . 27326 1 267 . 1 1 71 71 TYR N N 15 117.903 . . . . . . . . 222 Y N . 27326 1 268 . 1 1 72 72 TYR H H 1 9.225 . . . . . . . . 223 Y HN . 27326 1 269 . 1 1 72 72 TYR CA C 13 57.965 . . . . . . . . 223 Y CA . 27326 1 270 . 1 1 72 72 TYR CB C 13 40.971 . . . . . . . . 223 Y CB . 27326 1 271 . 1 1 72 72 TYR N N 15 116.589 . . . . . . . . 223 Y N . 27326 1 272 . 1 1 73 73 ILE H H 1 10.187 . . . . . . . . 224 I HN . 27326 1 273 . 1 1 73 73 ILE CA C 13 63.227 . . . . . . . . 224 I CA . 27326 1 274 . 1 1 73 73 ILE CB C 13 39.832 . . . . . . . . 224 I CB . 27326 1 275 . 1 1 73 73 ILE N N 15 120.904 . . . . . . . . 224 I N . 27326 1 276 . 1 1 74 74 THR H H 1 8.818 . . . . . . . . 225 T HN . 27326 1 277 . 1 1 74 74 THR CA C 13 58.079 . . . . . . . . 225 T CA . 27326 1 278 . 1 1 74 74 THR CB C 13 69.724 . . . . . . . . 225 T CB . 27326 1 279 . 1 1 74 74 THR N N 15 115.324 . . . . . . . . 225 T N . 27326 1 280 . 1 1 75 75 THR H H 1 8.995 . . . . . . . . 226 T HN . 27326 1 281 . 1 1 75 75 THR CA C 13 65.311 . . . . . . . . 226 T CA . 27326 1 282 . 1 1 75 75 THR CB C 13 68.592 . . . . . . . . 226 T CB . 27326 1 283 . 1 1 75 75 THR N N 15 120.251 . . . . . . . . 226 T N . 27326 1 284 . 1 1 76 76 ARG H H 1 7.756 . . . . . . . . 227 R HN . 27326 1 285 . 1 1 76 76 ARG CA C 13 57.258 . . . . . . . . 227 R CA . 27326 1 286 . 1 1 76 76 ARG CB C 13 29.890 . . . . . . . . 227 R CB . 27326 1 287 . 1 1 76 76 ARG N N 15 117.779 . . . . . . . . 227 R N . 27326 1 288 . 1 1 77 77 ALA H H 1 7.955 . . . . . . . . 228 A HN . 27326 1 289 . 1 1 77 77 ALA CA C 13 51.520 . . . . . . . . 228 A CA . 27326 1 290 . 1 1 77 77 ALA CB C 13 19.270 . . . . . . . . 228 A CB . 27326 1 291 . 1 1 77 77 ALA N N 15 125.988 . . . . . . . . 228 A N . 27326 1 292 . 1 1 78 78 GLN H H 1 7.830 . . . . . . . . 229 Q HN . 27326 1 293 . 1 1 78 78 GLN CA C 13 53.464 . . . . . . . . 229 Q CA . 27326 1 294 . 1 1 78 78 GLN CB C 13 31.310 . . . . . . . . 229 Q CB . 27326 1 295 . 1 1 78 78 GLN N N 15 120.155 . . . . . . . . 229 Q N . 27326 1 296 . 1 1 79 79 PHE H H 1 9.246 . . . . . . . . 230 F HN . 27326 1 297 . 1 1 79 79 PHE CA C 13 57.070 . . . . . . . . 230 F CA . 27326 1 298 . 1 1 79 79 PHE CB C 13 44.501 . . . . . . . . 230 F CB . 27326 1 299 . 1 1 79 79 PHE N N 15 118.065 . . . . . . . . 230 F N . 27326 1 300 . 1 1 80 80 ASP H H 1 9.296 . . . . . . . . 231 D HN . 27326 1 301 . 1 1 80 80 ASP CA C 13 56.987 . . . . . . . . 231 D CA . 27326 1 302 . 1 1 80 80 ASP CB C 13 41.314 . . . . . . . . 231 D CB . 27326 1 303 . 1 1 80 80 ASP N N 15 120.379 . . . . . . . . 231 D N . 27326 1 304 . 1 1 81 81 THR H H 1 7.285 . . . . . . . . 232 T HN . 27326 1 305 . 1 1 81 81 THR CA C 13 58.418 . . . . . . . . 232 T CA . 27326 1 306 . 1 1 81 81 THR CB C 13 72.959 . . . . . . . . 232 T CB . 27326 1 307 . 1 1 81 81 THR N N 15 103.445 . . . . . . . . 232 T N . 27326 1 308 . 1 1 82 82 LEU H H 1 8.779 . . . . . . . . 233 L HN . 27326 1 309 . 1 1 82 82 LEU CA C 13 57.097 . . . . . . . . 233 L CA . 27326 1 310 . 1 1 82 82 LEU CB C 13 41.915 . . . . . . . . 233 L CB . 27326 1 311 . 1 1 82 82 LEU N N 15 123.044 . . . . . . . . 233 L N . 27326 1 312 . 1 1 83 83 GLN H H 1 9.164 . . . . . . . . 234 Q HN . 27326 1 313 . 1 1 83 83 GLN CA C 13 60.828 . . . . . . . . 234 Q CA . 27326 1 314 . 1 1 83 83 GLN CB C 13 27.453 . . . . . . . . 234 Q CB . 27326 1 315 . 1 1 83 83 GLN N N 15 118.117 . . . . . . . . 234 Q N . 27326 1 316 . 1 1 84 84 LYS H H 1 7.934 . . . . . . . . 235 K HN . 27326 1 317 . 1 1 84 84 LYS CA C 13 59.570 . . . . . . . . 235 K CA . 27326 1 318 . 1 1 84 84 LYS CB C 13 33.211 . . . . . . . . 235 K CB . 27326 1 319 . 1 1 84 84 LYS N N 15 119.255 . . . . . . . . 235 K N . 27326 1 320 . 1 1 85 85 LEU H H 1 7.118 . . . . . . . . 236 L HN . 27326 1 321 . 1 1 85 85 LEU CA C 13 59.331 . . . . . . . . 236 L CA . 27326 1 322 . 1 1 85 85 LEU CB C 13 41.403 . . . . . . . . 236 L CB . 27326 1 323 . 1 1 85 85 LEU N N 15 123.948 . . . . . . . . 236 L N . 27326 1 324 . 1 1 86 86 VAL H H 1 7.982 . . . . . . . . 237 V HN . 27326 1 325 . 1 1 86 86 VAL CA C 13 66.899 . . . . . . . . 237 V CA . 27326 1 326 . 1 1 86 86 VAL CB C 13 31.433 . . . . . . . . 237 V CB . 27326 1 327 . 1 1 86 86 VAL N N 15 119.607 . . . . . . . . 237 V N . 27326 1 328 . 1 1 87 87 LYS H H 1 7.887 . . . . . . . . 238 K HN . 27326 1 329 . 1 1 87 87 LYS CA C 13 59.361 . . . . . . . . 238 K CA . 27326 1 330 . 1 1 87 87 LYS CB C 13 32.346 . . . . . . . . 238 K CB . 27326 1 331 . 1 1 87 87 LYS N N 15 119.152 . . . . . . . . 238 K N . 27326 1 332 . 1 1 88 88 HIS H H 1 7.683 . . . . . . . . 239 H HN . 27326 1 333 . 1 1 88 88 HIS CA C 13 60.214 . . . . . . . . 239 H CA . 27326 1 334 . 1 1 88 88 HIS CB C 13 29.264 . . . . . . . . 239 H CB . 27326 1 335 . 1 1 88 88 HIS N N 15 117.971 . . . . . . . . 239 H N . 27326 1 336 . 1 1 89 89 TYR H H 1 7.312 . . . . . . . . 240 Y HN . 27326 1 337 . 1 1 89 89 TYR CA C 13 60.148 . . . . . . . . 240 Y CA . 27326 1 338 . 1 1 89 89 TYR CB C 13 37.722 . . . . . . . . 240 Y CB . 27326 1 339 . 1 1 89 89 TYR N N 15 115.371 . . . . . . . . 240 Y N . 27326 1 340 . 1 1 90 90 THR H H 1 7.460 . . . . . . . . 241 T HN . 27326 1 341 . 1 1 90 90 THR CA C 13 64.106 . . . . . . . . 241 T CA . 27326 1 342 . 1 1 90 90 THR CB C 13 69.521 . . . . . . . . 241 T CB . 27326 1 343 . 1 1 90 90 THR N N 15 114.189 . . . . . . . . 241 T N . 27326 1 344 . 1 1 91 91 GLU H H 1 7.059 . . . . . . . . 242 E HN . 27326 1 345 . 1 1 91 91 GLU CA C 13 57.434 . . . . . . . . 242 E CA . 27326 1 346 . 1 1 91 91 GLU CB C 13 30.779 . . . . . . . . 242 E CB . 27326 1 347 . 1 1 91 91 GLU N N 15 119.905 . . . . . . . . 242 E N . 27326 1 348 . 1 1 92 92 HIS H H 1 7.818 . . . . . . . . 243 H HN . 27326 1 349 . 1 1 92 92 HIS CA C 13 54.049 . . . . . . . . 243 H CA . 27326 1 350 . 1 1 92 92 HIS CB C 13 31.915 . . . . . . . . 243 H CB . 27326 1 351 . 1 1 92 92 HIS N N 15 115.654 . . . . . . . . 243 H N . 27326 1 352 . 1 1 93 93 ALA H H 1 8.650 . . . . . . . . 244 A HN . 27326 1 353 . 1 1 93 93 ALA CA C 13 55.803 . . . . . . . . 244 A CA . 27326 1 354 . 1 1 93 93 ALA CB C 13 17.829 . . . . . . . . 244 A CB . 27326 1 355 . 1 1 93 93 ALA N N 15 123.918 . . . . . . . . 244 A N . 27326 1 356 . 1 1 94 94 ASP H H 1 8.376 . . . . . . . . 245 D HN . 27326 1 357 . 1 1 94 94 ASP CA C 13 54.268 . . . . . . . . 245 D CA . 27326 1 358 . 1 1 94 94 ASP N N 15 111.519 . . . . . . . . 245 D N . 27326 1 359 . 1 1 95 95 GLY H H 1 8.231 . . . . . . . . 246 G HN . 27326 1 360 . 1 1 95 95 GLY CA C 13 45.041 . . . . . . . . 246 G CA . 27326 1 361 . 1 1 95 95 GLY N N 15 104.317 . . . . . . . . 246 G N . 27326 1 362 . 1 1 96 96 LEU H H 1 8.060 . . . . . . . . 247 L HN . 27326 1 363 . 1 1 96 96 LEU CA C 13 55.091 . . . . . . . . 247 L CA . 27326 1 364 . 1 1 96 96 LEU CB C 13 42.997 . . . . . . . . 247 L CB . 27326 1 365 . 1 1 96 96 LEU N N 15 119.478 . . . . . . . . 247 L N . 27326 1 366 . 1 1 97 97 CYS H H 1 7.419 . . . . . . . . 248 C HN . 27326 1 367 . 1 1 97 97 CYS CA C 13 58.425 . . . . . . . . 248 C CA . 27326 1 368 . 1 1 97 97 CYS CB C 13 28.021 . . . . . . . . 248 C CB . 27326 1 369 . 1 1 97 97 CYS N N 15 115.759 . . . . . . . . 248 C N . 27326 1 370 . 1 1 98 98 HIS H H 1 7.236 . . . . . . . . 249 H HN . 27326 1 371 . 1 1 98 98 HIS CA C 13 55.885 . . . . . . . . 249 H CA . 27326 1 372 . 1 1 98 98 HIS CB C 13 31.532 . . . . . . . . 249 H CB . 27326 1 373 . 1 1 98 98 HIS N N 15 118.554 . . . . . . . . 249 H N . 27326 1 374 . 1 1 99 99 LYS H H 1 8.079 . . . . . . . . 250 K HN . 27326 1 375 . 1 1 99 99 LYS CA C 13 57.008 . . . . . . . . 250 K CA . 27326 1 376 . 1 1 99 99 LYS CB C 13 32.486 . . . . . . . . 250 K CB . 27326 1 377 . 1 1 99 99 LYS N N 15 120.731 . . . . . . . . 250 K N . 27326 1 378 . 1 1 100 100 LEU H H 1 8.203 . . . . . . . . 251 L HN . 27326 1 379 . 1 1 100 100 LEU CA C 13 54.789 . . . . . . . . 251 L CA . 27326 1 380 . 1 1 100 100 LEU CB C 13 38.766 . . . . . . . . 251 L CB . 27326 1 381 . 1 1 100 100 LEU N N 15 123.765 . . . . . . . . 251 L N . 27326 1 382 . 1 1 101 101 THR H H 1 8.243 . . . . . . . . 252 T HN . 27326 1 383 . 1 1 101 101 THR CA C 13 60.438 . . . . . . . . 252 T CA . 27326 1 384 . 1 1 101 101 THR CB C 13 68.622 . . . . . . . . 252 T CB . 27326 1 385 . 1 1 101 101 THR N N 15 113.505 . . . . . . . . 252 T N . 27326 1 386 . 1 1 102 102 THR H H 1 8.482 . . . . . . . . 253 T HN . 27326 1 387 . 1 1 102 102 THR CA C 13 59.967 . . . . . . . . 253 T CA . 27326 1 388 . 1 1 102 102 THR CB C 13 71.238 . . . . . . . . 253 T CB . 27326 1 389 . 1 1 102 102 THR N N 15 114.751 . . . . . . . . 253 T N . 27326 1 390 . 1 1 103 103 VAL H H 1 8.123 . . . . . . . . 254 V HN . 27326 1 391 . 1 1 103 103 VAL CA C 13 62.054 . . . . . . . . 254 V CA . 27326 1 392 . 1 1 103 103 VAL CB C 13 32.115 . . . . . . . . 254 V CB . 27326 1 393 . 1 1 103 103 VAL N N 15 120.107 . . . . . . . . 254 V N . 27326 1 394 . 1 1 104 104 CYS H H 1 8.270 . . . . . . . . 255 C HN . 27326 1 395 . 1 1 104 104 CYS CA C 13 57.785 . . . . . . . . 255 C CA . 27326 1 396 . 1 1 104 104 CYS CB C 13 28.434 . . . . . . . . 255 C CB . 27326 1 397 . 1 1 104 104 CYS N N 15 127.927 . . . . . . . . 255 C N . 27326 1 398 . 1 1 105 105 PRO CA C 13 63.325 . . . . . . . . 256 P CA . 27326 1 399 . 1 1 106 106 THR H H 1 8.132 . . . . . . . . 257 T HN . 27326 1 400 . 1 1 106 106 THR CA C 13 61.235 . . . . . . . . 257 T CA . 27326 1 401 . 1 1 106 106 THR CB C 13 70.306 . . . . . . . . 257 T CB . 27326 1 402 . 1 1 106 106 THR N N 15 113.591 . . . . . . . . 257 T N . 27326 1 403 . 1 1 107 107 VAL H H 1 7.944 . . . . . . . . 258 V HN . 27326 1 404 . 1 1 107 107 VAL CA C 13 61.967 . . . . . . . . 258 V CA . 27326 1 405 . 1 1 107 107 VAL CB C 13 33.215 . . . . . . . . 258 V CB . 27326 1 406 . 1 1 107 107 VAL N N 15 121.068 . . . . . . . . 258 V N . 27326 1 407 . 1 1 108 108 LYS H H 1 8.429 . . . . . . . . 259 K HN . 27326 1 408 . 1 1 108 108 LYS CA C 13 54.220 . . . . . . . . 259 K CA . 27326 1 409 . 1 1 108 108 LYS CB C 13 32.581 . . . . . . . . 259 K CB . 27326 1 410 . 1 1 108 108 LYS N N 15 126.905 . . . . . . . . 259 K N . 27326 1 411 . 1 1 109 109 PRO CA C 13 63.058 . . . . . . . . 260 P CA . 27326 1 412 . 1 1 109 109 PRO CB C 13 32.095 . . . . . . . . 260 P CB . 27326 1 413 . 1 1 110 110 GLN H H 1 8.497 . . . . . . . . 261 Q HN . 27326 1 414 . 1 1 110 110 GLN CA C 13 56.172 . . . . . . . . 261 Q CA . 27326 1 415 . 1 1 110 110 GLN CB C 13 29.630 . . . . . . . . 261 Q CB . 27326 1 416 . 1 1 110 110 GLN N N 15 120.524 . . . . . . . . 261 Q N . 27326 1 417 . 1 1 111 111 GLY H H 1 8.412 . . . . . . . . 262 G HN . 27326 1 418 . 1 1 111 111 GLY N N 15 109.937 . . . . . . . . 262 G N . 27326 1 stop_ save_