data_18119 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18119 _Entry.Title ; ITK-SH3 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-05 _Entry.Accession_date 2011-12-05 _Entry.Last_release_date 2012-12-04 _Entry.Original_release_date 2012-12-04 _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, 20 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 'Per Eugen' Kristiansen . . . 18119 2 'Thorny Cesilie' 'Bie Andersen' . . . 18119 3 Zsuzsi Huszenicza . . . 18119 4 Amy Andreotti . H. . 18119 5 Anne Spurkland . . . 18119 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' . 18119 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ITK-SH3 . 18119 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18119 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 276 18119 '15N chemical shifts' 67 18119 '1H chemical shifts' 459 18119 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 . . 2012-12-04 2011-12-05 original author . 18119 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LMJ 'BMRB Entry Tracking System' 18119 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18119 _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 'The SH3 domains of the Tec family kinase Itk and the Src family kinase Lck compete for adjacent sites on T-cell specific adapter protein' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _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 'Thorny Cesilie' 'Bie Andersen' . . . 18119 1 2 'Per Eugen' Kristiansen . . . 18119 1 3 Zsuzsi Huszenicza . . . 18119 1 4 Amy Andreotti . H. . 18119 1 5 Anne Spurkland . . . 18119 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18119 _Assembly.ID 1 _Assembly.Name ITK-SH3 _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 ITK-SH3 1 $entity A . yes native no no . . . 18119 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18119 _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 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPLGSPEETVVIALYDYQTN DPQELALRRNEEYCLLDSSE IHWWRVQDRNGHEGYVPSSY LVEKSP ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7658.411 _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 BMRB 10211 . "SH3 domain" . . . . . 98.48 85 96.92 96.92 7.03e-37 . . . . 18119 1 2 no PDB 2LMJ . Itk-Sh3 . . . . . 100.00 66 100.00 100.00 5.53e-40 . . . . 18119 1 3 no PDB 2YUQ . "Solution Structure Of The Sh3 Domain Of Human Tyrosine- Protein Kinase ItkTSK" . . . . . 98.48 85 96.92 96.92 7.03e-37 . . . . 18119 1 4 no DBJ BAA02873 . "ITK [Homo sapiens]" . . . . . 98.48 620 96.92 96.92 2.31e-34 . . . . 18119 1 5 no DBJ BAD92859 . "IL2-inducible T-cell kinase variant [Homo sapiens]" . . . . . 98.48 376 96.92 96.92 5.68e-35 . . . . 18119 1 6 no DBJ BAG35699 . "unnamed protein product [Homo sapiens]" . . . . . 98.48 620 96.92 96.92 2.31e-34 . . . . 18119 1 7 no DBJ BAJ20704 . "IL2-inducible T-cell kinase [synthetic construct]" . . . . . 98.48 620 96.92 96.92 2.31e-34 . . . . 18119 1 8 no GB AAA36748 . "tyrosine kinase [Homo sapiens]" . . . . . 98.48 620 96.92 96.92 2.31e-34 . . . . 18119 1 9 no GB AAB28072 . "EMT [Homo sapiens]" . . . . . 98.48 620 96.92 96.92 2.48e-34 . . . . 18119 1 10 no GB AAI09078 . "IL2-inducible T-cell kinase [Homo sapiens]" . . . . . 98.48 620 96.92 96.92 2.31e-34 . . . . 18119 1 11 no GB AAI09079 . "IL2-inducible T-cell kinase [Homo sapiens]" . . . . . 98.48 620 96.92 96.92 2.31e-34 . . . . 18119 1 12 no GB AAQ02517 . "IL2-inducible T-cell kinase, partial [synthetic construct]" . . . . . 98.48 621 96.92 96.92 2.33e-34 . . . . 18119 1 13 no REF NP_001253373 . "tyrosine-protein kinase ITK/TSK [Macaca mulatta]" . . . . . 98.48 620 96.92 96.92 2.46e-34 . . . . 18119 1 14 no REF NP_005537 . "tyrosine-protein kinase ITK/TSK [Homo sapiens]" . . . . . 98.48 620 96.92 96.92 2.31e-34 . . . . 18119 1 15 no REF XP_001136073 . "PREDICTED: tyrosine-protein kinase ITK/TSK isoform X1 [Pan troglodytes]" . . . . . 98.48 620 96.92 96.92 2.02e-34 . . . . 18119 1 16 no REF XP_003782051 . "PREDICTED: tyrosine-protein kinase ITK/TSK [Otolemur garnettii]" . . . . . 90.91 620 98.33 98.33 4.63e-31 . . . . 18119 1 17 no REF XP_004042942 . "PREDICTED: tyrosine-protein kinase ITK/TSK [Gorilla gorilla gorilla]" . . . . . 98.48 620 96.92 96.92 2.20e-34 . . . . 18119 1 18 no SP Q08881 . "RecName: Full=Tyrosine-protein kinase ITK/TSK; AltName: Full=Interleukin-2-inducible T-cell kinase; Short=IL-2-inducible T-cell" . . . . . 98.48 620 96.92 96.92 2.31e-34 . . . . 18119 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 . GLY . 18119 1 2 . PRO . 18119 1 3 . LEU . 18119 1 4 . GLY . 18119 1 5 . SER . 18119 1 6 . PRO . 18119 1 7 . GLU . 18119 1 8 . GLU . 18119 1 9 . THR . 18119 1 10 . VAL . 18119 1 11 . VAL . 18119 1 12 . ILE . 18119 1 13 . ALA . 18119 1 14 . LEU . 18119 1 15 . TYR . 18119 1 16 . ASP . 18119 1 17 . TYR . 18119 1 18 . GLN . 18119 1 19 . THR . 18119 1 20 . ASN . 18119 1 21 . ASP . 18119 1 22 . PRO . 18119 1 23 . GLN . 18119 1 24 . GLU . 18119 1 25 . LEU . 18119 1 26 . ALA . 18119 1 27 . LEU . 18119 1 28 . ARG . 18119 1 29 . ARG . 18119 1 30 . ASN . 18119 1 31 . GLU . 18119 1 32 . GLU . 18119 1 33 . TYR . 18119 1 34 . CYS . 18119 1 35 . LEU . 18119 1 36 . LEU . 18119 1 37 . ASP . 18119 1 38 . SER . 18119 1 39 . SER . 18119 1 40 . GLU . 18119 1 41 . ILE . 18119 1 42 . HIS . 18119 1 43 . TRP . 18119 1 44 . TRP . 18119 1 45 . ARG . 18119 1 46 . VAL . 18119 1 47 . GLN . 18119 1 48 . ASP . 18119 1 49 . ARG . 18119 1 50 . ASN . 18119 1 51 . GLY . 18119 1 52 . HIS . 18119 1 53 . GLU . 18119 1 54 . GLY . 18119 1 55 . TYR . 18119 1 56 . VAL . 18119 1 57 . PRO . 18119 1 58 . SER . 18119 1 59 . SER . 18119 1 60 . TYR . 18119 1 61 . LEU . 18119 1 62 . VAL . 18119 1 63 . GLU . 18119 1 64 . LYS . 18119 1 65 . SER . 18119 1 66 . PRO . 18119 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18119 1 . PRO 2 2 18119 1 . LEU 3 3 18119 1 . GLY 4 4 18119 1 . SER 5 5 18119 1 . PRO 6 6 18119 1 . GLU 7 7 18119 1 . GLU 8 8 18119 1 . THR 9 9 18119 1 . VAL 10 10 18119 1 . VAL 11 11 18119 1 . ILE 12 12 18119 1 . ALA 13 13 18119 1 . LEU 14 14 18119 1 . TYR 15 15 18119 1 . ASP 16 16 18119 1 . TYR 17 17 18119 1 . GLN 18 18 18119 1 . THR 19 19 18119 1 . ASN 20 20 18119 1 . ASP 21 21 18119 1 . PRO 22 22 18119 1 . GLN 23 23 18119 1 . GLU 24 24 18119 1 . LEU 25 25 18119 1 . ALA 26 26 18119 1 . LEU 27 27 18119 1 . ARG 28 28 18119 1 . ARG 29 29 18119 1 . ASN 30 30 18119 1 . GLU 31 31 18119 1 . GLU 32 32 18119 1 . TYR 33 33 18119 1 . CYS 34 34 18119 1 . LEU 35 35 18119 1 . LEU 36 36 18119 1 . ASP 37 37 18119 1 . SER 38 38 18119 1 . SER 39 39 18119 1 . GLU 40 40 18119 1 . ILE 41 41 18119 1 . HIS 42 42 18119 1 . TRP 43 43 18119 1 . TRP 44 44 18119 1 . ARG 45 45 18119 1 . VAL 46 46 18119 1 . GLN 47 47 18119 1 . ASP 48 48 18119 1 . ARG 49 49 18119 1 . ASN 50 50 18119 1 . GLY 51 51 18119 1 . HIS 52 52 18119 1 . GLU 53 53 18119 1 . GLY 54 54 18119 1 . TYR 55 55 18119 1 . VAL 56 56 18119 1 . PRO 57 57 18119 1 . SER 58 58 18119 1 . SER 59 59 18119 1 . TYR 60 60 18119 1 . LEU 61 61 18119 1 . VAL 62 62 18119 1 . GLU 63 63 18119 1 . LYS 64 64 18119 1 . SER 65 65 18119 1 . PRO 66 66 18119 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 18119 _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 . . . . . . . . . . . . . . . . . . . . . 18119 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 18119 _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' 'Escherichia coli' . . . Escherichia coli bl21 . . . . . . . . . . . . . . . pGex-6P-1 . . . . . . 18119 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18119 _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 ITK-SH3 '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.0 . . mM 0.1 . . . 18119 1 2 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18119 1 3 D2O '[U-98% 2H]' . . . . . . 5 . . % . . . . 18119 1 4 DSS 'natural abundance' . . . . . . 0.2 . . mM 0.02 . . . 18119 1 5 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 1.0 . . . 18119 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18119 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 ITK-SH3 '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.0 . . mM 0.1 . . . 18119 2 2 D2O '[U-99.98% 2H]' . . . . . . 100 . . % . . . . 18119 2 3 DSS 'natural abundance' . . . . . . 0.2 . . mM 0.02 . . . 18119 2 4 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM 1.0 . . . 18119 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 18119 _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 1 mM 18119 1 pH 6.5 0.05 pH 18119 1 pressure 1 . atm 18119 1 temperature 298 . K 18119 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 18119 _Sample_condition_list.ID 2 _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 1 mM 18119 2 pH 6.5 0.05 pH 18119 2 pressure 1 . atm 18119 2 temperature 293 . K 18119 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 18119 _Sample_condition_list.ID 3 _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 1 mM 18119 3 pH 6.5 0.05 pH 18119 3 pressure 1 . atm 18119 3 temperature 288 . K 18119 3 stop_ save_ save_sample_conditions_4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_4 _Sample_condition_list.Entry_ID 18119 _Sample_condition_list.ID 4 _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 1 mM 18119 4 pH 6.5 0.05 pH 18119 4 pressure 1 . atm 18119 4 temperature 283 . K 18119 4 stop_ save_ save_sample_conditions_5 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_5 _Sample_condition_list.Entry_ID 18119 _Sample_condition_list.ID 5 _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 1 mM 18119 5 pH 6.5 0.05 pH 18119 5 pressure 1 . atm 18119 5 temperature 303 . K 18119 5 stop_ save_ save_sample_conditions_6 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_6 _Sample_condition_list.Entry_ID 18119 _Sample_condition_list.ID 6 _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 1 mM 18119 6 pH 6.5 0.05 pH 18119 6 pressure 1 . atm 18119 6 temperature 308 . K 18119 6 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18119 _Software.ID 1 _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' . . 18119 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18119 1 'structure solution' 18119 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 18119 _Software.ID 2 _Software.Name SPARKY _Software.Version 3.114 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. D. Goddard and D. G. Kneller,' . . 18119 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18119 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18119 _Software.ID 3 _Software.Name CARA _Software.Version 1.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Fred Damberger' . . 18119 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18119 3 'peak picking' 18119 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18119 _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' . . 18119 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18119 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18119 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 2.1p4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18119 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18119 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 18119 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'Avance II' _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 18119 _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 II' . 600 . . . 18119 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 18119 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 6 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 9 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 10 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 12 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 13 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 14 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 15 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 16 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 17 '3D CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 18 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 19 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 20 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 21 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 4 $sample_conditions_4 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 22 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 5 $sample_conditions_5 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 23 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 6 $sample_conditions_6 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 24 1H no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 1 25 1H no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18119 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 18119 _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 . . . . . . . . . 18119 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18119 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18119 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 18119 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18119 1 2 '2D 1H-13C HSQC' . . . 18119 1 3 '3D 1H-15N NOESY' . . . 18119 1 4 '3D HNCO' . . . 18119 1 5 '3D CBCA(CO)NH' . . . 18119 1 8 '3D HBHA(CO)NH' . . . 18119 1 9 '3D HN(CO)CA' . . . 18119 1 12 '3D C(CO)NH' . . . 18119 1 13 '3D H(CCO)NH' . . . 18119 1 16 '3D HCCH-TOCSY' . . . 18119 1 17 '3D CCH-TOCSY' . . . 18119 1 18 '3D 1H-13C NOESY' . . . 18119 1 24 1H . . . 18119 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 GLY HA2 H 1 3.963 0.000 . 2 . . . A 1 GLY HA2 . 18119 1 2 . 1 1 1 1 GLY HA3 H 1 3.963 0.000 . 2 . . . A 1 GLY HA3 . 18119 1 3 . 1 1 1 1 GLY CA C 13 43.296 0.000 . 1 . . . A 1 GLY CA . 18119 1 4 . 1 1 2 2 PRO HA H 1 4.454 0.000 . 1 . . . A 2 PRO HA . 18119 1 5 . 1 1 2 2 PRO HB2 H 1 2.291 0.000 . 2 . . . A 2 PRO HB2 . 18119 1 6 . 1 1 2 2 PRO HB3 H 1 1.936 0.000 . 2 . . . A 2 PRO HB3 . 18119 1 7 . 1 1 2 2 PRO HG2 H 1 1.989 0.000 . 2 . . . A 2 PRO HG2 . 18119 1 8 . 1 1 2 2 PRO HG3 H 1 1.989 0.000 . 2 . . . A 2 PRO HG3 . 18119 1 9 . 1 1 2 2 PRO HD2 H 1 3.564 0.000 . 2 . . . A 2 PRO HD2 . 18119 1 10 . 1 1 2 2 PRO HD3 H 1 3.564 0.000 . 2 . . . A 2 PRO HD3 . 18119 1 11 . 1 1 2 2 PRO CA C 13 62.989 0.000 . 1 . . . A 2 PRO CA . 18119 1 12 . 1 1 2 2 PRO CB C 13 32.198 0.000 . 1 . . . A 2 PRO CB . 18119 1 13 . 1 1 2 2 PRO CG C 13 26.837 0.000 . 1 . . . A 2 PRO CG . 18119 1 14 . 1 1 2 2 PRO CD C 13 49.592 0.000 . 1 . . . A 2 PRO CD . 18119 1 15 . 1 1 3 3 LEU H H 1 8.577 0.000 . 1 . . . A 3 LEU H . 18119 1 16 . 1 1 3 3 LEU HA H 1 4.306 0.000 . 1 . . . A 3 LEU HA . 18119 1 17 . 1 1 3 3 LEU HB2 H 1 1.610 0.000 . 2 . . . A 3 LEU HB2 . 18119 1 18 . 1 1 3 3 LEU HB3 H 1 1.671 0.000 . 2 . . . A 3 LEU HB3 . 18119 1 19 . 1 1 3 3 LEU HG H 1 1.155 0.000 . 1 . . . A 3 LEU HG . 18119 1 20 . 1 1 3 3 LEU HD11 H 1 0.874 0.000 . . . . . A 3 LEU HD11 . 18119 1 21 . 1 1 3 3 LEU HD12 H 1 0.874 0.000 . . . . . A 3 LEU HD12 . 18119 1 22 . 1 1 3 3 LEU HD13 H 1 0.874 0.000 . . . . . A 3 LEU HD13 . 18119 1 23 . 1 1 3 3 LEU HD21 H 1 0.920 0.000 . . . . . A 3 LEU HD21 . 18119 1 24 . 1 1 3 3 LEU HD22 H 1 0.920 0.000 . . . . . A 3 LEU HD22 . 18119 1 25 . 1 1 3 3 LEU HD23 H 1 0.920 0.000 . . . . . A 3 LEU HD23 . 18119 1 26 . 1 1 3 3 LEU C C 13 177.896 0.000 . 1 . . . A 3 LEU C . 18119 1 27 . 1 1 3 3 LEU CA C 13 55.428 0.000 . 1 . . . A 3 LEU CA . 18119 1 28 . 1 1 3 3 LEU CB C 13 41.933 0.000 . 1 . . . A 3 LEU CB . 18119 1 29 . 1 1 3 3 LEU CG C 13 26.809 0.000 . 1 . . . A 3 LEU CG . 18119 1 30 . 1 1 3 3 LEU CD1 C 13 23.525 0.000 . 2 . . . A 3 LEU CD1 . 18119 1 31 . 1 1 3 3 LEU CD2 C 13 24.716 0.000 . 2 . . . A 3 LEU CD2 . 18119 1 32 . 1 1 3 3 LEU N N 15 122.257 0.000 . 1 . . . A 3 LEU N . 18119 1 33 . 1 1 4 4 GLY H H 1 8.556 0.000 . 1 . . . A 4 GLY H . 18119 1 34 . 1 1 4 4 GLY HA2 H 1 4.014 0.000 . 2 . . . A 4 GLY HA2 . 18119 1 35 . 1 1 4 4 GLY HA3 H 1 3.874 0.000 . 2 . . . A 4 GLY HA3 . 18119 1 36 . 1 1 4 4 GLY C C 13 173.937 0.000 . 1 . . . A 4 GLY C . 18119 1 37 . 1 1 4 4 GLY CA C 13 45.110 0.000 . 1 . . . A 4 GLY CA . 18119 1 38 . 1 1 4 4 GLY N N 15 110.428 0.000 . 1 . . . A 4 GLY N . 18119 1 39 . 1 1 5 5 SER H H 1 8.045 0.000 . 1 . . . A 5 SER H . 18119 1 40 . 1 1 5 5 SER HA H 1 4.763 0.000 . 1 . . . A 5 SER HA . 18119 1 41 . 1 1 5 5 SER HB2 H 1 3.910 0.000 . 2 . . . A 5 SER HB2 . 18119 1 42 . 1 1 5 5 SER HB3 H 1 3.839 0.000 . 2 . . . A 5 SER HB3 . 18119 1 43 . 1 1 5 5 SER C C 13 172.943 0.000 . 1 . . . A 5 SER C . 18119 1 44 . 1 1 5 5 SER CA C 13 56.352 0.000 . 1 . . . A 5 SER CA . 18119 1 45 . 1 1 5 5 SER CB C 13 63.008 0.000 . 1 . . . A 5 SER CB . 18119 1 46 . 1 1 5 5 SER N N 15 117.126 0.000 . 1 . . . A 5 SER N . 18119 1 47 . 1 1 6 6 PRO HA H 1 4.454 0.000 . 1 . . . A 6 PRO HA . 18119 1 48 . 1 1 6 6 PRO HB2 H 1 2.282 0.000 . 2 . . . A 6 PRO HB2 . 18119 1 49 . 1 1 6 6 PRO HB3 H 1 1.945 0.000 . 2 . . . A 6 PRO HB3 . 18119 1 50 . 1 1 6 6 PRO HG2 H 1 1.946 0.000 . 2 . . . A 6 PRO HG2 . 18119 1 51 . 1 1 6 6 PRO HG3 H 1 2.025 0.000 . 2 . . . A 6 PRO HG3 . 18119 1 52 . 1 1 6 6 PRO HD2 H 1 3.757 0.000 . 2 . . . A 6 PRO HD2 . 18119 1 53 . 1 1 6 6 PRO HD3 H 1 3.815 0.000 . 2 . . . A 6 PRO HD3 . 18119 1 54 . 1 1 6 6 PRO CA C 13 63.333 0.000 . 1 . . . A 6 PRO CA . 18119 1 55 . 1 1 6 6 PRO CB C 13 31.786 0.000 . 1 . . . A 6 PRO CB . 18119 1 56 . 1 1 6 6 PRO CG C 13 26.906 0.000 . 1 . . . A 6 PRO CG . 18119 1 57 . 1 1 6 6 PRO CD C 13 50.668 0.000 . 1 . . . A 6 PRO CD . 18119 1 58 . 1 1 7 7 GLU H H 1 8.362 0.000 . 1 . . . A 7 GLU H . 18119 1 59 . 1 1 7 7 GLU HA H 1 4.255 0.000 . 1 . . . A 7 GLU HA . 18119 1 60 . 1 1 7 7 GLU HB2 H 1 2.055 0.000 . 2 . . . A 7 GLU HB2 . 18119 1 61 . 1 1 7 7 GLU HB3 H 1 1.899 0.000 . 2 . . . A 7 GLU HB3 . 18119 1 62 . 1 1 7 7 GLU HG2 H 1 2.248 0.000 . 2 . . . A 7 GLU HG2 . 18119 1 63 . 1 1 7 7 GLU HG3 H 1 2.248 0.000 . 2 . . . A 7 GLU HG3 . 18119 1 64 . 1 1 7 7 GLU C C 13 176.152 0.000 . 1 . . . A 7 GLU C . 18119 1 65 . 1 1 7 7 GLU CA C 13 56.244 0.000 . 1 . . . A 7 GLU CA . 18119 1 66 . 1 1 7 7 GLU CB C 13 29.729 0.000 . 1 . . . A 7 GLU CB . 18119 1 67 . 1 1 7 7 GLU CG C 13 36.225 0.000 . 1 . . . A 7 GLU CG . 18119 1 68 . 1 1 7 7 GLU N N 15 119.707 0.000 . 1 . . . A 7 GLU N . 18119 1 69 . 1 1 8 8 GLU H H 1 8.204 0.000 . 1 . . . A 8 GLU H . 18119 1 70 . 1 1 8 8 GLU HA H 1 4.293 0.000 . 1 . . . A 8 GLU HA . 18119 1 71 . 1 1 8 8 GLU HB2 H 1 1.953 0.000 . 2 . . . A 8 GLU HB2 . 18119 1 72 . 1 1 8 8 GLU HB3 H 1 2.043 0.000 . 2 . . . A 8 GLU HB3 . 18119 1 73 . 1 1 8 8 GLU HG2 H 1 2.223 0.000 . 2 . . . A 8 GLU HG2 . 18119 1 74 . 1 1 8 8 GLU HG3 H 1 2.223 0.000 . 2 . . . A 8 GLU HG3 . 18119 1 75 . 1 1 8 8 GLU CA C 13 56.216 0.000 . 1 . . . A 8 GLU CA . 18119 1 76 . 1 1 8 8 GLU CB C 13 30.152 0.000 . 1 . . . A 8 GLU CB . 18119 1 77 . 1 1 8 8 GLU CG C 13 36.225 0.000 . 1 . . . A 8 GLU CG . 18119 1 78 . 1 1 8 8 GLU N N 15 121.201 0.000 . 1 . . . A 8 GLU N . 18119 1 79 . 1 1 9 9 THR H H 1 8.721 0.000 . 1 . . . A 9 THR H . 18119 1 80 . 1 1 9 9 THR HA H 1 4.382 0.000 . 1 . . . A 9 THR HA . 18119 1 81 . 1 1 9 9 THR HB H 1 4.090 0.000 . 1 . . . A 9 THR HB . 18119 1 82 . 1 1 9 9 THR HG21 H 1 1.157 0.000 . . . . . A 9 THR HG21 . 18119 1 83 . 1 1 9 9 THR HG22 H 1 1.157 0.000 . . . . . A 9 THR HG22 . 18119 1 84 . 1 1 9 9 THR HG23 H 1 1.157 0.000 . . . . . A 9 THR HG23 . 18119 1 85 . 1 1 9 9 THR C C 13 172.862 0.000 . 1 . . . A 9 THR C . 18119 1 86 . 1 1 9 9 THR CA C 13 62.473 0.000 . 1 . . . A 9 THR CA . 18119 1 87 . 1 1 9 9 THR CB C 13 69.635 0.000 . 1 . . . A 9 THR CB . 18119 1 88 . 1 1 9 9 THR CG2 C 13 21.659 0.000 . 1 . . . A 9 THR CG2 . 18119 1 89 . 1 1 9 9 THR N N 15 120.092 0.000 . 1 . . . A 9 THR N . 18119 1 90 . 1 1 10 10 VAL H H 1 8.686 0.000 . 1 . . . A 10 VAL H . 18119 1 91 . 1 1 10 10 VAL HA H 1 4.788 0.000 . 1 . . . A 10 VAL HA . 18119 1 92 . 1 1 10 10 VAL HB H 1 1.947 0.000 . 1 . . . A 10 VAL HB . 18119 1 93 . 1 1 10 10 VAL HG11 H 1 0.951 0.000 . . . . . A 10 VAL HG11 . 18119 1 94 . 1 1 10 10 VAL HG12 H 1 0.951 0.000 . . . . . A 10 VAL HG12 . 18119 1 95 . 1 1 10 10 VAL HG13 H 1 0.951 0.000 . . . . . A 10 VAL HG13 . 18119 1 96 . 1 1 10 10 VAL HG21 H 1 0.951 0.000 . . . . . A 10 VAL HG21 . 18119 1 97 . 1 1 10 10 VAL HG22 H 1 0.951 0.000 . . . . . A 10 VAL HG22 . 18119 1 98 . 1 1 10 10 VAL HG23 H 1 0.951 0.000 . . . . . A 10 VAL HG23 . 18119 1 99 . 1 1 10 10 VAL C C 13 175.761 0.000 . 1 . . . A 10 VAL C . 18119 1 100 . 1 1 10 10 VAL CA C 13 61.658 0.000 . 1 . . . A 10 VAL CA . 18119 1 101 . 1 1 10 10 VAL CB C 13 32.897 0.000 . 1 . . . A 10 VAL CB . 18119 1 102 . 1 1 10 10 VAL CG1 C 13 21.897 0.000 . 2 . . . A 10 VAL CG1 . 18119 1 103 . 1 1 10 10 VAL CG2 C 13 21.897 0.000 . 2 . . . A 10 VAL CG2 . 18119 1 104 . 1 1 10 10 VAL N N 15 128.029 0.000 . 1 . . . A 10 VAL N . 18119 1 105 . 1 1 11 11 VAL H H 1 9.205 0.000 . 1 . . . A 11 VAL H . 18119 1 106 . 1 1 11 11 VAL HA H 1 5.253 0.000 . 1 . . . A 11 VAL HA . 18119 1 107 . 1 1 11 11 VAL HB H 1 2.165 0.000 . 1 . . . A 11 VAL HB . 18119 1 108 . 1 1 11 11 VAL HG11 H 1 0.951 0.000 . . . . . A 11 VAL HG11 . 18119 1 109 . 1 1 11 11 VAL HG12 H 1 0.951 0.000 . . . . . A 11 VAL HG12 . 18119 1 110 . 1 1 11 11 VAL HG13 H 1 0.951 0.000 . . . . . A 11 VAL HG13 . 18119 1 111 . 1 1 11 11 VAL HG21 H 1 0.951 0.000 . . . . . A 11 VAL HG21 . 18119 1 112 . 1 1 11 11 VAL HG22 H 1 0.951 0.000 . . . . . A 11 VAL HG22 . 18119 1 113 . 1 1 11 11 VAL HG23 H 1 0.951 0.000 . . . . . A 11 VAL HG23 . 18119 1 114 . 1 1 11 11 VAL C C 13 173.464 0.000 . 1 . . . A 11 VAL C . 18119 1 115 . 1 1 11 11 VAL CA C 13 57.635 0.000 . 1 . . . A 11 VAL CA . 18119 1 116 . 1 1 11 11 VAL CB C 13 35.021 0.000 . 1 . . . A 11 VAL CB . 18119 1 117 . 1 1 11 11 VAL CG1 C 13 22.784 0.000 . 2 . . . A 11 VAL CG1 . 18119 1 118 . 1 1 11 11 VAL CG2 C 13 20.123 0.000 . 2 . . . A 11 VAL CG2 . 18119 1 119 . 1 1 11 11 VAL N N 15 119.001 0.000 . 1 . . . A 11 VAL N . 18119 1 120 . 1 1 12 12 ILE H H 1 9.408 0.000 . 1 . . . A 12 ILE H . 18119 1 121 . 1 1 12 12 ILE HA H 1 5.075 0.000 . 1 . . . A 12 ILE HA . 18119 1 122 . 1 1 12 12 ILE HB H 1 1.598 0.000 . 1 . . . A 12 ILE HB . 18119 1 123 . 1 1 12 12 ILE HG12 H 1 1.437 0.000 . 2 . . . A 12 ILE HG12 . 18119 1 124 . 1 1 12 12 ILE HG13 H 1 1.050 0.000 . 2 . . . A 12 ILE HG13 . 18119 1 125 . 1 1 12 12 ILE HG21 H 1 0.824 0.000 . . . . . A 12 ILE HG21 . 18119 1 126 . 1 1 12 12 ILE HG22 H 1 0.824 0.000 . . . . . A 12 ILE HG22 . 18119 1 127 . 1 1 12 12 ILE HG23 H 1 0.824 0.000 . . . . . A 12 ILE HG23 . 18119 1 128 . 1 1 12 12 ILE HD11 H 1 0.823 0.000 . . . . . A 12 ILE HD11 . 18119 1 129 . 1 1 12 12 ILE HD12 H 1 0.823 0.000 . . . . . A 12 ILE HD12 . 18119 1 130 . 1 1 12 12 ILE HD13 H 1 0.823 0.000 . . . . . A 12 ILE HD13 . 18119 1 131 . 1 1 12 12 ILE C C 13 176.267 0.000 . 1 . . . A 12 ILE C . 18119 1 132 . 1 1 12 12 ILE CA C 13 58.517 0.000 . 1 . . . A 12 ILE CA . 18119 1 133 . 1 1 12 12 ILE CB C 13 40.875 0.000 . 1 . . . A 12 ILE CB . 18119 1 134 . 1 1 12 12 ILE CG1 C 13 28.174 0.000 . 1 . . . A 12 ILE CG1 . 18119 1 135 . 1 1 12 12 ILE CG2 C 13 17.596 0.000 . 1 . . . A 12 ILE CG2 . 18119 1 136 . 1 1 12 12 ILE CD1 C 13 13.709 0.000 . 1 . . . A 12 ILE CD1 . 18119 1 137 . 1 1 12 12 ILE N N 15 121.019 0.000 . 1 . . . A 12 ILE N . 18119 1 138 . 1 1 13 13 ALA H H 1 8.174 0.000 . 1 . . . A 13 ALA H . 18119 1 139 . 1 1 13 13 ALA HA H 1 4.997 0.000 . 1 . . . A 13 ALA HA . 18119 1 140 . 1 1 13 13 ALA HB1 H 1 1.699 0.000 . . . . . A 13 ALA HB1 . 18119 1 141 . 1 1 13 13 ALA HB2 H 1 1.699 0.000 . . . . . A 13 ALA HB2 . 18119 1 142 . 1 1 13 13 ALA HB3 H 1 1.699 0.000 . . . . . A 13 ALA HB3 . 18119 1 143 . 1 1 13 13 ALA CA C 13 51.284 0.000 . 1 . . . A 13 ALA CA . 18119 1 144 . 1 1 13 13 ALA CB C 13 20.026 0.000 . 1 . . . A 13 ALA CB . 18119 1 145 . 1 1 13 13 ALA N N 15 125.370 0.000 . 1 . . . A 13 ALA N . 18119 1 146 . 1 1 14 14 LEU H H 1 9.409 0.000 . 1 . . . A 14 LEU H . 18119 1 147 . 1 1 14 14 LEU HA H 1 3.891 0.000 . 1 . . . A 14 LEU HA . 18119 1 148 . 1 1 14 14 LEU HB2 H 1 0.866 0.000 . 2 . . . A 14 LEU HB2 . 18119 1 149 . 1 1 14 14 LEU HB3 H 1 0.446 0.000 . 2 . . . A 14 LEU HB3 . 18119 1 150 . 1 1 14 14 LEU HG H 1 1.207 0.000 . 1 . . . A 14 LEU HG . 18119 1 151 . 1 1 14 14 LEU HD11 H 1 0.661 0.000 . . . . . A 14 LEU HD11 . 18119 1 152 . 1 1 14 14 LEU HD12 H 1 0.661 0.000 . . . . . A 14 LEU HD12 . 18119 1 153 . 1 1 14 14 LEU HD13 H 1 0.661 0.000 . . . . . A 14 LEU HD13 . 18119 1 154 . 1 1 14 14 LEU HD21 H 1 0.656 0.000 . . . . . A 14 LEU HD21 . 18119 1 155 . 1 1 14 14 LEU HD22 H 1 0.656 0.000 . . . . . A 14 LEU HD22 . 18119 1 156 . 1 1 14 14 LEU HD23 H 1 0.656 0.000 . . . . . A 14 LEU HD23 . 18119 1 157 . 1 1 14 14 LEU C C 13 175.664 0.000 . 1 . . . A 14 LEU C . 18119 1 158 . 1 1 14 14 LEU CA C 13 55.631 0.000 . 1 . . . A 14 LEU CA . 18119 1 159 . 1 1 14 14 LEU CB C 13 43.662 0.000 . 1 . . . A 14 LEU CB . 18119 1 160 . 1 1 14 14 LEU CG C 13 26.195 0.000 . 1 . . . A 14 LEU CG . 18119 1 161 . 1 1 14 14 LEU CD1 C 13 25.103 0.000 . 2 . . . A 14 LEU CD1 . 18119 1 162 . 1 1 14 14 LEU CD2 C 13 22.511 0.000 . 2 . . . A 14 LEU CD2 . 18119 1 163 . 1 1 14 14 LEU N N 15 126.292 0.000 . 1 . . . A 14 LEU N . 18119 1 164 . 1 1 15 15 TYR H H 1 6.906 0.000 . 1 . . . A 15 TYR H . 18119 1 165 . 1 1 15 15 TYR HA H 1 4.729 0.000 . 1 . . . A 15 TYR HA . 18119 1 166 . 1 1 15 15 TYR HB2 H 1 2.334 0.000 . 2 . . . A 15 TYR HB2 . 18119 1 167 . 1 1 15 15 TYR HB3 H 1 3.216 0.000 . 2 . . . A 15 TYR HB3 . 18119 1 168 . 1 1 15 15 TYR HD1 H 1 6.528 0.000 . 3 . . . A 15 TYR HD1 . 18119 1 169 . 1 1 15 15 TYR HD2 H 1 6.528 0.000 . 3 . . . A 15 TYR HD2 . 18119 1 170 . 1 1 15 15 TYR HE1 H 1 6.578 0.000 . 3 . . . A 15 TYR HE1 . 18119 1 171 . 1 1 15 15 TYR HE2 H 1 6.578 0.000 . 3 . . . A 15 TYR HE2 . 18119 1 172 . 1 1 15 15 TYR C C 13 173.709 0.000 . 1 . . . A 15 TYR C . 18119 1 173 . 1 1 15 15 TYR CA C 13 53.305 0.000 . 1 . . . A 15 TYR CA . 18119 1 174 . 1 1 15 15 TYR CB C 13 42.243 0.000 . 1 . . . A 15 TYR CB . 18119 1 175 . 1 1 15 15 TYR CD1 C 13 133.854 0.000 . 3 . . . A 15 TYR CD1 . 18119 1 176 . 1 1 15 15 TYR CD2 C 13 133.854 0.000 . 3 . . . A 15 TYR CD2 . 18119 1 177 . 1 1 15 15 TYR CE1 C 13 117.341 0.000 . 3 . . . A 15 TYR CE1 . 18119 1 178 . 1 1 15 15 TYR CE2 C 13 117.341 0.000 . 3 . . . A 15 TYR CE2 . 18119 1 179 . 1 1 15 15 TYR N N 15 110.511 0.000 . 1 . . . A 15 TYR N . 18119 1 180 . 1 1 16 16 ASP H H 1 8.282 0.000 . 1 . . . A 16 ASP H . 18119 1 181 . 1 1 16 16 ASP HA H 1 4.438 0.000 . 1 . . . A 16 ASP HA . 18119 1 182 . 1 1 16 16 ASP HB2 H 1 2.733 0.000 . 2 . . . A 16 ASP HB2 . 18119 1 183 . 1 1 16 16 ASP HB3 H 1 2.660 0.000 . 2 . . . A 16 ASP HB3 . 18119 1 184 . 1 1 16 16 ASP C C 13 175.990 0.000 . 1 . . . A 16 ASP C . 18119 1 185 . 1 1 16 16 ASP CA C 13 54.348 0.000 . 1 . . . A 16 ASP CA . 18119 1 186 . 1 1 16 16 ASP CB C 13 39.512 0.000 . 1 . . . A 16 ASP CB . 18119 1 187 . 1 1 16 16 ASP N N 15 117.114 0.000 . 1 . . . A 16 ASP N . 18119 1 188 . 1 1 17 17 TYR H H 1 8.722 0.000 . 1 . . . A 17 TYR H . 18119 1 189 . 1 1 17 17 TYR HA H 1 4.915 0.000 . 1 . . . A 17 TYR HA . 18119 1 190 . 1 1 17 17 TYR HB2 H 1 2.960 0.000 . 2 . . . A 17 TYR HB2 . 18119 1 191 . 1 1 17 17 TYR HB3 H 1 2.670 0.000 . 2 . . . A 17 TYR HB3 . 18119 1 192 . 1 1 17 17 TYR HD1 H 1 7.167 0.000 . 3 . . . A 17 TYR HD1 . 18119 1 193 . 1 1 17 17 TYR HD2 H 1 7.167 0.000 . 3 . . . A 17 TYR HD2 . 18119 1 194 . 1 1 17 17 TYR HE1 H 1 6.846 0.000 . 3 . . . A 17 TYR HE1 . 18119 1 195 . 1 1 17 17 TYR HE2 H 1 6.846 0.000 . 3 . . . A 17 TYR HE2 . 18119 1 196 . 1 1 17 17 TYR C C 13 173.775 0.000 . 1 . . . A 17 TYR C . 18119 1 197 . 1 1 17 17 TYR CA C 13 57.555 0.000 . 1 . . . A 17 TYR CA . 18119 1 198 . 1 1 17 17 TYR CB C 13 42.072 0.000 . 1 . . . A 17 TYR CB . 18119 1 199 . 1 1 17 17 TYR CD1 C 13 132.870 0.000 . 3 . . . A 17 TYR CD1 . 18119 1 200 . 1 1 17 17 TYR CD2 C 13 132.870 0.000 . 3 . . . A 17 TYR CD2 . 18119 1 201 . 1 1 17 17 TYR CE1 C 13 117.669 0.000 . 3 . . . A 17 TYR CE1 . 18119 1 202 . 1 1 17 17 TYR CE2 C 13 117.669 0.000 . 3 . . . A 17 TYR CE2 . 18119 1 203 . 1 1 17 17 TYR N N 15 121.848 0.000 . 1 . . . A 17 TYR N . 18119 1 204 . 1 1 18 18 GLN H H 1 7.966 0.000 . 1 . . . A 18 GLN H . 18119 1 205 . 1 1 18 18 GLN HA H 1 4.512 0.000 . 1 . . . A 18 GLN HA . 18119 1 206 . 1 1 18 18 GLN HB2 H 1 1.885 0.000 . 2 . . . A 18 GLN HB2 . 18119 1 207 . 1 1 18 18 GLN HB3 H 1 1.832 0.000 . 2 . . . A 18 GLN HB3 . 18119 1 208 . 1 1 18 18 GLN HG2 H 1 2.257 0.000 . 2 . . . A 18 GLN HG2 . 18119 1 209 . 1 1 18 18 GLN HG3 H 1 2.257 0.000 . 2 . . . A 18 GLN HG3 . 18119 1 210 . 1 1 18 18 GLN HE21 H 1 6.807 0.000 . 2 . . . A 18 GLN HE21 . 18119 1 211 . 1 1 18 18 GLN HE22 H 1 7.788 0.000 . 2 . . . A 18 GLN HE22 . 18119 1 212 . 1 1 18 18 GLN C C 13 173.896 0.000 . 1 . . . A 18 GLN C . 18119 1 213 . 1 1 18 18 GLN CA C 13 54.011 0.000 . 1 . . . A 18 GLN CA . 18119 1 214 . 1 1 18 18 GLN CB C 13 29.729 0.000 . 1 . . . A 18 GLN CB . 18119 1 215 . 1 1 18 18 GLN CG C 13 33.366 0.000 . 1 . . . A 18 GLN CG . 18119 1 216 . 1 1 18 18 GLN N N 15 126.102 0.000 . 1 . . . A 18 GLN N . 18119 1 217 . 1 1 18 18 GLN NE2 N 15 111.915 0.000 . 1 . . . A 18 GLN NE2 . 18119 1 218 . 1 1 19 19 THR H H 1 7.959 0.000 . 1 . . . A 19 THR H . 18119 1 219 . 1 1 19 19 THR HA H 1 4.333 0.000 . 1 . . . A 19 THR HA . 18119 1 220 . 1 1 19 19 THR HB H 1 4.014 0.000 . 1 . . . A 19 THR HB . 18119 1 221 . 1 1 19 19 THR HG21 H 1 0.951 0.000 . . . . . A 19 THR HG21 . 18119 1 222 . 1 1 19 19 THR HG22 H 1 0.951 0.000 . . . . . A 19 THR HG22 . 18119 1 223 . 1 1 19 19 THR HG23 H 1 0.951 0.000 . . . . . A 19 THR HG23 . 18119 1 224 . 1 1 19 19 THR CA C 13 59.704 0.000 . 1 . . . A 19 THR CA . 18119 1 225 . 1 1 19 19 THR CB C 13 68.914 0.000 . 1 . . . A 19 THR CB . 18119 1 226 . 1 1 19 19 THR CG2 C 13 19.645 0.000 . 1 . . . A 19 THR CG2 . 18119 1 227 . 1 1 19 19 THR N N 15 114.963 0.000 . 1 . . . A 19 THR N . 18119 1 228 . 1 1 20 20 ASN H H 1 8.707 0.000 . 1 . . . A 20 ASN H . 18119 1 229 . 1 1 20 20 ASN HA H 1 4.909 0.000 . 1 . . . A 20 ASN HA . 18119 1 230 . 1 1 20 20 ASN HB2 H 1 2.670 0.000 . 2 . . . A 20 ASN HB2 . 18119 1 231 . 1 1 20 20 ASN HB3 H 1 2.883 0.000 . 2 . . . A 20 ASN HB3 . 18119 1 232 . 1 1 20 20 ASN HD21 H 1 6.837 0.000 . 2 . . . A 20 ASN HD21 . 18119 1 233 . 1 1 20 20 ASN HD22 H 1 7.581 0.000 . 2 . . . A 20 ASN HD22 . 18119 1 234 . 1 1 20 20 ASN CA C 13 52.183 0.000 . 1 . . . A 20 ASN CA . 18119 1 235 . 1 1 20 20 ASN CB C 13 39.673 0.000 . 1 . . . A 20 ASN CB . 18119 1 236 . 1 1 20 20 ASN N N 15 121.557 0.000 . 1 . . . A 20 ASN N . 18119 1 237 . 1 1 20 20 ASN ND2 N 15 112.945 0.000 . 1 . . . A 20 ASN ND2 . 18119 1 238 . 1 1 21 21 ASP H H 1 8.337 0.000 . 1 . . . A 21 ASP H . 18119 1 239 . 1 1 21 21 ASP HA H 1 4.859 0.000 . 1 . . . A 21 ASP HA . 18119 1 240 . 1 1 21 21 ASP HB2 H 1 2.569 0.000 . 2 . . . A 21 ASP HB2 . 18119 1 241 . 1 1 21 21 ASP HB3 H 1 2.429 0.000 . 2 . . . A 21 ASP HB3 . 18119 1 242 . 1 1 21 21 ASP C C 13 176.104 0.000 . 1 . . . A 21 ASP C . 18119 1 243 . 1 1 21 21 ASP CA C 13 51.806 0.000 . 1 . . . A 21 ASP CA . 18119 1 244 . 1 1 21 21 ASP CB C 13 42.907 0.000 . 1 . . . A 21 ASP CB . 18119 1 245 . 1 1 21 21 ASP N N 15 124.744 0.000 . 1 . . . A 21 ASP N . 18119 1 246 . 1 1 22 22 PRO HA H 1 4.498 0.000 . 1 . . . A 22 PRO HA . 18119 1 247 . 1 1 22 22 PRO HB2 H 1 2.034 0.000 . 2 . . . A 22 PRO HB2 . 18119 1 248 . 1 1 22 22 PRO HB3 H 1 2.388 0.000 . 2 . . . A 22 PRO HB3 . 18119 1 249 . 1 1 22 22 PRO HG2 H 1 2.034 0.000 . 2 . . . A 22 PRO HG2 . 18119 1 250 . 1 1 22 22 PRO HG3 H 1 2.034 0.000 . 2 . . . A 22 PRO HG3 . 18119 1 251 . 1 1 22 22 PRO HD2 H 1 3.966 0.000 . 2 . . . A 22 PRO HD2 . 18119 1 252 . 1 1 22 22 PRO HD3 H 1 3.824 0.000 . 2 . . . A 22 PRO HD3 . 18119 1 253 . 1 1 22 22 PRO CA C 13 64.412 0.000 . 1 . . . A 22 PRO CA . 18119 1 254 . 1 1 22 22 PRO CB C 13 32.198 0.000 . 1 . . . A 22 PRO CB . 18119 1 255 . 1 1 22 22 PRO CG C 13 26.906 0.000 . 1 . . . A 22 PRO CG . 18119 1 256 . 1 1 22 22 PRO CD C 13 51.168 0.000 . 1 . . . A 22 PRO CD . 18119 1 257 . 1 1 23 23 GLN H H 1 8.906 0.000 . 1 . . . A 23 GLN H . 18119 1 258 . 1 1 23 23 GLN HA H 1 4.564 0.000 . 1 . . . A 23 GLN HA . 18119 1 259 . 1 1 23 23 GLN HB2 H 1 2.312 0.000 . 2 . . . A 23 GLN HB2 . 18119 1 260 . 1 1 23 23 GLN HB3 H 1 2.139 0.000 . 2 . . . A 23 GLN HB3 . 18119 1 261 . 1 1 23 23 GLN HG2 H 1 2.406 0.000 . 2 . . . A 23 GLN HG2 . 18119 1 262 . 1 1 23 23 GLN HG3 H 1 2.406 0.000 . 2 . . . A 23 GLN HG3 . 18119 1 263 . 1 1 23 23 GLN HE21 H 1 6.730 0.000 . 2 . . . A 23 GLN HE21 . 18119 1 264 . 1 1 23 23 GLN CA C 13 55.894 0.000 . 1 . . . A 23 GLN CA . 18119 1 265 . 1 1 23 23 GLN CB C 13 29.403 0.000 . 1 . . . A 23 GLN CB . 18119 1 266 . 1 1 23 23 GLN CG C 13 34.451 0.000 . 1 . . . A 23 GLN CG . 18119 1 267 . 1 1 23 23 GLN N N 15 116.081 0.000 . 1 . . . A 23 GLN N . 18119 1 268 . 1 1 24 24 GLU H H 1 7.892 0.000 . 1 . . . A 24 GLU H . 18119 1 269 . 1 1 24 24 GLU HA H 1 5.357 0.000 . 1 . . . A 24 GLU HA . 18119 1 270 . 1 1 24 24 GLU HB2 H 1 2.264 0.000 . 2 . . . A 24 GLU HB2 . 18119 1 271 . 1 1 24 24 GLU HB3 H 1 2.418 0.000 . 2 . . . A 24 GLU HB3 . 18119 1 272 . 1 1 24 24 GLU HG2 H 1 2.211 0.000 . 2 . . . A 24 GLU HG2 . 18119 1 273 . 1 1 24 24 GLU HG3 H 1 2.211 0.000 . 2 . . . A 24 GLU HG3 . 18119 1 274 . 1 1 24 24 GLU C C 13 174.507 0.000 . 1 . . . A 24 GLU C . 18119 1 275 . 1 1 24 24 GLU CA C 13 55.002 0.000 . 1 . . . A 24 GLU CA . 18119 1 276 . 1 1 24 24 GLU CB C 13 33.242 0.000 . 1 . . . A 24 GLU CB . 18119 1 277 . 1 1 24 24 GLU CG C 13 36.528 0.000 . 1 . . . A 24 GLU CG . 18119 1 278 . 1 1 24 24 GLU N N 15 120.362 0.000 . 1 . . . A 24 GLU N . 18119 1 279 . 1 1 25 25 LEU H H 1 7.556 0.000 . 1 . . . A 25 LEU H . 18119 1 280 . 1 1 25 25 LEU HA H 1 4.397 0.000 . 1 . . . A 25 LEU HA . 18119 1 281 . 1 1 25 25 LEU HB2 H 1 0.696 0.000 . 2 . . . A 25 LEU HB2 . 18119 1 282 . 1 1 25 25 LEU HB3 H 1 1.343 0.000 . 2 . . . A 25 LEU HB3 . 18119 1 283 . 1 1 25 25 LEU HG H 1 1.785 0.000 . 1 . . . A 25 LEU HG . 18119 1 284 . 1 1 25 25 LEU HD11 H 1 0.809 0.000 . . . . . A 25 LEU HD11 . 18119 1 285 . 1 1 25 25 LEU HD12 H 1 0.809 0.000 . . . . . A 25 LEU HD12 . 18119 1 286 . 1 1 25 25 LEU HD13 H 1 0.809 0.000 . . . . . A 25 LEU HD13 . 18119 1 287 . 1 1 25 25 LEU HD21 H 1 0.801 0.000 . . . . . A 25 LEU HD21 . 18119 1 288 . 1 1 25 25 LEU HD22 H 1 0.801 0.000 . . . . . A 25 LEU HD22 . 18119 1 289 . 1 1 25 25 LEU HD23 H 1 0.801 0.000 . . . . . A 25 LEU HD23 . 18119 1 290 . 1 1 25 25 LEU CA C 13 53.209 0.000 . 1 . . . A 25 LEU CA . 18119 1 291 . 1 1 25 25 LEU CB C 13 45.446 0.000 . 1 . . . A 25 LEU CB . 18119 1 292 . 1 1 25 25 LEU CG C 13 26.356 0.000 . 1 . . . A 25 LEU CG . 18119 1 293 . 1 1 25 25 LEU CD1 C 13 24.665 0.000 . 2 . . . A 25 LEU CD1 . 18119 1 294 . 1 1 25 25 LEU CD2 C 13 24.431 0.000 . 2 . . . A 25 LEU CD2 . 18119 1 295 . 1 1 25 25 LEU N N 15 121.981 0.000 . 1 . . . A 25 LEU N . 18119 1 296 . 1 1 26 26 ALA H H 1 7.822 0.000 . 1 . . . A 26 ALA H . 18119 1 297 . 1 1 26 26 ALA HA H 1 4.579 0.000 . 1 . . . A 26 ALA HA . 18119 1 298 . 1 1 26 26 ALA HB1 H 1 1.445 0.000 . . . . . A 26 ALA HB1 . 18119 1 299 . 1 1 26 26 ALA HB2 H 1 1.445 0.000 . . . . . A 26 ALA HB2 . 18119 1 300 . 1 1 26 26 ALA HB3 H 1 1.445 0.000 . . . . . A 26 ALA HB3 . 18119 1 301 . 1 1 26 26 ALA CA C 13 51.605 0.000 . 1 . . . A 26 ALA CA . 18119 1 302 . 1 1 26 26 ALA CB C 13 19.224 0.000 . 1 . . . A 26 ALA CB . 18119 1 303 . 1 1 26 26 ALA N N 15 124.532 0.000 . 1 . . . A 26 ALA N . 18119 1 304 . 1 1 27 27 LEU H H 1 8.665 0.000 . 1 . . . A 27 LEU H . 18119 1 305 . 1 1 27 27 LEU HA H 1 5.016 0.000 . 1 . . . A 27 LEU HA . 18119 1 306 . 1 1 27 27 LEU HB2 H 1 2.035 0.000 . 2 . . . A 27 LEU HB2 . 18119 1 307 . 1 1 27 27 LEU HB3 H 1 1.293 0.000 . 2 . . . A 27 LEU HB3 . 18119 1 308 . 1 1 27 27 LEU HG H 1 1.670 0.000 . 1 . . . A 27 LEU HG . 18119 1 309 . 1 1 27 27 LEU HD11 H 1 0.110 0.000 . . . . . A 27 LEU HD11 . 18119 1 310 . 1 1 27 27 LEU HD12 H 1 0.110 0.000 . . . . . A 27 LEU HD12 . 18119 1 311 . 1 1 27 27 LEU HD13 H 1 0.110 0.000 . . . . . A 27 LEU HD13 . 18119 1 312 . 1 1 27 27 LEU HD21 H 1 0.118 0.000 . . . . . A 27 LEU HD21 . 18119 1 313 . 1 1 27 27 LEU HD22 H 1 0.118 0.000 . . . . . A 27 LEU HD22 . 18119 1 314 . 1 1 27 27 LEU HD23 H 1 0.118 0.000 . . . . . A 27 LEU HD23 . 18119 1 315 . 1 1 27 27 LEU CA C 13 52.773 0.000 . 1 . . . A 27 LEU CA . 18119 1 316 . 1 1 27 27 LEU CB C 13 45.090 0.000 . 1 . . . A 27 LEU CB . 18119 1 317 . 1 1 27 27 LEU CG C 13 25.600 0.000 . 1 . . . A 27 LEU CG . 18119 1 318 . 1 1 27 27 LEU CD1 C 13 21.957 0.000 . 2 . . . A 27 LEU CD1 . 18119 1 319 . 1 1 27 27 LEU CD2 C 13 21.957 0.000 . 2 . . . A 27 LEU CD2 . 18119 1 320 . 1 1 27 27 LEU N N 15 116.990 0.000 . 1 . . . A 27 LEU N . 18119 1 321 . 1 1 28 28 ARG H H 1 8.317 0.000 . 1 . . . A 28 ARG H . 18119 1 322 . 1 1 28 28 ARG HA H 1 4.977 0.000 . 1 . . . A 28 ARG HA . 18119 1 323 . 1 1 28 28 ARG HB2 H 1 1.823 0.000 . 2 . . . A 28 ARG HB2 . 18119 1 324 . 1 1 28 28 ARG HB3 H 1 1.702 0.000 . 2 . . . A 28 ARG HB3 . 18119 1 325 . 1 1 28 28 ARG HG2 H 1 1.643 0.000 . 2 . . . A 28 ARG HG2 . 18119 1 326 . 1 1 28 28 ARG HG3 H 1 1.688 0.000 . 2 . . . A 28 ARG HG3 . 18119 1 327 . 1 1 28 28 ARG HD2 H 1 3.291 0.000 . 2 . . . A 28 ARG HD2 . 18119 1 328 . 1 1 28 28 ARG HD3 H 1 3.291 0.000 . 2 . . . A 28 ARG HD3 . 18119 1 329 . 1 1 28 28 ARG C C 13 174.617 0.000 . 1 . . . A 28 ARG C . 18119 1 330 . 1 1 28 28 ARG CA C 13 53.546 0.000 . 1 . . . A 28 ARG CA . 18119 1 331 . 1 1 28 28 ARG CB C 13 32.304 0.000 . 1 . . . A 28 ARG CB . 18119 1 332 . 1 1 28 28 ARG CG C 13 27.112 0.000 . 1 . . . A 28 ARG CG . 18119 1 333 . 1 1 28 28 ARG CD C 13 43.135 0.000 . 1 . . . A 28 ARG CD . 18119 1 334 . 1 1 28 28 ARG N N 15 123.396 0.000 . 1 . . . A 28 ARG N . 18119 1 335 . 1 1 29 29 ARG H H 1 8.893 0.000 . 1 . . . A 29 ARG H . 18119 1 336 . 1 1 29 29 ARG HA H 1 3.355 0.000 . 1 . . . A 29 ARG HA . 18119 1 337 . 1 1 29 29 ARG HB2 H 1 1.661 0.000 . 2 . . . A 29 ARG HB2 . 18119 1 338 . 1 1 29 29 ARG HB3 H 1 1.541 0.000 . 2 . . . A 29 ARG HB3 . 18119 1 339 . 1 1 29 29 ARG HG2 H 1 1.399 0.000 . 2 . . . A 29 ARG HG2 . 18119 1 340 . 1 1 29 29 ARG HG3 H 1 1.399 0.000 . 2 . . . A 29 ARG HG3 . 18119 1 341 . 1 1 29 29 ARG HD2 H 1 3.268 0.000 . 2 . . . A 29 ARG HD2 . 18119 1 342 . 1 1 29 29 ARG HD3 H 1 3.204 0.000 . 2 . . . A 29 ARG HD3 . 18119 1 343 . 1 1 29 29 ARG C C 13 176.348 0.000 . 1 . . . A 29 ARG C . 18119 1 344 . 1 1 29 29 ARG CA C 13 57.956 0.000 . 1 . . . A 29 ARG CA . 18119 1 345 . 1 1 29 29 ARG CB C 13 30.210 0.000 . 1 . . . A 29 ARG CB . 18119 1 346 . 1 1 29 29 ARG CG C 13 26.536 0.000 . 1 . . . A 29 ARG CG . 18119 1 347 . 1 1 29 29 ARG CD C 13 43.662 0.000 . 1 . . . A 29 ARG CD . 18119 1 348 . 1 1 29 29 ARG N N 15 123.761 0.000 . 1 . . . A 29 ARG N . 18119 1 349 . 1 1 30 30 ASN H H 1 9.223 0.000 . 1 . . . A 30 ASN H . 18119 1 350 . 1 1 30 30 ASN HA H 1 4.222 0.000 . 1 . . . A 30 ASN HA . 18119 1 351 . 1 1 30 30 ASN HB2 H 1 3.010 0.000 . 2 . . . A 30 ASN HB2 . 18119 1 352 . 1 1 30 30 ASN HB3 H 1 3.319 0.000 . 2 . . . A 30 ASN HB3 . 18119 1 353 . 1 1 30 30 ASN HD21 H 1 6.756 0.000 . 2 . . . A 30 ASN HD21 . 18119 1 354 . 1 1 30 30 ASN HD22 H 1 7.534 0.000 . 2 . . . A 30 ASN HD22 . 18119 1 355 . 1 1 30 30 ASN CA C 13 55.647 0.000 . 1 . . . A 30 ASN CA . 18119 1 356 . 1 1 30 30 ASN CB C 13 37.437 0.000 . 1 . . . A 30 ASN CB . 18119 1 357 . 1 1 30 30 ASN N N 15 117.450 0.000 . 1 . . . A 30 ASN N . 18119 1 358 . 1 1 30 30 ASN ND2 N 15 111.888 0.000 . 1 . . . A 30 ASN ND2 . 18119 1 359 . 1 1 31 31 GLU H H 1 8.396 0.000 . 1 . . . A 31 GLU H . 18119 1 360 . 1 1 31 31 GLU HA H 1 4.394 0.000 . 1 . . . A 31 GLU HA . 18119 1 361 . 1 1 31 31 GLU HB2 H 1 2.286 0.000 . 2 . . . A 31 GLU HB2 . 18119 1 362 . 1 1 31 31 GLU HB3 H 1 2.286 0.000 . 2 . . . A 31 GLU HB3 . 18119 1 363 . 1 1 31 31 GLU HG2 H 1 2.069 0.000 . 2 . . . A 31 GLU HG2 . 18119 1 364 . 1 1 31 31 GLU HG3 H 1 2.254 0.000 . 2 . . . A 31 GLU HG3 . 18119 1 365 . 1 1 31 31 GLU CA C 13 56.585 0.000 . 1 . . . A 31 GLU CA . 18119 1 366 . 1 1 31 31 GLU CB C 13 29.606 0.000 . 1 . . . A 31 GLU CB . 18119 1 367 . 1 1 31 31 GLU CG C 13 36.940 0.000 . 1 . . . A 31 GLU CG . 18119 1 368 . 1 1 31 31 GLU N N 15 122.520 0.000 . 1 . . . A 31 GLU N . 18119 1 369 . 1 1 32 32 GLU H H 1 7.914 0.000 . 1 . . . A 32 GLU H . 18119 1 370 . 1 1 32 32 GLU HA H 1 5.023 0.000 . 1 . . . A 32 GLU HA . 18119 1 371 . 1 1 32 32 GLU HB2 H 1 1.763 0.000 . 2 . . . A 32 GLU HB2 . 18119 1 372 . 1 1 32 32 GLU HB3 H 1 1.763 0.000 . 2 . . . A 32 GLU HB3 . 18119 1 373 . 1 1 32 32 GLU HG2 H 1 2.007 0.000 . 2 . . . A 32 GLU HG2 . 18119 1 374 . 1 1 32 32 GLU HG3 H 1 2.299 0.000 . 2 . . . A 32 GLU HG3 . 18119 1 375 . 1 1 32 32 GLU C C 13 175.566 0.000 . 1 . . . A 32 GLU C . 18119 1 376 . 1 1 32 32 GLU CA C 13 54.853 0.000 . 1 . . . A 32 GLU CA . 18119 1 377 . 1 1 32 32 GLU CB C 13 31.733 0.000 . 1 . . . A 32 GLU CB . 18119 1 378 . 1 1 32 32 GLU CG C 13 36.597 0.000 . 1 . . . A 32 GLU CG . 18119 1 379 . 1 1 32 32 GLU N N 15 118.984 0.000 . 1 . . . A 32 GLU N . 18119 1 380 . 1 1 33 33 TYR H H 1 9.329 0.000 . 1 . . . A 33 TYR H . 18119 1 381 . 1 1 33 33 TYR HA H 1 4.674 0.000 . 1 . . . A 33 TYR HA . 18119 1 382 . 1 1 33 33 TYR HB2 H 1 2.429 0.000 . 2 . . . A 33 TYR HB2 . 18119 1 383 . 1 1 33 33 TYR HB3 H 1 2.771 0.000 . 2 . . . A 33 TYR HB3 . 18119 1 384 . 1 1 33 33 TYR HD1 H 1 6.799 0.000 . 3 . . . A 33 TYR HD1 . 18119 1 385 . 1 1 33 33 TYR HD2 H 1 6.799 0.000 . 3 . . . A 33 TYR HD2 . 18119 1 386 . 1 1 33 33 TYR HE1 H 1 6.919 0.000 . 3 . . . A 33 TYR HE1 . 18119 1 387 . 1 1 33 33 TYR HE2 H 1 6.919 0.000 . 3 . . . A 33 TYR HE2 . 18119 1 388 . 1 1 33 33 TYR C C 13 174.198 0.000 . 1 . . . A 33 TYR C . 18119 1 389 . 1 1 33 33 TYR CA C 13 56.432 0.000 . 1 . . . A 33 TYR CA . 18119 1 390 . 1 1 33 33 TYR CB C 13 41.998 0.000 . 1 . . . A 33 TYR CB . 18119 1 391 . 1 1 33 33 TYR CD1 C 13 132.614 0.000 . 3 . . . A 33 TYR CD1 . 18119 1 392 . 1 1 33 33 TYR CD2 C 13 132.614 0.000 . 3 . . . A 33 TYR CD2 . 18119 1 393 . 1 1 33 33 TYR CE1 C 13 119.410 0.000 . 3 . . . A 33 TYR CE1 . 18119 1 394 . 1 1 33 33 TYR CE2 C 13 119.410 0.000 . 3 . . . A 33 TYR CE2 . 18119 1 395 . 1 1 33 33 TYR N N 15 118.809 0.000 . 1 . . . A 33 TYR N . 18119 1 396 . 1 1 34 34 CYS H H 1 9.087 0.000 . 1 . . . A 34 CYS H . 18119 1 397 . 1 1 34 34 CYS HA H 1 4.940 0.000 . 1 . . . A 34 CYS HA . 18119 1 398 . 1 1 34 34 CYS HB2 H 1 2.859 0.000 . 2 . . . A 34 CYS HB2 . 18119 1 399 . 1 1 34 34 CYS HB3 H 1 2.888 0.000 . 2 . . . A 34 CYS HB3 . 18119 1 400 . 1 1 34 34 CYS C C 13 174.931 0.000 . 1 . . . A 34 CYS C . 18119 1 401 . 1 1 34 34 CYS CA C 13 57.934 0.000 . 1 . . . A 34 CYS CA . 18119 1 402 . 1 1 34 34 CYS CB C 13 28.335 0.000 . 1 . . . A 34 CYS CB . 18119 1 403 . 1 1 34 34 CYS N N 15 119.825 0.000 . 1 . . . A 34 CYS N . 18119 1 404 . 1 1 35 35 LEU H H 1 8.936 0.000 . 1 . . . A 35 LEU H . 18119 1 405 . 1 1 35 35 LEU HA H 1 4.321 0.000 . 1 . . . A 35 LEU HA . 18119 1 406 . 1 1 35 35 LEU HB2 H 1 1.159 0.000 . 2 . . . A 35 LEU HB2 . 18119 1 407 . 1 1 35 35 LEU HB3 H 1 1.881 0.000 . 2 . . . A 35 LEU HB3 . 18119 1 408 . 1 1 35 35 LEU HG H 1 1.177 0.000 . 1 . . . A 35 LEU HG . 18119 1 409 . 1 1 35 35 LEU HD11 H 1 0.425 0.000 . . . . . A 35 LEU HD11 . 18119 1 410 . 1 1 35 35 LEU HD12 H 1 0.425 0.000 . . . . . A 35 LEU HD12 . 18119 1 411 . 1 1 35 35 LEU HD13 H 1 0.425 0.000 . . . . . A 35 LEU HD13 . 18119 1 412 . 1 1 35 35 LEU HD21 H 1 0.637 0.000 . . . . . A 35 LEU HD21 . 18119 1 413 . 1 1 35 35 LEU HD22 H 1 0.637 0.000 . . . . . A 35 LEU HD22 . 18119 1 414 . 1 1 35 35 LEU HD23 H 1 0.637 0.000 . . . . . A 35 LEU HD23 . 18119 1 415 . 1 1 35 35 LEU CA C 13 55.429 0.000 . 1 . . . A 35 LEU CA . 18119 1 416 . 1 1 35 35 LEU CB C 13 42.920 0.000 . 1 . . . A 35 LEU CB . 18119 1 417 . 1 1 35 35 LEU CG C 13 26.589 0.000 . 1 . . . A 35 LEU CG . 18119 1 418 . 1 1 35 35 LEU CD1 C 13 25.342 0.000 . 2 . . . A 35 LEU CD1 . 18119 1 419 . 1 1 35 35 LEU CD2 C 13 24.200 0.000 . 2 . . . A 35 LEU CD2 . 18119 1 420 . 1 1 35 35 LEU N N 15 128.148 0.000 . 1 . . . A 35 LEU N . 18119 1 421 . 1 1 36 36 LEU H H 1 8.853 0.000 . 1 . . . A 36 LEU H . 18119 1 422 . 1 1 36 36 LEU HA H 1 4.532 0.000 . 1 . . . A 36 LEU HA . 18119 1 423 . 1 1 36 36 LEU HB2 H 1 1.426 0.000 . 2 . . . A 36 LEU HB2 . 18119 1 424 . 1 1 36 36 LEU HB3 H 1 1.254 0.000 . 2 . . . A 36 LEU HB3 . 18119 1 425 . 1 1 36 36 LEU HG H 1 1.502 0.000 . 1 . . . A 36 LEU HG . 18119 1 426 . 1 1 36 36 LEU HD11 H 1 0.733 0.000 . . . . . A 36 LEU HD11 . 18119 1 427 . 1 1 36 36 LEU HD12 H 1 0.733 0.000 . . . . . A 36 LEU HD12 . 18119 1 428 . 1 1 36 36 LEU HD13 H 1 0.733 0.000 . . . . . A 36 LEU HD13 . 18119 1 429 . 1 1 36 36 LEU HD21 H 1 0.733 0.000 . . . . . A 36 LEU HD21 . 18119 1 430 . 1 1 36 36 LEU HD22 H 1 0.733 0.000 . . . . . A 36 LEU HD22 . 18119 1 431 . 1 1 36 36 LEU HD23 H 1 0.733 0.000 . . . . . A 36 LEU HD23 . 18119 1 432 . 1 1 36 36 LEU C C 13 177.391 0.000 . 1 . . . A 36 LEU C . 18119 1 433 . 1 1 36 36 LEU CA C 13 55.300 0.000 . 1 . . . A 36 LEU CA . 18119 1 434 . 1 1 36 36 LEU CB C 13 42.714 0.000 . 1 . . . A 36 LEU CB . 18119 1 435 . 1 1 36 36 LEU CG C 13 25.943 0.000 . 1 . . . A 36 LEU CG . 18119 1 436 . 1 1 36 36 LEU CD1 C 13 21.888 0.000 . 2 . . . A 36 LEU CD1 . 18119 1 437 . 1 1 36 36 LEU N N 15 126.934 0.000 . 1 . . . A 36 LEU N . 18119 1 438 . 1 1 37 37 ASP H H 1 7.532 0.000 . 1 . . . A 37 ASP H . 18119 1 439 . 1 1 37 37 ASP HA H 1 4.750 0.000 . 1 . . . A 37 ASP HA . 18119 1 440 . 1 1 37 37 ASP HB2 H 1 2.674 0.000 . 2 . . . A 37 ASP HB2 . 18119 1 441 . 1 1 37 37 ASP HB3 H 1 2.674 0.000 . 2 . . . A 37 ASP HB3 . 18119 1 442 . 1 1 37 37 ASP C C 13 175.028 0.000 . 1 . . . A 37 ASP C . 18119 1 443 . 1 1 37 37 ASP CA C 13 54.452 0.000 . 1 . . . A 37 ASP CA . 18119 1 444 . 1 1 37 37 ASP CB C 13 43.405 0.000 . 1 . . . A 37 ASP CB . 18119 1 445 . 1 1 37 37 ASP N N 15 115.232 0.000 . 1 . . . A 37 ASP N . 18119 1 446 . 1 1 38 38 SER H H 1 8.947 0.000 . 1 . . . A 38 SER H . 18119 1 447 . 1 1 38 38 SER HA H 1 4.063 0.000 . 1 . . . A 38 SER HA . 18119 1 448 . 1 1 38 38 SER HB2 H 1 2.993 0.000 . 2 . . . A 38 SER HB2 . 18119 1 449 . 1 1 38 38 SER HB3 H 1 2.111 0.000 . 2 . . . A 38 SER HB3 . 18119 1 450 . 1 1 38 38 SER C C 13 173.969 0.000 . 1 . . . A 38 SER C . 18119 1 451 . 1 1 38 38 SER CA C 13 56.644 0.000 . 1 . . . A 38 SER CA . 18119 1 452 . 1 1 38 38 SER CB C 13 62.046 0.000 . 1 . . . A 38 SER CB . 18119 1 453 . 1 1 38 38 SER N N 15 123.573 0.000 . 1 . . . A 38 SER N . 18119 1 454 . 1 1 39 39 SER H H 1 8.554 0.000 . 1 . . . A 39 SER H . 18119 1 455 . 1 1 39 39 SER HA H 1 4.063 0.000 . 1 . . . A 39 SER HA . 18119 1 456 . 1 1 39 39 SER HB2 H 1 3.976 0.000 . 2 . . . A 39 SER HB2 . 18119 1 457 . 1 1 39 39 SER HB3 H 1 3.976 0.000 . 2 . . . A 39 SER HB3 . 18119 1 458 . 1 1 39 39 SER C C 13 175.322 0.000 . 1 . . . A 39 SER C . 18119 1 459 . 1 1 39 39 SER CA C 13 61.512 0.000 . 1 . . . A 39 SER CA . 18119 1 460 . 1 1 39 39 SER CB C 13 63.154 0.000 . 1 . . . A 39 SER CB . 18119 1 461 . 1 1 39 39 SER N N 15 118.573 0.000 . 1 . . . A 39 SER N . 18119 1 462 . 1 1 40 40 GLU H H 1 8.791 0.000 . 1 . . . A 40 GLU H . 18119 1 463 . 1 1 40 40 GLU HA H 1 4.706 0.000 . 1 . . . A 40 GLU HA . 18119 1 464 . 1 1 40 40 GLU HB2 H 1 2.420 0.000 . 2 . . . A 40 GLU HB2 . 18119 1 465 . 1 1 40 40 GLU HB3 H 1 2.611 0.000 . 2 . . . A 40 GLU HB3 . 18119 1 466 . 1 1 40 40 GLU HG2 H 1 2.557 0.000 . 2 . . . A 40 GLU HG2 . 18119 1 467 . 1 1 40 40 GLU HG3 H 1 2.438 0.000 . 2 . . . A 40 GLU HG3 . 18119 1 468 . 1 1 40 40 GLU C C 13 176.625 0.000 . 1 . . . A 40 GLU C . 18119 1 469 . 1 1 40 40 GLU CA C 13 55.230 0.000 . 1 . . . A 40 GLU CA . 18119 1 470 . 1 1 40 40 GLU CB C 13 29.889 0.000 . 1 . . . A 40 GLU CB . 18119 1 471 . 1 1 40 40 GLU CG C 13 36.624 0.000 . 1 . . . A 40 GLU CG . 18119 1 472 . 1 1 40 40 GLU N N 15 124.126 0.000 . 1 . . . A 40 GLU N . 18119 1 473 . 1 1 41 41 ILE H H 1 8.193 0.000 . 1 . . . A 41 ILE H . 18119 1 474 . 1 1 41 41 ILE HA H 1 4.008 0.000 . 1 . . . A 41 ILE HA . 18119 1 475 . 1 1 41 41 ILE HB H 1 1.629 0.000 . 1 . . . A 41 ILE HB . 18119 1 476 . 1 1 41 41 ILE HG12 H 1 1.369 0.000 . 2 . . . A 41 ILE HG12 . 18119 1 477 . 1 1 41 41 ILE HG13 H 1 1.141 0.000 . 2 . . . A 41 ILE HG13 . 18119 1 478 . 1 1 41 41 ILE HG21 H 1 0.509 0.000 . . . . . A 41 ILE HG21 . 18119 1 479 . 1 1 41 41 ILE HG22 H 1 0.509 0.000 . . . . . A 41 ILE HG22 . 18119 1 480 . 1 1 41 41 ILE HG23 H 1 0.509 0.000 . . . . . A 41 ILE HG23 . 18119 1 481 . 1 1 41 41 ILE HD11 H 1 0.858 0.000 . . . . . A 41 ILE HD11 . 18119 1 482 . 1 1 41 41 ILE HD12 H 1 0.858 0.000 . . . . . A 41 ILE HD12 . 18119 1 483 . 1 1 41 41 ILE HD13 H 1 0.858 0.000 . . . . . A 41 ILE HD13 . 18119 1 484 . 1 1 41 41 ILE C C 13 178.417 0.000 . 1 . . . A 41 ILE C . 18119 1 485 . 1 1 41 41 ILE CA C 13 64.291 0.000 . 1 . . . A 41 ILE CA . 18119 1 486 . 1 1 41 41 ILE CB C 13 38.069 0.000 . 1 . . . A 41 ILE CB . 18119 1 487 . 1 1 41 41 ILE CG1 C 13 27.603 0.000 . 1 . . . A 41 ILE CG1 . 18119 1 488 . 1 1 41 41 ILE CG2 C 13 16.439 0.000 . 1 . . . A 41 ILE CG2 . 18119 1 489 . 1 1 41 41 ILE CD1 C 13 12.793 0.000 . 1 . . . A 41 ILE CD1 . 18119 1 490 . 1 1 41 41 ILE N N 15 117.418 0.000 . 1 . . . A 41 ILE N . 18119 1 491 . 1 1 42 42 HIS H H 1 8.647 0.000 . 1 . . . A 42 HIS H . 18119 1 492 . 1 1 42 42 HIS HA H 1 4.363 0.000 . 1 . . . A 42 HIS HA . 18119 1 493 . 1 1 42 42 HIS HB2 H 1 3.114 0.000 . 2 . . . A 42 HIS HB2 . 18119 1 494 . 1 1 42 42 HIS HB3 H 1 2.873 0.000 . 2 . . . A 42 HIS HB3 . 18119 1 495 . 1 1 42 42 HIS HD2 H 1 7.102 0.000 . 1 . . . A 42 HIS HD2 . 18119 1 496 . 1 1 42 42 HIS HE1 H 1 7.991 0.000 . 1 . . . A 42 HIS HE1 . 18119 1 497 . 1 1 42 42 HIS C C 13 175.419 0.000 . 1 . . . A 42 HIS C . 18119 1 498 . 1 1 42 42 HIS CA C 13 57.635 0.000 . 1 . . . A 42 HIS CA . 18119 1 499 . 1 1 42 42 HIS CB C 13 30.931 0.000 . 1 . . . A 42 HIS CB . 18119 1 500 . 1 1 42 42 HIS CE1 C 13 137.938 0.000 . 1 . . . A 42 HIS CE1 . 18119 1 501 . 1 1 42 42 HIS N N 15 116.423 0.000 . 1 . . . A 42 HIS N . 18119 1 502 . 1 1 43 43 TRP H H 1 7.448 0.000 . 1 . . . A 43 TRP H . 18119 1 503 . 1 1 43 43 TRP HA H 1 5.171 0.000 . 1 . . . A 43 TRP HA . 18119 1 504 . 1 1 43 43 TRP HB2 H 1 2.849 0.000 . 2 . . . A 43 TRP HB2 . 18119 1 505 . 1 1 43 43 TRP HB3 H 1 2.999 0.000 . 2 . . . A 43 TRP HB3 . 18119 1 506 . 1 1 43 43 TRP HD1 H 1 7.127 0.000 . 1 . . . A 43 TRP HD1 . 18119 1 507 . 1 1 43 43 TRP HE1 H 1 10.010 0.000 . 1 . . . A 43 TRP HE1 . 18119 1 508 . 1 1 43 43 TRP HE3 H 1 7.138 0.000 . 1 . . . A 43 TRP HE3 . 18119 1 509 . 1 1 43 43 TRP HZ2 H 1 7.355 0.000 . 1 . . . A 43 TRP HZ2 . 18119 1 510 . 1 1 43 43 TRP HZ3 H 1 6.693 0.000 . 1 . . . A 43 TRP HZ3 . 18119 1 511 . 1 1 43 43 TRP HH2 H 1 7.213 0.000 . 1 . . . A 43 TRP HH2 . 18119 1 512 . 1 1 43 43 TRP C C 13 174.198 0.000 . 1 . . . A 43 TRP C . 18119 1 513 . 1 1 43 43 TRP CA C 13 55.711 0.000 . 1 . . . A 43 TRP CA . 18119 1 514 . 1 1 43 43 TRP CB C 13 31.733 0.000 . 1 . . . A 43 TRP CB . 18119 1 515 . 1 1 43 43 TRP CD1 C 13 127.438 0.000 . 1 . . . A 43 TRP CD1 . 18119 1 516 . 1 1 43 43 TRP CE3 C 13 119.441 0.000 . 1 . . . A 43 TRP CE3 . 18119 1 517 . 1 1 43 43 TRP CZ2 C 13 114.279 0.000 . 1 . . . A 43 TRP CZ2 . 18119 1 518 . 1 1 43 43 TRP CZ3 C 13 121.020 0.000 . 1 . . . A 43 TRP CZ3 . 18119 1 519 . 1 1 43 43 TRP CH2 C 13 125.329 0.000 . 1 . . . A 43 TRP CH2 . 18119 1 520 . 1 1 43 43 TRP N N 15 121.017 0.000 . 1 . . . A 43 TRP N . 18119 1 521 . 1 1 43 43 TRP NE1 N 15 128.565 0.000 . 1 . . . A 43 TRP NE1 . 18119 1 522 . 1 1 44 44 TRP H H 1 9.259 0.000 . 1 . . . A 44 TRP H . 18119 1 523 . 1 1 44 44 TRP HA H 1 5.530 0.000 . 1 . . . A 44 TRP HA . 18119 1 524 . 1 1 44 44 TRP HB2 H 1 2.695 0.000 . 2 . . . A 44 TRP HB2 . 18119 1 525 . 1 1 44 44 TRP HB3 H 1 2.973 0.000 . 2 . . . A 44 TRP HB3 . 18119 1 526 . 1 1 44 44 TRP HD1 H 1 7.369 0.000 . 1 . . . A 44 TRP HD1 . 18119 1 527 . 1 1 44 44 TRP HE1 H 1 9.530 0.000 . 1 . . . A 44 TRP HE1 . 18119 1 528 . 1 1 44 44 TRP HE3 H 1 7.164 0.000 . 1 . . . A 44 TRP HE3 . 18119 1 529 . 1 1 44 44 TRP HZ2 H 1 7.566 0.000 . 1 . . . A 44 TRP HZ2 . 18119 1 530 . 1 1 44 44 TRP HZ3 H 1 6.797 0.000 . 1 . . . A 44 TRP HZ3 . 18119 1 531 . 1 1 44 44 TRP HH2 H 1 7.223 0.000 . 1 . . . A 44 TRP HH2 . 18119 1 532 . 1 1 44 44 TRP C C 13 174.637 0.000 . 1 . . . A 44 TRP C . 18119 1 533 . 1 1 44 44 TRP CA C 13 53.242 0.000 . 1 . . . A 44 TRP CA . 18119 1 534 . 1 1 44 44 TRP CB C 13 32.245 0.000 . 1 . . . A 44 TRP CB . 18119 1 535 . 1 1 44 44 TRP CD1 C 13 124.741 0.000 . 1 . . . A 44 TRP CD1 . 18119 1 536 . 1 1 44 44 TRP CE3 C 13 120.875 0.000 . 1 . . . A 44 TRP CE3 . 18119 1 537 . 1 1 44 44 TRP CZ2 C 13 114.476 0.000 . 1 . . . A 44 TRP CZ2 . 18119 1 538 . 1 1 44 44 TRP CZ3 C 13 120.654 0.000 . 1 . . . A 44 TRP CZ3 . 18119 1 539 . 1 1 44 44 TRP CH2 C 13 125.032 0.000 . 1 . . . A 44 TRP CH2 . 18119 1 540 . 1 1 44 44 TRP N N 15 124.515 0.000 . 1 . . . A 44 TRP N . 18119 1 541 . 1 1 44 44 TRP NE1 N 15 128.863 0.000 . 1 . . . A 44 TRP NE1 . 18119 1 542 . 1 1 45 45 ARG H H 1 8.893 0.000 . 1 . . . A 45 ARG H . 18119 1 543 . 1 1 45 45 ARG HA H 1 4.725 0.000 . 1 . . . A 45 ARG HA . 18119 1 544 . 1 1 45 45 ARG HB2 H 1 1.648 0.000 . 2 . . . A 45 ARG HB2 . 18119 1 545 . 1 1 45 45 ARG HB3 H 1 1.230 0.000 . 2 . . . A 45 ARG HB3 . 18119 1 546 . 1 1 45 45 ARG HG2 H 1 1.091 0.000 . 2 . . . A 45 ARG HG2 . 18119 1 547 . 1 1 45 45 ARG HG3 H 1 0.810 0.000 . 2 . . . A 45 ARG HG3 . 18119 1 548 . 1 1 45 45 ARG HD2 H 1 2.884 0.000 . 2 . . . A 45 ARG HD2 . 18119 1 549 . 1 1 45 45 ARG HD3 H 1 2.884 0.000 . 2 . . . A 45 ARG HD3 . 18119 1 550 . 1 1 45 45 ARG C C 13 175.760 0.000 . 1 . . . A 45 ARG C . 18119 1 551 . 1 1 45 45 ARG CA C 13 55.069 0.000 . 1 . . . A 45 ARG CA . 18119 1 552 . 1 1 45 45 ARG CB C 13 32.295 0.000 . 1 . . . A 45 ARG CB . 18119 1 553 . 1 1 45 45 ARG CG C 13 28.378 0.000 . 1 . . . A 45 ARG CG . 18119 1 554 . 1 1 45 45 ARG CD C 13 42.911 0.000 . 1 . . . A 45 ARG CD . 18119 1 555 . 1 1 45 45 ARG N N 15 122.961 0.000 . 1 . . . A 45 ARG N . 18119 1 556 . 1 1 46 46 VAL H H 1 8.842 0.000 . 1 . . . A 46 VAL H . 18119 1 557 . 1 1 46 46 VAL HA H 1 5.397 0.000 . 1 . . . A 46 VAL HA . 18119 1 558 . 1 1 46 46 VAL HB H 1 2.145 0.000 . 1 . . . A 46 VAL HB . 18119 1 559 . 1 1 46 46 VAL HG11 H 1 0.824 0.000 . . . . . A 46 VAL HG11 . 18119 1 560 . 1 1 46 46 VAL HG12 H 1 0.824 0.000 . . . . . A 46 VAL HG12 . 18119 1 561 . 1 1 46 46 VAL HG13 H 1 0.824 0.000 . . . . . A 46 VAL HG13 . 18119 1 562 . 1 1 46 46 VAL HG21 H 1 0.659 0.000 . . . . . A 46 VAL HG21 . 18119 1 563 . 1 1 46 46 VAL HG22 H 1 0.659 0.000 . . . . . A 46 VAL HG22 . 18119 1 564 . 1 1 46 46 VAL HG23 H 1 0.659 0.000 . . . . . A 46 VAL HG23 . 18119 1 565 . 1 1 46 46 VAL C C 13 172.878 0.000 . 1 . . . A 46 VAL C . 18119 1 566 . 1 1 46 46 VAL CA C 13 58.437 0.000 . 1 . . . A 46 VAL CA . 18119 1 567 . 1 1 46 46 VAL CB C 13 36.644 0.000 . 1 . . . A 46 VAL CB . 18119 1 568 . 1 1 46 46 VAL CG1 C 13 21.923 0.000 . 2 . . . A 46 VAL CG1 . 18119 1 569 . 1 1 46 46 VAL CG2 C 13 19.196 0.000 . 2 . . . A 46 VAL CG2 . 18119 1 570 . 1 1 46 46 VAL N N 15 119.847 0.000 . 1 . . . A 46 VAL N . 18119 1 571 . 1 1 47 47 GLN H H 1 8.946 0.000 . 1 . . . A 47 GLN H . 18119 1 572 . 1 1 47 47 GLN HA H 1 5.676 0.000 . 1 . . . A 47 GLN HA . 18119 1 573 . 1 1 47 47 GLN HB2 H 1 1.915 0.000 . 2 . . . A 47 GLN HB2 . 18119 1 574 . 1 1 47 47 GLN HB3 H 1 2.053 0.000 . 2 . . . A 47 GLN HB3 . 18119 1 575 . 1 1 47 47 GLN HG2 H 1 2.202 0.000 . 2 . . . A 47 GLN HG2 . 18119 1 576 . 1 1 47 47 GLN HG3 H 1 2.692 0.000 . 2 . . . A 47 GLN HG3 . 18119 1 577 . 1 1 47 47 GLN HE21 H 1 7.693 0.000 . 2 . . . A 47 GLN HE21 . 18119 1 578 . 1 1 47 47 GLN HE22 H 1 6.775 0.000 . 2 . . . A 47 GLN HE22 . 18119 1 579 . 1 1 47 47 GLN C C 13 176.056 0.000 . 1 . . . A 47 GLN C . 18119 1 580 . 1 1 47 47 GLN CA C 13 53.359 0.000 . 1 . . . A 47 GLN CA . 18119 1 581 . 1 1 47 47 GLN CB C 13 34.650 0.000 . 1 . . . A 47 GLN CB . 18119 1 582 . 1 1 47 47 GLN CG C 13 34.117 0.000 . 1 . . . A 47 GLN CG . 18119 1 583 . 1 1 47 47 GLN N N 15 118.413 0.000 . 1 . . . A 47 GLN N . 18119 1 584 . 1 1 47 47 GLN NE2 N 15 112.362 0.000 . 1 . . . A 47 GLN NE2 . 18119 1 585 . 1 1 48 48 ASP H H 1 9.215 0.000 . 1 . . . A 48 ASP H . 18119 1 586 . 1 1 48 48 ASP HA H 1 5.055 0.000 . 1 . . . A 48 ASP HA . 18119 1 587 . 1 1 48 48 ASP HB2 H 1 3.661 0.000 . 2 . . . A 48 ASP HB2 . 18119 1 588 . 1 1 48 48 ASP HB3 H 1 2.974 0.000 . 2 . . . A 48 ASP HB3 . 18119 1 589 . 1 1 48 48 ASP C C 13 178.107 0.000 . 1 . . . A 48 ASP C . 18119 1 590 . 1 1 48 48 ASP CA C 13 52.421 0.000 . 1 . . . A 48 ASP CA . 18119 1 591 . 1 1 48 48 ASP CB C 13 42.920 0.000 . 1 . . . A 48 ASP CB . 18119 1 592 . 1 1 48 48 ASP N N 15 125.868 0.000 . 1 . . . A 48 ASP N . 18119 1 593 . 1 1 49 49 ARG H H 1 8.927 0.000 . 1 . . . A 49 ARG H . 18119 1 594 . 1 1 49 49 ARG HA H 1 4.188 0.000 . 1 . . . A 49 ARG HA . 18119 1 595 . 1 1 49 49 ARG HB2 H 1 1.938 0.000 . 2 . . . A 49 ARG HB2 . 18119 1 596 . 1 1 49 49 ARG HB3 H 1 1.880 0.000 . 2 . . . A 49 ARG HB3 . 18119 1 597 . 1 1 49 49 ARG HG2 H 1 1.609 0.000 . 2 . . . A 49 ARG HG2 . 18119 1 598 . 1 1 49 49 ARG HG3 H 1 1.657 0.000 . 2 . . . A 49 ARG HG3 . 18119 1 599 . 1 1 49 49 ARG HD2 H 1 3.161 0.000 . 2 . . . A 49 ARG HD2 . 18119 1 600 . 1 1 49 49 ARG HD3 H 1 3.161 0.000 . 2 . . . A 49 ARG HD3 . 18119 1 601 . 1 1 49 49 ARG C C 13 176.658 0.000 . 1 . . . A 49 ARG C . 18119 1 602 . 1 1 49 49 ARG CA C 13 57.315 0.000 . 1 . . . A 49 ARG CA . 18119 1 603 . 1 1 49 49 ARG CB C 13 29.160 0.000 . 1 . . . A 49 ARG CB . 18119 1 604 . 1 1 49 49 ARG CG C 13 26.468 0.000 . 1 . . . A 49 ARG CG . 18119 1 605 . 1 1 49 49 ARG CD C 13 43.156 0.000 . 1 . . . A 49 ARG CD . 18119 1 606 . 1 1 49 49 ARG N N 15 117.439 0.000 . 1 . . . A 49 ARG N . 18119 1 607 . 1 1 50 50 ASN H H 1 8.297 0.000 . 1 . . . A 50 ASN H . 18119 1 608 . 1 1 50 50 ASN HA H 1 4.884 0.000 . 1 . . . A 50 ASN HA . 18119 1 609 . 1 1 50 50 ASN HB2 H 1 2.627 0.000 . 2 . . . A 50 ASN HB2 . 18119 1 610 . 1 1 50 50 ASN HB3 H 1 2.892 0.000 . 2 . . . A 50 ASN HB3 . 18119 1 611 . 1 1 50 50 ASN HD21 H 1 6.956 0.000 . 2 . . . A 50 ASN HD21 . 18119 1 612 . 1 1 50 50 ASN HD22 H 1 7.788 0.000 . 2 . . . A 50 ASN HD22 . 18119 1 613 . 1 1 50 50 ASN CA C 13 52.473 0.000 . 1 . . . A 50 ASN CA . 18119 1 614 . 1 1 50 50 ASN CB C 13 39.704 0.000 . 1 . . . A 50 ASN CB . 18119 1 615 . 1 1 50 50 ASN N N 15 117.432 0.000 . 1 . . . A 50 ASN N . 18119 1 616 . 1 1 50 50 ASN ND2 N 15 113.971 0.000 . 1 . . . A 50 ASN ND2 . 18119 1 617 . 1 1 51 51 GLY H H 1 8.134 0.000 . 1 . . . A 51 GLY H . 18119 1 618 . 1 1 51 51 GLY HA2 H 1 3.529 0.000 . 2 . . . A 51 GLY HA2 . 18119 1 619 . 1 1 51 51 GLY HA3 H 1 4.162 0.000 . 2 . . . A 51 GLY HA3 . 18119 1 620 . 1 1 51 51 GLY CA C 13 45.298 0.000 . 1 . . . A 51 GLY CA . 18119 1 621 . 1 1 51 51 GLY N N 15 107.556 0.000 . 1 . . . A 51 GLY N . 18119 1 622 . 1 1 52 52 HIS H H 1 8.628 0.000 . 1 . . . A 52 HIS H . 18119 1 623 . 1 1 52 52 HIS HA H 1 4.801 0.000 . 1 . . . A 52 HIS HA . 18119 1 624 . 1 1 52 52 HIS HB2 H 1 3.380 0.000 . 2 . . . A 52 HIS HB2 . 18119 1 625 . 1 1 52 52 HIS HB3 H 1 3.266 0.000 . 2 . . . A 52 HIS HB3 . 18119 1 626 . 1 1 52 52 HIS HD2 H 1 7.372 0.000 . 1 . . . A 52 HIS HD2 . 18119 1 627 . 1 1 52 52 HIS HE1 H 1 8.503 0.000 . 1 . . . A 52 HIS HE1 . 18119 1 628 . 1 1 52 52 HIS C C 13 173.644 0.000 . 1 . . . A 52 HIS C . 18119 1 629 . 1 1 52 52 HIS CA C 13 55.069 0.000 . 1 . . . A 52 HIS CA . 18119 1 630 . 1 1 52 52 HIS CB C 13 28.766 0.000 . 1 . . . A 52 HIS CB . 18119 1 631 . 1 1 52 52 HIS CD2 C 13 119.637 0.000 . 1 . . . A 52 HIS CD2 . 18119 1 632 . 1 1 52 52 HIS CE1 C 13 135.934 0.000 . 1 . . . A 52 HIS CE1 . 18119 1 633 . 1 1 52 52 HIS N N 15 121.945 0.000 . 1 . . . A 52 HIS N . 18119 1 634 . 1 1 53 53 GLU H H 1 8.742 0.000 . 1 . . . A 53 GLU H . 18119 1 635 . 1 1 53 53 GLU HA H 1 5.797 0.000 . 1 . . . A 53 GLU HA . 18119 1 636 . 1 1 53 53 GLU HB2 H 1 1.915 0.000 . 2 . . . A 53 GLU HB2 . 18119 1 637 . 1 1 53 53 GLU HB3 H 1 1.826 0.000 . 2 . . . A 53 GLU HB3 . 18119 1 638 . 1 1 53 53 GLU HG2 H 1 2.103 0.000 . 2 . . . A 53 GLU HG2 . 18119 1 639 . 1 1 53 53 GLU HG3 H 1 2.257 0.000 . 2 . . . A 53 GLU HG3 . 18119 1 640 . 1 1 53 53 GLU C C 13 176.136 0.000 . 1 . . . A 53 GLU C . 18119 1 641 . 1 1 53 53 GLU CA C 13 53.866 0.000 . 1 . . . A 53 GLU CA . 18119 1 642 . 1 1 53 53 GLU CB C 13 34.059 0.000 . 1 . . . A 53 GLU CB . 18119 1 643 . 1 1 53 53 GLU CG C 13 36.020 0.000 . 1 . . . A 53 GLU CG . 18119 1 644 . 1 1 53 53 GLU N N 15 120.372 0.000 . 1 . . . A 53 GLU N . 18119 1 645 . 1 1 54 54 GLY H H 1 8.456 0.000 . 1 . . . A 54 GLY H . 18119 1 646 . 1 1 54 54 GLY HA2 H 1 3.963 0.000 . 2 . . . A 54 GLY HA2 . 18119 1 647 . 1 1 54 54 GLY HA3 H 1 3.823 0.000 . 2 . . . A 54 GLY HA3 . 18119 1 648 . 1 1 54 54 GLY CA C 13 45.240 0.000 . 1 . . . A 54 GLY CA . 18119 1 649 . 1 1 54 54 GLY N N 15 105.868 0.000 . 1 . . . A 54 GLY N . 18119 1 650 . 1 1 55 55 TYR H H 1 8.862 0.000 . 1 . . . A 55 TYR H . 18119 1 651 . 1 1 55 55 TYR HA H 1 5.340 0.000 . 1 . . . A 55 TYR HA . 18119 1 652 . 1 1 55 55 TYR HB2 H 1 2.613 0.000 . 2 . . . A 55 TYR HB2 . 18119 1 653 . 1 1 55 55 TYR HB3 H 1 2.790 0.000 . 2 . . . A 55 TYR HB3 . 18119 1 654 . 1 1 55 55 TYR HD1 H 1 6.984 0.000 . 3 . . . A 55 TYR HD1 . 18119 1 655 . 1 1 55 55 TYR HD2 H 1 6.984 0.000 . 3 . . . A 55 TYR HD2 . 18119 1 656 . 1 1 55 55 TYR HE1 H 1 6.901 0.000 . 3 . . . A 55 TYR HE1 . 18119 1 657 . 1 1 55 55 TYR HE2 H 1 6.901 0.000 . 3 . . . A 55 TYR HE2 . 18119 1 658 . 1 1 55 55 TYR C C 13 176.152 0.000 . 1 . . . A 55 TYR C . 18119 1 659 . 1 1 55 55 TYR CA C 13 58.838 0.000 . 1 . . . A 55 TYR CA . 18119 1 660 . 1 1 55 55 TYR CB C 13 40.715 0.000 . 1 . . . A 55 TYR CB . 18119 1 661 . 1 1 55 55 TYR CD1 C 13 132.724 0.000 . 3 . . . A 55 TYR CD1 . 18119 1 662 . 1 1 55 55 TYR CD2 C 13 132.724 0.000 . 3 . . . A 55 TYR CD2 . 18119 1 663 . 1 1 55 55 TYR CE1 C 13 118.234 0.000 . 3 . . . A 55 TYR CE1 . 18119 1 664 . 1 1 55 55 TYR CE2 C 13 118.234 0.000 . 3 . . . A 55 TYR CE2 . 18119 1 665 . 1 1 55 55 TYR N N 15 119.076 0.000 . 1 . . . A 55 TYR N . 18119 1 666 . 1 1 56 56 VAL H H 1 9.177 0.000 . 1 . . . A 56 VAL H . 18119 1 667 . 1 1 56 56 VAL HA H 1 4.831 0.000 . 1 . . . A 56 VAL HA . 18119 1 668 . 1 1 56 56 VAL HB H 1 1.721 0.000 . 1 . . . A 56 VAL HB . 18119 1 669 . 1 1 56 56 VAL HG11 H 1 0.943 0.000 . . . . . A 56 VAL HG11 . 18119 1 670 . 1 1 56 56 VAL HG12 H 1 0.943 0.000 . . . . . A 56 VAL HG12 . 18119 1 671 . 1 1 56 56 VAL HG13 H 1 0.943 0.000 . . . . . A 56 VAL HG13 . 18119 1 672 . 1 1 56 56 VAL HG21 H 1 0.656 0.000 . . . . . A 56 VAL HG21 . 18119 1 673 . 1 1 56 56 VAL HG22 H 1 0.656 0.000 . . . . . A 56 VAL HG22 . 18119 1 674 . 1 1 56 56 VAL HG23 H 1 0.656 0.000 . . . . . A 56 VAL HG23 . 18119 1 675 . 1 1 56 56 VAL C C 13 172.084 0.000 . 1 . . . A 56 VAL C . 18119 1 676 . 1 1 56 56 VAL CA C 13 57.466 0.000 . 1 . . . A 56 VAL CA . 18119 1 677 . 1 1 56 56 VAL CB C 13 33.363 0.000 . 1 . . . A 56 VAL CB . 18119 1 678 . 1 1 56 56 VAL CG1 C 13 23.194 0.000 . 2 . . . A 56 VAL CG1 . 18119 1 679 . 1 1 56 56 VAL CG2 C 13 19.850 0.000 . 2 . . . A 56 VAL CG2 . 18119 1 680 . 1 1 56 56 VAL N N 15 112.136 0.000 . 1 . . . A 56 VAL N . 18119 1 681 . 1 1 57 57 PRO HA H 1 3.815 0.000 . 1 . . . A 57 PRO HA . 18119 1 682 . 1 1 57 57 PRO HB2 H 1 1.236 0.000 . 2 . . . A 57 PRO HB2 . 18119 1 683 . 1 1 57 57 PRO HB3 H 1 1.440 0.000 . 2 . . . A 57 PRO HB3 . 18119 1 684 . 1 1 57 57 PRO HG2 H 1 0.713 0.000 . 2 . . . A 57 PRO HG2 . 18119 1 685 . 1 1 57 57 PRO HG3 H 1 0.659 0.000 . 2 . . . A 57 PRO HG3 . 18119 1 686 . 1 1 57 57 PRO HD2 H 1 2.131 0.000 . 2 . . . A 57 PRO HD2 . 18119 1 687 . 1 1 57 57 PRO HD3 H 1 2.651 0.000 . 2 . . . A 57 PRO HD3 . 18119 1 688 . 1 1 57 57 PRO CA C 13 61.271 0.000 . 1 . . . A 57 PRO CA . 18119 1 689 . 1 1 57 57 PRO CB C 13 30.548 0.000 . 1 . . . A 57 PRO CB . 18119 1 690 . 1 1 57 57 PRO CG C 13 27.112 0.000 . 1 . . . A 57 PRO CG . 18119 1 691 . 1 1 57 57 PRO CD C 13 49.771 0.000 . 1 . . . A 57 PRO CD . 18119 1 692 . 1 1 58 58 SER H H 1 7.825 0.000 . 1 . . . A 58 SER H . 18119 1 693 . 1 1 58 58 SER HA H 1 2.809 0.000 . 1 . . . A 58 SER HA . 18119 1 694 . 1 1 58 58 SER HB2 H 1 1.739 0.000 . 2 . . . A 58 SER HB2 . 18119 1 695 . 1 1 58 58 SER HB3 H 1 1.825 0.000 . 2 . . . A 58 SER HB3 . 18119 1 696 . 1 1 58 58 SER C C 13 176.101 0.000 . 1 . . . A 58 SER C . 18119 1 697 . 1 1 58 58 SER CA C 13 60.150 0.000 . 1 . . . A 58 SER CA . 18119 1 698 . 1 1 58 58 SER CB C 13 60.053 0.000 . 1 . . . A 58 SER CB . 18119 1 699 . 1 1 58 58 SER N N 15 122.141 0.000 . 1 . . . A 58 SER N . 18119 1 700 . 1 1 59 59 SER H H 1 7.771 0.000 . 1 . . . A 59 SER H . 18119 1 701 . 1 1 59 59 SER HA H 1 4.116 0.000 . 1 . . . A 59 SER HA . 18119 1 702 . 1 1 59 59 SER HB2 H 1 3.993 0.000 . 2 . . . A 59 SER HB2 . 18119 1 703 . 1 1 59 59 SER HB3 H 1 3.788 0.000 . 2 . . . A 59 SER HB3 . 18119 1 704 . 1 1 59 59 SER CA C 13 59.400 0.000 . 1 . . . A 59 SER CA . 18119 1 705 . 1 1 59 59 SER CB C 13 62.527 0.000 . 1 . . . A 59 SER CB . 18119 1 706 . 1 1 59 59 SER N N 15 114.671 0.000 . 1 . . . A 59 SER N . 18119 1 707 . 1 1 60 60 TYR H H 1 7.609 0.000 . 1 . . . A 60 TYR H . 18119 1 708 . 1 1 60 60 TYR HA H 1 4.512 0.000 . 1 . . . A 60 TYR HA . 18119 1 709 . 1 1 60 60 TYR HB2 H 1 2.955 0.000 . 2 . . . A 60 TYR HB2 . 18119 1 710 . 1 1 60 60 TYR HB3 H 1 3.210 0.000 . 2 . . . A 60 TYR HB3 . 18119 1 711 . 1 1 60 60 TYR HD1 H 1 7.126 0.000 . 3 . . . A 60 TYR HD1 . 18119 1 712 . 1 1 60 60 TYR HD2 H 1 7.126 0.000 . 3 . . . A 60 TYR HD2 . 18119 1 713 . 1 1 60 60 TYR HE1 H 1 6.913 0.000 . 3 . . . A 60 TYR HE1 . 18119 1 714 . 1 1 60 60 TYR HE2 H 1 6.913 0.000 . 3 . . . A 60 TYR HE2 . 18119 1 715 . 1 1 60 60 TYR C C 13 174.036 0.000 . 1 . . . A 60 TYR C . 18119 1 716 . 1 1 60 60 TYR CA C 13 57.796 0.000 . 1 . . . A 60 TYR CA . 18119 1 717 . 1 1 60 60 TYR CB C 13 37.427 0.000 . 1 . . . A 60 TYR CB . 18119 1 718 . 1 1 60 60 TYR CD1 C 13 131.922 0.000 . 3 . . . A 60 TYR CD1 . 18119 1 719 . 1 1 60 60 TYR CD2 C 13 131.922 0.000 . 3 . . . A 60 TYR CD2 . 18119 1 720 . 1 1 60 60 TYR CE1 C 13 118.216 0.000 . 3 . . . A 60 TYR CE1 . 18119 1 721 . 1 1 60 60 TYR CE2 C 13 118.216 0.000 . 3 . . . A 60 TYR CE2 . 18119 1 722 . 1 1 60 60 TYR N N 15 122.029 0.000 . 1 . . . A 60 TYR N . 18119 1 723 . 1 1 61 61 LEU H H 1 7.307 0.000 . 1 . . . A 61 LEU H . 18119 1 724 . 1 1 61 61 LEU HA H 1 5.403 0.000 . 1 . . . A 61 LEU HA . 18119 1 725 . 1 1 61 61 LEU HB2 H 1 1.172 0.000 . 2 . . . A 61 LEU HB2 . 18119 1 726 . 1 1 61 61 LEU HB3 H 1 1.753 0.000 . 2 . . . A 61 LEU HB3 . 18119 1 727 . 1 1 61 61 LEU HG H 1 1.453 0.000 . 1 . . . A 61 LEU HG . 18119 1 728 . 1 1 61 61 LEU HD11 H 1 0.651 0.000 . . . . . A 61 LEU HD11 . 18119 1 729 . 1 1 61 61 LEU HD12 H 1 0.651 0.000 . . . . . A 61 LEU HD12 . 18119 1 730 . 1 1 61 61 LEU HD13 H 1 0.651 0.000 . . . . . A 61 LEU HD13 . 18119 1 731 . 1 1 61 61 LEU HD21 H 1 0.844 0.000 . . . . . A 61 LEU HD21 . 18119 1 732 . 1 1 61 61 LEU HD22 H 1 0.844 0.000 . . . . . A 61 LEU HD22 . 18119 1 733 . 1 1 61 61 LEU HD23 H 1 0.844 0.000 . . . . . A 61 LEU HD23 . 18119 1 734 . 1 1 61 61 LEU C C 13 175.794 0.000 . 1 . . . A 61 LEU C . 18119 1 735 . 1 1 61 61 LEU CA C 13 53.465 0.000 . 1 . . . A 61 LEU CA . 18119 1 736 . 1 1 61 61 LEU CB C 13 46.585 0.000 . 1 . . . A 61 LEU CB . 18119 1 737 . 1 1 61 61 LEU CG C 13 26.050 0.000 . 1 . . . A 61 LEU CG . 18119 1 738 . 1 1 61 61 LEU CD1 C 13 22.237 0.000 . 2 . . . A 61 LEU CD1 . 18119 1 739 . 1 1 61 61 LEU CD2 C 13 27.901 0.000 . 2 . . . A 61 LEU CD2 . 18119 1 740 . 1 1 61 61 LEU N N 15 119.136 0.000 . 1 . . . A 61 LEU N . 18119 1 741 . 1 1 62 62 VAL H H 1 8.635 0.000 . 1 . . . A 62 VAL H . 18119 1 742 . 1 1 62 62 VAL HA H 1 4.630 0.000 . 1 . . . A 62 VAL HA . 18119 1 743 . 1 1 62 62 VAL HB H 1 2.035 0.000 . 1 . . . A 62 VAL HB . 18119 1 744 . 1 1 62 62 VAL HG11 H 1 1.013 0.000 . . . . . A 62 VAL HG11 . 18119 1 745 . 1 1 62 62 VAL HG12 H 1 1.013 0.000 . . . . . A 62 VAL HG12 . 18119 1 746 . 1 1 62 62 VAL HG13 H 1 1.013 0.000 . . . . . A 62 VAL HG13 . 18119 1 747 . 1 1 62 62 VAL HG21 H 1 0.907 0.000 . . . . . A 62 VAL HG21 . 18119 1 748 . 1 1 62 62 VAL HG22 H 1 0.907 0.000 . . . . . A 62 VAL HG22 . 18119 1 749 . 1 1 62 62 VAL HG23 H 1 0.907 0.000 . . . . . A 62 VAL HG23 . 18119 1 750 . 1 1 62 62 VAL C C 13 174.165 0.000 . 1 . . . A 62 VAL C . 18119 1 751 . 1 1 62 62 VAL CA C 13 59.640 0.000 . 1 . . . A 62 VAL CA . 18119 1 752 . 1 1 62 62 VAL CB C 13 35.663 0.000 . 1 . . . A 62 VAL CB . 18119 1 753 . 1 1 62 62 VAL CG1 C 13 20.357 0.000 . 2 . . . A 62 VAL CG1 . 18119 1 754 . 1 1 62 62 VAL CG2 C 13 20.718 0.000 . 2 . . . A 62 VAL CG2 . 18119 1 755 . 1 1 62 62 VAL N N 15 116.156 0.000 . 1 . . . A 62 VAL N . 18119 1 756 . 1 1 63 63 GLU H H 1 8.884 0.000 . 1 . . . A 63 GLU H . 18119 1 757 . 1 1 63 63 GLU HA H 1 4.418 0.000 . 1 . . . A 63 GLU HA . 18119 1 758 . 1 1 63 63 GLU HB2 H 1 1.989 0.000 . 2 . . . A 63 GLU HB2 . 18119 1 759 . 1 1 63 63 GLU HB3 H 1 2.051 0.000 . 2 . . . A 63 GLU HB3 . 18119 1 760 . 1 1 63 63 GLU HG2 H 1 2.244 0.000 . 2 . . . A 63 GLU HG2 . 18119 1 761 . 1 1 63 63 GLU HG3 H 1 2.333 0.000 . 2 . . . A 63 GLU HG3 . 18119 1 762 . 1 1 63 63 GLU C C 13 176.234 0.000 . 1 . . . A 63 GLU C . 18119 1 763 . 1 1 63 63 GLU CA C 13 57.475 0.000 . 1 . . . A 63 GLU CA . 18119 1 764 . 1 1 63 63 GLU CB C 13 30.049 0.000 . 1 . . . A 63 GLU CB . 18119 1 765 . 1 1 63 63 GLU CG C 13 36.702 0.000 . 1 . . . A 63 GLU CG . 18119 1 766 . 1 1 63 63 GLU N N 15 124.844 0.000 . 1 . . . A 63 GLU N . 18119 1 767 . 1 1 64 64 LYS H H 1 8.496 0.000 . 1 . . . A 64 LYS H . 18119 1 768 . 1 1 64 64 LYS HA H 1 4.179 0.000 . 1 . . . A 64 LYS HA . 18119 1 769 . 1 1 64 64 LYS HB2 H 1 1.803 0.000 . 2 . . . A 64 LYS HB2 . 18119 1 770 . 1 1 64 64 LYS HB3 H 1 1.434 0.000 . 2 . . . A 64 LYS HB3 . 18119 1 771 . 1 1 64 64 LYS HG2 H 1 1.431 0.000 . 2 . . . A 64 LYS HG2 . 18119 1 772 . 1 1 64 64 LYS HG3 H 1 1.369 0.000 . 2 . . . A 64 LYS HG3 . 18119 1 773 . 1 1 64 64 LYS HD2 H 1 1.527 0.000 . 2 . . . A 64 LYS HD2 . 18119 1 774 . 1 1 64 64 LYS HD3 H 1 1.527 0.000 . 2 . . . A 64 LYS HD3 . 18119 1 775 . 1 1 64 64 LYS HE2 H 1 2.909 0.000 . 2 . . . A 64 LYS HE2 . 18119 1 776 . 1 1 64 64 LYS HE3 H 1 2.909 0.000 . 2 . . . A 64 LYS HE3 . 18119 1 777 . 1 1 64 64 LYS C C 13 176.038 0.000 . 1 . . . A 64 LYS C . 18119 1 778 . 1 1 64 64 LYS CA C 13 56.803 0.000 . 1 . . . A 64 LYS CA . 18119 1 779 . 1 1 64 64 LYS CB C 13 33.578 0.000 . 1 . . . A 64 LYS CB . 18119 1 780 . 1 1 64 64 LYS CG C 13 25.035 0.000 . 1 . . . A 64 LYS CG . 18119 1 781 . 1 1 64 64 LYS CD C 13 29.607 0.000 . 1 . . . A 64 LYS CD . 18119 1 782 . 1 1 64 64 LYS CE C 13 42.092 0.000 . 1 . . . A 64 LYS CE . 18119 1 783 . 1 1 64 64 LYS N N 15 125.773 0.000 . 1 . . . A 64 LYS N . 18119 1 784 . 1 1 65 65 SER H H 1 8.620 0.000 . 1 . . . A 65 SER H . 18119 1 785 . 1 1 65 65 SER HA H 1 4.789 0.000 . 1 . . . A 65 SER HA . 18119 1 786 . 1 1 65 65 SER HB2 H 1 3.931 0.000 . 2 . . . A 65 SER HB2 . 18119 1 787 . 1 1 65 65 SER HB3 H 1 3.869 0.000 . 2 . . . A 65 SER HB3 . 18119 1 788 . 1 1 65 65 SER C C 13 172.796 0.000 . 1 . . . A 65 SER C . 18119 1 789 . 1 1 65 65 SER CA C 13 56.112 0.000 . 1 . . . A 65 SER CA . 18119 1 790 . 1 1 65 65 SER CB C 13 63.169 0.000 . 1 . . . A 65 SER CB . 18119 1 791 . 1 1 65 65 SER N N 15 121.732 0.000 . 1 . . . A 65 SER N . 18119 1 792 . 1 1 66 66 PRO HA H 1 4.512 0.000 . 1 . . . A 66 PRO HA . 18119 1 793 . 1 1 66 66 PRO HB2 H 1 2.366 0.000 . 2 . . . A 66 PRO HB2 . 18119 1 794 . 1 1 66 66 PRO HB3 H 1 2.149 0.000 . 2 . . . A 66 PRO HB3 . 18119 1 795 . 1 1 66 66 PRO HG2 H 1 1.817 0.000 . 2 . . . A 66 PRO HG2 . 18119 1 796 . 1 1 66 66 PRO HG3 H 1 1.947 0.000 . 2 . . . A 66 PRO HG3 . 18119 1 797 . 1 1 66 66 PRO HD2 H 1 3.596 0.000 . 2 . . . A 66 PRO HD2 . 18119 1 798 . 1 1 66 66 PRO HD3 H 1 3.535 0.000 . 2 . . . A 66 PRO HD3 . 18119 1 799 . 1 1 66 66 PRO CA C 13 62.371 0.000 . 1 . . . A 66 PRO CA . 18119 1 800 . 1 1 66 66 PRO CB C 13 34.329 0.000 . 1 . . . A 66 PRO CB . 18119 1 801 . 1 1 66 66 PRO CG C 13 24.563 0.000 . 1 . . . A 66 PRO CG . 18119 1 802 . 1 1 66 66 PRO CD C 13 50.137 0.000 . 1 . . . A 66 PRO CD . 18119 1 stop_ save_