data_17424 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17424 _Entry.Title ; Solution NMR Structure of Transmembrane and Cytosolic Regions of Integrin 1 in Detergent Micelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-01-24 _Entry.Accession_date 2011-01-24 _Entry.Last_release_date . _Entry.Original_release_date . _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 SOLUTION _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 Chaohua Lai . . . 17424 2 Xiaoxi Liu . . . 17424 3 Changlin Tian . . . 17424 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' . 17424 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Detergent micelle' . 17424 'Integrin Alpha1' . 17424 'NMR Structure' . 17424 'Transmembrane Region' . 17424 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17424 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 176 17424 '15N chemical shifts' 38 17424 '1H chemical shifts' 202 17424 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2014-05-14 2011-01-24 update BMRB 'update entry citation' 17424 1 . . 2012-08-14 2011-01-24 original author 'original release' 17424 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L8S 'BMRB Entry Tracking System' 17424 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17424 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23646163 _Citation.Full_citation . _Citation.Title 'Integrin 1 has a long helix, extending from the transmembrane region to the cytoplasmic tail in detergent micelles.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 8 _Citation.Journal_issue 4 _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 e62954 _Citation.Page_last e62954 _Citation.Year 2013 _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 Chaohua Lai . . . 17424 1 2 Xiaoxi Liu . . . 17424 1 3 Changlin Tian . . . 17424 1 4 Fangming Wu . . . 17424 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17424 _Assembly.ID 1 _Assembly.Name 'Integrin 1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 Integrin_Alpha1 1 $Integrin_Alpha1 A . yes native no no . . . 17424 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Integrin_Alpha1 _Entity.Sf_category entity _Entity.Sf_framecode Integrin_Alpha1 _Entity.Entry_ID 17424 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Integrin_Alpha1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGLPGRVPLWVILLSAFAGL LLLMLLILALWKIGFFKRPL KKKMEKLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 54 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5272.820 _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 no PDB 2L8S . "Solution Nmr Structure Of Transmembrane And Cytosolic Regions Of Integrin Alpha1 In Detergent Micelles" . . . . . 100.00 54 100.00 100.00 1.52e-26 . . . . 17424 1 2 no DBJ BAC35370 . "unnamed protein product [Mus musculus]" . . . . . 83.33 123 100.00 100.00 3.00e-13 . . . . 17424 1 3 no DBJ BAE20498 . "unnamed protein product [Mus musculus]" . . . . . 83.33 1179 100.00 100.00 4.71e-13 . . . . 17424 1 4 no DBJ BAG62150 . "unnamed protein product [Homo sapiens]" . . . . . 72.22 1173 100.00 100.00 6.10e-09 . . . . 17424 1 5 no EMBL CAA36384 . "unnamed protein product [Rattus norvegicus]" . . . . . 83.33 1180 100.00 100.00 4.71e-13 . . . . 17424 1 6 no GB AAI37122 . "Integrin, alpha 1 [Homo sapiens]" . . . . . 83.33 1179 100.00 100.00 4.80e-13 . . . . 17424 1 7 no GB AAI37123 . "Integrin, alpha 1 [Homo sapiens]" . . . . . 83.33 1179 100.00 100.00 4.80e-13 . . . . 17424 1 8 no GB AAI67237 . "Integrin alpha 1 [synthetic construct]" . . . . . 83.33 1179 100.00 100.00 4.71e-13 . . . . 17424 1 9 no GB EAW54865 . "hCG2002731, isoform CRA_b [Homo sapiens]" . . . . . 83.33 183 100.00 100.00 1.53e-14 . . . . 17424 1 10 no GB EAW54868 . "hCG2002731, isoform CRA_e [Homo sapiens]" . . . . . 83.33 1177 100.00 100.00 4.71e-13 . . . . 17424 1 11 no REF NP_001028400 . "integrin alpha-1 precursor [Mus musculus]" . . . . . 83.33 1179 100.00 100.00 4.71e-13 . . . . 17424 1 12 no REF NP_001296395 . "integrin, alpha 1 precursor [Equus caballus]" . . . . . 83.33 1179 100.00 100.00 4.80e-13 . . . . 17424 1 13 no REF NP_112256 . "integrin alpha-1 precursor [Rattus norvegicus]" . . . . . 83.33 1180 100.00 100.00 4.71e-13 . . . . 17424 1 14 no REF NP_852478 . "integrin alpha-1 precursor [Homo sapiens]" . . . . . 83.33 1179 100.00 100.00 4.80e-13 . . . . 17424 1 15 no REF XP_001094788 . "PREDICTED: integrin alpha-1 [Macaca mulatta]" . . . . . 83.33 1179 100.00 100.00 5.18e-13 . . . . 17424 1 16 no SP P18614 . "RecName: Full=Integrin alpha-1; AltName: Full=CD49 antigen-like family member A; AltName: Full=Laminin and collagen receptor; A" . . . . . 83.33 1180 100.00 100.00 4.71e-13 . . . . 17424 1 17 no SP P56199 . "RecName: Full=Integrin alpha-1; AltName: Full=CD49 antigen-like family member A; AltName: Full=Laminin and collagen receptor; A" . . . . . 83.33 1179 100.00 100.00 4.80e-13 . . . . 17424 1 18 no SP Q3V3R4 . "RecName: Full=Integrin alpha-1; AltName: Full=CD49 antigen-like family member A; AltName: Full=Laminin and collagen receptor; A" . . . . . 83.33 1179 100.00 100.00 4.71e-13 . . . . 17424 1 19 no TPG DAA17923 . "TPA: integrin, alpha 1 [Bos taurus]" . . . . . 83.33 1195 100.00 100.00 4.38e-13 . . . . 17424 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 . 17424 1 2 . GLY . 17424 1 3 . LEU . 17424 1 4 . PRO . 17424 1 5 . GLY . 17424 1 6 . ARG . 17424 1 7 . VAL . 17424 1 8 . PRO . 17424 1 9 . LEU . 17424 1 10 . TRP . 17424 1 11 . VAL . 17424 1 12 . ILE . 17424 1 13 . LEU . 17424 1 14 . LEU . 17424 1 15 . SER . 17424 1 16 . ALA . 17424 1 17 . PHE . 17424 1 18 . ALA . 17424 1 19 . GLY . 17424 1 20 . LEU . 17424 1 21 . LEU . 17424 1 22 . LEU . 17424 1 23 . LEU . 17424 1 24 . MET . 17424 1 25 . LEU . 17424 1 26 . LEU . 17424 1 27 . ILE . 17424 1 28 . LEU . 17424 1 29 . ALA . 17424 1 30 . LEU . 17424 1 31 . TRP . 17424 1 32 . LYS . 17424 1 33 . ILE . 17424 1 34 . GLY . 17424 1 35 . PHE . 17424 1 36 . PHE . 17424 1 37 . LYS . 17424 1 38 . ARG . 17424 1 39 . PRO . 17424 1 40 . LEU . 17424 1 41 . LYS . 17424 1 42 . LYS . 17424 1 43 . LYS . 17424 1 44 . MET . 17424 1 45 . GLU . 17424 1 46 . LYS . 17424 1 47 . LEU . 17424 1 48 . GLU . 17424 1 49 . HIS . 17424 1 50 . HIS . 17424 1 51 . HIS . 17424 1 52 . HIS . 17424 1 53 . HIS . 17424 1 54 . HIS . 17424 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 17424 1 . GLY 2 2 17424 1 . LEU 3 3 17424 1 . PRO 4 4 17424 1 . GLY 5 5 17424 1 . ARG 6 6 17424 1 . VAL 7 7 17424 1 . PRO 8 8 17424 1 . LEU 9 9 17424 1 . TRP 10 10 17424 1 . VAL 11 11 17424 1 . ILE 12 12 17424 1 . LEU 13 13 17424 1 . LEU 14 14 17424 1 . SER 15 15 17424 1 . ALA 16 16 17424 1 . PHE 17 17 17424 1 . ALA 18 18 17424 1 . GLY 19 19 17424 1 . LEU 20 20 17424 1 . LEU 21 21 17424 1 . LEU 22 22 17424 1 . LEU 23 23 17424 1 . MET 24 24 17424 1 . LEU 25 25 17424 1 . LEU 26 26 17424 1 . ILE 27 27 17424 1 . LEU 28 28 17424 1 . ALA 29 29 17424 1 . LEU 30 30 17424 1 . TRP 31 31 17424 1 . LYS 32 32 17424 1 . ILE 33 33 17424 1 . GLY 34 34 17424 1 . PHE 35 35 17424 1 . PHE 36 36 17424 1 . LYS 37 37 17424 1 . ARG 38 38 17424 1 . PRO 39 39 17424 1 . LEU 40 40 17424 1 . LYS 41 41 17424 1 . LYS 42 42 17424 1 . LYS 43 43 17424 1 . MET 44 44 17424 1 . GLU 45 45 17424 1 . LYS 46 46 17424 1 . LEU 47 47 17424 1 . GLU 48 48 17424 1 . HIS 49 49 17424 1 . HIS 50 50 17424 1 . HIS 51 51 17424 1 . HIS 52 52 17424 1 . HIS 53 53 17424 1 . HIS 54 54 17424 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 17424 _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 $Integrin_Alpha1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 17424 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 17424 _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 $Integrin_Alpha1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET21b . . . . . . 17424 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N-labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N-labeled _Sample.Entry_ID 17424 _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 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17424 1 2 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17424 1 3 'Integrin Alpha 1' [U-15N] . . 1 $Integrin_Alpha1 . . 1.0 . . mM . . . . 17424 1 4 H20 'natural abundance' . . . . . . 95 . . % . . . . 17424 1 5 D20 'natural abundance' . . . . . . 5 . . % . . . . 17424 1 stop_ save_ save_15N-13C-labeled _Sample.Sf_category sample _Sample.Sf_framecode 15N-13C-labeled _Sample.Entry_ID 17424 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% 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 'Integrin Alpha1' '[U-13C; U-15N]' . . 1 $Integrin_Alpha1 . . 1.0 . . mM . . . . 17424 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 17424 2 3 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 17424 2 4 H20 'natural abundance' . . . . . . 90 . . % . . . . 17424 2 5 D20 'natural abundance' . . . . . . 10 . . % . . . . 17424 2 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 17424 _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 pH 6.5 . pH 17424 1 pressure 1 . atm 17424 1 temperature 303 . K 17424 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 17424 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 17424 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17424 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17424 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17424 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17424 2 stop_ save_ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 17424 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17424 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17424 3 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 17424 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _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 17424 _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 DMX . 600 . . . 17424 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 17424 _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 $15N-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $15N-13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 3 '3D HNCO' no . . . . . . . . . . 2 $15N-13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 4 '3D HNCA' no . . . . . . . . . . 2 $15N-13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 5 '3D HNCACB' no . . . . . . . . . . 2 $15N-13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $15N-13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 7 '3D C(CO)NH' no . . . . . . . . . . 2 $15N-13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 2 $15N-13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 9 '3D H(CCO)NH' no . . . . . . . . . . 2 $15N-13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $15N-13C-labeled isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17424 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_HCN _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode HCN _Chem_shift_reference.Entry_ID 17424 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17424 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17424 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17424 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 17424 _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 $HCN _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 '2D 1H-15N HSQC' . . . 17424 1 3 '3D HNCO' . . . 17424 1 5 '3D HNCACB' . . . 17424 1 10 '3D 1H-15N NOESY' . . . 17424 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 2 2 GLY HA2 H 1 4.034 . . 2 . . . . 2 GLY HA2 . 17424 1 2 . 1 1 2 2 GLY HA3 H 1 3.846 . . 2 . . . . 2 GLY HA3 . 17424 1 3 . 1 1 2 2 GLY C C 13 173.100 . . 1 . . . . 2 GLY C . 17424 1 4 . 1 1 2 2 GLY CA C 13 45.065 . . 1 . . . . 2 GLY CA . 17424 1 5 . 1 1 3 3 LEU H H 1 8.296 . . 1 . . . . 3 LEU HN . 17424 1 6 . 1 1 3 3 LEU CA C 13 52.901 . . 1 . . . . 3 LEU CA . 17424 1 7 . 1 1 3 3 LEU CB C 13 41.063 . . 1 . . . . 3 LEU CB . 17424 1 8 . 1 1 3 3 LEU N N 15 121.721 . . 1 . . . . 3 LEU N . 17424 1 9 . 1 1 4 4 PRO HA H 1 4.454 . . 1 . . . . 4 PRO HA . 17424 1 10 . 1 1 4 4 PRO HB2 H 1 2.286 . . 2 . . . . 4 PRO HB2 . 17424 1 11 . 1 1 4 4 PRO HB3 H 1 1.922 . . 2 . . . . 4 PRO HB3 . 17424 1 12 . 1 1 4 4 PRO HD2 H 1 3.826 . . 2 . . . . 4 PRO HD2 . 17424 1 13 . 1 1 4 4 PRO HD3 H 1 3.541 . . 2 . . . . 4 PRO HD3 . 17424 1 14 . 1 1 4 4 PRO C C 13 176.641 . . 1 . . . . 4 PRO C . 17424 1 15 . 1 1 4 4 PRO CA C 13 63.295 . . 1 . . . . 4 PRO CA . 17424 1 16 . 1 1 4 4 PRO CB C 13 32.107 . . 1 . . . . 4 PRO CB . 17424 1 17 . 1 1 4 4 PRO CG C 13 27.708 . . 1 . . . . 4 PRO CG . 17424 1 18 . 1 1 4 4 PRO CD C 13 50.416 . . 1 . . . . 4 PRO CD . 17424 1 19 . 1 1 5 5 GLY H H 1 8.380 . . 1 . . . . 5 GLY HN . 17424 1 20 . 1 1 5 5 GLY HA2 H 1 3.925 . . 2 . . . . 5 GLY HA2 . 17424 1 21 . 1 1 5 5 GLY HA3 H 1 3.840 . . 2 . . . . 5 GLY HA3 . 17424 1 22 . 1 1 5 5 GLY C C 13 173.904 . . 1 . . . . 5 GLY C . 17424 1 23 . 1 1 5 5 GLY CA C 13 45.717 . . 1 . . . . 5 GLY CA . 17424 1 24 . 1 1 5 5 GLY N N 15 107.975 . . 1 . . . . 5 GLY N . 17424 1 25 . 1 1 6 6 ARG H H 1 8.072 . . 1 . . . . 6 ARG HN . 17424 1 26 . 1 1 6 6 ARG HA H 1 4.277 . . 1 . . . . 6 ARG HA . 17424 1 27 . 1 1 6 6 ARG HB2 H 1 1.768 . . 2 . . . . 6 ARG HB2 . 17424 1 28 . 1 1 6 6 ARG HG2 H 1 1.575 . . 2 . . . . 6 ARG HG2 . 17424 1 29 . 1 1 6 6 ARG HD2 H 1 3.172 . . 2 . . . . 6 ARG HD2 . 17424 1 30 . 1 1 6 6 ARG C C 13 175.764 . . 1 . . . . 6 ARG C . 17424 1 31 . 1 1 6 6 ARG CA C 13 55.902 . . 1 . . . . 6 ARG CA . 17424 1 32 . 1 1 6 6 ARG CB C 13 30.503 . . 1 . . . . 6 ARG CB . 17424 1 33 . 1 1 6 6 ARG CG C 13 27.160 . . 1 . . . . 6 ARG CG . 17424 1 34 . 1 1 6 6 ARG CD C 13 43.352 . . 1 . . . . 6 ARG CD . 17424 1 35 . 1 1 6 6 ARG N N 15 118.446 . . 1 . . . . 6 ARG N . 17424 1 36 . 1 1 7 7 VAL H H 1 8.087 . . 1 . . . . 7 VAL HN . 17424 1 37 . 1 1 7 7 VAL CA C 13 59.671 . . 1 . . . . 7 VAL CA . 17424 1 38 . 1 1 7 7 VAL CB C 13 33.055 . . 1 . . . . 7 VAL CB . 17424 1 39 . 1 1 7 7 VAL N N 15 122.003 . . 1 . . . . 7 VAL N . 17424 1 40 . 1 1 9 9 LEU H H 1 7.673 . . 1 . . . . 9 LEU HN . 17424 1 41 . 1 1 9 9 LEU HA H 1 4.010 . . 1 . . . . 9 LEU HA . 17424 1 42 . 1 1 9 9 LEU HB2 H 1 1.875 . . 2 . . . . 9 LEU HB2 . 17424 1 43 . 1 1 9 9 LEU HD11 H 1 0.979 . . 2 . . . . 9 LEU HD11 . 17424 1 44 . 1 1 9 9 LEU HD12 H 1 0.979 . . 2 . . . . 9 LEU HD11 . 17424 1 45 . 1 1 9 9 LEU HD13 H 1 0.979 . . 2 . . . . 9 LEU HD11 . 17424 1 46 . 1 1 9 9 LEU C C 13 179.487 . . 1 . . . . 9 LEU C . 17424 1 47 . 1 1 9 9 LEU CA C 13 58.598 . . 1 . . . . 9 LEU CA . 17424 1 48 . 1 1 9 9 LEU CB C 13 41.239 . . 1 . . . . 9 LEU CB . 17424 1 49 . 1 1 9 9 LEU CG C 13 27.469 . . 1 . . . . 9 LEU CG . 17424 1 50 . 1 1 9 9 LEU CD1 C 13 25.394 . . 1 . . . . 9 LEU CD1 . 17424 1 51 . 1 1 9 9 LEU CD2 C 13 23.920 . . 1 . . . . 9 LEU CD2 . 17424 1 52 . 1 1 10 10 TRP H H 1 8.754 . . 1 . . . . 10 TRP HN . 17424 1 53 . 1 1 10 10 TRP HA H 1 4.232 . . 1 . . . . 10 TRP HA . 17424 1 54 . 1 1 10 10 TRP HB2 H 1 3.445 . . 2 . . . . 10 TRP HB2 . 17424 1 55 . 1 1 10 10 TRP C C 13 176.979 . . 1 . . . . 10 TRP C . 17424 1 56 . 1 1 10 10 TRP CA C 13 60.441 . . 1 . . . . 10 TRP CA . 17424 1 57 . 1 1 10 10 TRP CB C 13 27.826 . . 1 . . . . 10 TRP CB . 17424 1 58 . 1 1 10 10 TRP N N 15 115.152 . . 1 . . . . 10 TRP N . 17424 1 59 . 1 1 11 11 VAL H H 1 6.436 . . 1 . . . . 11 VAL HN . 17424 1 60 . 1 1 11 11 VAL HA H 1 3.166 . . 1 . . . . 11 VAL HA . 17424 1 61 . 1 1 11 11 VAL HB H 1 1.670 . . 1 . . . . 11 VAL HB . 17424 1 62 . 1 1 11 11 VAL HG21 H 1 0.571 . . 2 . . . . 11 VAL HG21 . 17424 1 63 . 1 1 11 11 VAL HG22 H 1 0.571 . . 2 . . . . 11 VAL HG21 . 17424 1 64 . 1 1 11 11 VAL HG23 H 1 0.571 . . 2 . . . . 11 VAL HG21 . 17424 1 65 . 1 1 11 11 VAL C C 13 178.593 . . 1 . . . . 11 VAL C . 17424 1 66 . 1 1 11 11 VAL CA C 13 65.883 . . 1 . . . . 11 VAL CA . 17424 1 67 . 1 1 11 11 VAL CB C 13 30.940 . . 1 . . . . 11 VAL CB . 17424 1 68 . 1 1 11 11 VAL CG2 C 13 27.271 . . 1 . . . . 11 VAL CG2 . 17424 1 69 . 1 1 11 11 VAL N N 15 120.893 . . 1 . . . . 11 VAL N . 17424 1 70 . 1 1 12 12 ILE H H 1 7.310 . . 1 . . . . 12 ILE HN . 17424 1 71 . 1 1 12 12 ILE HA H 1 3.459 . . 1 . . . . 12 ILE HA . 17424 1 72 . 1 1 12 12 ILE HB H 1 2.122 . . 1 . . . . 12 ILE HB . 17424 1 73 . 1 1 12 12 ILE C C 13 177.335 . . 1 . . . . 12 ILE C . 17424 1 74 . 1 1 12 12 ILE CA C 13 65.099 . . 1 . . . . 12 ILE CA . 17424 1 75 . 1 1 12 12 ILE CB C 13 37.407 . . 1 . . . . 12 ILE CB . 17424 1 76 . 1 1 12 12 ILE CG2 C 13 17.451 . . 1 . . . . 12 ILE CG2 . 17424 1 77 . 1 1 12 12 ILE CD1 C 13 12.742 . . 1 . . . . 12 ILE CD1 . 17424 1 78 . 1 1 12 12 ILE N N 15 122.564 . . 1 . . . . 12 ILE N . 17424 1 79 . 1 1 13 13 LEU H H 1 8.370 . . 1 . . . . 13 LEU HN . 17424 1 80 . 1 1 13 13 LEU HA H 1 3.933 . . 1 . . . . 13 LEU HA . 17424 1 81 . 1 1 13 13 LEU HB2 H 1 1.709 . . 2 . . . . 13 LEU HB2 . 17424 1 82 . 1 1 13 13 LEU HG H 1 1.400 . . 1 . . . . 13 LEU HG . 17424 1 83 . 1 1 13 13 LEU HD11 H 1 0.789 . . 2 . . . . 13 LEU HD11 . 17424 1 84 . 1 1 13 13 LEU HD12 H 1 0.789 . . 2 . . . . 13 LEU HD11 . 17424 1 85 . 1 1 13 13 LEU HD13 H 1 0.789 . . 2 . . . . 13 LEU HD11 . 17424 1 86 . 1 1 13 13 LEU C C 13 178.193 . . 1 . . . . 13 LEU C . 17424 1 87 . 1 1 13 13 LEU CA C 13 58.320 . . 1 . . . . 13 LEU CA . 17424 1 88 . 1 1 13 13 LEU CB C 13 41.730 . . 1 . . . . 13 LEU CB . 17424 1 89 . 1 1 13 13 LEU CG C 13 26.883 . . 1 . . . . 13 LEU CG . 17424 1 90 . 1 1 13 13 LEU CD1 C 13 24.309 . . 1 . . . . 13 LEU CD1 . 17424 1 91 . 1 1 13 13 LEU N N 15 117.440 . . 1 . . . . 13 LEU N . 17424 1 92 . 1 1 14 14 LEU H H 1 8.120 . . 1 . . . . 14 LEU HN . 17424 1 93 . 1 1 14 14 LEU HA H 1 4.214 . . 1 . . . . 14 LEU HA . 17424 1 94 . 1 1 14 14 LEU HB2 H 1 1.956 . . 2 . . . . 14 LEU HB2 . 17424 1 95 . 1 1 14 14 LEU HD11 H 1 1.146 . . 2 . . . . 14 LEU HD11 . 17424 1 96 . 1 1 14 14 LEU HD12 H 1 1.146 . . 2 . . . . 14 LEU HD11 . 17424 1 97 . 1 1 14 14 LEU HD13 H 1 1.146 . . 2 . . . . 14 LEU HD11 . 17424 1 98 . 1 1 14 14 LEU C C 13 178.435 . . 1 . . . . 14 LEU C . 17424 1 99 . 1 1 14 14 LEU CA C 13 58.272 . . 1 . . . . 14 LEU CA . 17424 1 100 . 1 1 14 14 LEU CB C 13 41.423 . . 1 . . . . 14 LEU CB . 17424 1 101 . 1 1 14 14 LEU CG C 13 27.539 . . 1 . . . . 14 LEU CG . 17424 1 102 . 1 1 14 14 LEU CD1 C 13 25.595 . . 1 . . . . 14 LEU CD1 . 17424 1 103 . 1 1 14 14 LEU N N 15 118.680 . . 1 . . . . 14 LEU N . 17424 1 104 . 1 1 15 15 SER H H 1 8.120 . . 1 . . . . 15 SER HN . 17424 1 105 . 1 1 15 15 SER HA H 1 4.033 . . 1 . . . . 15 SER HA . 17424 1 106 . 1 1 15 15 SER C C 13 175.239 . . 1 . . . . 15 SER C . 17424 1 107 . 1 1 15 15 SER CA C 13 63.530 . . 1 . . . . 15 SER CA . 17424 1 108 . 1 1 15 15 SER N N 15 114.854 . . 1 . . . . 15 SER N . 17424 1 109 . 1 1 16 16 ALA H H 1 8.252 . . 1 . . . . 16 ALA HN . 17424 1 110 . 1 1 16 16 ALA HA H 1 3.965 . . 1 . . . . 16 ALA HA . 17424 1 111 . 1 1 16 16 ALA HB1 H 1 1.431 . . 1 . . . . 16 ALA HB3 . 17424 1 112 . 1 1 16 16 ALA HB2 H 1 1.431 . . 1 . . . . 16 ALA HB3 . 17424 1 113 . 1 1 16 16 ALA HB3 H 1 1.431 . . 1 . . . . 16 ALA HB3 . 17424 1 114 . 1 1 16 16 ALA C C 13 178.442 . . 1 . . . . 16 ALA C . 17424 1 115 . 1 1 16 16 ALA CA C 13 55.376 . . 1 . . . . 16 ALA CA . 17424 1 116 . 1 1 16 16 ALA CB C 13 18.292 . . 1 . . . . 16 ALA CB . 17424 1 117 . 1 1 16 16 ALA N N 15 123.086 . . 1 . . . . 16 ALA N . 17424 1 118 . 1 1 17 17 PHE H H 1 8.357 . . 1 . . . . 17 PHE HN . 17424 1 119 . 1 1 17 17 PHE HA H 1 4.150 . . 1 . . . . 17 PHE HA . 17424 1 120 . 1 1 17 17 PHE HB2 H 1 3.221 . . 2 . . . . 17 PHE HB2 . 17424 1 121 . 1 1 17 17 PHE C C 13 176.456 . . 1 . . . . 17 PHE C . 17424 1 122 . 1 1 17 17 PHE CA C 13 61.199 . . 1 . . . . 17 PHE CA . 17424 1 123 . 1 1 17 17 PHE CB C 13 39.212 . . 1 . . . . 17 PHE CB . 17424 1 124 . 1 1 17 17 PHE N N 15 116.851 . . 1 . . . . 17 PHE N . 17424 1 125 . 1 1 18 18 ALA H H 1 8.643 . . 1 . . . . 18 ALA HN . 17424 1 126 . 1 1 18 18 ALA HA H 1 3.781 . . 1 . . . . 18 ALA HA . 17424 1 127 . 1 1 18 18 ALA HB1 H 1 1.440 . . 1 . . . . 18 ALA HB3 . 17424 1 128 . 1 1 18 18 ALA HB2 H 1 1.440 . . 1 . . . . 18 ALA HB3 . 17424 1 129 . 1 1 18 18 ALA HB3 H 1 1.440 . . 1 . . . . 18 ALA HB3 . 17424 1 130 . 1 1 18 18 ALA C C 13 178.925 . . 1 . . . . 18 ALA C . 17424 1 131 . 1 1 18 18 ALA CA C 13 55.587 . . 1 . . . . 18 ALA CA . 17424 1 132 . 1 1 18 18 ALA CB C 13 17.894 . . 1 . . . . 18 ALA CB . 17424 1 133 . 1 1 18 18 ALA N N 15 119.985 . . 1 . . . . 18 ALA N . 17424 1 134 . 1 1 19 19 GLY H H 1 8.448 . . 1 . . . . 19 GLY HN . 17424 1 135 . 1 1 19 19 GLY HA2 H 1 3.570 . . 2 . . . . 19 GLY HA2 . 17424 1 136 . 1 1 19 19 GLY HA3 H 1 3.435 . . 2 . . . . 19 GLY HA3 . 17424 1 137 . 1 1 19 19 GLY C C 13 174.165 . . 1 . . . . 19 GLY C . 17424 1 138 . 1 1 19 19 GLY CA C 13 47.264 . . 1 . . . . 19 GLY CA . 17424 1 139 . 1 1 19 19 GLY N N 15 103.750 . . 1 . . . . 19 GLY N . 17424 1 140 . 1 1 20 20 LEU H H 1 8.195 . . 1 . . . . 20 LEU HN . 17424 1 141 . 1 1 20 20 LEU HA H 1 3.919 . . 1 . . . . 20 LEU HA . 17424 1 142 . 1 1 20 20 LEU HB2 H 1 1.687 . . 2 . . . . 20 LEU HB2 . 17424 1 143 . 1 1 20 20 LEU HG H 1 1.573 . . 1 . . . . 20 LEU HG . 17424 1 144 . 1 1 20 20 LEU HD11 H 1 0.767 . . 2 . . . . 20 LEU HD11 . 17424 1 145 . 1 1 20 20 LEU HD12 H 1 0.767 . . 2 . . . . 20 LEU HD11 . 17424 1 146 . 1 1 20 20 LEU HD13 H 1 0.767 . . 2 . . . . 20 LEU HD11 . 17424 1 147 . 1 1 20 20 LEU HD21 H 1 0.640 . . 2 . . . . 20 LEU HD21 . 17424 1 148 . 1 1 20 20 LEU HD22 H 1 0.640 . . 2 . . . . 20 LEU HD21 . 17424 1 149 . 1 1 20 20 LEU HD23 H 1 0.640 . . 2 . . . . 20 LEU HD21 . 17424 1 150 . 1 1 20 20 LEU C C 13 178.201 . . 1 . . . . 20 LEU C . 17424 1 151 . 1 1 20 20 LEU CA C 13 58.128 . . 1 . . . . 20 LEU CA . 17424 1 152 . 1 1 20 20 LEU CB C 13 41.913 . . 1 . . . . 20 LEU CB . 17424 1 153 . 1 1 20 20 LEU CG C 13 26.879 . . 1 . . . . 20 LEU CG . 17424 1 154 . 1 1 20 20 LEU CD1 C 13 24.262 . . 1 . . . . 20 LEU CD1 . 17424 1 155 . 1 1 20 20 LEU N N 15 121.270 . . 1 . . . . 20 LEU N . 17424 1 156 . 1 1 21 21 LEU H H 1 8.166 . . 1 . . . . 21 LEU HN . 17424 1 157 . 1 1 21 21 LEU HA H 1 3.913 . . 1 . . . . 21 LEU HA . 17424 1 158 . 1 1 21 21 LEU HB2 H 1 1.715 . . 2 . . . . 21 LEU HB2 . 17424 1 159 . 1 1 21 21 LEU HG H 1 1.569 . . 1 . . . . 21 LEU HG . 17424 1 160 . 1 1 21 21 LEU HD11 H 1 0.771 . . 2 . . . . 21 LEU HD11 . 17424 1 161 . 1 1 21 21 LEU HD12 H 1 0.771 . . 2 . . . . 21 LEU HD11 . 17424 1 162 . 1 1 21 21 LEU HD13 H 1 0.771 . . 2 . . . . 21 LEU HD11 . 17424 1 163 . 1 1 21 21 LEU HD21 H 1 0.629 . . 2 . . . . 21 LEU HD21 . 17424 1 164 . 1 1 21 21 LEU HD22 H 1 0.629 . . 2 . . . . 21 LEU HD21 . 17424 1 165 . 1 1 21 21 LEU HD23 H 1 0.629 . . 2 . . . . 21 LEU HD21 . 17424 1 166 . 1 1 21 21 LEU C C 13 178.439 . . 1 . . . . 21 LEU C . 17424 1 167 . 1 1 21 21 LEU CA C 13 58.371 . . 1 . . . . 21 LEU CA . 17424 1 168 . 1 1 21 21 LEU CB C 13 41.571 . . 1 . . . . 21 LEU CB . 17424 1 169 . 1 1 21 21 LEU CG C 13 26.962 . . 1 . . . . 21 LEU CG . 17424 1 170 . 1 1 21 21 LEU CD1 C 13 24.625 . . 1 . . . . 21 LEU CD1 . 17424 1 171 . 1 1 21 21 LEU N N 15 118.121 . . 1 . . . . 21 LEU N . 17424 1 172 . 1 1 22 22 LEU H H 1 8.359 . . 1 . . . . 22 LEU HN . 17424 1 173 . 1 1 22 22 LEU HA H 1 3.949 . . 1 . . . . 22 LEU HA . 17424 1 174 . 1 1 22 22 LEU HB2 H 1 1.893 . . 2 . . . . 22 LEU HB2 . 17424 1 175 . 1 1 22 22 LEU HG H 1 1.466 . . 1 . . . . 22 LEU HG . 17424 1 176 . 1 1 22 22 LEU HD11 H 1 0.782 . . 2 . . . . 22 LEU HD11 . 17424 1 177 . 1 1 22 22 LEU HD12 H 1 0.782 . . 2 . . . . 22 LEU HD11 . 17424 1 178 . 1 1 22 22 LEU HD13 H 1 0.782 . . 2 . . . . 22 LEU HD11 . 17424 1 179 . 1 1 22 22 LEU C C 13 178.270 . . 1 . . . . 22 LEU C . 17424 1 180 . 1 1 22 22 LEU CA C 13 58.380 . . 1 . . . . 22 LEU CA . 17424 1 181 . 1 1 22 22 LEU CB C 13 42.264 . . 1 . . . . 22 LEU CB . 17424 1 182 . 1 1 22 22 LEU CG C 13 25.197 . . 1 . . . . 22 LEU CG . 17424 1 183 . 1 1 22 22 LEU CD1 C 13 23.626 . . 1 . . . . 22 LEU CD1 . 17424 1 184 . 1 1 22 22 LEU N N 15 118.422 . . 1 . . . . 22 LEU N . 17424 1 185 . 1 1 23 23 LEU H H 1 8.328 . . 1 . . . . 23 LEU HN . 17424 1 186 . 1 1 23 23 LEU HA H 1 3.963 . . 1 . . . . 23 LEU HA . 17424 1 187 . 1 1 23 23 LEU HB2 H 1 1.744 . . 2 . . . . 23 LEU HB2 . 17424 1 188 . 1 1 23 23 LEU HG H 1 1.466 . . 1 . . . . 23 LEU HG . 17424 1 189 . 1 1 23 23 LEU HD11 H 1 0.782 . . 2 . . . . 23 LEU HD11 . 17424 1 190 . 1 1 23 23 LEU HD12 H 1 0.782 . . 2 . . . . 23 LEU HD11 . 17424 1 191 . 1 1 23 23 LEU HD13 H 1 0.782 . . 2 . . . . 23 LEU HD11 . 17424 1 192 . 1 1 23 23 LEU HD21 H 1 0.645 . . 2 . . . . 23 LEU HD21 . 17424 1 193 . 1 1 23 23 LEU HD22 H 1 0.645 . . 2 . . . . 23 LEU HD21 . 17424 1 194 . 1 1 23 23 LEU HD23 H 1 0.645 . . 2 . . . . 23 LEU HD21 . 17424 1 195 . 1 1 23 23 LEU C C 13 178.489 . . 1 . . . . 23 LEU C . 17424 1 196 . 1 1 23 23 LEU CA C 13 58.328 . . 1 . . . . 23 LEU CA . 17424 1 197 . 1 1 23 23 LEU CB C 13 41.747 . . 1 . . . . 23 LEU CB . 17424 1 198 . 1 1 23 23 LEU CG C 13 26.810 . . 1 . . . . 23 LEU CG . 17424 1 199 . 1 1 23 23 LEU CD1 C 13 24.493 . . 1 . . . . 23 LEU CD1 . 17424 1 200 . 1 1 23 23 LEU N N 15 118.757 . . 1 . . . . 23 LEU N . 17424 1 201 . 1 1 24 24 MET H H 1 8.366 . . 1 . . . . 24 MET HN . 17424 1 202 . 1 1 24 24 MET HA H 1 3.971 . . 1 . . . . 24 MET HA . 17424 1 203 . 1 1 24 24 MET HB2 H 1 1.962 . . 2 . . . . 24 MET HB2 . 17424 1 204 . 1 1 24 24 MET C C 13 177.828 . . 1 . . . . 24 MET C . 17424 1 205 . 1 1 24 24 MET CA C 13 59.602 . . 1 . . . . 24 MET CA . 17424 1 206 . 1 1 24 24 MET CB C 13 32.753 . . 1 . . . . 24 MET CB . 17424 1 207 . 1 1 24 24 MET N N 15 116.844 . . 1 . . . . 24 MET N . 17424 1 208 . 1 1 25 25 LEU H H 1 8.322 . . 1 . . . . 25 LEU HN . 17424 1 209 . 1 1 25 25 LEU HA H 1 3.949 . . 1 . . . . 25 LEU HA . 17424 1 210 . 1 1 25 25 LEU HB2 H 1 1.745 . . 2 . . . . 25 LEU HB2 . 17424 1 211 . 1 1 25 25 LEU HG H 1 1.466 . . 1 . . . . 25 LEU HG . 17424 1 212 . 1 1 25 25 LEU HD11 H 1 0.782 . . 2 . . . . 25 LEU HD11 . 17424 1 213 . 1 1 25 25 LEU HD12 H 1 0.782 . . 2 . . . . 25 LEU HD11 . 17424 1 214 . 1 1 25 25 LEU HD13 H 1 0.782 . . 2 . . . . 25 LEU HD11 . 17424 1 215 . 1 1 25 25 LEU C C 13 178.500 . . 1 . . . . 25 LEU C . 17424 1 216 . 1 1 25 25 LEU CA C 13 58.403 . . 1 . . . . 25 LEU CA . 17424 1 217 . 1 1 25 25 LEU CB C 13 41.700 . . 1 . . . . 25 LEU CB . 17424 1 218 . 1 1 25 25 LEU CG C 13 26.892 . . 1 . . . . 25 LEU CG . 17424 1 219 . 1 1 25 25 LEU CD1 C 13 24.297 . . 1 . . . . 25 LEU CD1 . 17424 1 220 . 1 1 25 25 LEU N N 15 118.454 . . 1 . . . . 25 LEU N . 17424 1 221 . 1 1 26 26 LEU H H 1 8.182 . . 1 . . . . 26 LEU HN . 17424 1 222 . 1 1 26 26 LEU HA H 1 3.967 . . 1 . . . . 26 LEU HA . 17424 1 223 . 1 1 26 26 LEU HB2 H 1 1.784 . . 2 . . . . 26 LEU HB2 . 17424 1 224 . 1 1 26 26 LEU HG H 1 0.813 . . 1 . . . . 26 LEU HG . 17424 1 225 . 1 1 26 26 LEU C C 13 178.229 . . 1 . . . . 26 LEU C . 17424 1 226 . 1 1 26 26 LEU CA C 13 58.371 . . 1 . . . . 26 LEU CA . 17424 1 227 . 1 1 26 26 LEU CB C 13 41.571 . . 1 . . . . 26 LEU CB . 17424 1 228 . 1 1 26 26 LEU CG C 13 26.988 . . 1 . . . . 26 LEU CG . 17424 1 229 . 1 1 26 26 LEU CD1 C 13 25.690 . . 1 . . . . 26 LEU CD1 . 17424 1 230 . 1 1 26 26 LEU N N 15 117.977 . . 1 . . . . 26 LEU N . 17424 1 231 . 1 1 27 27 ILE H H 1 8.370 . . 1 . . . . 27 ILE HN . 17424 1 232 . 1 1 27 27 ILE HA H 1 4.180 . . 1 . . . . 27 ILE HA . 17424 1 233 . 1 1 27 27 ILE C C 13 177.863 . . 1 . . . . 27 ILE C . 17424 1 234 . 1 1 27 27 ILE CA C 13 65.951 . . 1 . . . . 27 ILE CA . 17424 1 235 . 1 1 27 27 ILE CB C 13 37.190 . . 1 . . . . 27 ILE CB . 17424 1 236 . 1 1 27 27 ILE CG1 C 13 29.971 . . 2 . . . . 27 ILE CG1 . 17424 1 237 . 1 1 27 27 ILE CG2 C 13 18.368 . . 1 . . . . 27 ILE CG2 . 17424 1 238 . 1 1 27 27 ILE N N 15 118.101 . . 1 . . . . 27 ILE N . 17424 1 239 . 1 1 28 28 LEU H H 1 8.454 . . 1 . . . . 28 LEU HN . 17424 1 240 . 1 1 28 28 LEU HA H 1 4.327 . . 1 . . . . 28 LEU HA . 17424 1 241 . 1 1 28 28 LEU HB2 H 1 1.773 . . 2 . . . . 28 LEU HB2 . 17424 1 242 . 1 1 28 28 LEU HG H 1 0.998 . . 1 . . . . 28 LEU HG . 17424 1 243 . 1 1 28 28 LEU C C 13 178.674 . . 1 . . . . 28 LEU C . 17424 1 244 . 1 1 28 28 LEU CA C 13 58.697 . . 1 . . . . 28 LEU CA . 17424 1 245 . 1 1 28 28 LEU CB C 13 42.018 . . 1 . . . . 28 LEU CB . 17424 1 246 . 1 1 28 28 LEU CG C 13 27.151 . . 1 . . . . 28 LEU CG . 17424 1 247 . 1 1 28 28 LEU CD1 C 13 25.317 . . 1 . . . . 28 LEU CD1 . 17424 1 248 . 1 1 28 28 LEU N N 15 119.880 . . 1 . . . . 28 LEU N . 17424 1 249 . 1 1 29 29 ALA H H 1 8.622 . . 1 . . . . 29 ALA HN . 17424 1 250 . 1 1 29 29 ALA HA H 1 3.964 . . 1 . . . . 29 ALA HA . 17424 1 251 . 1 1 29 29 ALA HB1 H 1 1.484 . . 1 . . . . 29 ALA HB3 . 17424 1 252 . 1 1 29 29 ALA HB2 H 1 1.484 . . 1 . . . . 29 ALA HB3 . 17424 1 253 . 1 1 29 29 ALA HB3 H 1 1.484 . . 1 . . . . 29 ALA HB3 . 17424 1 254 . 1 1 29 29 ALA C C 13 179.088 . . 1 . . . . 29 ALA C . 17424 1 255 . 1 1 29 29 ALA CA C 13 55.737 . . 1 . . . . 29 ALA CA . 17424 1 256 . 1 1 29 29 ALA CB C 13 18.625 . . 1 . . . . 29 ALA CB . 17424 1 257 . 1 1 29 29 ALA N N 15 121.244 . . 1 . . . . 29 ALA N . 17424 1 258 . 1 1 30 30 LEU H H 1 8.505 . . 1 . . . . 30 LEU HN . 17424 1 259 . 1 1 30 30 LEU HA H 1 3.950 . . 1 . . . . 30 LEU HA . 17424 1 260 . 1 1 30 30 LEU C C 13 178.965 . . 1 . . . . 30 LEU C . 17424 1 261 . 1 1 30 30 LEU CA C 13 57.585 . . 1 . . . . 30 LEU CA . 17424 1 262 . 1 1 30 30 LEU CB C 13 41.604 . . 1 . . . . 30 LEU CB . 17424 1 263 . 1 1 30 30 LEU CG C 13 25.543 . . 1 . . . . 30 LEU CG . 17424 1 264 . 1 1 30 30 LEU CD1 C 13 22.434 . . 1 . . . . 30 LEU CD1 . 17424 1 265 . 1 1 30 30 LEU N N 15 116.622 . . 1 . . . . 30 LEU N . 17424 1 266 . 1 1 31 31 TRP H H 1 8.914 . . 1 . . . . 31 TRP HN . 17424 1 267 . 1 1 31 31 TRP HA H 1 3.950 . . 1 . . . . 31 TRP HA . 17424 1 268 . 1 1 31 31 TRP HB2 H 1 3.440 . . 2 . . . . 31 TRP HB2 . 17424 1 269 . 1 1 31 31 TRP C C 13 180.295 . . 1 . . . . 31 TRP C . 17424 1 270 . 1 1 31 31 TRP CA C 13 59.554 . . 1 . . . . 31 TRP CA . 17424 1 271 . 1 1 31 31 TRP CB C 13 28.757 . . 1 . . . . 31 TRP CB . 17424 1 272 . 1 1 31 31 TRP N N 15 120.632 . . 1 . . . . 31 TRP N . 17424 1 273 . 1 1 32 32 LYS H H 1 8.642 . . 1 . . . . 32 LYS HN . 17424 1 274 . 1 1 32 32 LYS HA H 1 3.732 . . 1 . . . . 32 LYS HA . 17424 1 275 . 1 1 32 32 LYS HB2 H 1 1.968 . . 2 . . . . 32 LYS HB2 . 17424 1 276 . 1 1 32 32 LYS HG2 H 1 1.413 . . 2 . . . . 32 LYS HG2 . 17424 1 277 . 1 1 32 32 LYS HE2 H 1 3.179 . . 2 . . . . 32 LYS HE2 . 17424 1 278 . 1 1 32 32 LYS C C 13 177.886 . . 1 . . . . 32 LYS C . 17424 1 279 . 1 1 32 32 LYS CA C 13 58.220 . . 1 . . . . 32 LYS CA . 17424 1 280 . 1 1 32 32 LYS CB C 13 32.057 . . 1 . . . . 32 LYS CB . 17424 1 281 . 1 1 32 32 LYS CG C 13 25.012 . . 1 . . . . 32 LYS CG . 17424 1 282 . 1 1 32 32 LYS CD C 13 28.195 . . 1 . . . . 32 LYS CD . 17424 1 283 . 1 1 32 32 LYS CE C 13 41.835 . . 1 . . . . 32 LYS CE . 17424 1 284 . 1 1 32 32 LYS N N 15 120.307 . . 1 . . . . 32 LYS N . 17424 1 285 . 1 1 33 33 ILE H H 1 8.117 . . 1 . . . . 33 ILE HN . 17424 1 286 . 1 1 33 33 ILE HA H 1 4.248 . . 1 . . . . 33 ILE HA . 17424 1 287 . 1 1 33 33 ILE HB H 1 2.157 . . 1 . . . . 33 ILE HB . 17424 1 288 . 1 1 33 33 ILE HG21 H 1 0.957 . . 2 . . . . 33 ILE HG21 . 17424 1 289 . 1 1 33 33 ILE HG22 H 1 0.957 . . 2 . . . . 33 ILE HG21 . 17424 1 290 . 1 1 33 33 ILE HG23 H 1 0.957 . . 2 . . . . 33 ILE HG21 . 17424 1 291 . 1 1 33 33 ILE C C 13 176.007 . . 1 . . . . 33 ILE C . 17424 1 292 . 1 1 33 33 ILE CA C 13 62.328 . . 1 . . . . 33 ILE CA . 17424 1 293 . 1 1 33 33 ILE CB C 13 38.073 . . 1 . . . . 33 ILE CB . 17424 1 294 . 1 1 33 33 ILE CG1 C 13 28.008 . . 2 . . . . 33 ILE CG1 . 17424 1 295 . 1 1 33 33 ILE CG2 C 13 17.814 . . 1 . . . . 33 ILE CG2 . 17424 1 296 . 1 1 33 33 ILE CD1 C 13 14.955 . . 1 . . . . 33 ILE CD1 . 17424 1 297 . 1 1 33 33 ILE N N 15 112.728 . . 1 . . . . 33 ILE N . 17424 1 298 . 1 1 34 34 GLY H H 1 7.659 . . 1 . . . . 34 GLY HN . 17424 1 299 . 1 1 34 34 GLY HA2 H 1 4.243 . . 2 . . . . 34 GLY HA2 . 17424 1 300 . 1 1 34 34 GLY HA3 H 1 3.906 . . 2 . . . . 34 GLY HA3 . 17424 1 301 . 1 1 34 34 GLY C C 13 175.948 . . 1 . . . . 34 GLY C . 17424 1 302 . 1 1 34 34 GLY CA C 13 45.957 . . 1 . . . . 34 GLY CA . 17424 1 303 . 1 1 34 34 GLY N N 15 107.157 . . 1 . . . . 34 GLY N . 17424 1 304 . 1 1 35 35 PHE H H 1 8.151 . . 1 . . . . 35 PHE HN . 17424 1 305 . 1 1 35 35 PHE HA H 1 4.078 . . 1 . . . . 35 PHE HA . 17424 1 306 . 1 1 35 35 PHE HB2 H 1 2.736 . . 2 . . . . 35 PHE HB2 . 17424 1 307 . 1 1 35 35 PHE HB3 H 1 2.300 . . 2 . . . . 35 PHE HB3 . 17424 1 308 . 1 1 35 35 PHE HD1 H 1 7.094 . . 3 . . . . 35 PHE HD1 . 17424 1 309 . 1 1 35 35 PHE HD2 H 1 6.585 . . 3 . . . . 35 PHE HD2 . 17424 1 310 . 1 1 35 35 PHE C C 13 175.213 . . 1 . . . . 35 PHE C . 17424 1 311 . 1 1 35 35 PHE CA C 13 60.319 . . 1 . . . . 35 PHE CA . 17424 1 312 . 1 1 35 35 PHE CB C 13 41.066 . . 1 . . . . 35 PHE CB . 17424 1 313 . 1 1 35 35 PHE N N 15 119.578 . . 1 . . . . 35 PHE N . 17424 1 314 . 1 1 36 36 PHE H H 1 8.365 . . 1 . . . . 36 PHE HN . 17424 1 315 . 1 1 36 36 PHE HA H 1 4.559 . . 1 . . . . 36 PHE HA . 17424 1 316 . 1 1 36 36 PHE HB2 H 1 3.403 . . 2 . . . . 36 PHE HB2 . 17424 1 317 . 1 1 36 36 PHE HB3 H 1 2.970 . . 2 . . . . 36 PHE HB3 . 17424 1 318 . 1 1 36 36 PHE HD1 H 1 7.106 . . 3 . . . . 36 PHE HD1 . 17424 1 319 . 1 1 36 36 PHE HD2 H 1 6.580 . . 3 . . . . 36 PHE HD2 . 17424 1 320 . 1 1 36 36 PHE C C 13 175.028 . . 1 . . . . 36 PHE C . 17424 1 321 . 1 1 36 36 PHE CA C 13 57.135 . . 1 . . . . 36 PHE CA . 17424 1 322 . 1 1 36 36 PHE CB C 13 38.374 . . 1 . . . . 36 PHE CB . 17424 1 323 . 1 1 36 36 PHE N N 15 112.527 . . 1 . . . . 36 PHE N . 17424 1 324 . 1 1 37 37 LYS H H 1 7.337 . . 1 . . . . 37 LYS HN . 17424 1 325 . 1 1 37 37 LYS HA H 1 4.218 . . 1 . . . . 37 LYS HA . 17424 1 326 . 1 1 37 37 LYS HB2 H 1 1.741 . . 2 . . . . 37 LYS HB2 . 17424 1 327 . 1 1 37 37 LYS HG2 H 1 1.397 . . 2 . . . . 37 LYS HG2 . 17424 1 328 . 1 1 37 37 LYS HE2 H 1 3.136 . . 2 . . . . 37 LYS HE2 . 17424 1 329 . 1 1 37 37 LYS C C 13 176.088 . . 1 . . . . 37 LYS C . 17424 1 330 . 1 1 37 37 LYS CA C 13 56.693 . . 1 . . . . 37 LYS CA . 17424 1 331 . 1 1 37 37 LYS CB C 13 33.416 . . 1 . . . . 37 LYS CB . 17424 1 332 . 1 1 37 37 LYS CG C 13 25.026 . . 1 . . . . 37 LYS CG . 17424 1 333 . 1 1 37 37 LYS CD C 13 29.277 . . 1 . . . . 37 LYS CD . 17424 1 334 . 1 1 37 37 LYS CE C 13 42.032 . . 1 . . . . 37 LYS CE . 17424 1 335 . 1 1 37 37 LYS N N 15 120.546 . . 1 . . . . 37 LYS N . 17424 1 336 . 1 1 38 38 ARG H H 1 8.454 . . 1 . . . . 38 ARG HN . 17424 1 337 . 1 1 38 38 ARG HA H 1 4.220 . . 1 . . . . 38 ARG HA . 17424 1 338 . 1 1 38 38 ARG HB2 H 1 1.782 . . 2 . . . . 38 ARG HB2 . 17424 1 339 . 1 1 38 38 ARG HB3 H 1 1.696 . . 2 . . . . 38 ARG HB3 . 17424 1 340 . 1 1 38 38 ARG HG2 H 1 1.393 . . 2 . . . . 38 ARG HG2 . 17424 1 341 . 1 1 38 38 ARG CA C 13 54.032 . . 1 . . . . 38 ARG CA . 17424 1 342 . 1 1 38 38 ARG CB C 13 30.104 . . 1 . . . . 38 ARG CB . 17424 1 343 . 1 1 38 38 ARG N N 15 124.100 . . 1 . . . . 38 ARG N . 17424 1 344 . 1 1 39 39 PRO HA H 1 4.405 . . 1 . . . . 39 PRO HA . 17424 1 345 . 1 1 39 39 PRO HB2 H 1 2.274 . . 2 . . . . 39 PRO HB2 . 17424 1 346 . 1 1 39 39 PRO HB3 H 1 1.840 . . 2 . . . . 39 PRO HB3 . 17424 1 347 . 1 1 39 39 PRO HG2 H 1 2.003 . . 2 . . . . 39 PRO HG2 . 17424 1 348 . 1 1 39 39 PRO HD2 H 1 3.610 . . 2 . . . . 39 PRO HD2 . 17424 1 349 . 1 1 39 39 PRO HD3 H 1 3.798 . . 2 . . . . 39 PRO HD3 . 17424 1 350 . 1 1 39 39 PRO C C 13 176.585 . . 1 . . . . 39 PRO C . 17424 1 351 . 1 1 39 39 PRO CA C 13 62.656 . . 1 . . . . 39 PRO CA . 17424 1 352 . 1 1 39 39 PRO CB C 13 32.209 . . 1 . . . . 39 PRO CB . 17424 1 353 . 1 1 39 39 PRO CG C 13 27.579 . . 1 . . . . 39 PRO CG . 17424 1 354 . 1 1 39 39 PRO CD C 13 50.688 . . 1 . . . . 39 PRO CD . 17424 1 355 . 1 1 40 40 LEU H H 1 8.305 . . 1 . . . . 40 LEU HN . 17424 1 356 . 1 1 40 40 LEU HA H 1 4.305 . . 1 . . . . 40 LEU HA . 17424 1 357 . 1 1 40 40 LEU HB2 H 1 1.586 . . 2 . . . . 40 LEU HB2 . 17424 1 358 . 1 1 40 40 LEU HG H 1 1.647 . . 1 . . . . 40 LEU HG . 17424 1 359 . 1 1 40 40 LEU HD11 H 1 0.920 . . 2 . . . . 40 LEU HD11 . 17424 1 360 . 1 1 40 40 LEU HD12 H 1 0.920 . . 2 . . . . 40 LEU HD11 . 17424 1 361 . 1 1 40 40 LEU HD13 H 1 0.920 . . 2 . . . . 40 LEU HD11 . 17424 1 362 . 1 1 40 40 LEU C C 13 177.246 . . 1 . . . . 40 LEU C . 17424 1 363 . 1 1 40 40 LEU CA C 13 54.977 . . 1 . . . . 40 LEU CA . 17424 1 364 . 1 1 40 40 LEU CB C 13 42.461 . . 1 . . . . 40 LEU CB . 17424 1 365 . 1 1 40 40 LEU CG C 13 27.167 . . 1 . . . . 40 LEU CG . 17424 1 366 . 1 1 40 40 LEU CD1 C 13 24.936 . . 1 . . . . 40 LEU CD1 . 17424 1 367 . 1 1 40 40 LEU CD2 C 13 23.911 . . 1 . . . . 40 LEU CD2 . 17424 1 368 . 1 1 40 40 LEU N N 15 122.848 . . 1 . . . . 40 LEU N . 17424 1 369 . 1 1 41 41 LYS H H 1 8.240 . . 1 . . . . 41 LYS HN . 17424 1 370 . 1 1 41 41 LYS HA H 1 4.260 . . 1 . . . . 41 LYS HA . 17424 1 371 . 1 1 41 41 LYS HB2 H 1 1.786 . . 2 . . . . 41 LYS HB2 . 17424 1 372 . 1 1 41 41 LYS HG2 H 1 1.423 . . 2 . . . . 41 LYS HG2 . 17424 1 373 . 1 1 41 41 LYS HD2 H 1 1.702 . . 2 . . . . 41 LYS HD2 . 17424 1 374 . 1 1 41 41 LYS HE2 H 1 2.976 . . 2 . . . . 41 LYS HE2 . 17424 1 375 . 1 1 41 41 LYS C C 13 176.302 . . 1 . . . . 41 LYS C . 17424 1 376 . 1 1 41 41 LYS CA C 13 56.031 . . 1 . . . . 41 LYS CA . 17424 1 377 . 1 1 41 41 LYS CB C 13 33.286 . . 1 . . . . 41 LYS CB . 17424 1 378 . 1 1 41 41 LYS CG C 13 24.976 . . 1 . . . . 41 LYS CG . 17424 1 379 . 1 1 41 41 LYS CD C 13 29.246 . . 1 . . . . 41 LYS CD . 17424 1 380 . 1 1 41 41 LYS CE C 13 42.105 . . 1 . . . . 41 LYS CE . 17424 1 381 . 1 1 41 41 LYS N N 15 122.848 . . 1 . . . . 41 LYS N . 17424 1 382 . 1 1 42 42 LYS H H 1 8.357 . . 1 . . . . 42 LYS HN . 17424 1 383 . 1 1 42 42 LYS HA H 1 4.263 . . 1 . . . . 42 LYS HA . 17424 1 384 . 1 1 42 42 LYS HB2 H 1 1.769 . . 2 . . . . 42 LYS HB2 . 17424 1 385 . 1 1 42 42 LYS HG2 H 1 1.416 . . 2 . . . . 42 LYS HG2 . 17424 1 386 . 1 1 42 42 LYS HE2 H 1 2.968 . . 2 . . . . 42 LYS HE2 . 17424 1 387 . 1 1 42 42 LYS C C 13 176.249 . . 1 . . . . 42 LYS C . 17424 1 388 . 1 1 42 42 LYS CA C 13 56.387 . . 1 . . . . 42 LYS CA . 17424 1 389 . 1 1 42 42 LYS CB C 13 33.365 . . 1 . . . . 42 LYS CB . 17424 1 390 . 1 1 42 42 LYS CG C 13 25.091 . . 1 . . . . 42 LYS CG . 17424 1 391 . 1 1 42 42 LYS CD C 13 29.136 . . 1 . . . . 42 LYS CD . 17424 1 392 . 1 1 42 42 LYS CE C 13 41.991 . . 1 . . . . 42 LYS CE . 17424 1 393 . 1 1 42 42 LYS N N 15 123.333 . . 1 . . . . 42 LYS N . 17424 1 394 . 1 1 43 43 LYS H H 1 8.386 . . 1 . . . . 43 LYS HN . 17424 1 395 . 1 1 43 43 LYS CA C 13 56.240 . . 1 . . . . 43 LYS CA . 17424 1 396 . 1 1 43 43 LYS CB C 13 33.327 . . 1 . . . . 43 LYS CB . 17424 1 397 . 1 1 43 43 LYS N N 15 123.630 . . 1 . . . . 43 LYS N . 17424 1 398 . 1 1 45 45 GLU HA H 1 4.258 . . 1 . . . . 45 GLU HA . 17424 1 399 . 1 1 45 45 GLU HB2 H 1 1.957 . . 2 . . . . 45 GLU HB2 . 17424 1 400 . 1 1 45 45 GLU C C 13 176.129 . . 1 . . . . 45 GLU C . 17424 1 401 . 1 1 45 45 GLU CA C 13 56.734 . . 1 . . . . 45 GLU CA . 17424 1 402 . 1 1 45 45 GLU CB C 13 30.730 . . 1 . . . . 45 GLU CB . 17424 1 403 . 1 1 45 45 GLU CG C 13 36.158 . . 1 . . . . 45 GLU CG . 17424 1 404 . 1 1 46 46 LYS H H 1 8.318 . . 1 . . . . 46 LYS HN . 17424 1 405 . 1 1 46 46 LYS HA H 1 4.269 . . 1 . . . . 46 LYS HA . 17424 1 406 . 1 1 46 46 LYS HB2 H 1 1.760 . . 2 . . . . 46 LYS HB2 . 17424 1 407 . 1 1 46 46 LYS HG2 H 1 1.383 . . 2 . . . . 46 LYS HG2 . 17424 1 408 . 1 1 46 46 LYS HD2 H 1 1.676 . . 2 . . . . 46 LYS HD2 . 17424 1 409 . 1 1 46 46 LYS HE2 H 1 2.951 . . 2 . . . . 46 LYS HE2 . 17424 1 410 . 1 1 46 46 LYS C C 13 176.150 . . 1 . . . . 46 LYS C . 17424 1 411 . 1 1 46 46 LYS CA C 13 56.378 . . 1 . . . . 46 LYS CA . 17424 1 412 . 1 1 46 46 LYS CB C 13 32.940 . . 1 . . . . 46 LYS CB . 17424 1 413 . 1 1 46 46 LYS CG C 13 24.949 . . 1 . . . . 46 LYS CG . 17424 1 414 . 1 1 46 46 LYS CD C 13 29.280 . . 1 . . . . 46 LYS CD . 17424 1 415 . 1 1 46 46 LYS CE C 13 42.106 . . 1 . . . . 46 LYS CE . 17424 1 416 . 1 1 46 46 LYS N N 15 122.245 . . 1 . . . . 46 LYS N . 17424 1 stop_ save_