data_34164 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34164 _Entry.Title ; Putative inactive (dormant) dimeric state of GHR transmembrane domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-07-15 _Entry.Accession_date 2017-07-15 _Entry.Last_release_date 2018-04-04 _Entry.Original_release_date 2018-04-04 _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_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34164 stop_ 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 D. Lesovoy D. M. . . 34164 2 E. Bocharov E. V. . . 34164 3 O. Bocharova O. V. . . 34164 4 A. Urban A. S. . . 34164 5 A. Arseniev A. S. . . 34164 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Dimer . 34164 GHR . 34164 'Growth hormone receptor' . 34164 Homodimer . 34164 Human . 34164 'JAK2 tyrosine kinase' . 34164 'MEMBRANE PROTEIN' . 34164 Receptor . 34164 'Transmembrane domain' . 34164 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34164 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 226 34164 '15N chemical shifts' 45 34164 '1H chemical shifts' 353 34164 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 1 . . 2018-04-06 . original BMRB . 34164 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5OHD . 34164 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34164 _Citation.ID 1 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 27125024 _Citation.Full_citation . _Citation.Title ; Preparation of Transmembrane Fragments Growth Hormone Receptor GHR in a Cell-Free Expression System for Structural Studies. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Bioorg. Khim.' _Citation.Journal_name_full . _Citation.Journal_volume 41 _Citation.Journal_issue . _Citation.Journal_ASTM BIKHD7 _Citation.Journal_ISSN 0132-3423 _Citation.Journal_CSD 0364 _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 701 _Citation.Page_last 708 _Citation.Year 2015 _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 O. Bocharova O. V. . . 34164 1 2 P. Kuzmichev P. K. . . 34164 1 3 A. Urban A. S. . . 34164 1 4 S. Goncharuk S. A. . . 34164 1 5 E. Bocharov E. V. . . 34164 1 6 A. Arsenyev A. S. . . 34164 1 stop_ save_ save_citation_2 _Citation.Sf_category citations _Citation.Sf_framecode citation_2 _Citation.Entry_ID 34164 _Citation.ID 2 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbagen.2018.03.022 _Citation.PubMed_ID 29571748 _Citation.Full_citation . _Citation.Title ; Structural basis of the signal transduction via transmembrane domain of the human growth hormone receptor. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 1862 _Citation.Journal_issue . _Citation.Journal_ASTM BBACAQ _Citation.Journal_ISSN 0006-3002 _Citation.Journal_CSD 0113 _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 1410 _Citation.Page_last 1420 _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 E. Bocharov E. V. . . 34164 2 2 D. Lesovoy D. M. . . 34164 2 3 O. Bocharova O. V. . . 34164 2 4 A. Urban A. S. . . 34164 2 5 K. Pavlov K. V. . . 34164 2 6 P. Volynsky P. E. . . 34164 2 7 R. Efremov R. G. . . 34164 2 8 A. Arseniev A. S. . . 34164 2 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34164 _Assembly.ID 1 _Assembly.Name 'Growth hormone receptor' _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 'entity_1, chain 1' 1 $entity_1 A A yes . . . . . . 34164 1 2 'entity_1, chain 2' 1 $entity_1 B B yes . . . . . . 34164 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34164 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A,B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSMSQFTCEEDFYFPWLLII IFGIFGLTVMLFVFLFSKQQ RIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5145.129 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'The author sequence numbering corresponds to the Swiss-Prot annotation of the human Growth hormone receptor (GHR), P10912' _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'GH receptor' na 34164 1 'Somatotropin receptor' na 34164 1 stop_ 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 1 252 GLY . 34164 1 2 253 SER . 34164 1 3 254 MET . 34164 1 4 255 SER . 34164 1 5 256 GLN . 34164 1 6 257 PHE . 34164 1 7 258 THR . 34164 1 8 259 CYS . 34164 1 9 260 GLU . 34164 1 10 261 GLU . 34164 1 11 262 ASP . 34164 1 12 263 PHE . 34164 1 13 264 TYR . 34164 1 14 265 PHE . 34164 1 15 266 PRO . 34164 1 16 267 TRP . 34164 1 17 268 LEU . 34164 1 18 269 LEU . 34164 1 19 270 ILE . 34164 1 20 271 ILE . 34164 1 21 272 ILE . 34164 1 22 273 PHE . 34164 1 23 274 GLY . 34164 1 24 275 ILE . 34164 1 25 276 PHE . 34164 1 26 277 GLY . 34164 1 27 278 LEU . 34164 1 28 279 THR . 34164 1 29 280 VAL . 34164 1 30 281 MET . 34164 1 31 282 LEU . 34164 1 32 283 PHE . 34164 1 33 284 VAL . 34164 1 34 285 PHE . 34164 1 35 286 LEU . 34164 1 36 287 PHE . 34164 1 37 288 SER . 34164 1 38 289 LYS . 34164 1 39 290 GLN . 34164 1 40 291 GLN . 34164 1 41 292 ARG . 34164 1 42 293 ILE . 34164 1 43 294 LYS . 34164 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 . GLY 1 1 34164 1 . SER 2 2 34164 1 . MET 3 3 34164 1 . SER 4 4 34164 1 . GLN 5 5 34164 1 . PHE 6 6 34164 1 . THR 7 7 34164 1 . CYS 8 8 34164 1 . GLU 9 9 34164 1 . GLU 10 10 34164 1 . ASP 11 11 34164 1 . PHE 12 12 34164 1 . TYR 13 13 34164 1 . PHE 14 14 34164 1 . PRO 15 15 34164 1 . TRP 16 16 34164 1 . LEU 17 17 34164 1 . LEU 18 18 34164 1 . ILE 19 19 34164 1 . ILE 20 20 34164 1 . ILE 21 21 34164 1 . PHE 22 22 34164 1 . GLY 23 23 34164 1 . ILE 24 24 34164 1 . PHE 25 25 34164 1 . GLY 26 26 34164 1 . LEU 27 27 34164 1 . THR 28 28 34164 1 . VAL 29 29 34164 1 . MET 30 30 34164 1 . LEU 31 31 34164 1 . PHE 32 32 34164 1 . VAL 33 33 34164 1 . PHE 34 34 34164 1 . LEU 35 35 34164 1 . PHE 36 36 34164 1 . SER 37 37 34164 1 . LYS 38 38 34164 1 . GLN 39 39 34164 1 . GLN 40 40 34164 1 . ARG 41 41 34164 1 . ILE 42 42 34164 1 . LYS 43 43 34164 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 34164 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . GHR . 34164 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 34164 _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 $entity_1 . 'recombinant technology' "Escherichia coli 'BL21-Gold(DE3)pLysS AG'" . . 866768 . . . . . . . . . . . . 34164 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34164 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.7 mM [U-99% 13C; U-99% 15N] GHRtm, 1.2 mM GHRtm, 100 mM [U-99% 2H] DPC, 0.3 mM sodium azide, 8 mM TCEP, 10 mM citric acid, 20 mM Na2HPO4, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 GHRtm-13C-15N '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.7 . . mM 0.1 . . . 34164 1 2 GHRtm 'natural abundance' . . . . . . 1.2 . . mM 0.2 . . . 34164 1 3 DPC '[U-99% 2H]' . . . . . . 100 . . mM 2 . . . 34164 1 4 'sodium azide' 'natural abundance' . . . . . . 0.3 . . mM . . . . 34164 1 5 TCEP 'natural abundance' . . . . . . 8 . . mM . . . . 34164 1 6 'citric acid' 'natural abundance' . . . . . . 10 . . mM . . . . 34164 1 7 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 34164 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34164 _Sample.ID 2 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-99% 15N] GHRtm, 50 mM [U-99% 2H] DPC, 0.3 mM sodium azide, 8 mM TCEP, 10 mM citric acid, 20 mM Na2HPO4, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 GHRtm '[U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.1 . . . 34164 2 2 DPC '[U-99% 2H]' . . . . . . 50 . . mM 1 . . . 34164 2 3 'sodium azide' 'natural abundance' . . . . . . 0.3 . . mM . . . . 34164 2 4 TCEP 'natural abundance' . . . . . . 8 . . mM . . . . 34164 2 5 'citric acid' 'natural abundance' . . . . . . 10 . . mM . . . . 34164 2 6 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 34164 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34164 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.8 mM [U-99% 13C; U-99% 15N] GHRtm, 50 mM [U-99% 2H] DPC, 0.3 mM sodium azide, 8 mM TCEP, 10 mM citric acid, 20 mM Na2HPO4, 95% H2O/5% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 GHRtm '[U-99% 13C; U-99% 15N]' . . 1 $entity_1 . . 0.8 . . mM 0.1 . . . 34164 3 2 DPC '[U-99% 2H]' . . . . . . 50 . . mM 1 . . . 34164 3 3 'sodium azide' 'natural abundance' . . . . . . 0.3 . . mM . . . . 34164 3 4 TCEP 'natural abundance' . . . . . . 8 . . mM . . . . 34164 3 5 'citric acid' 'natural abundance' . . . . . . 10 . . mM . . . . 34164 3 6 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 34164 3 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 34164 _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' 40 10 mM 34164 1 pH 5.0 0.05 pH 34164 1 pressure 1 . atm 34164 1 temperature 313 . K 34164 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34164 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34164 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 34164 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34164 _Software.ID 2 _Software.Type . _Software.Name CARA _Software.Version 1.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34164 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34164 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34164 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34164 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34164 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34164 _Software.ID 4 _Software.Type . _Software.Name Mathematica _Software.Version Linux _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wolfram Research' . . 34164 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 34164 4 stop_ save_ save_software_5 _Software.Sf_category software _Software.Sf_framecode software_5 _Software.Entry_ID 34164 _Software.ID 5 _Software.Type . _Software.Name MddNMR _Software.Version 2.4 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'V. Orekhov, V. Jaravine, M. Mayzel, K. Kazimierczuk' . . 34164 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34164 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34164 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details '13C 1H CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34164 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details '1H CryoProbe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 34164 _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 NMR_spectrometer_1 Bruker AvanceIII . 800 . . . 34164 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 34164 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 34164 _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 15N,13C-F1-filtered/F3-edited-NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34164 1 2 15N,13C-F1-filtered/F3-edited-NOESY no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34164 1 3 '3D 1H-13C(constant time) NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 4 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34164 1 5 '3D 1H-15N(TROSY) NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 6 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 7 '3D 1H-15N(TROSY) HNHB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 8 '3D 1H-15N(TROSY) HNHA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 9 '3D 1H-15N(TROSY) HNCO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 10 '3D 1H-15N(TROSY) HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 11 '3D 1H-15N(TROSY) HN(CA)CO' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 12 '3D 1H-15N(TROSY) HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 13 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 14 '2D 1H-15N TROSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 15 '2D 1H-INEPT-13CA-detected' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 16 '2D 1H-13C constant time HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 17 '2D 1H-13C constant time HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 18 '2D 1H-13C(TROSY) constant time HSQC aromatic' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 19 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34164 1 20 '3D 1H-13C constant time HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 21 '2D 1H-15N CSA/dipole cross-correlation' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 22 '2D 1H-15N(TROSY) CLEANEX' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34164 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34164 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . . . 34164 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 . . . . . 34164 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . . . 34164 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34164 _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.1 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _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 'The author sequence numbering corresponds to the Swiss-Prot annotation of the human Growth hormone receptor (GHR), P10912' _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 15N,13C-F1-filtered/F3-edited-NOESY . . . 34164 1 2 15N,13C-F1-filtered/F3-edited-NOESY . . . 34164 1 3 '3D 1H-13C(constant time) NOESY aliphatic' . . . 34164 1 4 '3D 1H-13C NOESY aliphatic' . . . 34164 1 5 '3D 1H-15N(TROSY) NOESY' . . . 34164 1 6 '3D 1H-13C NOESY aromatic' . . . 34164 1 7 '3D 1H-15N(TROSY) HNHB' . . . 34164 1 8 '3D 1H-15N(TROSY) HNHA' . . . 34164 1 9 '3D 1H-15N(TROSY) HNCO' . . . 34164 1 10 '3D 1H-15N(TROSY) HNCA' . . . 34164 1 11 '3D 1H-15N(TROSY) HN(CA)CO' . . . 34164 1 12 '3D 1H-15N(TROSY) HN(CO)CA' . . . 34164 1 13 '2D 1H-15N HSQC' . . . 34164 1 14 '2D 1H-15N TROSY' . . . 34164 1 15 '2D 1H-INEPT-13CA-detected' . . . 34164 1 16 '2D 1H-13C constant time HSQC aliphatic' . . . 34164 1 17 '2D 1H-13C constant time HSQC aromatic' . . . 34164 1 18 '2D 1H-13C(TROSY) constant time HSQC aromatic' . . . 34164 1 19 '3D HCCH-TOCSY' . . . 34164 1 20 '3D 1H-13C constant time HCCH-TOCSY' . . . 34164 1 21 '2D 1H-15N CSA/dipole cross-correlation' . . . 34164 1 22 '2D 1H-15N(TROSY) CLEANEX' . . . 34164 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 GLY HA2 H 1 3.896 0.020 . 2 . . . . A 252 GLY HA2 . 34164 1 2 . 1 1 1 1 GLY HA3 H 1 3.870 0.020 . 2 . . . . A 252 GLY HA3 . 34164 1 3 . 1 1 1 1 GLY C C 13 169.802 0.100 . 1 . . . . A 252 GLY C . 34164 1 4 . 1 1 1 1 GLY CA C 13 42.745 0.100 . 1 . . . . A 252 GLY CA . 34164 1 5 . 1 1 2 2 SER H H 1 8.714 0.020 . 1 . . . . A 253 SER H . 34164 1 6 . 1 1 2 2 SER HA H 1 4.579 0.020 . 1 . . . . A 253 SER HA . 34164 1 7 . 1 1 2 2 SER HB2 H 1 3.872 0.020 . 2 . . . . A 253 SER HB2 . 34164 1 8 . 1 1 2 2 SER HB3 H 1 3.835 0.020 . 2 . . . . A 253 SER HB3 . 34164 1 9 . 1 1 2 2 SER HG H 1 4.133 0.020 . 1 . . . . A 253 SER HG . 34164 1 10 . 1 1 2 2 SER CA C 13 57.518 0.100 . 1 . . . . A 253 SER CA . 34164 1 11 . 1 1 2 2 SER CB C 13 63.288 0.100 . 1 . . . . A 253 SER CB . 34164 1 12 . 1 1 2 2 SER N N 15 116.368 0.100 . 1 . . . . A 253 SER N . 34164 1 13 . 1 1 3 3 MET H H 1 8.789 0.020 . 1 . . . . A 254 MET H . 34164 1 14 . 1 1 3 3 MET HA H 1 4.455 0.020 . 1 . . . . A 254 MET HA . 34164 1 15 . 1 1 3 3 MET HB2 H 1 2.092 0.020 . 2 . . . . A 254 MET HB2 . 34164 1 16 . 1 1 3 3 MET HB3 H 1 2.051 0.020 . 2 . . . . A 254 MET HB3 . 34164 1 17 . 1 1 3 3 MET HG2 H 1 2.576 0.020 . 2 . . . . A 254 MET HG2 . 34164 1 18 . 1 1 3 3 MET HG3 H 1 2.505 0.020 . 2 . . . . A 254 MET HG3 . 34164 1 19 . 1 1 3 3 MET HE1 H 1 1.984 0.020 . 1 . . . . A 254 MET HE1 . 34164 1 20 . 1 1 3 3 MET HE2 H 1 1.984 0.020 . 1 . . . . A 254 MET HE2 . 34164 1 21 . 1 1 3 3 MET HE3 H 1 1.984 0.020 . 1 . . . . A 254 MET HE3 . 34164 1 22 . 1 1 3 3 MET C C 13 176.020 0.100 . 1 . . . . A 254 MET C . 34164 1 23 . 1 1 3 3 MET CA C 13 55.669 0.100 . 1 . . . . A 254 MET CA . 34164 1 24 . 1 1 3 3 MET CB C 13 31.885 0.100 . 1 . . . . A 254 MET CB . 34164 1 25 . 1 1 3 3 MET CG C 13 31.758 0.100 . 1 . . . . A 254 MET CG . 34164 1 26 . 1 1 3 3 MET CE C 13 16.415 0.100 . 1 . . . . A 254 MET CE . 34164 1 27 . 1 1 3 3 MET N N 15 121.424 0.100 . 1 . . . . A 254 MET N . 34164 1 28 . 1 1 4 4 SER H H 1 8.157 0.020 . 1 . . . . A 255 SER H . 34164 1 29 . 1 1 4 4 SER HA H 1 4.310 0.020 . 1 . . . . A 255 SER HA . 34164 1 30 . 1 1 4 4 SER HB2 H 1 3.869 0.020 . 2 . . . . A 255 SER HB2 . 34164 1 31 . 1 1 4 4 SER HB3 H 1 3.818 0.020 . 2 . . . . A 255 SER HB3 . 34164 1 32 . 1 1 4 4 SER HG H 1 4.712 0.020 . 1 . . . . A 255 SER HG . 34164 1 33 . 1 1 4 4 SER CA C 13 58.843 0.100 . 1 . . . . A 255 SER CA . 34164 1 34 . 1 1 4 4 SER CB C 13 62.693 0.100 . 1 . . . . A 255 SER CB . 34164 1 35 . 1 1 4 4 SER N N 15 115.334 0.100 . 1 . . . . A 255 SER N . 34164 1 36 . 1 1 5 5 GLN H H 1 8.149 0.020 . 1 . . . . A 256 GLN H . 34164 1 37 . 1 1 5 5 GLN HA H 1 4.196 0.020 . 1 . . . . A 256 GLN HA . 34164 1 38 . 1 1 5 5 GLN HB2 H 1 1.875 0.020 . 2 . . . . A 256 GLN HB2 . 34164 1 39 . 1 1 5 5 GLN HB3 H 1 1.875 0.020 . 2 . . . . A 256 GLN HB3 . 34164 1 40 . 1 1 5 5 GLN HG2 H 1 2.103 0.020 . 2 . . . . A 256 GLN HG2 . 34164 1 41 . 1 1 5 5 GLN HG3 H 1 2.103 0.020 . 2 . . . . A 256 GLN HG3 . 34164 1 42 . 1 1 5 5 GLN HE21 H 1 7.341 0.020 . 2 . . . . A 256 GLN HE21 . 34164 1 43 . 1 1 5 5 GLN HE22 H 1 6.697 0.020 . 2 . . . . A 256 GLN HE22 . 34164 1 44 . 1 1 5 5 GLN C C 13 175.220 0.100 . 1 . . . . A 256 GLN C . 34164 1 45 . 1 1 5 5 GLN CA C 13 56.015 0.100 . 1 . . . . A 256 GLN CA . 34164 1 46 . 1 1 5 5 GLN CB C 13 28.282 0.100 . 1 . . . . A 256 GLN CB . 34164 1 47 . 1 1 5 5 GLN CG C 13 33.168 0.100 . 1 . . . . A 256 GLN CG . 34164 1 48 . 1 1 5 5 GLN N N 15 120.704 0.100 . 1 . . . . A 256 GLN N . 34164 1 49 . 1 1 5 5 GLN NE2 N 15 111.157 0.100 . 1 . . . . A 256 GLN NE2 . 34164 1 50 . 1 1 6 6 PHE H H 1 7.981 0.020 . 1 . . . . A 257 PHE H . 34164 1 51 . 1 1 6 6 PHE HA H 1 4.431 0.020 . 1 . . . . A 257 PHE HA . 34164 1 52 . 1 1 6 6 PHE HB2 H 1 3.156 0.020 . 2 . . . . A 257 PHE HB2 . 34164 1 53 . 1 1 6 6 PHE HB3 H 1 3.001 0.020 . 2 . . . . A 257 PHE HB3 . 34164 1 54 . 1 1 6 6 PHE HD1 H 1 7.195 0.020 . 1 . . . . A 257 PHE HD1 . 34164 1 55 . 1 1 6 6 PHE HD2 H 1 7.195 0.020 . 1 . . . . A 257 PHE HD2 . 34164 1 56 . 1 1 6 6 PHE HE1 H 1 7.212 0.020 . 1 . . . . A 257 PHE HE1 . 34164 1 57 . 1 1 6 6 PHE HE2 H 1 7.212 0.020 . 1 . . . . A 257 PHE HE2 . 34164 1 58 . 1 1 6 6 PHE HZ H 1 7.178 0.020 . 1 . . . . A 257 PHE HZ . 34164 1 59 . 1 1 6 6 PHE C C 13 175.074 0.100 . 1 . . . . A 257 PHE C . 34164 1 60 . 1 1 6 6 PHE CA C 13 57.604 0.100 . 1 . . . . A 257 PHE CA . 34164 1 61 . 1 1 6 6 PHE CB C 13 38.814 0.100 . 1 . . . . A 257 PHE CB . 34164 1 62 . 1 1 6 6 PHE CD1 C 13 131.070 0.100 . 3 . . . . A 257 PHE CD1 . 34164 1 63 . 1 1 6 6 PHE CD2 C 13 131.070 0.100 . 3 . . . . A 257 PHE CD2 . 34164 1 64 . 1 1 6 6 PHE CE1 C 13 130.199 0.100 . 3 . . . . A 257 PHE CE1 . 34164 1 65 . 1 1 6 6 PHE CE2 C 13 130.199 0.100 . 3 . . . . A 257 PHE CE2 . 34164 1 66 . 1 1 6 6 PHE CZ C 13 128.477 0.100 . 1 . . . . A 257 PHE CZ . 34164 1 67 . 1 1 6 6 PHE N N 15 119.002 0.100 . 1 . . . . A 257 PHE N . 34164 1 68 . 1 1 7 7 THR H H 1 7.911 0.020 . 1 . . . . A 258 THR H . 34164 1 69 . 1 1 7 7 THR HA H 1 4.262 0.020 . 1 . . . . A 258 THR HA . 34164 1 70 . 1 1 7 7 THR HB H 1 4.232 0.020 . 1 . . . . A 258 THR HB . 34164 1 71 . 1 1 7 7 THR HG1 H 1 4.449 0.020 . 1 . . . . A 258 THR HG1 . 34164 1 72 . 1 1 7 7 THR HG21 H 1 1.129 0.020 . 1 . . . . A 258 THR HG21 . 34164 1 73 . 1 1 7 7 THR HG22 H 1 1.129 0.020 . 1 . . . . A 258 THR HG22 . 34164 1 74 . 1 1 7 7 THR HG23 H 1 1.129 0.020 . 1 . . . . A 258 THR HG23 . 34164 1 75 . 1 1 7 7 THR C C 13 173.853 0.100 . 1 . . . . A 258 THR C . 34164 1 76 . 1 1 7 7 THR CA C 13 61.787 0.100 . 1 . . . . A 258 THR CA . 34164 1 77 . 1 1 7 7 THR CB C 13 68.852 0.100 . 1 . . . . A 258 THR CB . 34164 1 78 . 1 1 7 7 THR CG2 C 13 21.064 0.100 . 1 . . . . A 258 THR CG2 . 34164 1 79 . 1 1 7 7 THR N N 15 112.443 0.100 . 1 . . . . A 258 THR N . 34164 1 80 . 1 1 8 8 CYS H H 1 8.028 0.020 . 1 . . . . A 259 CYS H . 34164 1 81 . 1 1 8 8 CYS HA H 1 4.464 0.020 . 1 . . . . A 259 CYS HA . 34164 1 82 . 1 1 8 8 CYS HB2 H 1 2.949 0.020 . 2 . . . . A 259 CYS HB2 . 34164 1 83 . 1 1 8 8 CYS HB3 H 1 2.949 0.020 . 2 . . . . A 259 CYS HB3 . 34164 1 84 . 1 1 8 8 CYS C C 13 174.189 0.100 . 1 . . . . A 259 CYS C . 34164 1 85 . 1 1 8 8 CYS CA C 13 58.389 0.100 . 1 . . . . A 259 CYS CA . 34164 1 86 . 1 1 8 8 CYS CB C 13 27.072 0.100 . 1 . . . . A 259 CYS CB . 34164 1 87 . 1 1 8 8 CYS N N 15 118.536 0.100 . 1 . . . . A 259 CYS N . 34164 1 88 . 1 1 9 9 GLU H H 1 8.274 0.020 . 1 . . . . A 260 GLU H . 34164 1 89 . 1 1 9 9 GLU HA H 1 4.185 0.020 . 1 . . . . A 260 GLU HA . 34164 1 90 . 1 1 9 9 GLU HB2 H 1 2.093 0.020 . 2 . . . . A 260 GLU HB2 . 34164 1 91 . 1 1 9 9 GLU HB3 H 1 1.995 0.020 . 2 . . . . A 260 GLU HB3 . 34164 1 92 . 1 1 9 9 GLU HG2 H 1 2.357 0.020 . 2 . . . . A 260 GLU HG2 . 34164 1 93 . 1 1 9 9 GLU HG3 H 1 2.357 0.020 . 2 . . . . A 260 GLU HG3 . 34164 1 94 . 1 1 9 9 GLU C C 13 175.791 0.100 . 1 . . . . A 260 GLU C . 34164 1 95 . 1 1 9 9 GLU CA C 13 56.525 0.100 . 1 . . . . A 260 GLU CA . 34164 1 96 . 1 1 9 9 GLU CB C 13 28.113 0.100 . 1 . . . . A 260 GLU CB . 34164 1 97 . 1 1 9 9 GLU CG C 13 33.404 0.100 . 1 . . . . A 260 GLU CG . 34164 1 98 . 1 1 9 9 GLU N N 15 120.821 0.100 . 1 . . . . A 260 GLU N . 34164 1 99 . 1 1 10 10 GLU H H 1 8.148 0.020 . 1 . . . . A 261 GLU H . 34164 1 100 . 1 1 10 10 GLU HA H 1 4.048 0.020 . 1 . . . . A 261 GLU HA . 34164 1 101 . 1 1 10 10 GLU HB2 H 1 1.951 0.020 . 2 . . . . A 261 GLU HB2 . 34164 1 102 . 1 1 10 10 GLU HB3 H 1 1.951 0.020 . 2 . . . . A 261 GLU HB3 . 34164 1 103 . 1 1 10 10 GLU HG2 H 1 2.303 0.020 . 2 . . . . A 261 GLU HG2 . 34164 1 104 . 1 1 10 10 GLU HG3 H 1 2.303 0.020 . 2 . . . . A 261 GLU HG3 . 34164 1 105 . 1 1 10 10 GLU C C 13 175.340 0.100 . 1 . . . . A 261 GLU C . 34164 1 106 . 1 1 10 10 GLU CA C 13 56.726 0.100 . 1 . . . . A 261 GLU CA . 34164 1 107 . 1 1 10 10 GLU CB C 13 28.009 0.100 . 1 . . . . A 261 GLU CB . 34164 1 108 . 1 1 10 10 GLU CG C 13 33.246 0.100 . 1 . . . . A 261 GLU CG . 34164 1 109 . 1 1 10 10 GLU N N 15 118.841 0.100 . 1 . . . . A 261 GLU N . 34164 1 110 . 1 1 11 11 ASP H H 1 8.080 0.020 . 1 . . . . A 262 ASP H . 34164 1 111 . 1 1 11 11 ASP HA H 1 4.442 0.020 . 1 . . . . A 262 ASP HA . 34164 1 112 . 1 1 11 11 ASP HB2 H 1 2.995 0.020 . 2 . . . . A 262 ASP HB2 . 34164 1 113 . 1 1 11 11 ASP HB3 H 1 2.678 0.020 . 2 . . . . A 262 ASP HB3 . 34164 1 114 . 1 1 11 11 ASP C C 13 174.856 0.100 . 1 . . . . A 262 ASP C . 34164 1 115 . 1 1 11 11 ASP CA C 13 53.777 0.100 . 1 . . . . A 262 ASP CA . 34164 1 116 . 1 1 11 11 ASP CB C 13 38.579 0.100 . 1 . . . . A 262 ASP CB . 34164 1 117 . 1 1 11 11 ASP N N 15 117.681 0.100 . 1 . . . . A 262 ASP N . 34164 1 118 . 1 1 12 12 PHE H H 1 7.867 0.020 . 1 . . . . A 263 PHE H . 34164 1 119 . 1 1 12 12 PHE HA H 1 4.429 0.020 . 1 . . . . A 263 PHE HA . 34164 1 120 . 1 1 12 12 PHE HB2 H 1 3.000 0.020 . 2 . . . . A 263 PHE HB2 . 34164 1 121 . 1 1 12 12 PHE HB3 H 1 2.677 0.020 . 2 . . . . A 263 PHE HB3 . 34164 1 122 . 1 1 12 12 PHE HD1 H 1 7.013 0.020 . 1 . . . . A 263 PHE HD1 . 34164 1 123 . 1 1 12 12 PHE HD2 H 1 7.013 0.020 . 1 . . . . A 263 PHE HD2 . 34164 1 124 . 1 1 12 12 PHE HE1 H 1 6.987 0.020 . 1 . . . . A 263 PHE HE1 . 34164 1 125 . 1 1 12 12 PHE HE2 H 1 6.987 0.020 . 1 . . . . A 263 PHE HE2 . 34164 1 126 . 1 1 12 12 PHE HZ H 1 6.885 0.020 . 1 . . . . A 263 PHE HZ . 34164 1 127 . 1 1 12 12 PHE C C 13 174.408 0.100 . 1 . . . . A 263 PHE C . 34164 1 128 . 1 1 12 12 PHE CA C 13 57.887 0.100 . 1 . . . . A 263 PHE CA . 34164 1 129 . 1 1 12 12 PHE CB C 13 38.239 0.100 . 1 . . . . A 263 PHE CB . 34164 1 130 . 1 1 12 12 PHE CD1 C 13 131.127 0.100 . 3 . . . . A 263 PHE CD1 . 34164 1 131 . 1 1 12 12 PHE CD2 C 13 131.127 0.100 . 3 . . . . A 263 PHE CD2 . 34164 1 132 . 1 1 12 12 PHE CE1 C 13 129.658 0.100 . 3 . . . . A 263 PHE CE1 . 34164 1 133 . 1 1 12 12 PHE CE2 C 13 129.658 0.100 . 3 . . . . A 263 PHE CE2 . 34164 1 134 . 1 1 12 12 PHE CZ C 13 127.895 0.100 . 1 . . . . A 263 PHE CZ . 34164 1 135 . 1 1 12 12 PHE N N 15 118.283 0.100 . 1 . . . . A 263 PHE N . 34164 1 136 . 1 1 13 13 TYR H H 1 8.221 0.020 . 1 . . . . A 264 TYR H . 34164 1 137 . 1 1 13 13 TYR HA H 1 4.681 0.020 . 1 . . . . A 264 TYR HA . 34164 1 138 . 1 1 13 13 TYR HB2 H 1 3.151 0.020 . 2 . . . . A 264 TYR HB2 . 34164 1 139 . 1 1 13 13 TYR HB3 H 1 3.015 0.020 . 2 . . . . A 264 TYR HB3 . 34164 1 140 . 1 1 13 13 TYR HD1 H 1 6.931 0.020 . 1 . . . . A 264 TYR HD1 . 34164 1 141 . 1 1 13 13 TYR HD2 H 1 6.931 0.020 . 1 . . . . A 264 TYR HD2 . 34164 1 142 . 1 1 13 13 TYR HE1 H 1 6.752 0.020 . 1 . . . . A 264 TYR HE1 . 34164 1 143 . 1 1 13 13 TYR HE2 H 1 6.752 0.020 . 1 . . . . A 264 TYR HE2 . 34164 1 144 . 1 1 13 13 TYR C C 13 174.436 0.100 . 1 . . . . A 264 TYR C . 34164 1 145 . 1 1 13 13 TYR CA C 13 54.535 0.100 . 1 . . . . A 264 TYR CA . 34164 1 146 . 1 1 13 13 TYR CB C 13 36.946 0.100 . 1 . . . . A 264 TYR CB . 34164 1 147 . 1 1 13 13 TYR CD1 C 13 132.110 0.100 . 3 . . . . A 264 TYR CD1 . 34164 1 148 . 1 1 13 13 TYR CD2 C 13 132.110 0.100 . 3 . . . . A 264 TYR CD2 . 34164 1 149 . 1 1 13 13 TYR CE1 C 13 117.486 0.100 . 3 . . . . A 264 TYR CE1 . 34164 1 150 . 1 1 13 13 TYR CE2 C 13 117.486 0.100 . 3 . . . . A 264 TYR CE2 . 34164 1 151 . 1 1 13 13 TYR N N 15 119.563 0.100 . 1 . . . . A 264 TYR N . 34164 1 152 . 1 1 14 14 PHE H H 1 8.256 0.020 . 1 . . . . A 265 PHE H . 34164 1 153 . 1 1 14 14 PHE HA H 1 4.448 0.020 . 1 . . . . A 265 PHE HA . 34164 1 154 . 1 1 14 14 PHE HB2 H 1 3.092 0.020 . 2 . . . . A 265 PHE HB2 . 34164 1 155 . 1 1 14 14 PHE HB3 H 1 2.971 0.020 . 2 . . . . A 265 PHE HB3 . 34164 1 156 . 1 1 14 14 PHE HD1 H 1 7.006 0.020 . 1 . . . . A 265 PHE HD1 . 34164 1 157 . 1 1 14 14 PHE HD2 H 1 7.006 0.020 . 1 . . . . A 265 PHE HD2 . 34164 1 158 . 1 1 14 14 PHE HE1 H 1 7.019 0.020 . 1 . . . . A 265 PHE HE1 . 34164 1 159 . 1 1 14 14 PHE HE2 H 1 7.019 0.020 . 1 . . . . A 265 PHE HE2 . 34164 1 160 . 1 1 14 14 PHE HZ H 1 6.955 0.020 . 1 . . . . A 265 PHE HZ . 34164 1 161 . 1 1 14 14 PHE CA C 13 57.646 0.100 . 1 . . . . A 265 PHE CA . 34164 1 162 . 1 1 14 14 PHE CB C 13 40.020 0.100 . 1 . . . . A 265 PHE CB . 34164 1 163 . 1 1 14 14 PHE CD1 C 13 131.800 0.100 . 3 . . . . A 265 PHE CD1 . 34164 1 164 . 1 1 14 14 PHE CD2 C 13 131.800 0.100 . 3 . . . . A 265 PHE CD2 . 34164 1 165 . 1 1 14 14 PHE CE1 C 13 130.039 0.100 . 3 . . . . A 265 PHE CE1 . 34164 1 166 . 1 1 14 14 PHE CE2 C 13 130.039 0.100 . 3 . . . . A 265 PHE CE2 . 34164 1 167 . 1 1 14 14 PHE CZ C 13 128.303 0.100 . 1 . . . . A 265 PHE CZ . 34164 1 168 . 1 1 14 14 PHE N N 15 116.792 0.100 . 1 . . . . A 265 PHE N . 34164 1 169 . 1 1 15 15 PRO HA H 1 3.973 0.020 . 1 . . . . A 266 PRO HA . 34164 1 170 . 1 1 15 15 PRO HB2 H 1 2.252 0.020 . 2 . . . . A 266 PRO HB2 . 34164 1 171 . 1 1 15 15 PRO HB3 H 1 1.883 0.020 . 2 . . . . A 266 PRO HB3 . 34164 1 172 . 1 1 15 15 PRO HG2 H 1 2.267 0.020 . 2 . . . . A 266 PRO HG2 . 34164 1 173 . 1 1 15 15 PRO HG3 H 1 2.124 0.020 . 2 . . . . A 266 PRO HG3 . 34164 1 174 . 1 1 15 15 PRO HD2 H 1 2.942 0.020 . 2 . . . . A 266 PRO HD2 . 34164 1 175 . 1 1 15 15 PRO HD3 H 1 2.879 0.020 . 2 . . . . A 266 PRO HD3 . 34164 1 176 . 1 1 15 15 PRO CA C 13 64.978 0.100 . 1 . . . . A 266 PRO CA . 34164 1 177 . 1 1 15 15 PRO CB C 13 31.300 0.100 . 1 . . . . A 266 PRO CB . 34164 1 178 . 1 1 15 15 PRO CG C 13 26.136 0.100 . 1 . . . . A 266 PRO CG . 34164 1 179 . 1 1 15 15 PRO CD C 13 50.689 0.100 . 1 . . . . A 266 PRO CD . 34164 1 180 . 1 1 16 16 TRP H H 1 7.841 0.020 . 1 . . . . A 267 TRP H . 34164 1 181 . 1 1 16 16 TRP HA H 1 4.394 0.020 . 1 . . . . A 267 TRP HA . 34164 1 182 . 1 1 16 16 TRP HB2 H 1 3.258 0.020 . 2 . . . . A 267 TRP HB2 . 34164 1 183 . 1 1 16 16 TRP HB3 H 1 3.124 0.020 . 2 . . . . A 267 TRP HB3 . 34164 1 184 . 1 1 16 16 TRP HD1 H 1 7.252 0.020 . 1 . . . . A 267 TRP HD1 . 34164 1 185 . 1 1 16 16 TRP HE1 H 1 10.112 0.020 . 1 . . . . A 267 TRP HE1 . 34164 1 186 . 1 1 16 16 TRP HE3 H 1 7.221 0.020 . 1 . . . . A 267 TRP HE3 . 34164 1 187 . 1 1 16 16 TRP HZ2 H 1 7.335 0.020 . 1 . . . . A 267 TRP HZ2 . 34164 1 188 . 1 1 16 16 TRP HZ3 H 1 6.863 0.020 . 1 . . . . A 267 TRP HZ3 . 34164 1 189 . 1 1 16 16 TRP HH2 H 1 6.991 0.020 . 1 . . . . A 267 TRP HH2 . 34164 1 190 . 1 1 16 16 TRP C C 13 177.058 0.100 . 1 . . . . A 267 TRP C . 34164 1 191 . 1 1 16 16 TRP CA C 13 58.753 0.100 . 1 . . . . A 267 TRP CA . 34164 1 192 . 1 1 16 16 TRP CB C 13 28.661 0.100 . 1 . . . . A 267 TRP CB . 34164 1 193 . 1 1 16 16 TRP CD1 C 13 125.941 0.100 . 1 . . . . A 267 TRP CD1 . 34164 1 194 . 1 1 16 16 TRP CE3 C 13 119.308 0.100 . 1 . . . . A 267 TRP CE3 . 34164 1 195 . 1 1 16 16 TRP CZ2 C 13 113.738 0.100 . 1 . . . . A 267 TRP CZ2 . 34164 1 196 . 1 1 16 16 TRP CZ3 C 13 120.380 0.100 . 1 . . . . A 267 TRP CZ3 . 34164 1 197 . 1 1 16 16 TRP CH2 C 13 123.243 0.100 . 1 . . . . A 267 TRP CH2 . 34164 1 198 . 1 1 16 16 TRP NE1 N 15 128.806 0.100 . 1 . . . . A 267 TRP NE1 . 34164 1 199 . 1 1 17 17 LEU H H 1 7.997 0.020 . 1 . . . . A 268 LEU H . 34164 1 200 . 1 1 17 17 LEU HA H 1 3.976 0.020 . 1 . . . . A 268 LEU HA . 34164 1 201 . 1 1 17 17 LEU HB2 H 1 1.581 0.020 . 1 . . . . A 268 LEU HB2 . 34164 1 202 . 1 1 17 17 LEU HB3 H 1 1.510 0.020 . 1 . . . . A 268 LEU HB3 . 34164 1 203 . 1 1 17 17 LEU HG H 1 1.435 0.020 . 1 . . . . A 268 LEU HG . 34164 1 204 . 1 1 17 17 LEU HD11 H 1 0.872 0.020 . 2 . . . . A 268 LEU HD11 . 34164 1 205 . 1 1 17 17 LEU HD12 H 1 0.872 0.020 . 2 . . . . A 268 LEU HD12 . 34164 1 206 . 1 1 17 17 LEU HD13 H 1 0.872 0.020 . 2 . . . . A 268 LEU HD13 . 34164 1 207 . 1 1 17 17 LEU HD21 H 1 0.923 0.020 . 2 . . . . A 268 LEU HD21 . 34164 1 208 . 1 1 17 17 LEU HD22 H 1 0.923 0.020 . 2 . . . . A 268 LEU HD22 . 34164 1 209 . 1 1 17 17 LEU HD23 H 1 0.923 0.020 . 2 . . . . A 268 LEU HD23 . 34164 1 210 . 1 1 17 17 LEU C C 13 177.412 0.100 . 1 . . . . A 268 LEU C . 34164 1 211 . 1 1 17 17 LEU CA C 13 57.295 0.100 . 1 . . . . A 268 LEU CA . 34164 1 212 . 1 1 17 17 LEU CB C 13 41.266 0.100 . 1 . . . . A 268 LEU CB . 34164 1 213 . 1 1 17 17 LEU CG C 13 25.942 0.100 . 1 . . . . A 268 LEU CG . 34164 1 214 . 1 1 17 17 LEU CD1 C 13 24.851 0.100 . 1 . . . . A 268 LEU CD1 . 34164 1 215 . 1 1 17 17 LEU CD2 C 13 23.212 0.100 . 1 . . . . A 268 LEU CD2 . 34164 1 216 . 1 1 17 17 LEU N N 15 118.327 0.100 . 1 . . . . A 268 LEU N . 34164 1 217 . 1 1 18 18 LEU H H 1 7.679 0.020 . 1 . . . . A 269 LEU H . 34164 1 218 . 1 1 18 18 LEU HA H 1 3.765 0.020 . 1 . . . . A 269 LEU HA . 34164 1 219 . 1 1 18 18 LEU HB2 H 1 1.643 0.020 . 2 . . . . A 269 LEU HB2 . 34164 1 220 . 1 1 18 18 LEU HB3 H 1 1.348 0.020 . 2 . . . . A 269 LEU HB3 . 34164 1 221 . 1 1 18 18 LEU HG H 1 1.647 0.020 . 1 . . . . A 269 LEU HG . 34164 1 222 . 1 1 18 18 LEU HD11 H 1 0.721 0.020 . 2 . . . . A 269 LEU HD11 . 34164 1 223 . 1 1 18 18 LEU HD12 H 1 0.721 0.020 . 2 . . . . A 269 LEU HD12 . 34164 1 224 . 1 1 18 18 LEU HD13 H 1 0.721 0.020 . 2 . . . . A 269 LEU HD13 . 34164 1 225 . 1 1 18 18 LEU HD21 H 1 0.667 0.020 . 2 . . . . A 269 LEU HD21 . 34164 1 226 . 1 1 18 18 LEU HD22 H 1 0.667 0.020 . 2 . . . . A 269 LEU HD22 . 34164 1 227 . 1 1 18 18 LEU HD23 H 1 0.667 0.020 . 2 . . . . A 269 LEU HD23 . 34164 1 228 . 1 1 18 18 LEU C C 13 177.108 0.100 . 1 . . . . A 269 LEU C . 34164 1 229 . 1 1 18 18 LEU CA C 13 57.275 0.100 . 1 . . . . A 269 LEU CA . 34164 1 230 . 1 1 18 18 LEU CB C 13 40.746 0.100 . 1 . . . . A 269 LEU CB . 34164 1 231 . 1 1 18 18 LEU CG C 13 26.341 0.100 . 1 . . . . A 269 LEU CG . 34164 1 232 . 1 1 18 18 LEU CD1 C 13 24.449 0.100 . 1 . . . . A 269 LEU CD1 . 34164 1 233 . 1 1 18 18 LEU CD2 C 13 22.971 0.100 . 1 . . . . A 269 LEU CD2 . 34164 1 234 . 1 1 18 18 LEU N N 15 116.556 0.100 . 1 . . . . A 269 LEU N . 34164 1 235 . 1 1 19 19 ILE H H 1 7.679 0.020 . 1 . . . . A 270 ILE H . 34164 1 236 . 1 1 19 19 ILE HA H 1 3.663 0.020 . 1 . . . . A 270 ILE HA . 34164 1 237 . 1 1 19 19 ILE HB H 1 2.064 0.020 . 1 . . . . A 270 ILE HB . 34164 1 238 . 1 1 19 19 ILE HG12 H 1 1.697 0.020 . 2 . . . . A 270 ILE HG12 . 34164 1 239 . 1 1 19 19 ILE HG13 H 1 1.066 0.020 . 2 . . . . A 270 ILE HG13 . 34164 1 240 . 1 1 19 19 ILE HG21 H 1 0.973 0.020 . 1 . . . . A 270 ILE HG21 . 34164 1 241 . 1 1 19 19 ILE HG22 H 1 0.973 0.020 . 1 . . . . A 270 ILE HG22 . 34164 1 242 . 1 1 19 19 ILE HG23 H 1 0.973 0.020 . 1 . . . . A 270 ILE HG23 . 34164 1 243 . 1 1 19 19 ILE HD11 H 1 0.554 0.020 . 1 . . . . A 270 ILE HD11 . 34164 1 244 . 1 1 19 19 ILE HD12 H 1 0.554 0.020 . 1 . . . . A 270 ILE HD12 . 34164 1 245 . 1 1 19 19 ILE HD13 H 1 0.554 0.020 . 1 . . . . A 270 ILE HD13 . 34164 1 246 . 1 1 19 19 ILE C C 13 176.770 0.100 . 1 . . . . A 270 ILE C . 34164 1 247 . 1 1 19 19 ILE CA C 13 64.560 0.100 . 1 . . . . A 270 ILE CA . 34164 1 248 . 1 1 19 19 ILE CB C 13 36.867 0.100 . 1 . . . . A 270 ILE CB . 34164 1 249 . 1 1 19 19 ILE CG1 C 13 28.817 0.100 . 1 . . . . A 270 ILE CG1 . 34164 1 250 . 1 1 19 19 ILE CG2 C 13 17.249 0.100 . 1 . . . . A 270 ILE CG2 . 34164 1 251 . 1 1 19 19 ILE CD1 C 13 12.630 0.100 . 1 . . . . A 270 ILE CD1 . 34164 1 252 . 1 1 19 19 ILE N N 15 117.509 0.100 . 1 . . . . A 270 ILE N . 34164 1 253 . 1 1 20 20 ILE H H 1 7.893 0.020 . 1 . . . . A 271 ILE H . 34164 1 254 . 1 1 20 20 ILE HA H 1 3.624 0.020 . 1 . . . . A 271 ILE HA . 34164 1 255 . 1 1 20 20 ILE HB H 1 1.813 0.020 . 1 . . . . A 271 ILE HB . 34164 1 256 . 1 1 20 20 ILE HG12 H 1 1.690 0.020 . 2 . . . . A 271 ILE HG12 . 34164 1 257 . 1 1 20 20 ILE HG13 H 1 0.989 0.020 . 2 . . . . A 271 ILE HG13 . 34164 1 258 . 1 1 20 20 ILE HG21 H 1 0.864 0.020 . 1 . . . . A 271 ILE HG21 . 34164 1 259 . 1 1 20 20 ILE HG22 H 1 0.864 0.020 . 1 . . . . A 271 ILE HG22 . 34164 1 260 . 1 1 20 20 ILE HG23 H 1 0.864 0.020 . 1 . . . . A 271 ILE HG23 . 34164 1 261 . 1 1 20 20 ILE HD11 H 1 0.887 0.020 . 1 . . . . A 271 ILE HD11 . 34164 1 262 . 1 1 20 20 ILE HD12 H 1 0.887 0.020 . 1 . . . . A 271 ILE HD12 . 34164 1 263 . 1 1 20 20 ILE HD13 H 1 0.887 0.020 . 1 . . . . A 271 ILE HD13 . 34164 1 264 . 1 1 20 20 ILE C C 13 176.715 0.100 . 1 . . . . A 271 ILE C . 34164 1 265 . 1 1 20 20 ILE CA C 13 64.610 0.100 . 1 . . . . A 271 ILE CA . 34164 1 266 . 1 1 20 20 ILE CB C 13 36.474 0.100 . 1 . . . . A 271 ILE CB . 34164 1 267 . 1 1 20 20 ILE CG1 C 13 28.532 0.100 . 1 . . . . A 271 ILE CG1 . 34164 1 268 . 1 1 20 20 ILE CG2 C 13 16.678 0.100 . 1 . . . . A 271 ILE CG2 . 34164 1 269 . 1 1 20 20 ILE CD1 C 13 12.402 0.100 . 1 . . . . A 271 ILE CD1 . 34164 1 270 . 1 1 20 20 ILE N N 15 119.301 0.100 . 1 . . . . A 271 ILE N . 34164 1 271 . 1 1 21 21 ILE H H 1 8.209 0.020 . 1 . . . . A 272 ILE H . 34164 1 272 . 1 1 21 21 ILE HA H 1 3.542 0.020 . 1 . . . . A 272 ILE HA . 34164 1 273 . 1 1 21 21 ILE HB H 1 1.797 0.020 . 1 . . . . A 272 ILE HB . 34164 1 274 . 1 1 21 21 ILE HG12 H 1 1.662 0.020 . 2 . . . . A 272 ILE HG12 . 34164 1 275 . 1 1 21 21 ILE HG13 H 1 0.976 0.020 . 2 . . . . A 272 ILE HG13 . 34164 1 276 . 1 1 21 21 ILE HG21 H 1 0.635 0.020 . 1 . . . . A 272 ILE HG21 . 34164 1 277 . 1 1 21 21 ILE HG22 H 1 0.635 0.020 . 1 . . . . A 272 ILE HG22 . 34164 1 278 . 1 1 21 21 ILE HG23 H 1 0.635 0.020 . 1 . . . . A 272 ILE HG23 . 34164 1 279 . 1 1 21 21 ILE HD11 H 1 0.671 0.020 . 1 . . . . A 272 ILE HD11 . 34164 1 280 . 1 1 21 21 ILE HD12 H 1 0.671 0.020 . 1 . . . . A 272 ILE HD12 . 34164 1 281 . 1 1 21 21 ILE HD13 H 1 0.671 0.020 . 1 . . . . A 272 ILE HD13 . 34164 1 282 . 1 1 21 21 ILE C C 13 176.962 0.100 . 1 . . . . A 272 ILE C . 34164 1 283 . 1 1 21 21 ILE CA C 13 64.822 0.100 . 1 . . . . A 272 ILE CA . 34164 1 284 . 1 1 21 21 ILE CB C 13 36.962 0.100 . 1 . . . . A 272 ILE CB . 34164 1 285 . 1 1 21 21 ILE CG1 C 13 28.891 0.100 . 1 . . . . A 272 ILE CG1 . 34164 1 286 . 1 1 21 21 ILE CG2 C 13 16.344 0.100 . 1 . . . . A 272 ILE CG2 . 34164 1 287 . 1 1 21 21 ILE CD1 C 13 12.201 0.100 . 1 . . . . A 272 ILE CD1 . 34164 1 288 . 1 1 21 21 ILE N N 15 119.313 0.100 . 1 . . . . A 272 ILE N . 34164 1 289 . 1 1 22 22 PHE H H 1 8.404 0.020 . 1 . . . . A 273 PHE H . 34164 1 290 . 1 1 22 22 PHE HA H 1 4.290 0.020 . 1 . . . . A 273 PHE HA . 34164 1 291 . 1 1 22 22 PHE HB2 H 1 3.225 0.020 . 1 . . . . A 273 PHE HB2 . 34164 1 292 . 1 1 22 22 PHE HB3 H 1 3.121 0.020 . 1 . . . . A 273 PHE HB3 . 34164 1 293 . 1 1 22 22 PHE HD1 H 1 7.109 0.020 . 1 . . . . A 273 PHE HD1 . 34164 1 294 . 1 1 22 22 PHE HD2 H 1 7.109 0.020 . 1 . . . . A 273 PHE HD2 . 34164 1 295 . 1 1 22 22 PHE HE1 H 1 7.096 0.020 . 1 . . . . A 273 PHE HE1 . 34164 1 296 . 1 1 22 22 PHE HE2 H 1 7.096 0.020 . 1 . . . . A 273 PHE HE2 . 34164 1 297 . 1 1 22 22 PHE HZ H 1 7.003 0.020 . 1 . . . . A 273 PHE HZ . 34164 1 298 . 1 1 22 22 PHE C C 13 177.755 0.100 . 1 . . . . A 273 PHE C . 34164 1 299 . 1 1 22 22 PHE CA C 13 60.954 0.100 . 1 . . . . A 273 PHE CA . 34164 1 300 . 1 1 22 22 PHE CB C 13 37.800 0.100 . 1 . . . . A 273 PHE CB . 34164 1 301 . 1 1 22 22 PHE CD1 C 13 130.827 0.100 . 3 . . . . A 273 PHE CD1 . 34164 1 302 . 1 1 22 22 PHE CD2 C 13 130.827 0.100 . 3 . . . . A 273 PHE CD2 . 34164 1 303 . 1 1 22 22 PHE CE1 C 13 130.062 0.100 . 3 . . . . A 273 PHE CE1 . 34164 1 304 . 1 1 22 22 PHE CE2 C 13 130.062 0.100 . 3 . . . . A 273 PHE CE2 . 34164 1 305 . 1 1 22 22 PHE CZ C 13 127.656 0.100 . 1 . . . . A 273 PHE CZ . 34164 1 306 . 1 1 22 22 PHE N N 15 118.019 0.100 . 1 . . . . A 273 PHE N . 34164 1 307 . 1 1 23 23 GLY H H 1 8.675 0.020 . 1 . . . . A 274 GLY H . 34164 1 308 . 1 1 23 23 GLY HA2 H 1 3.827 0.020 . 2 . . . . A 274 GLY HA2 . 34164 1 309 . 1 1 23 23 GLY HA3 H 1 3.940 0.020 . 2 . . . . A 274 GLY HA3 . 34164 1 310 . 1 1 23 23 GLY C C 13 178.413 0.100 . 1 . . . . A 274 GLY C . 34164 1 311 . 1 1 23 23 GLY CA C 13 46.631 0.100 . 1 . . . . A 274 GLY CA . 34164 1 312 . 1 1 23 23 GLY N N 15 108.846 0.100 . 1 . . . . A 274 GLY N . 34164 1 313 . 1 1 24 24 ILE H H 1 8.613 0.020 . 1 . . . . A 275 ILE H . 34164 1 314 . 1 1 24 24 ILE HA H 1 3.632 0.020 . 1 . . . . A 275 ILE HA . 34164 1 315 . 1 1 24 24 ILE HB H 1 1.944 0.020 . 1 . . . . A 275 ILE HB . 34164 1 316 . 1 1 24 24 ILE HG12 H 1 1.780 0.020 . 2 . . . . A 275 ILE HG12 . 34164 1 317 . 1 1 24 24 ILE HG13 H 1 0.910 0.020 . 2 . . . . A 275 ILE HG13 . 34164 1 318 . 1 1 24 24 ILE HG21 H 1 0.784 0.020 . 1 . . . . A 275 ILE HG21 . 34164 1 319 . 1 1 24 24 ILE HG22 H 1 0.784 0.020 . 1 . . . . A 275 ILE HG22 . 34164 1 320 . 1 1 24 24 ILE HG23 H 1 0.784 0.020 . 1 . . . . A 275 ILE HG23 . 34164 1 321 . 1 1 24 24 ILE HD11 H 1 0.695 0.020 . 1 . . . . A 275 ILE HD11 . 34164 1 322 . 1 1 24 24 ILE HD12 H 1 0.695 0.020 . 1 . . . . A 275 ILE HD12 . 34164 1 323 . 1 1 24 24 ILE HD13 H 1 0.695 0.020 . 1 . . . . A 275 ILE HD13 . 34164 1 324 . 1 1 24 24 ILE C C 13 174.291 0.100 . 1 . . . . A 275 ILE C . 34164 1 325 . 1 1 24 24 ILE CA C 13 64.591 0.100 . 1 . . . . A 275 ILE CA . 34164 1 326 . 1 1 24 24 ILE CB C 13 36.574 0.100 . 1 . . . . A 275 ILE CB . 34164 1 327 . 1 1 24 24 ILE CG1 C 13 28.329 0.100 . 1 . . . . A 275 ILE CG1 . 34164 1 328 . 1 1 24 24 ILE CG2 C 13 16.586 0.100 . 1 . . . . A 275 ILE CG2 . 34164 1 329 . 1 1 24 24 ILE CD1 C 13 12.404 0.100 . 1 . . . . A 275 ILE CD1 . 34164 1 330 . 1 1 24 24 ILE N N 15 122.254 0.100 . 1 . . . . A 275 ILE N . 34164 1 331 . 1 1 25 25 PHE H H 1 8.597 0.020 . 1 . . . . A 276 PHE H . 34164 1 332 . 1 1 25 25 PHE HA H 1 4.184 0.020 . 1 . . . . A 276 PHE HA . 34164 1 333 . 1 1 25 25 PHE HB2 H 1 3.151 0.020 . 2 . . . . A 276 PHE HB2 . 34164 1 334 . 1 1 25 25 PHE HB3 H 1 3.118 0.020 . 2 . . . . A 276 PHE HB3 . 34164 1 335 . 1 1 25 25 PHE HD1 H 1 7.133 0.020 . 1 . . . . A 276 PHE HD1 . 34164 1 336 . 1 1 25 25 PHE HD2 H 1 7.133 0.020 . 1 . . . . A 276 PHE HD2 . 34164 1 337 . 1 1 25 25 PHE HE1 H 1 7.013 0.020 . 1 . . . . A 276 PHE HE1 . 34164 1 338 . 1 1 25 25 PHE HE2 H 1 7.013 0.020 . 1 . . . . A 276 PHE HE2 . 34164 1 339 . 1 1 25 25 PHE HZ H 1 6.980 0.020 . 1 . . . . A 276 PHE HZ . 34164 1 340 . 1 1 25 25 PHE C C 13 176.296 0.100 . 1 . . . . A 276 PHE C . 34164 1 341 . 1 1 25 25 PHE CA C 13 60.826 0.100 . 1 . . . . A 276 PHE CA . 34164 1 342 . 1 1 25 25 PHE CB C 13 38.652 0.100 . 1 . . . . A 276 PHE CB . 34164 1 343 . 1 1 25 25 PHE CD1 C 13 130.827 0.100 . 3 . . . . A 276 PHE CD1 . 34164 1 344 . 1 1 25 25 PHE CD2 C 13 130.827 0.100 . 3 . . . . A 276 PHE CD2 . 34164 1 345 . 1 1 25 25 PHE CE1 C 13 129.667 0.100 . 3 . . . . A 276 PHE CE1 . 34164 1 346 . 1 1 25 25 PHE CE2 C 13 129.667 0.100 . 3 . . . . A 276 PHE CE2 . 34164 1 347 . 1 1 25 25 PHE CZ C 13 128.135 0.100 . 1 . . . . A 276 PHE CZ . 34164 1 348 . 1 1 25 25 PHE N N 15 122.123 0.100 . 1 . . . . A 276 PHE N . 34164 1 349 . 1 1 26 26 GLY H H 1 8.917 0.020 . 1 . . . . A 277 GLY H . 34164 1 350 . 1 1 26 26 GLY HA2 H 1 3.482 0.020 . 2 . . . . A 277 GLY HA2 . 34164 1 351 . 1 1 26 26 GLY HA3 H 1 3.575 0.020 . 2 . . . . A 277 GLY HA3 . 34164 1 352 . 1 1 26 26 GLY C C 13 174.211 0.100 . 1 . . . . A 277 GLY C . 34164 1 353 . 1 1 26 26 GLY CA C 13 47.019 0.100 . 1 . . . . A 277 GLY CA . 34164 1 354 . 1 1 26 26 GLY N N 15 106.696 0.100 . 1 . . . . A 277 GLY N . 34164 1 355 . 1 1 27 27 LEU H H 1 8.395 0.020 . 1 . . . . A 278 LEU H . 34164 1 356 . 1 1 27 27 LEU HA H 1 3.870 0.020 . 1 . . . . A 278 LEU HA . 34164 1 357 . 1 1 27 27 LEU HB2 H 1 1.673 0.020 . 2 . . . . A 278 LEU HB2 . 34164 1 358 . 1 1 27 27 LEU HB3 H 1 1.624 0.020 . 2 . . . . A 278 LEU HB3 . 34164 1 359 . 1 1 27 27 LEU HG H 1 1.537 0.020 . 1 . . . . A 278 LEU HG . 34164 1 360 . 1 1 27 27 LEU HD11 H 1 0.615 0.020 . 2 . . . . A 278 LEU HD11 . 34164 1 361 . 1 1 27 27 LEU HD12 H 1 0.615 0.020 . 2 . . . . A 278 LEU HD12 . 34164 1 362 . 1 1 27 27 LEU HD13 H 1 0.615 0.020 . 2 . . . . A 278 LEU HD13 . 34164 1 363 . 1 1 27 27 LEU HD21 H 1 0.618 0.020 . 2 . . . . A 278 LEU HD21 . 34164 1 364 . 1 1 27 27 LEU HD22 H 1 0.618 0.020 . 2 . . . . A 278 LEU HD22 . 34164 1 365 . 1 1 27 27 LEU HD23 H 1 0.618 0.020 . 2 . . . . A 278 LEU HD23 . 34164 1 366 . 1 1 27 27 LEU C C 13 177.186 0.100 . 1 . . . . A 278 LEU C . 34164 1 367 . 1 1 27 27 LEU CA C 13 57.496 0.100 . 1 . . . . A 278 LEU CA . 34164 1 368 . 1 1 27 27 LEU CB C 13 40.988 0.100 . 1 . . . . A 278 LEU CB . 34164 1 369 . 1 1 27 27 LEU CG C 13 26.129 0.100 . 1 . . . . A 278 LEU CG . 34164 1 370 . 1 1 27 27 LEU CD1 C 13 23.754 0.100 . 1 . . . . A 278 LEU CD1 . 34164 1 371 . 1 1 27 27 LEU CD2 C 13 23.493 0.100 . 1 . . . . A 278 LEU CD2 . 34164 1 372 . 1 1 27 27 LEU N N 15 121.488 0.100 . 1 . . . . A 278 LEU N . 34164 1 373 . 1 1 28 28 THR H H 1 7.999 0.020 . 1 . . . . A 279 THR H . 34164 1 374 . 1 1 28 28 THR HA H 1 3.622 0.020 . 1 . . . . A 279 THR HA . 34164 1 375 . 1 1 28 28 THR HB H 1 4.177 0.020 . 1 . . . . A 279 THR HB . 34164 1 376 . 1 1 28 28 THR HG1 H 1 4.000 0.020 . 1 . . . . A 279 THR HG1 . 34164 1 377 . 1 1 28 28 THR HG21 H 1 1.002 0.020 . 1 . . . . A 279 THR HG21 . 34164 1 378 . 1 1 28 28 THR HG22 H 1 1.002 0.020 . 1 . . . . A 279 THR HG22 . 34164 1 379 . 1 1 28 28 THR HG23 H 1 1.002 0.020 . 1 . . . . A 279 THR HG23 . 34164 1 380 . 1 1 28 28 THR C C 13 175.495 0.100 . 1 . . . . A 279 THR C . 34164 1 381 . 1 1 28 28 THR CA C 13 67.603 0.100 . 1 . . . . A 279 THR CA . 34164 1 382 . 1 1 28 28 THR CB C 13 66.972 0.100 . 1 . . . . A 279 THR CB . 34164 1 383 . 1 1 28 28 THR CG2 C 13 20.879 0.100 . 1 . . . . A 279 THR CG2 . 34164 1 384 . 1 1 28 28 THR N N 15 115.636 0.100 . 1 . . . . A 279 THR N . 34164 1 385 . 1 1 29 29 VAL H H 1 8.104 0.020 . 1 . . . . A 280 VAL H . 34164 1 386 . 1 1 29 29 VAL HA H 1 3.455 0.020 . 1 . . . . A 280 VAL HA . 34164 1 387 . 1 1 29 29 VAL HB H 1 2.085 0.020 . 1 . . . . A 280 VAL HB . 34164 1 388 . 1 1 29 29 VAL HG11 H 1 0.800 0.020 . 2 . . . . A 280 VAL HG11 . 34164 1 389 . 1 1 29 29 VAL HG12 H 1 0.800 0.020 . 2 . . . . A 280 VAL HG12 . 34164 1 390 . 1 1 29 29 VAL HG13 H 1 0.800 0.020 . 2 . . . . A 280 VAL HG13 . 34164 1 391 . 1 1 29 29 VAL HG21 H 1 0.573 0.020 . 2 . . . . A 280 VAL HG21 . 34164 1 392 . 1 1 29 29 VAL HG22 H 1 0.573 0.020 . 2 . . . . A 280 VAL HG22 . 34164 1 393 . 1 1 29 29 VAL HG23 H 1 0.573 0.020 . 2 . . . . A 280 VAL HG23 . 34164 1 394 . 1 1 29 29 VAL C C 13 176.846 0.100 . 1 . . . . A 280 VAL C . 34164 1 395 . 1 1 29 29 VAL CA C 13 66.689 0.100 . 1 . . . . A 280 VAL CA . 34164 1 396 . 1 1 29 29 VAL CB C 13 30.583 0.100 . 1 . . . . A 280 VAL CB . 34164 1 397 . 1 1 29 29 VAL CG1 C 13 20.946 0.100 . 1 . . . . A 280 VAL CG1 . 34164 1 398 . 1 1 29 29 VAL CG2 C 13 22.355 0.100 . 1 . . . . A 280 VAL CG2 . 34164 1 399 . 1 1 29 29 VAL N N 15 120.148 0.100 . 1 . . . . A 280 VAL N . 34164 1 400 . 1 1 30 30 MET H H 1 8.057 0.020 . 1 . . . . A 281 MET H . 34164 1 401 . 1 1 30 30 MET HA H 1 3.970 0.020 . 1 . . . . A 281 MET HA . 34164 1 402 . 1 1 30 30 MET HB2 H 1 1.968 0.020 . 2 . . . . A 281 MET HB2 . 34164 1 403 . 1 1 30 30 MET HB3 H 1 1.968 0.020 . 2 . . . . A 281 MET HB3 . 34164 1 404 . 1 1 30 30 MET HG2 H 1 2.253 0.020 . 2 . . . . A 281 MET HG2 . 34164 1 405 . 1 1 30 30 MET HG3 H 1 2.253 0.020 . 2 . . . . A 281 MET HG3 . 34164 1 406 . 1 1 30 30 MET HE1 H 1 1.729 0.020 . 1 . . . . A 281 MET HE1 . 34164 1 407 . 1 1 30 30 MET HE2 H 1 1.729 0.020 . 1 . . . . A 281 MET HE2 . 34164 1 408 . 1 1 30 30 MET HE3 H 1 1.729 0.020 . 1 . . . . A 281 MET HE3 . 34164 1 409 . 1 1 30 30 MET C C 13 177.023 0.100 . 1 . . . . A 281 MET C . 34164 1 410 . 1 1 30 30 MET CA C 13 58.787 0.100 . 1 . . . . A 281 MET CA . 34164 1 411 . 1 1 30 30 MET CB C 13 26.615 0.100 . 1 . . . . A 281 MET CB . 34164 1 412 . 1 1 30 30 MET CG C 13 34.726 0.100 . 1 . . . . A 281 MET CG . 34164 1 413 . 1 1 30 30 MET CE C 13 16.358 0.100 . 1 . . . . A 281 MET CE . 34164 1 414 . 1 1 30 30 MET N N 15 117.433 0.100 . 1 . . . . A 281 MET N . 34164 1 415 . 1 1 31 31 LEU H H 1 8.487 0.020 . 1 . . . . A 282 LEU H . 34164 1 416 . 1 1 31 31 LEU HA H 1 4.018 0.020 . 1 . . . . A 282 LEU HA . 34164 1 417 . 1 1 31 31 LEU HB2 H 1 1.816 0.020 . 2 . . . . A 282 LEU HB2 . 34164 1 418 . 1 1 31 31 LEU HB3 H 1 1.702 0.020 . 2 . . . . A 282 LEU HB3 . 34164 1 419 . 1 1 31 31 LEU HG H 1 1.696 0.020 . 1 . . . . A 282 LEU HG . 34164 1 420 . 1 1 31 31 LEU HD11 H 1 0.749 0.020 . 2 . . . . A 282 LEU HD11 . 34164 1 421 . 1 1 31 31 LEU HD12 H 1 0.749 0.020 . 2 . . . . A 282 LEU HD12 . 34164 1 422 . 1 1 31 31 LEU HD13 H 1 0.749 0.020 . 2 . . . . A 282 LEU HD13 . 34164 1 423 . 1 1 31 31 LEU HD21 H 1 0.759 0.020 . 2 . . . . A 282 LEU HD21 . 34164 1 424 . 1 1 31 31 LEU HD22 H 1 0.759 0.020 . 2 . . . . A 282 LEU HD22 . 34164 1 425 . 1 1 31 31 LEU HD23 H 1 0.759 0.020 . 2 . . . . A 282 LEU HD23 . 34164 1 426 . 1 1 31 31 LEU C C 13 177.843 0.100 . 1 . . . . A 282 LEU C . 34164 1 427 . 1 1 31 31 LEU CA C 13 57.691 0.100 . 1 . . . . A 282 LEU CA . 34164 1 428 . 1 1 31 31 LEU CB C 13 40.836 0.100 . 1 . . . . A 282 LEU CB . 34164 1 429 . 1 1 31 31 LEU CG C 13 26.252 0.100 . 1 . . . . A 282 LEU CG . 34164 1 430 . 1 1 31 31 LEU CD1 C 13 24.758 0.100 . 1 . . . . A 282 LEU CD1 . 34164 1 431 . 1 1 31 31 LEU CD2 C 13 23.776 0.100 . 1 . . . . A 282 LEU CD2 . 34164 1 432 . 1 1 31 31 LEU N N 15 118.984 0.100 . 1 . . . . A 282 LEU N . 34164 1 433 . 1 1 32 32 PHE H H 1 8.391 0.020 . 1 . . . . A 283 PHE H . 34164 1 434 . 1 1 32 32 PHE HA H 1 4.182 0.020 . 1 . . . . A 283 PHE HA . 34164 1 435 . 1 1 32 32 PHE HB2 H 1 3.057 0.020 . 2 . . . . A 283 PHE HB2 . 34164 1 436 . 1 1 32 32 PHE HB3 H 1 3.147 0.020 . 2 . . . . A 283 PHE HB3 . 34164 1 437 . 1 1 32 32 PHE HD1 H 1 7.115 0.020 . 1 . . . . A 283 PHE HD1 . 34164 1 438 . 1 1 32 32 PHE HD2 H 1 7.115 0.020 . 1 . . . . A 283 PHE HD2 . 34164 1 439 . 1 1 32 32 PHE HE1 H 1 7.095 0.020 . 1 . . . . A 283 PHE HE1 . 34164 1 440 . 1 1 32 32 PHE HE2 H 1 7.095 0.020 . 1 . . . . A 283 PHE HE2 . 34164 1 441 . 1 1 32 32 PHE HZ H 1 7.067 0.020 . 1 . . . . A 283 PHE HZ . 34164 1 442 . 1 1 32 32 PHE C C 13 176.773 0.100 . 1 . . . . A 283 PHE C . 34164 1 443 . 1 1 32 32 PHE CA C 13 61.600 0.100 . 1 . . . . A 283 PHE CA . 34164 1 444 . 1 1 32 32 PHE CB C 13 37.713 0.100 . 1 . . . . A 283 PHE CB . 34164 1 445 . 1 1 32 32 PHE CD1 C 13 130.470 0.100 . 3 . . . . A 283 PHE CD1 . 34164 1 446 . 1 1 32 32 PHE CD2 C 13 130.470 0.100 . 3 . . . . A 283 PHE CD2 . 34164 1 447 . 1 1 32 32 PHE CE1 C 13 129.275 0.100 . 3 . . . . A 283 PHE CE1 . 34164 1 448 . 1 1 32 32 PHE CE2 C 13 129.275 0.100 . 3 . . . . A 283 PHE CE2 . 34164 1 449 . 1 1 32 32 PHE CZ C 13 128.317 0.100 . 1 . . . . A 283 PHE CZ . 34164 1 450 . 1 1 32 32 PHE N N 15 118.448 0.100 . 1 . . . . A 283 PHE N . 34164 1 451 . 1 1 33 33 VAL H H 1 8.632 0.020 . 1 . . . . A 284 VAL H . 34164 1 452 . 1 1 33 33 VAL HA H 1 3.502 0.020 . 1 . . . . A 284 VAL HA . 34164 1 453 . 1 1 33 33 VAL HB H 1 2.230 0.020 . 1 . . . . A 284 VAL HB . 34164 1 454 . 1 1 33 33 VAL HG11 H 1 0.835 0.020 . 2 . . . . A 284 VAL HG11 . 34164 1 455 . 1 1 33 33 VAL HG12 H 1 0.835 0.020 . 2 . . . . A 284 VAL HG12 . 34164 1 456 . 1 1 33 33 VAL HG13 H 1 0.835 0.020 . 2 . . . . A 284 VAL HG13 . 34164 1 457 . 1 1 33 33 VAL HG21 H 1 1.096 0.020 . 2 . . . . A 284 VAL HG21 . 34164 1 458 . 1 1 33 33 VAL HG22 H 1 1.096 0.020 . 2 . . . . A 284 VAL HG22 . 34164 1 459 . 1 1 33 33 VAL HG23 H 1 1.096 0.020 . 2 . . . . A 284 VAL HG23 . 34164 1 460 . 1 1 33 33 VAL C C 13 177.415 0.100 . 1 . . . . A 284 VAL C . 34164 1 461 . 1 1 33 33 VAL CA C 13 66.435 0.100 . 1 . . . . A 284 VAL CA . 34164 1 462 . 1 1 33 33 VAL CB C 13 30.659 0.100 . 1 . . . . A 284 VAL CB . 34164 1 463 . 1 1 33 33 VAL CG1 C 13 20.988 0.100 . 1 . . . . A 284 VAL CG1 . 34164 1 464 . 1 1 33 33 VAL CG2 C 13 22.539 0.100 . 1 . . . . A 284 VAL CG2 . 34164 1 465 . 1 1 33 33 VAL N N 15 118.770 0.100 . 1 . . . . A 284 VAL N . 34164 1 466 . 1 1 34 34 PHE H H 1 8.468 0.020 . 1 . . . . A 285 PHE H . 34164 1 467 . 1 1 34 34 PHE HA H 1 4.210 0.020 . 1 . . . . A 285 PHE HA . 34164 1 468 . 1 1 34 34 PHE HB2 H 1 3.141 0.020 . 2 . . . . A 285 PHE HB2 . 34164 1 469 . 1 1 34 34 PHE HB3 H 1 3.206 0.020 . 2 . . . . A 285 PHE HB3 . 34164 1 470 . 1 1 34 34 PHE HD1 H 1 7.141 0.020 . 1 . . . . A 285 PHE HD1 . 34164 1 471 . 1 1 34 34 PHE HD2 H 1 7.141 0.020 . 1 . . . . A 285 PHE HD2 . 34164 1 472 . 1 1 34 34 PHE HE1 H 1 7.138 0.020 . 1 . . . . A 285 PHE HE1 . 34164 1 473 . 1 1 34 34 PHE HE2 H 1 7.138 0.020 . 1 . . . . A 285 PHE HE2 . 34164 1 474 . 1 1 34 34 PHE HZ H 1 7.130 0.020 . 1 . . . . A 285 PHE HZ . 34164 1 475 . 1 1 34 34 PHE C C 13 176.511 0.100 . 1 . . . . A 285 PHE C . 34164 1 476 . 1 1 34 34 PHE CA C 13 60.711 0.100 . 1 . . . . A 285 PHE CA . 34164 1 477 . 1 1 34 34 PHE CB C 13 38.208 0.100 . 1 . . . . A 285 PHE CB . 34164 1 478 . 1 1 34 34 PHE CD1 C 13 130.471 0.100 . 3 . . . . A 285 PHE CD1 . 34164 1 479 . 1 1 34 34 PHE CD2 C 13 130.471 0.100 . 3 . . . . A 285 PHE CD2 . 34164 1 480 . 1 1 34 34 PHE CE1 C 13 129.434 0.100 . 3 . . . . A 285 PHE CE1 . 34164 1 481 . 1 1 34 34 PHE CE2 C 13 129.434 0.100 . 3 . . . . A 285 PHE CE2 . 34164 1 482 . 1 1 34 34 PHE CZ C 13 128.385 0.100 . 1 . . . . A 285 PHE CZ . 34164 1 483 . 1 1 34 34 PHE N N 15 119.287 0.100 . 1 . . . . A 285 PHE N . 34164 1 484 . 1 1 35 35 LEU H H 1 8.527 0.020 . 1 . . . . A 286 LEU H . 34164 1 485 . 1 1 35 35 LEU HA H 1 3.904 0.020 . 1 . . . . A 286 LEU HA . 34164 1 486 . 1 1 35 35 LEU HB2 H 1 1.714 0.020 . 2 . . . . A 286 LEU HB2 . 34164 1 487 . 1 1 35 35 LEU HB3 H 1 1.237 0.020 . 2 . . . . A 286 LEU HB3 . 34164 1 488 . 1 1 35 35 LEU HG H 1 1.803 0.020 . 1 . . . . A 286 LEU HG . 34164 1 489 . 1 1 35 35 LEU HD11 H 1 0.838 0.020 . 2 . . . . A 286 LEU HD11 . 34164 1 490 . 1 1 35 35 LEU HD12 H 1 0.838 0.020 . 2 . . . . A 286 LEU HD12 . 34164 1 491 . 1 1 35 35 LEU HD13 H 1 0.838 0.020 . 2 . . . . A 286 LEU HD13 . 34164 1 492 . 1 1 35 35 LEU HD21 H 1 0.783 0.020 . 2 . . . . A 286 LEU HD21 . 34164 1 493 . 1 1 35 35 LEU HD22 H 1 0.783 0.020 . 2 . . . . A 286 LEU HD22 . 34164 1 494 . 1 1 35 35 LEU HD23 H 1 0.783 0.020 . 2 . . . . A 286 LEU HD23 . 34164 1 495 . 1 1 35 35 LEU C C 13 178.068 0.100 . 1 . . . . A 286 LEU C . 34164 1 496 . 1 1 35 35 LEU CA C 13 56.808 0.100 . 1 . . . . A 286 LEU CA . 34164 1 497 . 1 1 35 35 LEU CB C 13 41.558 0.100 . 1 . . . . A 286 LEU CB . 34164 1 498 . 1 1 35 35 LEU CG C 13 26.237 0.100 . 1 . . . . A 286 LEU CG . 34164 1 499 . 1 1 35 35 LEU CD1 C 13 24.072 0.100 . 1 . . . . A 286 LEU CD1 . 34164 1 500 . 1 1 35 35 LEU CD2 C 13 22.504 0.100 . 1 . . . . A 286 LEU CD2 . 34164 1 501 . 1 1 35 35 LEU N N 15 118.071 0.100 . 1 . . . . A 286 LEU N . 34164 1 502 . 1 1 36 36 PHE H H 1 8.390 0.020 . 1 . . . . A 287 PHE H . 34164 1 503 . 1 1 36 36 PHE HA H 1 4.301 0.020 . 1 . . . . A 287 PHE HA . 34164 1 504 . 1 1 36 36 PHE HB2 H 1 3.062 0.020 . 1 . . . . A 287 PHE HB2 . 34164 1 505 . 1 1 36 36 PHE HB3 H 1 2.810 0.020 . 1 . . . . A 287 PHE HB3 . 34164 1 506 . 1 1 36 36 PHE HD1 H 1 7.128 0.020 . 1 . . . . A 287 PHE HD1 . 34164 1 507 . 1 1 36 36 PHE HD2 H 1 7.128 0.020 . 1 . . . . A 287 PHE HD2 . 34164 1 508 . 1 1 36 36 PHE HE1 H 1 7.118 0.020 . 1 . . . . A 287 PHE HE1 . 34164 1 509 . 1 1 36 36 PHE HE2 H 1 7.118 0.020 . 1 . . . . A 287 PHE HE2 . 34164 1 510 . 1 1 36 36 PHE HZ H 1 7.095 0.020 . 1 . . . . A 287 PHE HZ . 34164 1 511 . 1 1 36 36 PHE C C 13 176.370 0.100 . 1 . . . . A 287 PHE C . 34164 1 512 . 1 1 36 36 PHE CA C 13 59.310 0.100 . 1 . . . . A 287 PHE CA . 34164 1 513 . 1 1 36 36 PHE CB C 13 38.587 0.100 . 1 . . . . A 287 PHE CB . 34164 1 514 . 1 1 36 36 PHE CD1 C 13 130.826 0.100 . 3 . . . . A 287 PHE CD1 . 34164 1 515 . 1 1 36 36 PHE CD2 C 13 130.826 0.100 . 3 . . . . A 287 PHE CD2 . 34164 1 516 . 1 1 36 36 PHE CE1 C 13 129.320 0.100 . 3 . . . . A 287 PHE CE1 . 34164 1 517 . 1 1 36 36 PHE CE2 C 13 129.320 0.100 . 3 . . . . A 287 PHE CE2 . 34164 1 518 . 1 1 36 36 PHE CZ C 13 128.333 0.100 . 1 . . . . A 287 PHE CZ . 34164 1 519 . 1 1 36 36 PHE N N 15 116.998 0.100 . 1 . . . . A 287 PHE N . 34164 1 520 . 1 1 37 37 SER H H 1 7.953 0.020 . 1 . . . . A 288 SER H . 34164 1 521 . 1 1 37 37 SER HA H 1 4.172 0.020 . 1 . . . . A 288 SER HA . 34164 1 522 . 1 1 37 37 SER HB2 H 1 3.870 0.020 . 1 . . . . A 288 SER HB2 . 34164 1 523 . 1 1 37 37 SER HB3 H 1 3.914 0.020 . 1 . . . . A 288 SER HB3 . 34164 1 524 . 1 1 37 37 SER HG H 1 4.574 0.020 . 1 . . . . A 288 SER HG . 34164 1 525 . 1 1 37 37 SER C C 13 174.369 0.100 . 1 . . . . A 288 SER C . 34164 1 526 . 1 1 37 37 SER CA C 13 59.941 0.100 . 1 . . . . A 288 SER CA . 34164 1 527 . 1 1 37 37 SER CB C 13 62.773 0.100 . 1 . . . . A 288 SER CB . 34164 1 528 . 1 1 37 37 SER N N 15 114.233 0.100 . 1 . . . . A 288 SER N . 34164 1 529 . 1 1 38 38 LYS H H 1 7.726 0.020 . 1 . . . . A 289 LYS H . 34164 1 530 . 1 1 38 38 LYS HA H 1 4.130 0.020 . 1 . . . . A 289 LYS HA . 34164 1 531 . 1 1 38 38 LYS HB2 H 1 1.751 0.020 . 2 . . . . A 289 LYS HB2 . 34164 1 532 . 1 1 38 38 LYS HB3 H 1 1.663 0.020 . 2 . . . . A 289 LYS HB3 . 34164 1 533 . 1 1 38 38 LYS HG2 H 1 1.243 0.020 . 2 . . . . A 289 LYS HG2 . 34164 1 534 . 1 1 38 38 LYS HG3 H 1 1.243 0.020 . 2 . . . . A 289 LYS HG3 . 34164 1 535 . 1 1 38 38 LYS HD2 H 1 1.493 0.020 . 2 . . . . A 289 LYS HD2 . 34164 1 536 . 1 1 38 38 LYS HD3 H 1 1.493 0.020 . 2 . . . . A 289 LYS HD3 . 34164 1 537 . 1 1 38 38 LYS HE2 H 1 2.841 0.020 . 2 . . . . A 289 LYS HE2 . 34164 1 538 . 1 1 38 38 LYS HE3 H 1 2.841 0.020 . 2 . . . . A 289 LYS HE3 . 34164 1 539 . 1 1 38 38 LYS C C 13 176.199 0.100 . 1 . . . . A 289 LYS C . 34164 1 540 . 1 1 38 38 LYS CA C 13 55.937 0.100 . 1 . . . . A 289 LYS CA . 34164 1 541 . 1 1 38 38 LYS CB C 13 31.561 0.100 . 1 . . . . A 289 LYS CB . 34164 1 542 . 1 1 38 38 LYS CG C 13 23.641 0.100 . 1 . . . . A 289 LYS CG . 34164 1 543 . 1 1 38 38 LYS CD C 13 28.028 0.100 . 1 . . . . A 289 LYS CD . 34164 1 544 . 1 1 38 38 LYS CE C 13 41.230 0.100 . 1 . . . . A 289 LYS CE . 34164 1 545 . 1 1 38 38 LYS N N 15 120.475 0.100 . 1 . . . . A 289 LYS N . 34164 1 546 . 1 1 39 39 GLN H H 1 7.814 0.020 . 1 . . . . A 290 GLN H . 34164 1 547 . 1 1 39 39 GLN HA H 1 4.143 0.020 . 1 . . . . A 290 GLN HA . 34164 1 548 . 1 1 39 39 GLN HB2 H 1 1.916 0.020 . 2 . . . . A 290 GLN HB2 . 34164 1 549 . 1 1 39 39 GLN HB3 H 1 1.867 0.020 . 2 . . . . A 290 GLN HB3 . 34164 1 550 . 1 1 39 39 GLN HG2 H 1 2.310 0.020 . 2 . . . . A 290 GLN HG2 . 34164 1 551 . 1 1 39 39 GLN HG3 H 1 2.268 0.020 . 2 . . . . A 290 GLN HG3 . 34164 1 552 . 1 1 39 39 GLN HE21 H 1 7.337 0.020 . 2 . . . . A 290 GLN HE21 . 34164 1 553 . 1 1 39 39 GLN HE22 H 1 6.731 0.020 . 2 . . . . A 290 GLN HE22 . 34164 1 554 . 1 1 39 39 GLN C C 13 175.137 0.100 . 1 . . . . A 290 GLN C . 34164 1 555 . 1 1 39 39 GLN CA C 13 55.563 0.100 . 1 . . . . A 290 GLN CA . 34164 1 556 . 1 1 39 39 GLN CB C 13 28.269 0.100 . 1 . . . . A 290 GLN CB . 34164 1 557 . 1 1 39 39 GLN CG C 13 32.986 0.100 . 1 . . . . A 290 GLN CG . 34164 1 558 . 1 1 39 39 GLN N N 15 118.451 0.100 . 1 . . . . A 290 GLN N . 34164 1 559 . 1 1 39 39 GLN NE2 N 15 111.622 0.100 . 1 . . . . A 290 GLN NE2 . 34164 1 560 . 1 1 40 40 GLN H H 1 8.093 0.020 . 1 . . . . A 291 GLN H . 34164 1 561 . 1 1 40 40 GLN HA H 1 4.182 0.020 . 1 . . . . A 291 GLN HA . 34164 1 562 . 1 1 40 40 GLN HB2 H 1 2.024 0.020 . 2 . . . . A 291 GLN HB2 . 34164 1 563 . 1 1 40 40 GLN HB3 H 1 1.870 0.020 . 2 . . . . A 291 GLN HB3 . 34164 1 564 . 1 1 40 40 GLN HG2 H 1 2.210 0.020 . 2 . . . . A 291 GLN HG2 . 34164 1 565 . 1 1 40 40 GLN HG3 H 1 2.112 0.020 . 2 . . . . A 291 GLN HG3 . 34164 1 566 . 1 1 40 40 GLN HE21 H 1 7.335 0.020 . 2 . . . . A 291 GLN HE21 . 34164 1 567 . 1 1 40 40 GLN HE22 H 1 6.725 0.020 . 2 . . . . A 291 GLN HE22 . 34164 1 568 . 1 1 40 40 GLN C C 13 174.806 0.100 . 1 . . . . A 291 GLN C . 34164 1 569 . 1 1 40 40 GLN CA C 13 55.125 0.100 . 1 . . . . A 291 GLN CA . 34164 1 570 . 1 1 40 40 GLN CB C 13 28.540 0.100 . 1 . . . . A 291 GLN CB . 34164 1 571 . 1 1 40 40 GLN CG C 13 33.042 0.100 . 1 . . . . A 291 GLN CG . 34164 1 572 . 1 1 40 40 GLN N N 15 119.358 0.100 . 1 . . . . A 291 GLN N . 34164 1 573 . 1 1 40 40 GLN NE2 N 15 112.024 0.100 . 1 . . . . A 291 GLN NE2 . 34164 1 574 . 1 1 41 41 ARG H H 1 8.054 0.020 . 1 . . . . A 292 ARG H . 34164 1 575 . 1 1 41 41 ARG HA H 1 4.300 0.020 . 1 . . . . A 292 ARG HA . 34164 1 576 . 1 1 41 41 ARG HB2 H 1 1.824 0.020 . 2 . . . . A 292 ARG HB2 . 34164 1 577 . 1 1 41 41 ARG HB3 H 1 1.717 0.020 . 2 . . . . A 292 ARG HB3 . 34164 1 578 . 1 1 41 41 ARG HG2 H 1 1.582 0.020 . 2 . . . . A 292 ARG HG2 . 34164 1 579 . 1 1 41 41 ARG HG3 H 1 1.553 0.020 . 2 . . . . A 292 ARG HG3 . 34164 1 580 . 1 1 41 41 ARG HD2 H 1 3.129 0.020 . 2 . . . . A 292 ARG HD2 . 34164 1 581 . 1 1 41 41 ARG HD3 H 1 3.129 0.020 . 2 . . . . A 292 ARG HD3 . 34164 1 582 . 1 1 41 41 ARG HE H 1 7.309 0.020 . 1 . . . . A 292 ARG HE . 34164 1 583 . 1 1 41 41 ARG C C 13 175.175 0.100 . 1 . . . . A 292 ARG C . 34164 1 584 . 1 1 41 41 ARG CA C 13 55.376 0.100 . 1 . . . . A 292 ARG CA . 34164 1 585 . 1 1 41 41 ARG CB C 13 30.193 0.100 . 1 . . . . A 292 ARG CB . 34164 1 586 . 1 1 41 41 ARG CG C 13 26.509 0.100 . 1 . . . . A 292 ARG CG . 34164 1 587 . 1 1 41 41 ARG CD C 13 42.591 0.100 . 1 . . . . A 292 ARG CD . 34164 1 588 . 1 1 41 41 ARG N N 15 120.772 0.100 . 1 . . . . A 292 ARG N . 34164 1 589 . 1 1 41 41 ARG NE N 15 84.900 0.100 . 1 . . . . A 292 ARG NE . 34164 1 590 . 1 1 42 42 ILE H H 1 8.097 0.020 . 1 . . . . A 293 ILE H . 34164 1 591 . 1 1 42 42 ILE HA H 1 4.110 0.020 . 1 . . . . A 293 ILE HA . 34164 1 592 . 1 1 42 42 ILE HB H 1 1.844 0.020 . 1 . . . . A 293 ILE HB . 34164 1 593 . 1 1 42 42 ILE HG12 H 1 1.434 0.020 . 2 . . . . A 293 ILE HG12 . 34164 1 594 . 1 1 42 42 ILE HG13 H 1 1.138 0.020 . 2 . . . . A 293 ILE HG13 . 34164 1 595 . 1 1 42 42 ILE HG21 H 1 0.870 0.020 . 1 . . . . A 293 ILE HG21 . 34164 1 596 . 1 1 42 42 ILE HG22 H 1 0.870 0.020 . 1 . . . . A 293 ILE HG22 . 34164 1 597 . 1 1 42 42 ILE HG23 H 1 0.870 0.020 . 1 . . . . A 293 ILE HG23 . 34164 1 598 . 1 1 42 42 ILE HD11 H 1 0.809 0.020 . 1 . . . . A 293 ILE HD11 . 34164 1 599 . 1 1 42 42 ILE HD12 H 1 0.809 0.020 . 1 . . . . A 293 ILE HD12 . 34164 1 600 . 1 1 42 42 ILE HD13 H 1 0.809 0.020 . 1 . . . . A 293 ILE HD13 . 34164 1 601 . 1 1 42 42 ILE C C 13 174.169 0.100 . 1 . . . . A 293 ILE C . 34164 1 602 . 1 1 42 42 ILE CA C 13 60.614 0.100 . 1 . . . . A 293 ILE CA . 34164 1 603 . 1 1 42 42 ILE CB C 13 37.936 0.100 . 1 . . . . A 293 ILE CB . 34164 1 604 . 1 1 42 42 ILE CG1 C 13 26.562 0.100 . 1 . . . . A 293 ILE CG1 . 34164 1 605 . 1 1 42 42 ILE CG2 C 13 16.906 0.100 . 1 . . . . A 293 ILE CG2 . 34164 1 606 . 1 1 42 42 ILE CD1 C 13 12.272 0.100 . 1 . . . . A 293 ILE CD1 . 34164 1 607 . 1 1 42 42 ILE N N 15 121.071 0.100 . 1 . . . . A 293 ILE N . 34164 1 608 . 1 1 43 43 LYS H H 1 7.776 0.020 . 1 . . . . A 294 LYS H . 34164 1 609 . 1 1 43 43 LYS HA H 1 4.130 0.020 . 1 . . . . A 294 LYS HA . 34164 1 610 . 1 1 43 43 LYS HB2 H 1 1.757 0.020 . 2 . . . . A 294 LYS HB2 . 34164 1 611 . 1 1 43 43 LYS HB3 H 1 1.669 0.020 . 2 . . . . A 294 LYS HB3 . 34164 1 612 . 1 1 43 43 LYS HG2 H 1 1.337 0.020 . 2 . . . . A 294 LYS HG2 . 34164 1 613 . 1 1 43 43 LYS HG3 H 1 1.337 0.020 . 2 . . . . A 294 LYS HG3 . 34164 1 614 . 1 1 43 43 LYS HD2 H 1 1.623 0.020 . 2 . . . . A 294 LYS HD2 . 34164 1 615 . 1 1 43 43 LYS HD3 H 1 1.623 0.020 . 2 . . . . A 294 LYS HD3 . 34164 1 616 . 1 1 43 43 LYS HE2 H 1 2.939 0.020 . 2 . . . . A 294 LYS HE2 . 34164 1 617 . 1 1 43 43 LYS HE3 H 1 2.939 0.020 . 2 . . . . A 294 LYS HE3 . 34164 1 618 . 1 1 43 43 LYS C C 13 179.498 0.100 . 1 . . . . A 294 LYS C . 34164 1 619 . 1 1 43 43 LYS CA C 13 56.544 0.100 . 1 . . . . A 294 LYS CA . 34164 1 620 . 1 1 43 43 LYS CB C 13 33.071 0.100 . 1 . . . . A 294 LYS CB . 34164 1 621 . 1 1 43 43 LYS CG C 13 23.889 0.100 . 1 . . . . A 294 LYS CG . 34164 1 622 . 1 1 43 43 LYS CD C 13 28.445 0.100 . 1 . . . . A 294 LYS CD . 34164 1 623 . 1 1 43 43 LYS CE C 13 41.435 0.100 . 1 . . . . A 294 LYS CE . 34164 1 624 . 1 1 43 43 LYS N N 15 128.109 0.100 . 1 . . . . A 294 LYS N . 34164 1 stop_ save_