data_19764 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19764 _Entry.Title ; Spatial structure of the dimeric transmembrane domain of Toll-like receptor 3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-02-04 _Entry.Accession_date 2014-02-04 _Entry.Last_release_date 2014-09-15 _Entry.Original_release_date 2014-09-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 10 STRUCTURES' _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.Entry_ID 1 Konstantin Mineev . S. . 19764 2 Sergey Goncharuk . A. . 19764 3 Alexander Arseniev . S. . 19764 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19764 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID dimer . 19764 'Toll-like receptor' . 19764 transmembrane . 19764 'transmembrane domain' . 19764 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19764 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 168 19764 '15N chemical shifts' 34 19764 '1H chemical shifts' 284 19764 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 . . 2014-09-15 2014-02-04 original author . 19764 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MK9 'BMRB Entry Tracking System' 19764 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 19764 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Toll-like Receptor 3 Transmembrane Domain is Able to Perform Various Homotypic Interactions: an NMR Structural Study.' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'To be Published' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _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 . _Citation.Page_last . _Citation.Year . _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.Entry_ID _Citation_author.Citation_ID 1 Konstantin Mineev . . . 19764 1 2 Sergey Goncharuk . . . 19764 1 3 Alexander Arseniev . . . 19764 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19764 _Assembly.ID 1 _Assembly.Name 'dimeric transmembrane domain of Toll-like receptor 3' _Assembly.BMRB_code . _Assembly.Number_of_components 2 _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 1 $entity A . yes native no no . . . 19764 1 2 entity_2 1 $entity B . yes native no no . . . 19764 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19764 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; MDSAPFELFFMINTSILLIF IFIVLLIHFEGWRI ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'fragment corresponds to the transmembrane domain of the human TLR3 receptor residues D698-I730' _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 4089.984 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 yes UNP O15455 . . . . . . . . . . . . . . . . 19764 1 2 no PDB 2MK9 . "Spatial Structure Of The Dimeric Transmembrane Domain Of Toll-like Receptor 3" . . . . . 100.00 34 100.00 100.00 4.81e-13 . . . . 19764 1 3 no PDB 2MKA . "Spatial Structure Of The Toll-like Receptor 3 Transmembrane Domain In The Trimeric State" . . . . . 100.00 34 100.00 100.00 4.81e-13 . . . . 19764 1 4 no DBJ BAG36884 . "unnamed protein product [Homo sapiens]" . . . . . 97.06 904 100.00 100.00 2.81e-11 . . . . 19764 1 5 no DBJ BAG55028 . "toll-like receptor 3 [Homo sapiens]" . . . . . 97.06 904 100.00 100.00 2.81e-11 . . . . 19764 1 6 no DBJ BAG55029 . "toll-like receptor 3 [Pan troglodytes]" . . . . . 97.06 904 96.97 100.00 7.31e-11 . . . . 19764 1 7 no DBJ BAG55030 . "toll-like receptor 3 [Pan paniscus]" . . . . . 97.06 904 96.97 100.00 7.38e-11 . . . . 19764 1 8 no DBJ BAG55031 . "toll-like receptor 3 [Gorilla gorilla]" . . . . . 97.06 904 100.00 100.00 2.79e-11 . . . . 19764 1 9 no GB AAC34134 . "Toll-like receptor 3 [Homo sapiens]" . . . . . 97.06 904 100.00 100.00 2.81e-11 . . . . 19764 1 10 no GB AAH59372 . "TLR3 protein, partial [Homo sapiens]" . . . . . 97.06 870 100.00 100.00 2.51e-11 . . . . 19764 1 11 no GB AAH94737 . "Toll-like receptor 3 [Homo sapiens]" . . . . . 97.06 904 100.00 100.00 2.76e-11 . . . . 19764 1 12 no GB AAH96333 . "Toll-like receptor 3 [Homo sapiens]" . . . . . 97.06 904 100.00 100.00 2.81e-11 . . . . 19764 1 13 no GB AAH96334 . "Toll-like receptor 3 [Homo sapiens]" . . . . . 97.06 904 100.00 100.00 2.81e-11 . . . . 19764 1 14 no REF NP_001123942 . "toll-like receptor 3 precursor [Pan troglodytes]" . . . . . 97.06 904 96.97 100.00 7.31e-11 . . . . 19764 1 15 no REF NP_001266163 . "toll-like receptor 3 precursor [Pan paniscus]" . . . . . 97.06 904 96.97 100.00 7.38e-11 . . . . 19764 1 16 no REF NP_001266681 . "toll-like receptor 3 precursor [Gorilla gorilla]" . . . . . 97.06 904 100.00 100.00 2.79e-11 . . . . 19764 1 17 no REF NP_001277098 . "toll-like receptor 3 precursor [Pteropus alecto]" . . . . . 97.06 905 96.97 96.97 1.42e-10 . . . . 19764 1 18 no REF NP_003256 . "toll-like receptor 3 precursor [Homo sapiens]" . . . . . 97.06 904 100.00 100.00 2.81e-11 . . . . 19764 1 19 no SP O15455 . "RecName: Full=Toll-like receptor 3; AltName: CD_antigen=CD283; Flags: Precursor" . . . . . 97.06 904 100.00 100.00 2.81e-11 . . . . 19764 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 . MET . 19764 1 2 . ASP . 19764 1 3 . SER . 19764 1 4 . ALA . 19764 1 5 . PRO . 19764 1 6 . PHE . 19764 1 7 . GLU . 19764 1 8 . LEU . 19764 1 9 . PHE . 19764 1 10 . PHE . 19764 1 11 . MET . 19764 1 12 . ILE . 19764 1 13 . ASN . 19764 1 14 . THR . 19764 1 15 . SER . 19764 1 16 . ILE . 19764 1 17 . LEU . 19764 1 18 . LEU . 19764 1 19 . ILE . 19764 1 20 . PHE . 19764 1 21 . ILE . 19764 1 22 . PHE . 19764 1 23 . ILE . 19764 1 24 . VAL . 19764 1 25 . LEU . 19764 1 26 . LEU . 19764 1 27 . ILE . 19764 1 28 . HIS . 19764 1 29 . PHE . 19764 1 30 . GLU . 19764 1 31 . GLY . 19764 1 32 . TRP . 19764 1 33 . ARG . 19764 1 34 . ILE . 19764 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 . MET 1 1 19764 1 . ASP 2 2 19764 1 . SER 3 3 19764 1 . ALA 4 4 19764 1 . PRO 5 5 19764 1 . PHE 6 6 19764 1 . GLU 7 7 19764 1 . LEU 8 8 19764 1 . PHE 9 9 19764 1 . PHE 10 10 19764 1 . MET 11 11 19764 1 . ILE 12 12 19764 1 . ASN 13 13 19764 1 . THR 14 14 19764 1 . SER 15 15 19764 1 . ILE 16 16 19764 1 . LEU 17 17 19764 1 . LEU 18 18 19764 1 . ILE 19 19 19764 1 . PHE 20 20 19764 1 . ILE 21 21 19764 1 . PHE 22 22 19764 1 . ILE 23 23 19764 1 . VAL 24 24 19764 1 . LEU 25 25 19764 1 . LEU 26 26 19764 1 . ILE 27 27 19764 1 . HIS 28 28 19764 1 . PHE 29 29 19764 1 . GLU 30 30 19764 1 . GLY 31 31 19764 1 . TRP 32 32 19764 1 . ARG 33 33 19764 1 . ILE 34 34 19764 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 19764 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . $citations 19764 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 19764 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'E. coli - cell free' . . . . . . . . . . . . . . . . . . . . . PET22B . . . . . $citations 19764 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19764 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity 'natural abundance' . . 1 $entity . . 0.8 . . mM . . . . 19764 1 2 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19764 1 3 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19764 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19764 1 5 DPC '[U-99% 2H]' . . . . . . 200 . . mM . . . . 19764 1 6 H2O 'natural abundance' . . . . . . 95 . . . . . . . 19764 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 19764 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 19764 _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' 20 . mM 19764 1 pH 7.5 . pH 19764 1 pressure 1 . atm 19764 1 temperature 318 . K 19764 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19764 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19764 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19764 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19764 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19764 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19764 2 'data analysis' 19764 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19764 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19764 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19764 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19764 _Software.ID 4 _Software.Name TALOS _Software.Version + _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19764 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19764 4 stop_ save_ save_qMDD _Software.Sf_category software _Software.Sf_framecode qMDD _Software.Entry_ID 19764 _Software.ID 5 _Software.Name qMDD _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Orekhov, Mayzel' . . 19764 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19764 5 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 19764 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19764 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 19764 _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 Bruker Avance . 600 . . . 19764 1 2 spectrometer_2 Bruker Avance . 800 . . . 19764 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 19764 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19764 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19764 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19764 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19764 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19764 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19764 1 7 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19764 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19764 1 9 '13C/15N-filtered NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19764 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 19764 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TSP 'methyl carbon' . . . . ppm 0.00 internal direct 0.251449530 . . . . . . . . . 19764 1 H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19764 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19764 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 19764 _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 2 '3D HNCA' . . . 19764 1 3 '3D HNCO' . . . 19764 1 5 '3D HCCH-TOCSY' . . . 19764 1 6 '3D 1H-15N NOESY' . . . 19764 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 19764 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.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 MET HA H 1 4.366 0.01 . 1 . . . A 1 MET HA . 19764 1 2 . 1 1 1 1 MET HB2 H 1 2.061 0.01 . 2 . . . A 1 MET HB2 . 19764 1 3 . 1 1 1 1 MET HB3 H 1 1.985 0.01 . 2 . . . A 1 MET HB3 . 19764 1 4 . 1 1 1 1 MET HG2 H 1 2.453 0.01 . 2 . . . A 1 MET HG2 . 19764 1 5 . 1 1 1 1 MET HG3 H 1 2.535 0.01 . 2 . . . A 1 MET HG3 . 19764 1 6 . 1 1 1 1 MET HE1 H 1 2.004 0.01 . 1 . . . A 1 MET HE1 . 19764 1 7 . 1 1 1 1 MET HE2 H 1 2.004 0.01 . 1 . . . A 1 MET HE2 . 19764 1 8 . 1 1 1 1 MET HE3 H 1 2.004 0.01 . 1 . . . A 1 MET HE3 . 19764 1 9 . 1 1 1 1 MET H H 1 8.583 0.01 . 1 . . . A 1 MET H1 . 19764 1 10 . 1 1 1 1 MET C C 13 174.990 0.10 . 1 . . . A 1 MET C . 19764 1 11 . 1 1 1 1 MET CA C 13 54.614 0.10 . 1 . . . A 1 MET CA . 19764 1 12 . 1 1 1 1 MET CB C 13 33.193 0.10 . 1 . . . A 1 MET CB . 19764 1 13 . 1 1 1 1 MET CG C 13 32.032 0.10 . 1 . . . A 1 MET CG . 19764 1 14 . 1 1 1 1 MET CE C 13 16.899 0.10 . 1 . . . A 1 MET CE . 19764 1 15 . 1 1 1 1 MET N N 15 128.095 0.10 . 1 . . . A 1 MET N . 19764 1 16 . 1 1 2 2 ASP H H 1 8.445 0.01 . 1 . . . A 2 ASP H . 19764 1 17 . 1 1 2 2 ASP HA H 1 4.701 0.01 . 1 . . . A 2 ASP HA . 19764 1 18 . 1 1 2 2 ASP HB2 H 1 2.803 0.01 . 1 . . . A 2 ASP HB2 . 19764 1 19 . 1 1 2 2 ASP HB3 H 1 2.803 0.01 . 1 . . . A 2 ASP HB3 . 19764 1 20 . 1 1 2 2 ASP C C 13 175.219 0.10 . 1 . . . A 2 ASP C . 19764 1 21 . 1 1 2 2 ASP CA C 13 53.518 0.10 . 1 . . . A 2 ASP CA . 19764 1 22 . 1 1 2 2 ASP CB C 13 39.533 0.10 . 1 . . . A 2 ASP CB . 19764 1 23 . 1 1 2 2 ASP N N 15 118.854 0.10 . 1 . . . A 2 ASP N . 19764 1 24 . 1 1 3 3 SER H H 1 7.993 0.01 . 1 . . . A 3 SER H . 19764 1 25 . 1 1 3 3 SER HA H 1 4.513 0.01 . 1 . . . A 3 SER HA . 19764 1 26 . 1 1 3 3 SER HB2 H 1 3.933 0.01 . 1 . . . A 3 SER HB2 . 19764 1 27 . 1 1 3 3 SER HB3 H 1 3.933 0.01 . 1 . . . A 3 SER HB3 . 19764 1 28 . 1 1 3 3 SER C C 13 174.542 0.10 . 1 . . . A 3 SER C . 19764 1 29 . 1 1 3 3 SER CA C 13 58.447 0.10 . 1 . . . A 3 SER CA . 19764 1 30 . 1 1 3 3 SER CB C 13 63.931 0.10 . 1 . . . A 3 SER CB . 19764 1 31 . 1 1 3 3 SER N N 15 114.607 0.10 . 1 . . . A 3 SER N . 19764 1 32 . 1 1 4 4 ALA H H 1 8.476 0.01 . 1 . . . A 4 ALA H . 19764 1 33 . 1 1 4 4 ALA HA H 1 4.475 0.01 . 1 . . . A 4 ALA HA . 19764 1 34 . 1 1 4 4 ALA HB1 H 1 1.469 0.01 . 1 . . . A 4 ALA HB1 . 19764 1 35 . 1 1 4 4 ALA HB2 H 1 1.469 0.01 . 1 . . . A 4 ALA HB2 . 19764 1 36 . 1 1 4 4 ALA HB3 H 1 1.469 0.01 . 1 . . . A 4 ALA HB3 . 19764 1 37 . 1 1 4 4 ALA CA C 13 54.340 0.10 . 1 . . . A 4 ALA CA . 19764 1 38 . 1 1 4 4 ALA CB C 13 16.965 0.10 . 1 . . . A 4 ALA CB . 19764 1 39 . 1 1 4 4 ALA N N 15 125.695 0.10 . 1 . . . A 4 ALA N . 19764 1 40 . 1 1 5 5 PRO HA H 1 4.273 0.01 . 1 . . . A 5 PRO HA . 19764 1 41 . 1 1 5 5 PRO HB2 H 1 2.133 0.01 . 2 . . . A 5 PRO HB2 . 19764 1 42 . 1 1 5 5 PRO HB3 H 1 1.744 0.01 . 2 . . . A 5 PRO HB3 . 19764 1 43 . 1 1 5 5 PRO HG2 H 1 2.037 0.01 . 2 . . . A 5 PRO HG2 . 19764 1 44 . 1 1 5 5 PRO HG3 H 1 1.954 0.01 . 2 . . . A 5 PRO HG3 . 19764 1 45 . 1 1 5 5 PRO HD2 H 1 3.757 0.01 . 1 . . . A 5 PRO HD2 . 19764 1 46 . 1 1 5 5 PRO HD3 H 1 3.757 0.01 . 1 . . . A 5 PRO HD3 . 19764 1 47 . 1 1 5 5 PRO C C 13 177.273 0.10 . 1 . . . A 5 PRO C . 19764 1 48 . 1 1 5 5 PRO CA C 13 65.399 0.10 . 1 . . . A 5 PRO CA . 19764 1 49 . 1 1 5 5 PRO CB C 13 30.875 0.10 . 1 . . . A 5 PRO CB . 19764 1 50 . 1 1 5 5 PRO CG C 13 27.859 0.10 . 1 . . . A 5 PRO CG . 19764 1 51 . 1 1 5 5 PRO CD C 13 49.884 0.10 . 1 . . . A 5 PRO CD . 19764 1 52 . 1 1 6 6 PHE H H 1 7.769 0.01 . 1 . . . A 6 PHE H . 19764 1 53 . 1 1 6 6 PHE HA H 1 4.255 0.01 . 1 . . . A 6 PHE HA . 19764 1 54 . 1 1 6 6 PHE HB2 H 1 3.189 0.01 . 1 . . . A 6 PHE HB2 . 19764 1 55 . 1 1 6 6 PHE HB3 H 1 3.189 0.01 . 1 . . . A 6 PHE HB3 . 19764 1 56 . 1 1 6 6 PHE HD1 H 1 7.239 0.01 . 1 . . . A 6 PHE HD1 . 19764 1 57 . 1 1 6 6 PHE HD2 H 1 7.239 0.01 . 1 . . . A 6 PHE HD2 . 19764 1 58 . 1 1 6 6 PHE C C 13 177.011 0.10 . 1 . . . A 6 PHE C . 19764 1 59 . 1 1 6 6 PHE CA C 13 61.203 0.10 . 1 . . . A 6 PHE CA . 19764 1 60 . 1 1 6 6 PHE CB C 13 38.703 0.10 . 1 . . . A 6 PHE CB . 19764 1 61 . 1 1 6 6 PHE CD2 C 13 131.479 0.10 . 1 . . . A 6 PHE CD2 . 19764 1 62 . 1 1 6 6 PHE N N 15 116.345 0.10 . 1 . . . A 6 PHE N . 19764 1 63 . 1 1 7 7 GLU H H 1 8.334 0.01 . 1 . . . A 7 GLU H . 19764 1 64 . 1 1 7 7 GLU HA H 1 3.972 0.01 . 1 . . . A 7 GLU HA . 19764 1 65 . 1 1 7 7 GLU HB2 H 1 2.324 0.01 . 2 . . . A 7 GLU HB2 . 19764 1 66 . 1 1 7 7 GLU HB3 H 1 2.138 0.01 . 2 . . . A 7 GLU HB3 . 19764 1 67 . 1 1 7 7 GLU HG2 H 1 2.574 0.01 . 2 . . . A 7 GLU HG2 . 19764 1 68 . 1 1 7 7 GLU HG3 H 1 2.370 0.01 . 2 . . . A 7 GLU HG3 . 19764 1 69 . 1 1 7 7 GLU C C 13 177.743 0.10 . 1 . . . A 7 GLU C . 19764 1 70 . 1 1 7 7 GLU CA C 13 59.818 0.10 . 1 . . . A 7 GLU CA . 19764 1 71 . 1 1 7 7 GLU CB C 13 28.080 0.10 . 1 . . . A 7 GLU CB . 19764 1 72 . 1 1 7 7 GLU CG C 13 33.711 0.10 . 1 . . . A 7 GLU CG . 19764 1 73 . 1 1 7 7 GLU N N 15 118.531 0.10 . 1 . . . A 7 GLU N . 19764 1 74 . 1 1 8 8 LEU H H 1 8.254 0.01 . 1 . . . A 8 LEU H . 19764 1 75 . 1 1 8 8 LEU HA H 1 4.112 0.01 . 1 . . . A 8 LEU HA . 19764 1 76 . 1 1 8 8 LEU HB2 H 1 1.720 0.01 . 1 . . . A 8 LEU HB2 . 19764 1 77 . 1 1 8 8 LEU HB3 H 1 1.720 0.01 . 1 . . . A 8 LEU HB3 . 19764 1 78 . 1 1 8 8 LEU HG H 1 1.658 0.01 . 1 . . . A 8 LEU HG . 19764 1 79 . 1 1 8 8 LEU HD11 H 1 0.875 0.01 . 2 . . . A 8 LEU HD11 . 19764 1 80 . 1 1 8 8 LEU HD12 H 1 0.875 0.01 . 2 . . . A 8 LEU HD12 . 19764 1 81 . 1 1 8 8 LEU HD13 H 1 0.875 0.01 . 2 . . . A 8 LEU HD13 . 19764 1 82 . 1 1 8 8 LEU HD21 H 1 0.917 0.01 . 2 . . . A 8 LEU HD21 . 19764 1 83 . 1 1 8 8 LEU HD22 H 1 0.917 0.01 . 2 . . . A 8 LEU HD22 . 19764 1 84 . 1 1 8 8 LEU HD23 H 1 0.917 0.01 . 2 . . . A 8 LEU HD23 . 19764 1 85 . 1 1 8 8 LEU C C 13 177.995 0.10 . 1 . . . A 8 LEU C . 19764 1 86 . 1 1 8 8 LEU CA C 13 58.093 0.10 . 1 . . . A 8 LEU CA . 19764 1 87 . 1 1 8 8 LEU CB C 13 41.424 0.10 . 1 . . . A 8 LEU CB . 19764 1 88 . 1 1 8 8 LEU CG C 13 26.991 0.10 . 1 . . . A 8 LEU CG . 19764 1 89 . 1 1 8 8 LEU CD1 C 13 24.623 0.10 . 1 . . . A 8 LEU CD1 . 19764 1 90 . 1 1 8 8 LEU CD2 C 13 24.033 0.10 . 1 . . . A 8 LEU CD2 . 19764 1 91 . 1 1 8 8 LEU N N 15 119.001 0.10 . 1 . . . A 8 LEU N . 19764 1 92 . 1 1 9 9 PHE H H 1 8.148 0.01 . 1 . . . A 9 PHE H . 19764 1 93 . 1 1 9 9 PHE HA H 1 4.071 0.01 . 1 . . . A 9 PHE HA . 19764 1 94 . 1 1 9 9 PHE HB2 H 1 3.132 0.01 . 1 . . . A 9 PHE HB2 . 19764 1 95 . 1 1 9 9 PHE HB3 H 1 3.132 0.01 . 1 . . . A 9 PHE HB3 . 19764 1 96 . 1 1 9 9 PHE HD1 H 1 6.942 0.01 . 1 . . . A 9 PHE HD1 . 19764 1 97 . 1 1 9 9 PHE HD2 H 1 6.942 0.01 . 1 . . . A 9 PHE HD2 . 19764 1 98 . 1 1 9 9 PHE HE1 H 1 7.250 0.01 . 1 . . . A 9 PHE HE1 . 19764 1 99 . 1 1 9 9 PHE HE2 H 1 7.250 0.01 . 1 . . . A 9 PHE HE2 . 19764 1 100 . 1 1 9 9 PHE HZ H 1 7.090 0.01 . 1 . . . A 9 PHE HZ . 19764 1 101 . 1 1 9 9 PHE C C 13 177.219 0.10 . 1 . . . A 9 PHE C . 19764 1 102 . 1 1 9 9 PHE CA C 13 61.496 0.10 . 1 . . . A 9 PHE CA . 19764 1 103 . 1 1 9 9 PHE CB C 13 38.768 0.10 . 1 . . . A 9 PHE CB . 19764 1 104 . 1 1 9 9 PHE CD2 C 13 131.166 0.10 . 1 . . . A 9 PHE CD2 . 19764 1 105 . 1 1 9 9 PHE CE2 C 13 131.420 0.10 . 1 . . . A 9 PHE CE2 . 19764 1 106 . 1 1 9 9 PHE CZ C 13 129.733 0.10 . 1 . . . A 9 PHE CZ . 19764 1 107 . 1 1 9 9 PHE N N 15 118.536 0.10 . 1 . . . A 9 PHE N . 19764 1 108 . 1 1 10 10 PHE H H 1 8.572 0.01 . 1 . . . A 10 PHE H . 19764 1 109 . 1 1 10 10 PHE HA H 1 4.067 0.01 . 1 . . . A 10 PHE HA . 19764 1 110 . 1 1 10 10 PHE HB2 H 1 3.184 0.01 . 2 . . . A 10 PHE HB2 . 19764 1 111 . 1 1 10 10 PHE HB3 H 1 3.045 0.01 . 2 . . . A 10 PHE HB3 . 19764 1 112 . 1 1 10 10 PHE HD1 H 1 7.167 0.01 . 1 . . . A 10 PHE HD1 . 19764 1 113 . 1 1 10 10 PHE HD2 H 1 7.167 0.01 . 1 . . . A 10 PHE HD2 . 19764 1 114 . 1 1 10 10 PHE HE1 H 1 7.236 0.01 . 1 . . . A 10 PHE HE1 . 19764 1 115 . 1 1 10 10 PHE HE2 H 1 7.236 0.01 . 1 . . . A 10 PHE HE2 . 19764 1 116 . 1 1 10 10 PHE CA C 13 61.545 0.10 . 1 . . . A 10 PHE CA . 19764 1 117 . 1 1 10 10 PHE CB C 13 38.850 0.10 . 1 . . . A 10 PHE CB . 19764 1 118 . 1 1 10 10 PHE CD2 C 13 129.146 0.10 . 1 . . . A 10 PHE CD2 . 19764 1 119 . 1 1 10 10 PHE CE2 C 13 130.831 0.10 . 1 . . . A 10 PHE CE2 . 19764 1 120 . 1 1 10 10 PHE N N 15 119.124 0.10 . 1 . . . A 10 PHE N . 19764 1 121 . 1 1 11 11 MET H H 1 8.555 0.01 . 1 . . . A 11 MET H . 19764 1 122 . 1 1 11 11 MET HA H 1 4.019 0.01 . 1 . . . A 11 MET HA . 19764 1 123 . 1 1 11 11 MET HB2 H 1 2.084 0.01 . 2 . . . A 11 MET HB2 . 19764 1 124 . 1 1 11 11 MET HB3 H 1 2.334 0.01 . 2 . . . A 11 MET HB3 . 19764 1 125 . 1 1 11 11 MET HG2 H 1 2.784 0.01 . 2 . . . A 11 MET HG2 . 19764 1 126 . 1 1 11 11 MET HG3 H 1 2.509 0.01 . 2 . . . A 11 MET HG3 . 19764 1 127 . 1 1 11 11 MET HE1 H 1 2.007 0.01 . 1 . . . A 11 MET HE1 . 19764 1 128 . 1 1 11 11 MET HE2 H 1 2.007 0.01 . 1 . . . A 11 MET HE2 . 19764 1 129 . 1 1 11 11 MET HE3 H 1 2.007 0.01 . 1 . . . A 11 MET HE3 . 19764 1 130 . 1 1 11 11 MET C C 13 178.246 0.10 . 1 . . . A 11 MET C . 19764 1 131 . 1 1 11 11 MET CA C 13 59.255 0.10 . 1 . . . A 11 MET CA . 19764 1 132 . 1 1 11 11 MET CB C 13 32.680 0.10 . 1 . . . A 11 MET CB . 19764 1 133 . 1 1 11 11 MET CG C 13 32.727 0.10 . 1 . . . A 11 MET CG . 19764 1 134 . 1 1 11 11 MET CE C 13 17.174 0.10 . 1 . . . A 11 MET CE . 19764 1 135 . 1 1 11 11 MET N N 15 120.911 0.10 . 1 . . . A 11 MET N . 19764 1 136 . 1 1 12 12 ILE H H 1 8.536 0.01 . 1 . . . A 12 ILE H . 19764 1 137 . 1 1 12 12 ILE HA H 1 3.560 0.01 . 1 . . . A 12 ILE HA . 19764 1 138 . 1 1 12 12 ILE HB H 1 1.808 0.01 . 1 . . . A 12 ILE HB . 19764 1 139 . 1 1 12 12 ILE HG12 H 1 1.736 0.01 . 2 . . . A 12 ILE HG12 . 19764 1 140 . 1 1 12 12 ILE HG13 H 1 0.989 0.01 . 2 . . . A 12 ILE HG13 . 19764 1 141 . 1 1 12 12 ILE HG21 H 1 0.763 0.01 . 1 . . . A 12 ILE HG21 . 19764 1 142 . 1 1 12 12 ILE HG22 H 1 0.763 0.01 . 1 . . . A 12 ILE HG22 . 19764 1 143 . 1 1 12 12 ILE HG23 H 1 0.763 0.01 . 1 . . . A 12 ILE HG23 . 19764 1 144 . 1 1 12 12 ILE HD11 H 1 0.733 0.01 . 1 . . . A 12 ILE HD11 . 19764 1 145 . 1 1 12 12 ILE HD12 H 1 0.733 0.01 . 1 . . . A 12 ILE HD12 . 19764 1 146 . 1 1 12 12 ILE HD13 H 1 0.733 0.01 . 1 . . . A 12 ILE HD13 . 19764 1 147 . 1 1 12 12 ILE C C 13 176.760 0.10 . 1 . . . A 12 ILE C . 19764 1 148 . 1 1 12 12 ILE CA C 13 65.194 0.10 . 1 . . . A 12 ILE CA . 19764 1 149 . 1 1 12 12 ILE CB C 13 37.587 0.10 . 1 . . . A 12 ILE CB . 19764 1 150 . 1 1 12 12 ILE CG1 C 13 29.118 0.10 . 1 . . . A 12 ILE CG1 . 19764 1 151 . 1 1 12 12 ILE CG2 C 13 16.801 0.10 . 1 . . . A 12 ILE CG2 . 19764 1 152 . 1 1 12 12 ILE CD1 C 13 13.054 0.10 . 1 . . . A 12 ILE CD1 . 19764 1 153 . 1 1 12 12 ILE N N 15 120.842 0.10 . 1 . . . A 12 ILE N . 19764 1 154 . 1 1 13 13 ASN H H 1 8.097 0.01 . 1 . . . A 13 ASN H . 19764 1 155 . 1 1 13 13 ASN HA H 1 4.144 0.01 . 1 . . . A 13 ASN HA . 19764 1 156 . 1 1 13 13 ASN HB2 H 1 2.277 0.01 . 1 . . . A 13 ASN HB2 . 19764 1 157 . 1 1 13 13 ASN HB3 H 1 2.277 0.01 . 1 . . . A 13 ASN HB3 . 19764 1 158 . 1 1 13 13 ASN HD21 H 1 7.071 0.01 . 1 . . . A 13 ASN HD21 . 19764 1 159 . 1 1 13 13 ASN C C 13 176.858 0.10 . 1 . . . A 13 ASN C . 19764 1 160 . 1 1 13 13 ASN CA C 13 57.064 0.10 . 1 . . . A 13 ASN CA . 19764 1 161 . 1 1 13 13 ASN CB C 13 38.939 0.10 . 1 . . . A 13 ASN CB . 19764 1 162 . 1 1 13 13 ASN N N 15 117.647 0.10 . 1 . . . A 13 ASN N . 19764 1 163 . 1 1 14 14 THR H H 1 8.018 0.01 . 1 . . . A 14 THR H . 19764 1 164 . 1 1 14 14 THR HA H 1 3.651 0.01 . 1 . . . A 14 THR HA . 19764 1 165 . 1 1 14 14 THR HB H 1 3.963 0.01 . 1 . . . A 14 THR HB . 19764 1 166 . 1 1 14 14 THR HG1 H 1 4.583 0.01 . 1 . . . A 14 THR HG1 . 19764 1 167 . 1 1 14 14 THR HG21 H 1 1.009 0.01 . 1 . . . A 14 THR HG21 . 19764 1 168 . 1 1 14 14 THR HG22 H 1 1.009 0.01 . 1 . . . A 14 THR HG22 . 19764 1 169 . 1 1 14 14 THR HG23 H 1 1.009 0.01 . 1 . . . A 14 THR HG23 . 19764 1 170 . 1 1 14 14 THR C C 13 175.252 0.10 . 1 . . . A 14 THR C . 19764 1 171 . 1 1 14 14 THR CA C 13 67.551 0.10 . 1 . . . A 14 THR CA . 19764 1 172 . 1 1 14 14 THR CB C 13 67.810 0.10 . 1 . . . A 14 THR CB . 19764 1 173 . 1 1 14 14 THR CG2 C 13 21.263 0.10 . 1 . . . A 14 THR CG2 . 19764 1 174 . 1 1 14 14 THR N N 15 114.513 0.10 . 1 . . . A 14 THR N . 19764 1 175 . 1 1 15 15 SER H H 1 7.733 0.01 . 1 . . . A 15 SER H . 19764 1 176 . 1 1 15 15 SER HA H 1 3.986 0.01 . 1 . . . A 15 SER HA . 19764 1 177 . 1 1 15 15 SER HB2 H 1 3.982 0.01 . 2 . . . A 15 SER HB2 . 19764 1 178 . 1 1 15 15 SER HB3 H 1 3.632 0.01 . 2 . . . A 15 SER HB3 . 19764 1 179 . 1 1 15 15 SER C C 13 174.782 0.10 . 1 . . . A 15 SER C . 19764 1 180 . 1 1 15 15 SER CA C 13 63.103 0.10 . 1 . . . A 15 SER CA . 19764 1 181 . 1 1 15 15 SER CB C 13 62.684 0.10 . 1 . . . A 15 SER CB . 19764 1 182 . 1 1 15 15 SER N N 15 117.295 0.10 . 1 . . . A 15 SER N . 19764 1 183 . 1 1 16 16 ILE H H 1 7.747 0.01 . 1 . . . A 16 ILE H . 19764 1 184 . 1 1 16 16 ILE HA H 1 3.508 0.01 . 1 . . . A 16 ILE HA . 19764 1 185 . 1 1 16 16 ILE HB H 1 1.788 0.01 . 1 . . . A 16 ILE HB . 19764 1 186 . 1 1 16 16 ILE HG12 H 1 1.676 0.01 . 2 . . . A 16 ILE HG12 . 19764 1 187 . 1 1 16 16 ILE HG13 H 1 0.898 0.01 . 2 . . . A 16 ILE HG13 . 19764 1 188 . 1 1 16 16 ILE HG21 H 1 0.633 0.01 . 1 . . . A 16 ILE HG21 . 19764 1 189 . 1 1 16 16 ILE HG22 H 1 0.633 0.01 . 1 . . . A 16 ILE HG22 . 19764 1 190 . 1 1 16 16 ILE HG23 H 1 0.633 0.01 . 1 . . . A 16 ILE HG23 . 19764 1 191 . 1 1 16 16 ILE HD11 H 1 0.635 0.01 . 1 . . . A 16 ILE HD11 . 19764 1 192 . 1 1 16 16 ILE HD12 H 1 0.635 0.01 . 1 . . . A 16 ILE HD12 . 19764 1 193 . 1 1 16 16 ILE HD13 H 1 0.635 0.01 . 1 . . . A 16 ILE HD13 . 19764 1 194 . 1 1 16 16 ILE C C 13 176.694 0.10 . 1 . . . A 16 ILE C . 19764 1 195 . 1 1 16 16 ILE CA C 13 64.887 0.10 . 1 . . . A 16 ILE CA . 19764 1 196 . 1 1 16 16 ILE CB C 13 37.036 0.10 . 1 . . . A 16 ILE CB . 19764 1 197 . 1 1 16 16 ILE CG1 C 13 28.819 0.10 . 1 . . . A 16 ILE CG1 . 19764 1 198 . 1 1 16 16 ILE CG2 C 13 17.241 0.10 . 1 . . . A 16 ILE CG2 . 19764 1 199 . 1 1 16 16 ILE CD1 C 13 12.761 0.10 . 1 . . . A 16 ILE CD1 . 19764 1 200 . 1 1 16 16 ILE N N 15 120.420 0.10 . 1 . . . A 16 ILE N . 19764 1 201 . 1 1 17 17 LEU H H 1 7.677 0.01 . 1 . . . A 17 LEU H . 19764 1 202 . 1 1 17 17 LEU HA H 1 4.007 0.01 . 1 . . . A 17 LEU HA . 19764 1 203 . 1 1 17 17 LEU HB2 H 1 1.750 0.01 . 2 . . . A 17 LEU HB2 . 19764 1 204 . 1 1 17 17 LEU HB3 H 1 1.711 0.01 . 2 . . . A 17 LEU HB3 . 19764 1 205 . 1 1 17 17 LEU HG H 1 1.689 0.01 . 1 . . . A 17 LEU HG . 19764 1 206 . 1 1 17 17 LEU HD11 H 1 0.813 0.01 . 2 . . . A 17 LEU HD11 . 19764 1 207 . 1 1 17 17 LEU HD12 H 1 0.813 0.01 . 2 . . . A 17 LEU HD12 . 19764 1 208 . 1 1 17 17 LEU HD13 H 1 0.813 0.01 . 2 . . . A 17 LEU HD13 . 19764 1 209 . 1 1 17 17 LEU HD21 H 1 0.867 0.01 . 2 . . . A 17 LEU HD21 . 19764 1 210 . 1 1 17 17 LEU HD22 H 1 0.867 0.01 . 2 . . . A 17 LEU HD22 . 19764 1 211 . 1 1 17 17 LEU HD23 H 1 0.867 0.01 . 2 . . . A 17 LEU HD23 . 19764 1 212 . 1 1 17 17 LEU C C 13 178.060 0.10 . 1 . . . A 17 LEU C . 19764 1 213 . 1 1 17 17 LEU CA C 13 58.262 0.10 . 1 . . . A 17 LEU CA . 19764 1 214 . 1 1 17 17 LEU CB C 13 41.525 0.10 . 1 . . . A 17 LEU CB . 19764 1 215 . 1 1 17 17 LEU CG C 13 26.795 0.10 . 1 . . . A 17 LEU CG . 19764 1 216 . 1 1 17 17 LEU CD1 C 13 24.413 0.10 . 1 . . . A 17 LEU CD1 . 19764 1 217 . 1 1 17 17 LEU CD2 C 13 23.878 0.10 . 1 . . . A 17 LEU CD2 . 19764 1 218 . 1 1 17 17 LEU N N 15 119.529 0.10 . 1 . . . A 17 LEU N . 19764 1 219 . 1 1 18 18 LEU H H 1 8.087 0.01 . 1 . . . A 18 LEU H . 19764 1 220 . 1 1 18 18 LEU HA H 1 3.929 0.01 . 1 . . . A 18 LEU HA . 19764 1 221 . 1 1 18 18 LEU HB2 H 1 1.879 0.01 . 2 . . . A 18 LEU HB2 . 19764 1 222 . 1 1 18 18 LEU HB3 H 1 1.405 0.01 . 2 . . . A 18 LEU HB3 . 19764 1 223 . 1 1 18 18 LEU HG H 1 1.777 0.01 . 1 . . . A 18 LEU HG . 19764 1 224 . 1 1 18 18 LEU HD11 H 1 0.783 0.01 . 2 . . . A 18 LEU HD11 . 19764 1 225 . 1 1 18 18 LEU HD12 H 1 0.783 0.01 . 2 . . . A 18 LEU HD12 . 19764 1 226 . 1 1 18 18 LEU HD13 H 1 0.783 0.01 . 2 . . . A 18 LEU HD13 . 19764 1 227 . 1 1 18 18 LEU HD21 H 1 0.766 0.01 . 2 . . . A 18 LEU HD21 . 19764 1 228 . 1 1 18 18 LEU HD22 H 1 0.766 0.01 . 2 . . . A 18 LEU HD22 . 19764 1 229 . 1 1 18 18 LEU HD23 H 1 0.766 0.01 . 2 . . . A 18 LEU HD23 . 19764 1 230 . 1 1 18 18 LEU C C 13 178.016 0.10 . 1 . . . A 18 LEU C . 19764 1 231 . 1 1 18 18 LEU CA C 13 58.168 0.10 . 1 . . . A 18 LEU CA . 19764 1 232 . 1 1 18 18 LEU CB C 13 41.416 0.10 . 1 . . . A 18 LEU CB . 19764 1 233 . 1 1 18 18 LEU CG C 13 26.603 0.10 . 1 . . . A 18 LEU CG . 19764 1 234 . 1 1 18 18 LEU CD1 C 13 24.930 0.10 . 1 . . . A 18 LEU CD1 . 19764 1 235 . 1 1 18 18 LEU CD2 C 13 23.051 0.10 . 1 . . . A 18 LEU CD2 . 19764 1 236 . 1 1 18 18 LEU N N 15 117.308 0.10 . 1 . . . A 18 LEU N . 19764 1 237 . 1 1 19 19 ILE H H 1 8.108 0.01 . 1 . . . A 19 ILE H . 19764 1 238 . 1 1 19 19 ILE HA H 1 3.626 0.01 . 1 . . . A 19 ILE HA . 19764 1 239 . 1 1 19 19 ILE HB H 1 2.000 0.01 . 1 . . . A 19 ILE HB . 19764 1 240 . 1 1 19 19 ILE HG12 H 1 1.851 0.01 . 2 . . . A 19 ILE HG12 . 19764 1 241 . 1 1 19 19 ILE HG13 H 1 1.011 0.01 . 2 . . . A 19 ILE HG13 . 19764 1 242 . 1 1 19 19 ILE HG21 H 1 0.877 0.01 . 1 . . . A 19 ILE HG21 . 19764 1 243 . 1 1 19 19 ILE HG22 H 1 0.877 0.01 . 1 . . . A 19 ILE HG22 . 19764 1 244 . 1 1 19 19 ILE HG23 H 1 0.877 0.01 . 1 . . . A 19 ILE HG23 . 19764 1 245 . 1 1 19 19 ILE HD11 H 1 0.743 0.01 . 1 . . . A 19 ILE HD11 . 19764 1 246 . 1 1 19 19 ILE HD12 H 1 0.743 0.01 . 1 . . . A 19 ILE HD12 . 19764 1 247 . 1 1 19 19 ILE HD13 H 1 0.743 0.01 . 1 . . . A 19 ILE HD13 . 19764 1 248 . 1 1 19 19 ILE C C 13 177.131 0.10 . 1 . . . A 19 ILE C . 19764 1 249 . 1 1 19 19 ILE CA C 13 65.504 0.10 . 1 . . . A 19 ILE CA . 19764 1 250 . 1 1 19 19 ILE CB C 13 37.242 0.10 . 1 . . . A 19 ILE CB . 19764 1 251 . 1 1 19 19 ILE CG1 C 13 29.375 0.10 . 1 . . . A 19 ILE CG1 . 19764 1 252 . 1 1 19 19 ILE CG2 C 13 17.126 0.10 . 1 . . . A 19 ILE CG2 . 19764 1 253 . 1 1 19 19 ILE CD1 C 13 12.725 0.10 . 1 . . . A 19 ILE CD1 . 19764 1 254 . 1 1 19 19 ILE N N 15 118.636 0.10 . 1 . . . A 19 ILE N . 19764 1 255 . 1 1 20 20 PHE H H 1 8.448 0.01 . 1 . . . A 20 PHE H . 19764 1 256 . 1 1 20 20 PHE HA H 1 4.204 0.01 . 1 . . . A 20 PHE HA . 19764 1 257 . 1 1 20 20 PHE HB2 H 1 3.265 0.01 . 1 . . . A 20 PHE HB2 . 19764 1 258 . 1 1 20 20 PHE HB3 H 1 3.265 0.01 . 1 . . . A 20 PHE HB3 . 19764 1 259 . 1 1 20 20 PHE HD2 H 1 7.074 0.01 . 1 . . . A 20 PHE HD2 . 19764 1 260 . 1 1 20 20 PHE HE1 H 1 7.010 0.01 . 1 . . . A 20 PHE HE1 . 19764 1 261 . 1 1 20 20 PHE HE2 H 1 7.010 0.01 . 1 . . . A 20 PHE HE2 . 19764 1 262 . 1 1 20 20 PHE HZ H 1 6.950 0.01 . 1 . . . A 20 PHE HZ . 19764 1 263 . 1 1 20 20 PHE C C 13 176.771 0.10 . 1 . . . A 20 PHE C . 19764 1 264 . 1 1 20 20 PHE CA C 13 61.540 0.10 . 1 . . . A 20 PHE CA . 19764 1 265 . 1 1 20 20 PHE CB C 13 38.503 0.10 . 1 . . . A 20 PHE CB . 19764 1 266 . 1 1 20 20 PHE CD2 C 13 130.054 0.10 . 1 . . . A 20 PHE CD2 . 19764 1 267 . 1 1 20 20 PHE CE2 C 13 128.266 0.10 . 1 . . . A 20 PHE CE2 . 19764 1 268 . 1 1 20 20 PHE CZ C 13 129.851 0.10 . 1 . . . A 20 PHE CZ . 19764 1 269 . 1 1 20 20 PHE N N 15 119.349 0.10 . 1 . . . A 20 PHE N . 19764 1 270 . 1 1 21 21 ILE H H 1 8.485 0.01 . 1 . . . A 21 ILE H . 19764 1 271 . 1 1 21 21 ILE HA H 1 3.428 0.01 . 1 . . . A 21 ILE HA . 19764 1 272 . 1 1 21 21 ILE HB H 1 2.051 0.01 . 1 . . . A 21 ILE HB . 19764 1 273 . 1 1 21 21 ILE HG12 H 1 2.003 0.01 . 2 . . . A 21 ILE HG12 . 19764 1 274 . 1 1 21 21 ILE HG13 H 1 1.052 0.01 . 2 . . . A 21 ILE HG13 . 19764 1 275 . 1 1 21 21 ILE HG21 H 1 0.836 0.01 . 1 . . . A 21 ILE HG21 . 19764 1 276 . 1 1 21 21 ILE HG22 H 1 0.836 0.01 . 1 . . . A 21 ILE HG22 . 19764 1 277 . 1 1 21 21 ILE HG23 H 1 0.836 0.01 . 1 . . . A 21 ILE HG23 . 19764 1 278 . 1 1 21 21 ILE HD11 H 1 0.796 0.01 . 1 . . . A 21 ILE HD11 . 19764 1 279 . 1 1 21 21 ILE HD12 H 1 0.796 0.01 . 1 . . . A 21 ILE HD12 . 19764 1 280 . 1 1 21 21 ILE HD13 H 1 0.796 0.01 . 1 . . . A 21 ILE HD13 . 19764 1 281 . 1 1 21 21 ILE C C 13 176.989 0.10 . 1 . . . A 21 ILE C . 19764 1 282 . 1 1 21 21 ILE CA C 13 65.547 0.10 . 1 . . . A 21 ILE CA . 19764 1 283 . 1 1 21 21 ILE CB C 13 37.354 0.10 . 1 . . . A 21 ILE CB . 19764 1 284 . 1 1 21 21 ILE CG1 C 13 29.331 0.10 . 1 . . . A 21 ILE CG1 . 19764 1 285 . 1 1 21 21 ILE CG2 C 13 16.906 0.10 . 1 . . . A 21 ILE CG2 . 19764 1 286 . 1 1 21 21 ILE CD1 C 13 12.891 0.10 . 1 . . . A 21 ILE CD1 . 19764 1 287 . 1 1 21 21 ILE N N 15 118.342 0.10 . 1 . . . A 21 ILE N . 19764 1 288 . 1 1 22 22 PHE H H 1 8.576 0.01 . 1 . . . A 22 PHE H . 19764 1 289 . 1 1 22 22 PHE HA H 1 4.207 0.01 . 1 . . . A 22 PHE HA . 19764 1 290 . 1 1 22 22 PHE HB2 H 1 3.274 0.01 . 1 . . . A 22 PHE HB2 . 19764 1 291 . 1 1 22 22 PHE HB3 H 1 3.274 0.01 . 1 . . . A 22 PHE HB3 . 19764 1 292 . 1 1 22 22 PHE HD1 H 1 7.098 0.01 . 1 . . . A 22 PHE HD1 . 19764 1 293 . 1 1 22 22 PHE HD2 H 1 7.098 0.01 . 1 . . . A 22 PHE HD2 . 19764 1 294 . 1 1 22 22 PHE HE1 H 1 7.019 0.01 . 1 . . . A 22 PHE HE1 . 19764 1 295 . 1 1 22 22 PHE HE2 H 1 7.019 0.01 . 1 . . . A 22 PHE HE2 . 19764 1 296 . 1 1 22 22 PHE HZ H 1 6.957 0.01 . 1 . . . A 22 PHE HZ . 19764 1 297 . 1 1 22 22 PHE C C 13 176.880 0.10 . 1 . . . A 22 PHE C . 19764 1 298 . 1 1 22 22 PHE CA C 13 61.174 0.10 . 1 . . . A 22 PHE CA . 19764 1 299 . 1 1 22 22 PHE CB C 13 38.432 0.10 . 1 . . . A 22 PHE CB . 19764 1 300 . 1 1 22 22 PHE CD2 C 13 130.899 0.10 . 1 . . . A 22 PHE CD2 . 19764 1 301 . 1 1 22 22 PHE CE2 C 13 130.097 0.10 . 1 . . . A 22 PHE CE2 . 19764 1 302 . 1 1 22 22 PHE CZ C 13 128.225 0.10 . 1 . . . A 22 PHE CZ . 19764 1 303 . 1 1 22 22 PHE N N 15 119.166 0.10 . 1 . . . A 22 PHE N . 19764 1 304 . 1 1 23 23 ILE H H 1 8.508 0.01 . 1 . . . A 23 ILE H . 19764 1 305 . 1 1 23 23 ILE HA H 1 3.552 0.01 . 1 . . . A 23 ILE HA . 19764 1 306 . 1 1 23 23 ILE HB H 1 2.091 0.01 . 1 . . . A 23 ILE HB . 19764 1 307 . 1 1 23 23 ILE HG12 H 1 1.974 0.01 . 2 . . . A 23 ILE HG12 . 19764 1 308 . 1 1 23 23 ILE HG13 H 1 1.131 0.01 . 2 . . . A 23 ILE HG13 . 19764 1 309 . 1 1 23 23 ILE HG21 H 1 0.877 0.01 . 1 . . . A 23 ILE HG21 . 19764 1 310 . 1 1 23 23 ILE HG22 H 1 0.877 0.01 . 1 . . . A 23 ILE HG22 . 19764 1 311 . 1 1 23 23 ILE HG23 H 1 0.877 0.01 . 1 . . . A 23 ILE HG23 . 19764 1 312 . 1 1 23 23 ILE HD11 H 1 0.821 0.01 . 1 . . . A 23 ILE HD11 . 19764 1 313 . 1 1 23 23 ILE HD12 H 1 0.821 0.01 . 1 . . . A 23 ILE HD12 . 19764 1 314 . 1 1 23 23 ILE HD13 H 1 0.821 0.01 . 1 . . . A 23 ILE HD13 . 19764 1 315 . 1 1 23 23 ILE C C 13 177.284 0.10 . 1 . . . A 23 ILE C . 19764 1 316 . 1 1 23 23 ILE CA C 13 65.453 0.10 . 1 . . . A 23 ILE CA . 19764 1 317 . 1 1 23 23 ILE CB C 13 37.112 0.10 . 1 . . . A 23 ILE CB . 19764 1 318 . 1 1 23 23 ILE CG1 C 13 29.252 0.10 . 1 . . . A 23 ILE CG1 . 19764 1 319 . 1 1 23 23 ILE CG2 C 13 17.346 0.10 . 1 . . . A 23 ILE CG2 . 19764 1 320 . 1 1 23 23 ILE CD1 C 13 13.039 0.10 . 1 . . . A 23 ILE CD1 . 19764 1 321 . 1 1 23 23 ILE N N 15 118.582 0.10 . 1 . . . A 23 ILE N . 19764 1 322 . 1 1 24 24 VAL H H 1 8.212 0.01 . 1 . . . A 24 VAL H . 19764 1 323 . 1 1 24 24 VAL HA H 1 3.446 0.01 . 1 . . . A 24 VAL HA . 19764 1 324 . 1 1 24 24 VAL HB H 1 2.124 0.01 . 1 . . . A 24 VAL HB . 19764 1 325 . 1 1 24 24 VAL HG11 H 1 0.798 0.01 . 2 . . . A 24 VAL HG11 . 19764 1 326 . 1 1 24 24 VAL HG12 H 1 0.798 0.01 . 2 . . . A 24 VAL HG12 . 19764 1 327 . 1 1 24 24 VAL HG13 H 1 0.798 0.01 . 2 . . . A 24 VAL HG13 . 19764 1 328 . 1 1 24 24 VAL HG21 H 1 0.746 0.01 . 2 . . . A 24 VAL HG21 . 19764 1 329 . 1 1 24 24 VAL HG22 H 1 0.746 0.01 . 2 . . . A 24 VAL HG22 . 19764 1 330 . 1 1 24 24 VAL HG23 H 1 0.746 0.01 . 2 . . . A 24 VAL HG23 . 19764 1 331 . 1 1 24 24 VAL C C 13 178.060 0.10 . 1 . . . A 24 VAL C . 19764 1 332 . 1 1 24 24 VAL CA C 13 67.298 0.10 . 1 . . . A 24 VAL CA . 19764 1 333 . 1 1 24 24 VAL CB C 13 30.785 0.10 . 1 . . . A 24 VAL CB . 19764 1 334 . 1 1 24 24 VAL CG1 C 13 21.547 0.10 . 1 . . . A 24 VAL CG1 . 19764 1 335 . 1 1 24 24 VAL CG2 C 13 22.865 0.10 . 1 . . . A 24 VAL CG2 . 19764 1 336 . 1 1 24 24 VAL N N 15 119.194 0.10 . 1 . . . A 24 VAL N . 19764 1 337 . 1 1 25 25 LEU H H 1 8.442 0.01 . 1 . . . A 25 LEU H . 19764 1 338 . 1 1 25 25 LEU HA H 1 3.956 0.01 . 1 . . . A 25 LEU HA . 19764 1 339 . 1 1 25 25 LEU HB2 H 1 2.121 0.01 . 2 . . . A 25 LEU HB2 . 19764 1 340 . 1 1 25 25 LEU HB3 H 1 1.438 0.01 . 2 . . . A 25 LEU HB3 . 19764 1 341 . 1 1 25 25 LEU HG H 1 1.998 0.01 . 1 . . . A 25 LEU HG . 19764 1 342 . 1 1 25 25 LEU HD11 H 1 0.863 0.01 . 2 . . . A 25 LEU HD11 . 19764 1 343 . 1 1 25 25 LEU HD12 H 1 0.863 0.01 . 2 . . . A 25 LEU HD12 . 19764 1 344 . 1 1 25 25 LEU HD13 H 1 0.863 0.01 . 2 . . . A 25 LEU HD13 . 19764 1 345 . 1 1 25 25 LEU HD21 H 1 0.889 0.01 . 2 . . . A 25 LEU HD21 . 19764 1 346 . 1 1 25 25 LEU HD22 H 1 0.889 0.01 . 2 . . . A 25 LEU HD22 . 19764 1 347 . 1 1 25 25 LEU HD23 H 1 0.889 0.01 . 2 . . . A 25 LEU HD23 . 19764 1 348 . 1 1 25 25 LEU C C 13 178.574 0.10 . 1 . . . A 25 LEU C . 19764 1 349 . 1 1 25 25 LEU CA C 13 58.254 0.10 . 1 . . . A 25 LEU CA . 19764 1 350 . 1 1 25 25 LEU CB C 13 41.536 0.10 . 1 . . . A 25 LEU CB . 19764 1 351 . 1 1 25 25 LEU CG C 13 26.524 0.10 . 1 . . . A 25 LEU CG . 19764 1 352 . 1 1 25 25 LEU CD1 C 13 23.021 0.10 . 1 . . . A 25 LEU CD1 . 19764 1 353 . 1 1 25 25 LEU CD2 C 13 25.971 0.10 . 1 . . . A 25 LEU CD2 . 19764 1 354 . 1 1 25 25 LEU N N 15 119.253 0.10 . 1 . . . A 25 LEU N . 19764 1 355 . 1 1 26 26 LEU H H 1 8.639 0.01 . 1 . . . A 26 LEU H . 19764 1 356 . 1 1 26 26 LEU HA H 1 3.915 0.01 . 1 . . . A 26 LEU HA . 19764 1 357 . 1 1 26 26 LEU HB2 H 1 1.627 0.01 . 1 . . . A 26 LEU HB2 . 19764 1 358 . 1 1 26 26 LEU HB3 H 1 1.627 0.01 . 1 . . . A 26 LEU HB3 . 19764 1 359 . 1 1 26 26 LEU HG H 1 1.523 0.01 . 1 . . . A 26 LEU HG . 19764 1 360 . 1 1 26 26 LEU HD11 H 1 0.744 0.01 . 2 . . . A 26 LEU HD11 . 19764 1 361 . 1 1 26 26 LEU HD12 H 1 0.744 0.01 . 2 . . . A 26 LEU HD12 . 19764 1 362 . 1 1 26 26 LEU HD13 H 1 0.744 0.01 . 2 . . . A 26 LEU HD13 . 19764 1 363 . 1 1 26 26 LEU HD21 H 1 0.790 0.01 . 2 . . . A 26 LEU HD21 . 19764 1 364 . 1 1 26 26 LEU HD22 H 1 0.790 0.01 . 2 . . . A 26 LEU HD22 . 19764 1 365 . 1 1 26 26 LEU HD23 H 1 0.790 0.01 . 2 . . . A 26 LEU HD23 . 19764 1 366 . 1 1 26 26 LEU C C 13 178.770 0.10 . 1 . . . A 26 LEU C . 19764 1 367 . 1 1 26 26 LEU CA C 13 58.658 0.10 . 1 . . . A 26 LEU CA . 19764 1 368 . 1 1 26 26 LEU CB C 13 41.590 0.10 . 1 . . . A 26 LEU CB . 19764 1 369 . 1 1 26 26 LEU CG C 13 26.612 0.10 . 1 . . . A 26 LEU CG . 19764 1 370 . 1 1 26 26 LEU CD1 C 13 24.448 0.10 . 1 . . . A 26 LEU CD1 . 19764 1 371 . 1 1 26 26 LEU CD2 C 13 24.630 0.10 . 1 . . . A 26 LEU CD2 . 19764 1 372 . 1 1 26 26 LEU N N 15 121.151 0.10 . 1 . . . A 26 LEU N . 19764 1 373 . 1 1 27 27 ILE H H 1 8.475 0.01 . 1 . . . A 27 ILE H . 19764 1 374 . 1 1 27 27 ILE HA H 1 3.551 0.01 . 1 . . . A 27 ILE HA . 19764 1 375 . 1 1 27 27 ILE HB H 1 1.940 0.01 . 1 . . . A 27 ILE HB . 19764 1 376 . 1 1 27 27 ILE HG12 H 1 1.901 0.01 . 2 . . . A 27 ILE HG12 . 19764 1 377 . 1 1 27 27 ILE HG13 H 1 1.109 0.01 . 2 . . . A 27 ILE HG13 . 19764 1 378 . 1 1 27 27 ILE HG21 H 1 0.840 0.01 . 1 . . . A 27 ILE HG21 . 19764 1 379 . 1 1 27 27 ILE HG22 H 1 0.840 0.01 . 1 . . . A 27 ILE HG22 . 19764 1 380 . 1 1 27 27 ILE HG23 H 1 0.840 0.01 . 1 . . . A 27 ILE HG23 . 19764 1 381 . 1 1 27 27 ILE HD11 H 1 0.790 0.01 . 1 . . . A 27 ILE HD11 . 19764 1 382 . 1 1 27 27 ILE HD12 H 1 0.790 0.01 . 1 . . . A 27 ILE HD12 . 19764 1 383 . 1 1 27 27 ILE HD13 H 1 0.790 0.01 . 1 . . . A 27 ILE HD13 . 19764 1 384 . 1 1 27 27 ILE C C 13 178.333 0.10 . 1 . . . A 27 ILE C . 19764 1 385 . 1 1 27 27 ILE CA C 13 65.199 0.10 . 1 . . . A 27 ILE CA . 19764 1 386 . 1 1 27 27 ILE CB C 13 37.564 0.10 . 1 . . . A 27 ILE CB . 19764 1 387 . 1 1 27 27 ILE CG1 C 13 29.020 0.10 . 1 . . . A 27 ILE CG1 . 19764 1 388 . 1 1 27 27 ILE CG2 C 13 17.335 0.10 . 1 . . . A 27 ILE CG2 . 19764 1 389 . 1 1 27 27 ILE CD1 C 13 13.721 0.10 . 1 . . . A 27 ILE CD1 . 19764 1 390 . 1 1 27 27 ILE N N 15 118.583 0.10 . 1 . . . A 27 ILE N . 19764 1 391 . 1 1 28 28 HIS H H 1 8.415 0.01 . 1 . . . A 28 HIS H . 19764 1 392 . 1 1 28 28 HIS HA H 1 4.353 0.01 . 1 . . . A 28 HIS HA . 19764 1 393 . 1 1 28 28 HIS HB2 H 1 3.171 0.01 . 2 . . . A 28 HIS HB2 . 19764 1 394 . 1 1 28 28 HIS HB3 H 1 3.035 0.01 . 2 . . . A 28 HIS HB3 . 19764 1 395 . 1 1 28 28 HIS HD2 H 1 7.271 0.01 . 1 . . . A 28 HIS HD2 . 19764 1 396 . 1 1 28 28 HIS C C 13 176.498 0.10 . 1 . . . A 28 HIS C . 19764 1 397 . 1 1 28 28 HIS CA C 13 59.110 0.10 . 1 . . . A 28 HIS CA . 19764 1 398 . 1 1 28 28 HIS CB C 13 28.024 0.10 . 1 . . . A 28 HIS CB . 19764 1 399 . 1 1 28 28 HIS CD2 C 13 120.035 0.10 . 1 . . . A 28 HIS CD2 . 19764 1 400 . 1 1 28 28 HIS N N 15 117.341 0.10 . 1 . . . A 28 HIS N . 19764 1 401 . 1 1 29 29 PHE H H 1 8.727 0.01 . 1 . . . A 29 PHE H . 19764 1 402 . 1 1 29 29 PHE HA H 1 4.337 0.01 . 1 . . . A 29 PHE HA . 19764 1 403 . 1 1 29 29 PHE HB2 H 1 3.209 0.01 . 2 . . . A 29 PHE HB2 . 19764 1 404 . 1 1 29 29 PHE HB3 H 1 3.012 0.01 . 2 . . . A 29 PHE HB3 . 19764 1 405 . 1 1 29 29 PHE HD1 H 1 7.443 0.01 . 1 . . . A 29 PHE HD1 . 19764 1 406 . 1 1 29 29 PHE HD2 H 1 7.443 0.01 . 1 . . . A 29 PHE HD2 . 19764 1 407 . 1 1 29 29 PHE HE1 H 1 7.397 0.01 . 1 . . . A 29 PHE HE1 . 19764 1 408 . 1 1 29 29 PHE HE2 H 1 7.397 0.01 . 1 . . . A 29 PHE HE2 . 19764 1 409 . 1 1 29 29 PHE HZ H 1 7.314 0.01 . 1 . . . A 29 PHE HZ . 19764 1 410 . 1 1 29 29 PHE C C 13 176.924 0.10 . 1 . . . A 29 PHE C . 19764 1 411 . 1 1 29 29 PHE CA C 13 60.735 0.10 . 1 . . . A 29 PHE CA . 19764 1 412 . 1 1 29 29 PHE CB C 13 39.449 0.10 . 1 . . . A 29 PHE CB . 19764 1 413 . 1 1 29 29 PHE CD2 C 13 131.997 0.10 . 1 . . . A 29 PHE CD2 . 19764 1 414 . 1 1 29 29 PHE CE2 C 13 130.928 0.10 . 1 . . . A 29 PHE CE2 . 19764 1 415 . 1 1 29 29 PHE CZ C 13 129.317 0.10 . 1 . . . A 29 PHE CZ . 19764 1 416 . 1 1 29 29 PHE N N 15 115.694 0.10 . 1 . . . A 29 PHE N . 19764 1 417 . 1 1 30 30 GLU H H 1 8.319 0.01 . 1 . . . A 30 GLU H . 19764 1 418 . 1 1 30 30 GLU HA H 1 4.336 0.01 . 1 . . . A 30 GLU HA . 19764 1 419 . 1 1 30 30 GLU HB2 H 1 1.756 0.01 . 2 . . . A 30 GLU HB2 . 19764 1 420 . 1 1 30 30 GLU HB3 H 1 1.528 0.01 . 2 . . . A 30 GLU HB3 . 19764 1 421 . 1 1 30 30 GLU HG2 H 1 2.278 0.01 . 2 . . . A 30 GLU HG2 . 19764 1 422 . 1 1 30 30 GLU HG3 H 1 1.923 0.01 . 2 . . . A 30 GLU HG3 . 19764 1 423 . 1 1 30 30 GLU C C 13 176.563 0.10 . 1 . . . A 30 GLU C . 19764 1 424 . 1 1 30 30 GLU CA C 13 55.482 0.10 . 1 . . . A 30 GLU CA . 19764 1 425 . 1 1 30 30 GLU CB C 13 28.002 0.10 . 1 . . . A 30 GLU CB . 19764 1 426 . 1 1 30 30 GLU CG C 13 32.105 0.10 . 1 . . . A 30 GLU CG . 19764 1 427 . 1 1 30 30 GLU N N 15 115.099 0.10 . 1 . . . A 30 GLU N . 19764 1 428 . 1 1 31 31 GLY H H 1 7.850 0.01 . 1 . . . A 31 GLY H . 19764 1 429 . 1 1 31 31 GLY HA2 H 1 3.984 0.01 . 2 . . . A 31 GLY HA2 . 19764 1 430 . 1 1 31 31 GLY HA3 H 1 3.726 0.01 . 2 . . . A 31 GLY HA3 . 19764 1 431 . 1 1 31 31 GLY C C 13 173.766 0.10 . 1 . . . A 31 GLY C . 19764 1 432 . 1 1 31 31 GLY CA C 13 45.982 0.10 . 1 . . . A 31 GLY CA . 19764 1 433 . 1 1 31 31 GLY N N 15 107.479 0.10 . 1 . . . A 31 GLY N . 19764 1 434 . 1 1 32 32 TRP H H 1 7.530 0.01 . 1 . . . A 32 TRP H . 19764 1 435 . 1 1 32 32 TRP HA H 1 4.645 0.01 . 1 . . . A 32 TRP HA . 19764 1 436 . 1 1 32 32 TRP HB2 H 1 3.171 0.01 . 1 . . . A 32 TRP HB2 . 19764 1 437 . 1 1 32 32 TRP HB3 H 1 3.171 0.01 . 1 . . . A 32 TRP HB3 . 19764 1 438 . 1 1 32 32 TRP HD1 H 1 7.231 0.01 . 1 . . . A 32 TRP HD1 . 19764 1 439 . 1 1 32 32 TRP HE3 H 1 7.424 0.01 . 1 . . . A 32 TRP HE3 . 19764 1 440 . 1 1 32 32 TRP HZ2 H 1 7.446 0.01 . 1 . . . A 32 TRP HZ2 . 19764 1 441 . 1 1 32 32 TRP HZ3 H 1 6.961 0.01 . 1 . . . A 32 TRP HZ3 . 19764 1 442 . 1 1 32 32 TRP HH2 H 1 7.073 0.01 . 1 . . . A 32 TRP HH2 . 19764 1 443 . 1 1 32 32 TRP C C 13 175.350 0.10 . 1 . . . A 32 TRP C . 19764 1 444 . 1 1 32 32 TRP CA C 13 56.455 0.10 . 1 . . . A 32 TRP CA . 19764 1 445 . 1 1 32 32 TRP CB C 13 29.033 0.10 . 1 . . . A 32 TRP CB . 19764 1 446 . 1 1 32 32 TRP CD1 C 13 126.097 0.10 . 1 . . . A 32 TRP CD1 . 19764 1 447 . 1 1 32 32 TRP CE3 C 13 120.135 0.10 . 1 . . . A 32 TRP CE3 . 19764 1 448 . 1 1 32 32 TRP CZ2 C 13 114.308 0.10 . 1 . . . A 32 TRP CZ2 . 19764 1 449 . 1 1 32 32 TRP CZ3 C 13 121.209 0.10 . 1 . . . A 32 TRP CZ3 . 19764 1 450 . 1 1 32 32 TRP CH2 C 13 123.801 0.10 . 1 . . . A 32 TRP CH2 . 19764 1 451 . 1 1 32 32 TRP N N 15 118.981 0.10 . 1 . . . A 32 TRP N . 19764 1 452 . 1 1 33 33 ARG H H 1 7.926 0.01 . 1 . . . A 33 ARG H . 19764 1 453 . 1 1 33 33 ARG HA H 1 4.273 0.01 . 1 . . . A 33 ARG HA . 19764 1 454 . 1 1 33 33 ARG HB2 H 1 1.753 0.01 . 2 . . . A 33 ARG HB2 . 19764 1 455 . 1 1 33 33 ARG HB3 H 1 1.613 0.01 . 2 . . . A 33 ARG HB3 . 19764 1 456 . 1 1 33 33 ARG HG2 H 1 1.333 0.01 . 1 . . . A 33 ARG HG2 . 19764 1 457 . 1 1 33 33 ARG HG3 H 1 1.333 0.01 . 1 . . . A 33 ARG HG3 . 19764 1 458 . 1 1 33 33 ARG HD2 H 1 3.078 0.01 . 1 . . . A 33 ARG HD2 . 19764 1 459 . 1 1 33 33 ARG HD3 H 1 3.078 0.01 . 1 . . . A 33 ARG HD3 . 19764 1 460 . 1 1 33 33 ARG HE H 1 7.238 0.01 . 1 . . . A 33 ARG HE . 19764 1 461 . 1 1 33 33 ARG HH21 H 1 6.768 0.01 . 1 . . . A 33 ARG HH21 . 19764 1 462 . 1 1 33 33 ARG HH22 H 1 6.768 0.01 . 1 . . . A 33 ARG HH22 . 19764 1 463 . 1 1 33 33 ARG C C 13 174.990 0.10 . 1 . . . A 33 ARG C . 19764 1 464 . 1 1 33 33 ARG CA C 13 55.581 0.10 . 1 . . . A 33 ARG CA . 19764 1 465 . 1 1 33 33 ARG CB C 13 30.661 0.10 . 1 . . . A 33 ARG CB . 19764 1 466 . 1 1 33 33 ARG CG C 13 26.673 0.10 . 1 . . . A 33 ARG CG . 19764 1 467 . 1 1 33 33 ARG CD C 13 43.206 0.10 . 1 . . . A 33 ARG CD . 19764 1 468 . 1 1 33 33 ARG N N 15 121.186 0.10 . 1 . . . A 33 ARG N . 19764 1 469 . 1 1 33 33 ARG NE N 15 85.420 0.10 . 1 . . . A 33 ARG NE . 19764 1 470 . 1 1 34 34 ILE H H 1 7.591 0.01 . 1 . . . A 34 ILE H . 19764 1 471 . 1 1 34 34 ILE HA H 1 4.126 0.01 . 1 . . . A 34 ILE HA . 19764 1 472 . 1 1 34 34 ILE HB H 1 1.854 0.01 . 1 . . . A 34 ILE HB . 19764 1 473 . 1 1 34 34 ILE HG12 H 1 1.465 0.01 . 2 . . . A 34 ILE HG12 . 19764 1 474 . 1 1 34 34 ILE HG13 H 1 1.160 0.01 . 2 . . . A 34 ILE HG13 . 19764 1 475 . 1 1 34 34 ILE HG21 H 1 0.889 0.01 . 1 . . . A 34 ILE HG21 . 19764 1 476 . 1 1 34 34 ILE HG22 H 1 0.889 0.01 . 1 . . . A 34 ILE HG22 . 19764 1 477 . 1 1 34 34 ILE HG23 H 1 0.889 0.01 . 1 . . . A 34 ILE HG23 . 19764 1 478 . 1 1 34 34 ILE HD11 H 1 0.864 0.01 . 1 . . . A 34 ILE HD11 . 19764 1 479 . 1 1 34 34 ILE HD12 H 1 0.864 0.01 . 1 . . . A 34 ILE HD12 . 19764 1 480 . 1 1 34 34 ILE HD13 H 1 0.864 0.01 . 1 . . . A 34 ILE HD13 . 19764 1 481 . 1 1 34 34 ILE CA C 13 60.517 0.10 . 1 . . . A 34 ILE CA . 19764 1 482 . 1 1 34 34 ILE CB C 13 38.783 0.10 . 1 . . . A 34 ILE CB . 19764 1 483 . 1 1 34 34 ILE CG1 C 13 27.449 0.10 . 1 . . . A 34 ILE CG1 . 19764 1 484 . 1 1 34 34 ILE CG2 C 13 17.869 0.10 . 1 . . . A 34 ILE CG2 . 19764 1 485 . 1 1 34 34 ILE CD1 C 13 13.517 0.10 . 1 . . . A 34 ILE CD1 . 19764 1 486 . 1 1 34 34 ILE N N 15 119.621 0.10 . 1 . . . A 34 ILE N . 19764 1 stop_ save_