data_19198 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19198 _Entry.Title ; NMR Structure of the protein NP_346341.1 from Streptococcus pneumoniae ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-04-29 _Entry.Accession_date 2013-04-29 _Entry.Last_release_date 2013-05-13 _Entry.Original_release_date 2013-05-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Andrew Proudfoot . . . 19198 2 Pedro Serrano . . . 19198 3 Michael Geralt . . . 19198 4 Kurt Wuthrich . . . 19198 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 PSI:Biology 'Joint Center for Structural Genomics' . 19198 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Structural Genomics' . 19198 'Unknown Function' . 19198 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19198 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 233 19198 '15N chemical shifts' 70 19198 '1H chemical shifts' 475 19198 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 . . 2013-05-13 2013-04-26 original author . 19198 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M7O 'BMRB Entry Tracking System' 19198 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19198 _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 'NMR Structure of the protein NP_346341.1 from Streptococcus pneumoniae' _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 Andrew Proudfoot . . . 19198 1 2 Kurt Wuthrich . . . 19198 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19198 _Assembly.ID 1 _Assembly.Name SP18156A _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 SP18156A 1 $entity A . yes native no no . . . 19198 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19198 _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 ; GDDRKLMKTQEELTEIVRDH FSDMGEIATLYVQVYESSLE SLVGGVIFEDGRHYTFVYEN EDLVYEEEVL ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8188.046 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2M7O . "Nmr Structure Of The Protein Np_346341.1 From Streptococcus Pneumoniae" . . . . . 100.00 70 100.00 100.00 3.56e-40 . . . . 19198 1 2 no EMBL CAR69689 . "putative exported protein [Streptococcus pneumoniae ATCC 700669]" . . . . . 100.00 96 98.57 98.57 2.59e-40 . . . . 19198 1 3 no EMBL CBJ21675 . "conserved hypothetical protein [Streptococcus mitis B6]" . . . . . 100.00 99 97.14 97.14 1.18e-39 . . . . 19198 1 4 no EMBL CBW33335 . "putative exported protein [Streptococcus pneumoniae OXC141]" . . . . . 100.00 96 98.57 98.57 2.59e-40 . . . . 19198 1 5 no EMBL CBW35367 . "putative exported protein [Streptococcus pneumoniae INV200]" . . . . . 100.00 96 98.57 98.57 2.59e-40 . . . . 19198 1 6 no EMBL CBW37330 . "putative exported protein [Streptococcus pneumoniae INV104]" . . . . . 100.00 96 98.57 98.57 2.59e-40 . . . . 19198 1 7 no GB AAK75981 . "hypothetical protein SP_1912 [Streptococcus pneumoniae TIGR4]" . . . . . 100.00 99 98.57 98.57 3.43e-40 . . . . 19198 1 8 no GB AAL00531 . "Hypothetical protein spr1728 [Streptococcus pneumoniae R6]" . . . . . 100.00 99 98.57 98.57 3.43e-40 . . . . 19198 1 9 no GB ABJ54543 . "conserved hypothetical protein [Streptococcus pneumoniae D39]" . . . . . 100.00 99 98.57 98.57 3.43e-40 . . . . 19198 1 10 no GB ACA37339 . "conserved hypothetical protein [Streptococcus pneumoniae Hungary19A-6]" . . . . . 100.00 99 98.57 98.57 3.43e-40 . . . . 19198 1 11 no GB ACB91139 . "hypothetical protein SPCG_1887 [Streptococcus pneumoniae CGSP14]" . . . . . 100.00 99 98.57 98.57 3.43e-40 . . . . 19198 1 12 no REF NP_359320 . "hypothetical protein spr1728 [Streptococcus pneumoniae R6]" . . . . . 100.00 99 98.57 98.57 3.43e-40 . . . . 19198 1 13 no REF WP_000266833 . "hypothetical protein [Streptococcus pneumoniae]" . . . . . 100.00 91 97.14 98.57 1.43e-39 . . . . 19198 1 14 no REF WP_001013971 . "MULTISPECIES: hypothetical protein [Streptococcus]" . . . . . 100.00 99 97.14 97.14 1.18e-39 . . . . 19198 1 15 no REF WP_001013972 . "hypothetical protein [Streptococcus pneumoniae]" . . . . . 100.00 99 97.14 97.14 1.18e-39 . . . . 19198 1 16 no REF WP_001013973 . "MULTISPECIES: hypothetical protein [Streptococcus]" . . . . . 100.00 99 97.14 98.57 1.01e-39 . . . . 19198 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 . 19198 1 2 . ASP . 19198 1 3 . ASP . 19198 1 4 . ARG . 19198 1 5 . LYS . 19198 1 6 . LEU . 19198 1 7 . MET . 19198 1 8 . LYS . 19198 1 9 . THR . 19198 1 10 . GLN . 19198 1 11 . GLU . 19198 1 12 . GLU . 19198 1 13 . LEU . 19198 1 14 . THR . 19198 1 15 . GLU . 19198 1 16 . ILE . 19198 1 17 . VAL . 19198 1 18 . ARG . 19198 1 19 . ASP . 19198 1 20 . HIS . 19198 1 21 . PHE . 19198 1 22 . SER . 19198 1 23 . ASP . 19198 1 24 . MET . 19198 1 25 . GLY . 19198 1 26 . GLU . 19198 1 27 . ILE . 19198 1 28 . ALA . 19198 1 29 . THR . 19198 1 30 . LEU . 19198 1 31 . TYR . 19198 1 32 . VAL . 19198 1 33 . GLN . 19198 1 34 . VAL . 19198 1 35 . TYR . 19198 1 36 . GLU . 19198 1 37 . SER . 19198 1 38 . SER . 19198 1 39 . LEU . 19198 1 40 . GLU . 19198 1 41 . SER . 19198 1 42 . LEU . 19198 1 43 . VAL . 19198 1 44 . GLY . 19198 1 45 . GLY . 19198 1 46 . VAL . 19198 1 47 . ILE . 19198 1 48 . PHE . 19198 1 49 . GLU . 19198 1 50 . ASP . 19198 1 51 . GLY . 19198 1 52 . ARG . 19198 1 53 . HIS . 19198 1 54 . TYR . 19198 1 55 . THR . 19198 1 56 . PHE . 19198 1 57 . VAL . 19198 1 58 . TYR . 19198 1 59 . GLU . 19198 1 60 . ASN . 19198 1 61 . GLU . 19198 1 62 . ASP . 19198 1 63 . LEU . 19198 1 64 . VAL . 19198 1 65 . TYR . 19198 1 66 . GLU . 19198 1 67 . GLU . 19198 1 68 . GLU . 19198 1 69 . VAL . 19198 1 70 . LEU . 19198 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 19198 1 . ASP 2 2 19198 1 . ASP 3 3 19198 1 . ARG 4 4 19198 1 . LYS 5 5 19198 1 . LEU 6 6 19198 1 . MET 7 7 19198 1 . LYS 8 8 19198 1 . THR 9 9 19198 1 . GLN 10 10 19198 1 . GLU 11 11 19198 1 . GLU 12 12 19198 1 . LEU 13 13 19198 1 . THR 14 14 19198 1 . GLU 15 15 19198 1 . ILE 16 16 19198 1 . VAL 17 17 19198 1 . ARG 18 18 19198 1 . ASP 19 19 19198 1 . HIS 20 20 19198 1 . PHE 21 21 19198 1 . SER 22 22 19198 1 . ASP 23 23 19198 1 . MET 24 24 19198 1 . GLY 25 25 19198 1 . GLU 26 26 19198 1 . ILE 27 27 19198 1 . ALA 28 28 19198 1 . THR 29 29 19198 1 . LEU 30 30 19198 1 . TYR 31 31 19198 1 . VAL 32 32 19198 1 . GLN 33 33 19198 1 . VAL 34 34 19198 1 . TYR 35 35 19198 1 . GLU 36 36 19198 1 . SER 37 37 19198 1 . SER 38 38 19198 1 . LEU 39 39 19198 1 . GLU 40 40 19198 1 . SER 41 41 19198 1 . LEU 42 42 19198 1 . VAL 43 43 19198 1 . GLY 44 44 19198 1 . GLY 45 45 19198 1 . VAL 46 46 19198 1 . ILE 47 47 19198 1 . PHE 48 48 19198 1 . GLU 49 49 19198 1 . ASP 50 50 19198 1 . GLY 51 51 19198 1 . ARG 52 52 19198 1 . HIS 53 53 19198 1 . TYR 54 54 19198 1 . THR 55 55 19198 1 . PHE 56 56 19198 1 . VAL 57 57 19198 1 . TYR 58 58 19198 1 . GLU 59 59 19198 1 . ASN 60 60 19198 1 . GLU 61 61 19198 1 . ASP 62 62 19198 1 . LEU 63 63 19198 1 . VAL 64 64 19198 1 . TYR 65 65 19198 1 . GLU 66 66 19198 1 . GLU 67 67 19198 1 . GLU 68 68 19198 1 . VAL 69 69 19198 1 . LEU 70 70 19198 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 19198 _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 . 1313 organism . 'Streptococcus pneumoniae' 'Streptococcus pneumoniae' . . Bacteria . Streptococcus pneumoniae . . . . . . . . . . . . . . . . . . . . . 19198 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 19198 _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 . . . . . . . . . . . . . . . . Pspeedet . . . . . . 19198 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19198 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19198 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19198 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19198 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19198 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 19198 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.220 . M 19198 1 pH 6.5 . pH 19198 1 pressure 1 . atm 19198 1 temperature 298 . K 19198 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19198 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19198 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19198 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19198 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19198 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19198 2 processing 19198 2 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 19198 _Software.ID 3 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 19198 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19198 3 'structure solution' 19198 3 stop_ save_ save_Opalp _Software.Sf_category software _Software.Sf_framecode Opalp _Software.Entry_ID 19198 _Software.ID 4 _Software.Name Opalp _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 19198 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19198 4 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19198 _Software.ID 5 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19198 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19198 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance601 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance601 _NMR_spectrometer.Entry_ID 19198 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_Avance800 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode Avance800 _NMR_spectrometer.Entry_ID 19198 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19198 _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 Avance601 Bruker Avance . 600 . . . 19198 1 2 Avance800 Bruker Avance . 800 . . . 19198 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 19198 _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 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19198 1 2 '3D 1H-13C NOESY aliphatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19198 1 3 '3D 1H-13C NOESY aromatic' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19198 1 4 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19198 1 5 'APSY 4D-HACANH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19198 1 6 'APSY 5D-CBCACONH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19198 1 7 'APSY 5D-HACACONH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 19198 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 19198 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CYANA _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . 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 19198 _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 . . . . . . . . . 19198 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19198 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19198 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 19198 _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' . . . 19198 1 2 '3D 1H-13C NOESY aliphatic' . . . 19198 1 3 '3D 1H-13C NOESY aromatic' . . . 19198 1 4 '3D 1H-15N NOESY' . . . 19198 1 5 'APSY 4D-HACANH' . . . 19198 1 6 'APSY 5D-CBCACONH' . . . 19198 1 7 'APSY 5D-HACACONH' . . . 19198 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 3 3 ASP H H 1 8.416 0.029 . 1 . . . A 3 ASP H . 19198 1 2 . 1 1 3 3 ASP HB3 H 1 2.584 0.029 . 2 . . . A 3 ASP HB3 . 19198 1 3 . 1 1 3 3 ASP N N 15 120.996 0.109 . 1 . . . A 3 ASP N . 19198 1 4 . 1 1 4 4 ARG H H 1 8.187 0.029 . 1 . . . A 4 ARG H . 19198 1 5 . 1 1 4 4 ARG HB3 H 1 1.591 0.029 . 2 . . . A 4 ARG HB3 . 19198 1 6 . 1 1 4 4 ARG N N 15 120.957 0.109 . 1 . . . A 4 ARG N . 19198 1 7 . 1 1 5 5 LYS H H 1 8.223 0.029 . 1 . . . A 5 LYS H . 19198 1 8 . 1 1 5 5 LYS HA H 1 4.209 0.029 . 1 . . . A 5 LYS HA . 19198 1 9 . 1 1 5 5 LYS HB2 H 1 1.734 0.029 . 2 . . . A 5 LYS HB2 . 19198 1 10 . 1 1 5 5 LYS HB3 H 1 1.693 0.029 . 2 . . . A 5 LYS HB3 . 19198 1 11 . 1 1 5 5 LYS HG2 H 1 1.345 0.029 . 2 . . . A 5 LYS HG2 . 19198 1 12 . 1 1 5 5 LYS HG3 H 1 1.308 0.029 . 2 . . . A 5 LYS HG3 . 19198 1 13 . 1 1 5 5 LYS CA C 13 53.562 0.141 . 1 . . . A 5 LYS CA . 19198 1 14 . 1 1 5 5 LYS CB C 13 30.595 0.141 . 1 . . . A 5 LYS CB . 19198 1 15 . 1 1 5 5 LYS CG C 13 22.249 0.141 . 1 . . . A 5 LYS CG . 19198 1 16 . 1 1 5 5 LYS N N 15 122.746 0.109 . 1 . . . A 5 LYS N . 19198 1 17 . 1 1 6 6 LEU H H 1 8.258 0.029 . 1 . . . A 6 LEU H . 19198 1 18 . 1 1 6 6 LEU HA H 1 4.345 0.029 . 1 . . . A 6 LEU HA . 19198 1 19 . 1 1 6 6 LEU HB2 H 1 1.548 0.029 . 2 . . . A 6 LEU HB2 . 19198 1 20 . 1 1 6 6 LEU HB3 H 1 1.522 0.029 . 2 . . . A 6 LEU HB3 . 19198 1 21 . 1 1 6 6 LEU HG H 1 1.546 0.029 . 1 . . . A 6 LEU HG . 19198 1 22 . 1 1 6 6 LEU HD11 H 1 0.874 0.029 . 2 . . . A 6 LEU QD1 . 19198 1 23 . 1 1 6 6 LEU HD12 H 1 0.874 0.029 . 2 . . . A 6 LEU QD1 . 19198 1 24 . 1 1 6 6 LEU HD13 H 1 0.874 0.029 . 2 . . . A 6 LEU QD1 . 19198 1 25 . 1 1 6 6 LEU HD21 H 1 0.811 0.029 . 2 . . . A 6 LEU QD2 . 19198 1 26 . 1 1 6 6 LEU HD22 H 1 0.811 0.029 . 2 . . . A 6 LEU QD2 . 19198 1 27 . 1 1 6 6 LEU HD23 H 1 0.811 0.029 . 2 . . . A 6 LEU QD2 . 19198 1 28 . 1 1 6 6 LEU CA C 13 52.051 0.141 . 1 . . . A 6 LEU CA . 19198 1 29 . 1 1 6 6 LEU CB C 13 39.833 0.141 . 1 . . . A 6 LEU CB . 19198 1 30 . 1 1 6 6 LEU CG C 13 24.574 0.141 . 1 . . . A 6 LEU CG . 19198 1 31 . 1 1 6 6 LEU CD1 C 13 22.388 0.141 . 2 . . . A 6 LEU CD1 . 19198 1 32 . 1 1 6 6 LEU CD2 C 13 21.166 0.141 . 2 . . . A 6 LEU CD2 . 19198 1 33 . 1 1 6 6 LEU N N 15 124.432 0.109 . 1 . . . A 6 LEU N . 19198 1 34 . 1 1 7 7 MET H H 1 8.284 0.029 . 1 . . . A 7 MET H . 19198 1 35 . 1 1 7 7 MET HA H 1 4.529 0.029 . 1 . . . A 7 MET HA . 19198 1 36 . 1 1 7 7 MET HB2 H 1 2.090 0.029 . 2 . . . A 7 MET HB2 . 19198 1 37 . 1 1 7 7 MET HB3 H 1 1.939 0.029 . 2 . . . A 7 MET HB3 . 19198 1 38 . 1 1 7 7 MET HG2 H 1 2.594 0.029 . 2 . . . A 7 MET HG2 . 19198 1 39 . 1 1 7 7 MET HG3 H 1 2.505 0.029 . 2 . . . A 7 MET HG3 . 19198 1 40 . 1 1 7 7 MET HE1 H 1 2.032 0.029 . 1 . . . A 7 MET QE . 19198 1 41 . 1 1 7 7 MET HE2 H 1 2.032 0.029 . 1 . . . A 7 MET QE . 19198 1 42 . 1 1 7 7 MET HE3 H 1 2.032 0.029 . 1 . . . A 7 MET QE . 19198 1 43 . 1 1 7 7 MET CA C 13 52.288 0.141 . 1 . . . A 7 MET CA . 19198 1 44 . 1 1 7 7 MET CB C 13 30.827 0.141 . 1 . . . A 7 MET CB . 19198 1 45 . 1 1 7 7 MET CG C 13 29.854 0.141 . 1 . . . A 7 MET CG . 19198 1 46 . 1 1 7 7 MET CE C 13 15.022 0.141 . 1 . . . A 7 MET CE . 19198 1 47 . 1 1 7 7 MET N N 15 122.420 0.109 . 1 . . . A 7 MET N . 19198 1 48 . 1 1 8 8 LYS H H 1 9.420 0.029 . 1 . . . A 8 LYS H . 19198 1 49 . 1 1 8 8 LYS HA H 1 4.461 0.029 . 1 . . . A 8 LYS HA . 19198 1 50 . 1 1 8 8 LYS HB2 H 1 1.642 0.029 . 2 . . . A 8 LYS QB . 19198 1 51 . 1 1 8 8 LYS HB3 H 1 1.642 0.029 . 2 . . . A 8 LYS QB . 19198 1 52 . 1 1 8 8 LYS HG2 H 1 1.429 0.029 . 2 . . . A 8 LYS HG2 . 19198 1 53 . 1 1 8 8 LYS HG3 H 1 1.591 0.029 . 2 . . . A 8 LYS HG3 . 19198 1 54 . 1 1 8 8 LYS HD2 H 1 1.471 0.029 . 2 . . . A 8 LYS QD . 19198 1 55 . 1 1 8 8 LYS HD3 H 1 1.471 0.029 . 2 . . . A 8 LYS QD . 19198 1 56 . 1 1 8 8 LYS HE2 H 1 2.937 0.029 . 2 . . . A 8 LYS QE . 19198 1 57 . 1 1 8 8 LYS HE3 H 1 2.937 0.029 . 2 . . . A 8 LYS QE . 19198 1 58 . 1 1 8 8 LYS CA C 13 53.986 0.141 . 1 . . . A 8 LYS CA . 19198 1 59 . 1 1 8 8 LYS CB C 13 31.771 0.141 . 1 . . . A 8 LYS CB . 19198 1 60 . 1 1 8 8 LYS CG C 13 23.299 0.141 . 1 . . . A 8 LYS CG . 19198 1 61 . 1 1 8 8 LYS CD C 13 27.067 0.141 . 1 . . . A 8 LYS CD . 19198 1 62 . 1 1 8 8 LYS CE C 13 39.698 0.141 . 1 . . . A 8 LYS CE . 19198 1 63 . 1 1 8 8 LYS N N 15 124.204 0.109 . 1 . . . A 8 LYS N . 19198 1 64 . 1 1 9 9 THR H H 1 8.817 0.029 . 1 . . . A 9 THR H . 19198 1 65 . 1 1 9 9 THR HA H 1 4.366 0.029 . 1 . . . A 9 THR HA . 19198 1 66 . 1 1 9 9 THR HB H 1 4.659 0.029 . 1 . . . A 9 THR HB . 19198 1 67 . 1 1 9 9 THR HG21 H 1 1.314 0.029 . 1 . . . A 9 THR QG2 . 19198 1 68 . 1 1 9 9 THR HG22 H 1 1.314 0.029 . 1 . . . A 9 THR QG2 . 19198 1 69 . 1 1 9 9 THR HG23 H 1 1.314 0.029 . 1 . . . A 9 THR QG2 . 19198 1 70 . 1 1 9 9 THR CA C 13 57.964 0.141 . 1 . . . A 9 THR CA . 19198 1 71 . 1 1 9 9 THR CB C 13 68.912 0.141 . 1 . . . A 9 THR CB . 19198 1 72 . 1 1 9 9 THR CG2 C 13 19.435 0.141 . 1 . . . A 9 THR CG2 . 19198 1 73 . 1 1 9 9 THR N N 15 113.488 0.109 . 1 . . . A 9 THR N . 19198 1 74 . 1 1 10 10 GLN H H 1 8.586 0.029 . 1 . . . A 10 GLN H . 19198 1 75 . 1 1 10 10 GLN HA H 1 3.012 0.029 . 1 . . . A 10 GLN HA . 19198 1 76 . 1 1 10 10 GLN HB2 H 1 1.319 0.029 . 2 . . . A 10 GLN HB2 . 19198 1 77 . 1 1 10 10 GLN HB3 H 1 0.949 0.029 . 2 . . . A 10 GLN HB3 . 19198 1 78 . 1 1 10 10 GLN HG2 H 1 1.879 0.029 . 2 . . . A 10 GLN HG2 . 19198 1 79 . 1 1 10 10 GLN HG3 H 1 1.552 0.029 . 2 . . . A 10 GLN HG3 . 19198 1 80 . 1 1 10 10 GLN HE21 H 1 6.799 0.029 . 1 . . . A 10 GLN HE21 . 19198 1 81 . 1 1 10 10 GLN HE22 H 1 7.403 0.029 . 1 . . . A 10 GLN HE22 . 19198 1 82 . 1 1 10 10 GLN CA C 13 57.666 0.141 . 1 . . . A 10 GLN CA . 19198 1 83 . 1 1 10 10 GLN CB C 13 24.850 0.141 . 1 . . . A 10 GLN CB . 19198 1 84 . 1 1 10 10 GLN CG C 13 31.085 0.141 . 1 . . . A 10 GLN CG . 19198 1 85 . 1 1 10 10 GLN N N 15 121.509 0.109 . 1 . . . A 10 GLN N . 19198 1 86 . 1 1 10 10 GLN NE2 N 15 110.066 0.109 . 1 . . . A 10 GLN NE2 . 19198 1 87 . 1 1 11 11 GLU H H 1 8.998 0.029 . 1 . . . A 11 GLU H . 19198 1 88 . 1 1 11 11 GLU HA H 1 3.801 0.029 . 1 . . . A 11 GLU HA . 19198 1 89 . 1 1 11 11 GLU HB2 H 1 1.953 0.029 . 2 . . . A 11 GLU HB2 . 19198 1 90 . 1 1 11 11 GLU HB3 H 1 1.826 0.029 . 2 . . . A 11 GLU HB3 . 19198 1 91 . 1 1 11 11 GLU HG2 H 1 2.301 0.029 . 2 . . . A 11 GLU HG2 . 19198 1 92 . 1 1 11 11 GLU HG3 H 1 2.170 0.029 . 2 . . . A 11 GLU HG3 . 19198 1 93 . 1 1 11 11 GLU CA C 13 57.739 0.141 . 1 . . . A 11 GLU CA . 19198 1 94 . 1 1 11 11 GLU CB C 13 26.332 0.141 . 1 . . . A 11 GLU CB . 19198 1 95 . 1 1 11 11 GLU CG C 13 34.130 0.141 . 1 . . . A 11 GLU CG . 19198 1 96 . 1 1 11 11 GLU N N 15 121.406 0.109 . 1 . . . A 11 GLU N . 19198 1 97 . 1 1 12 12 GLU H H 1 7.688 0.029 . 1 . . . A 12 GLU H . 19198 1 98 . 1 1 12 12 GLU HA H 1 3.864 0.029 . 1 . . . A 12 GLU HA . 19198 1 99 . 1 1 12 12 GLU HB2 H 1 2.210 0.029 . 2 . . . A 12 GLU HB2 . 19198 1 100 . 1 1 12 12 GLU HB3 H 1 1.780 0.029 . 2 . . . A 12 GLU HB3 . 19198 1 101 . 1 1 12 12 GLU HG2 H 1 2.267 0.029 . 2 . . . A 12 GLU HG2 . 19198 1 102 . 1 1 12 12 GLU HG3 H 1 2.144 0.029 . 2 . . . A 12 GLU HG3 . 19198 1 103 . 1 1 12 12 GLU CA C 13 56.542 0.141 . 1 . . . A 12 GLU CA . 19198 1 104 . 1 1 12 12 GLU CB C 13 27.796 0.141 . 1 . . . A 12 GLU CB . 19198 1 105 . 1 1 12 12 GLU CG C 13 35.086 0.141 . 1 . . . A 12 GLU CG . 19198 1 106 . 1 1 12 12 GLU N N 15 120.601 0.109 . 1 . . . A 12 GLU N . 19198 1 107 . 1 1 13 13 LEU H H 1 8.172 0.029 . 1 . . . A 13 LEU H . 19198 1 108 . 1 1 13 13 LEU HA H 1 3.755 0.029 . 1 . . . A 13 LEU HA . 19198 1 109 . 1 1 13 13 LEU HB2 H 1 1.714 0.029 . 2 . . . A 13 LEU HB2 . 19198 1 110 . 1 1 13 13 LEU HB3 H 1 1.050 0.029 . 2 . . . A 13 LEU HB3 . 19198 1 111 . 1 1 13 13 LEU HG H 1 1.704 0.029 . 1 . . . A 13 LEU HG . 19198 1 112 . 1 1 13 13 LEU HD11 H 1 0.772 0.029 . 2 . . . A 13 LEU QD1 . 19198 1 113 . 1 1 13 13 LEU HD12 H 1 0.772 0.029 . 2 . . . A 13 LEU QD1 . 19198 1 114 . 1 1 13 13 LEU HD13 H 1 0.772 0.029 . 2 . . . A 13 LEU QD1 . 19198 1 115 . 1 1 13 13 LEU HD21 H 1 0.651 0.029 . 2 . . . A 13 LEU QD2 . 19198 1 116 . 1 1 13 13 LEU HD22 H 1 0.651 0.029 . 2 . . . A 13 LEU QD2 . 19198 1 117 . 1 1 13 13 LEU HD23 H 1 0.651 0.029 . 2 . . . A 13 LEU QD2 . 19198 1 118 . 1 1 13 13 LEU CA C 13 54.855 0.141 . 1 . . . A 13 LEU CA . 19198 1 119 . 1 1 13 13 LEU CB C 13 40.140 0.141 . 1 . . . A 13 LEU CB . 19198 1 120 . 1 1 13 13 LEU CG C 13 23.793 0.141 . 1 . . . A 13 LEU CG . 19198 1 121 . 1 1 13 13 LEU CD1 C 13 23.935 0.141 . 1 . . . A 13 LEU CD1 . 19198 1 122 . 1 1 13 13 LEU CD2 C 13 21.255 0.141 . 1 . . . A 13 LEU CD2 . 19198 1 123 . 1 1 13 13 LEU N N 15 117.867 0.109 . 1 . . . A 13 LEU N . 19198 1 124 . 1 1 14 14 THR H H 1 8.166 0.029 . 1 . . . A 14 THR H . 19198 1 125 . 1 1 14 14 THR HA H 1 3.256 0.029 . 1 . . . A 14 THR HA . 19198 1 126 . 1 1 14 14 THR HB H 1 4.145 0.029 . 1 . . . A 14 THR HB . 19198 1 127 . 1 1 14 14 THR HG21 H 1 1.005 0.029 . 1 . . . A 14 THR QG2 . 19198 1 128 . 1 1 14 14 THR HG22 H 1 1.005 0.029 . 1 . . . A 14 THR QG2 . 19198 1 129 . 1 1 14 14 THR HG23 H 1 1.005 0.029 . 1 . . . A 14 THR QG2 . 19198 1 130 . 1 1 14 14 THR CA C 13 64.768 0.141 . 1 . . . A 14 THR CA . 19198 1 131 . 1 1 14 14 THR CB C 13 65.545 0.141 . 1 . . . A 14 THR CB . 19198 1 132 . 1 1 14 14 THR CG2 C 13 18.626 0.141 . 1 . . . A 14 THR CG2 . 19198 1 133 . 1 1 14 14 THR N N 15 115.136 0.109 . 1 . . . A 14 THR N . 19198 1 134 . 1 1 15 15 GLU H H 1 7.504 0.029 . 1 . . . A 15 GLU H . 19198 1 135 . 1 1 15 15 GLU HA H 1 3.857 0.029 . 1 . . . A 15 GLU HA . 19198 1 136 . 1 1 15 15 GLU HB2 H 1 1.949 0.029 . 2 . . . A 15 GLU QB . 19198 1 137 . 1 1 15 15 GLU HB3 H 1 1.949 0.029 . 2 . . . A 15 GLU QB . 19198 1 138 . 1 1 15 15 GLU HG2 H 1 2.221 0.029 . 2 . . . A 15 GLU HG2 . 19198 1 139 . 1 1 15 15 GLU HG3 H 1 2.254 0.029 . 2 . . . A 15 GLU HG3 . 19198 1 140 . 1 1 15 15 GLU CA C 13 56.467 0.141 . 1 . . . A 15 GLU CA . 19198 1 141 . 1 1 15 15 GLU CB C 13 26.370 0.141 . 1 . . . A 15 GLU CB . 19198 1 142 . 1 1 15 15 GLU CG C 13 33.020 0.141 . 1 . . . A 15 GLU CG . 19198 1 143 . 1 1 15 15 GLU N N 15 120.674 0.109 . 1 . . . A 15 GLU N . 19198 1 144 . 1 1 16 16 ILE H H 1 7.162 0.029 . 1 . . . A 16 ILE H . 19198 1 145 . 1 1 16 16 ILE HA H 1 3.602 0.029 . 1 . . . A 16 ILE HA . 19198 1 146 . 1 1 16 16 ILE HB H 1 1.615 0.029 . 1 . . . A 16 ILE HB . 19198 1 147 . 1 1 16 16 ILE HG12 H 1 1.643 0.029 . 2 . . . A 16 ILE HG12 . 19198 1 148 . 1 1 16 16 ILE HG13 H 1 0.950 0.029 . 2 . . . A 16 ILE HG13 . 19198 1 149 . 1 1 16 16 ILE HG21 H 1 0.663 0.029 . 1 . . . A 16 ILE QG2 . 19198 1 150 . 1 1 16 16 ILE HG22 H 1 0.663 0.029 . 1 . . . A 16 ILE QG2 . 19198 1 151 . 1 1 16 16 ILE HG23 H 1 0.663 0.029 . 1 . . . A 16 ILE QG2 . 19198 1 152 . 1 1 16 16 ILE HD11 H 1 0.705 0.029 . 1 . . . A 16 ILE QD1 . 19198 1 153 . 1 1 16 16 ILE HD12 H 1 0.705 0.029 . 1 . . . A 16 ILE QD1 . 19198 1 154 . 1 1 16 16 ILE HD13 H 1 0.705 0.029 . 1 . . . A 16 ILE QD1 . 19198 1 155 . 1 1 16 16 ILE CA C 13 62.428 0.141 . 1 . . . A 16 ILE CA . 19198 1 156 . 1 1 16 16 ILE CB C 13 35.913 0.141 . 1 . . . A 16 ILE CB . 19198 1 157 . 1 1 16 16 ILE CG1 C 13 26.702 0.141 . 1 . . . A 16 ILE CG1 . 19198 1 158 . 1 1 16 16 ILE CG2 C 13 14.224 0.141 . 1 . . . A 16 ILE CG2 . 19198 1 159 . 1 1 16 16 ILE CD1 C 13 11.226 0.141 . 1 . . . A 16 ILE CD1 . 19198 1 160 . 1 1 16 16 ILE N N 15 119.946 0.109 . 1 . . . A 16 ILE N . 19198 1 161 . 1 1 17 17 VAL H H 1 7.539 0.029 . 1 . . . A 17 VAL H . 19198 1 162 . 1 1 17 17 VAL HA H 1 3.001 0.029 . 1 . . . A 17 VAL HA . 19198 1 163 . 1 1 17 17 VAL HB H 1 1.580 0.029 . 1 . . . A 17 VAL HB . 19198 1 164 . 1 1 17 17 VAL HG11 H 1 -0.071 0.029 . 2 . . . A 17 VAL QG1 . 19198 1 165 . 1 1 17 17 VAL HG12 H 1 -0.071 0.029 . 2 . . . A 17 VAL QG1 . 19198 1 166 . 1 1 17 17 VAL HG13 H 1 -0.071 0.029 . 2 . . . A 17 VAL QG1 . 19198 1 167 . 1 1 17 17 VAL HG21 H 1 0.427 0.029 . 2 . . . A 17 VAL QG2 . 19198 1 168 . 1 1 17 17 VAL HG22 H 1 0.427 0.029 . 2 . . . A 17 VAL QG2 . 19198 1 169 . 1 1 17 17 VAL HG23 H 1 0.427 0.029 . 2 . . . A 17 VAL QG2 . 19198 1 170 . 1 1 17 17 VAL CA C 13 64.706 0.141 . 1 . . . A 17 VAL CA . 19198 1 171 . 1 1 17 17 VAL CB C 13 28.391 0.141 . 1 . . . A 17 VAL CB . 19198 1 172 . 1 1 17 17 VAL CG1 C 13 18.652 0.141 . 1 . . . A 17 VAL CG1 . 19198 1 173 . 1 1 17 17 VAL CG2 C 13 20.313 0.141 . 1 . . . A 17 VAL CG2 . 19198 1 174 . 1 1 17 17 VAL N N 15 120.087 0.109 . 1 . . . A 17 VAL N . 19198 1 175 . 1 1 18 18 ARG H H 1 8.708 0.029 . 1 . . . A 18 ARG H . 19198 1 176 . 1 1 18 18 ARG HA H 1 3.438 0.029 . 1 . . . A 18 ARG HA . 19198 1 177 . 1 1 18 18 ARG HB2 H 1 1.673 0.029 . 2 . . . A 18 ARG HB2 . 19198 1 178 . 1 1 18 18 ARG HB3 H 1 1.756 0.029 . 2 . . . A 18 ARG HB3 . 19198 1 179 . 1 1 18 18 ARG HG2 H 1 1.412 0.029 . 2 . . . A 18 ARG HG2 . 19198 1 180 . 1 1 18 18 ARG HG3 H 1 1.373 0.029 . 2 . . . A 18 ARG HG3 . 19198 1 181 . 1 1 18 18 ARG HD2 H 1 3.114 0.029 . 2 . . . A 18 ARG HD2 . 19198 1 182 . 1 1 18 18 ARG HD3 H 1 3.079 0.029 . 2 . . . A 18 ARG HD3 . 19198 1 183 . 1 1 18 18 ARG CA C 13 57.834 0.141 . 1 . . . A 18 ARG CA . 19198 1 184 . 1 1 18 18 ARG CB C 13 27.388 0.141 . 1 . . . A 18 ARG CB . 19198 1 185 . 1 1 18 18 ARG CG C 13 25.073 0.141 . 1 . . . A 18 ARG CG . 19198 1 186 . 1 1 18 18 ARG CD C 13 40.348 0.141 . 1 . . . A 18 ARG CD . 19198 1 187 . 1 1 18 18 ARG N N 15 121.099 0.109 . 1 . . . A 18 ARG N . 19198 1 188 . 1 1 19 19 ASP H H 1 8.286 0.029 . 1 . . . A 19 ASP H . 19198 1 189 . 1 1 19 19 ASP HA H 1 4.215 0.029 . 1 . . . A 19 ASP HA . 19198 1 190 . 1 1 19 19 ASP HB2 H 1 2.722 0.029 . 2 . . . A 19 ASP HB2 . 19198 1 191 . 1 1 19 19 ASP HB3 H 1 2.550 0.029 . 2 . . . A 19 ASP HB3 . 19198 1 192 . 1 1 19 19 ASP CA C 13 54.604 0.141 . 1 . . . A 19 ASP CA . 19198 1 193 . 1 1 19 19 ASP CB C 13 37.705 0.141 . 1 . . . A 19 ASP CB . 19198 1 194 . 1 1 19 19 ASP N N 15 118.955 0.109 . 1 . . . A 19 ASP N . 19198 1 195 . 1 1 20 20 HIS H H 1 7.532 0.029 . 1 . . . A 20 HIS H . 19198 1 196 . 1 1 20 20 HIS HA H 1 4.147 0.029 . 1 . . . A 20 HIS HA . 19198 1 197 . 1 1 20 20 HIS HB2 H 1 2.889 0.029 . 2 . . . A 20 HIS HB2 . 19198 1 198 . 1 1 20 20 HIS HB3 H 1 2.688 0.029 . 2 . . . A 20 HIS HB3 . 19198 1 199 . 1 1 20 20 HIS HD2 H 1 6.293 0.029 . 1 . . . A 20 HIS HD2 . 19198 1 200 . 1 1 20 20 HIS HE1 H 1 8.381 0.029 . 1 . . . A 20 HIS HE1 . 19198 1 201 . 1 1 20 20 HIS CA C 13 56.243 0.141 . 1 . . . A 20 HIS CA . 19198 1 202 . 1 1 20 20 HIS CB C 13 26.196 0.141 . 1 . . . A 20 HIS CB . 19198 1 203 . 1 1 20 20 HIS CD2 C 13 117.175 0.141 . 1 . . . A 20 HIS CD2 . 19198 1 204 . 1 1 20 20 HIS CE1 C 13 134.866 0.141 . 1 . . . A 20 HIS CE1 . 19198 1 205 . 1 1 20 20 HIS N N 15 116.419 0.109 . 1 . . . A 20 HIS N . 19198 1 206 . 1 1 21 21 PHE H H 1 7.983 0.029 . 1 . . . A 21 PHE H . 19198 1 207 . 1 1 21 21 PHE HA H 1 4.463 0.029 . 1 . . . A 21 PHE HA . 19198 1 208 . 1 1 21 21 PHE HB2 H 1 3.118 0.029 . 2 . . . A 21 PHE HB2 . 19198 1 209 . 1 1 21 21 PHE HB3 H 1 2.588 0.029 . 2 . . . A 21 PHE HB3 . 19198 1 210 . 1 1 21 21 PHE HD1 H 1 7.060 0.029 . 3 . . . A 21 PHE QD . 19198 1 211 . 1 1 21 21 PHE HD2 H 1 7.060 0.029 . 3 . . . A 21 PHE QD . 19198 1 212 . 1 1 21 21 PHE HE1 H 1 6.097 0.029 . 3 . . . A 21 PHE QE . 19198 1 213 . 1 1 21 21 PHE HE2 H 1 6.097 0.029 . 3 . . . A 21 PHE QE . 19198 1 214 . 1 1 21 21 PHE CA C 13 58.279 0.141 . 1 . . . A 21 PHE CA . 19198 1 215 . 1 1 21 21 PHE CB C 13 36.780 0.141 . 1 . . . A 21 PHE CB . 19198 1 216 . 1 1 21 21 PHE CD1 C 13 129.101 0.141 . 3 . . . A 21 PHE CD1 . 19198 1 217 . 1 1 21 21 PHE CD2 C 13 129.100 0.141 . 3 . . . A 21 PHE CD2 . 19198 1 218 . 1 1 21 21 PHE CE1 C 13 127.931 0.141 . 3 . . . A 21 PHE CE1 . 19198 1 219 . 1 1 21 21 PHE CE2 C 13 127.930 0.141 . 3 . . . A 21 PHE CE2 . 19198 1 220 . 1 1 21 21 PHE N N 15 116.347 0.109 . 1 . . . A 21 PHE N . 19198 1 221 . 1 1 22 22 SER H H 1 8.578 0.029 . 1 . . . A 22 SER H . 19198 1 222 . 1 1 22 22 SER HA H 1 4.541 0.029 . 1 . . . A 22 SER HA . 19198 1 223 . 1 1 22 22 SER HB2 H 1 3.980 0.029 . 2 . . . A 22 SER HB2 . 19198 1 224 . 1 1 22 22 SER HB3 H 1 4.027 0.029 . 2 . . . A 22 SER HB3 . 19198 1 225 . 1 1 22 22 SER CA C 13 59.013 0.141 . 1 . . . A 22 SER CA . 19198 1 226 . 1 1 22 22 SER CB C 13 60.225 0.141 . 1 . . . A 22 SER CB . 19198 1 227 . 1 1 22 22 SER N N 15 116.555 0.109 . 1 . . . A 22 SER N . 19198 1 228 . 1 1 23 23 ASP H H 1 7.246 0.029 . 1 . . . A 23 ASP H . 19198 1 229 . 1 1 23 23 ASP HA H 1 4.581 0.029 . 1 . . . A 23 ASP HA . 19198 1 230 . 1 1 23 23 ASP HB2 H 1 2.603 0.029 . 2 . . . A 23 ASP HB2 . 19198 1 231 . 1 1 23 23 ASP HB3 H 1 2.573 0.029 . 2 . . . A 23 ASP HB3 . 19198 1 232 . 1 1 23 23 ASP CA C 13 52.796 0.141 . 1 . . . A 23 ASP CA . 19198 1 233 . 1 1 23 23 ASP CB C 13 38.460 0.141 . 1 . . . A 23 ASP CB . 19198 1 234 . 1 1 23 23 ASP N N 15 118.564 0.109 . 1 . . . A 23 ASP N . 19198 1 235 . 1 1 24 24 MET H H 1 7.958 0.029 . 1 . . . A 24 MET H . 19198 1 236 . 1 1 24 24 MET HA H 1 4.207 0.029 . 1 . . . A 24 MET HA . 19198 1 237 . 1 1 24 24 MET HB2 H 1 2.219 0.029 . 2 . . . A 24 MET HB2 . 19198 1 238 . 1 1 24 24 MET HB3 H 1 1.907 0.029 . 2 . . . A 24 MET HB3 . 19198 1 239 . 1 1 24 24 MET HG2 H 1 2.257 0.029 . 2 . . . A 24 MET HG2 . 19198 1 240 . 1 1 24 24 MET HG3 H 1 2.443 0.029 . 2 . . . A 24 MET HG3 . 19198 1 241 . 1 1 24 24 MET HE1 H 1 1.547 0.029 . 1 . . . A 24 MET QE . 19198 1 242 . 1 1 24 24 MET HE2 H 1 1.547 0.029 . 1 . . . A 24 MET QE . 19198 1 243 . 1 1 24 24 MET HE3 H 1 1.547 0.029 . 1 . . . A 24 MET QE . 19198 1 244 . 1 1 24 24 MET CA C 13 53.696 0.141 . 1 . . . A 24 MET CA . 19198 1 245 . 1 1 24 24 MET CB C 13 32.101 0.141 . 1 . . . A 24 MET CB . 19198 1 246 . 1 1 24 24 MET CG C 13 29.069 0.141 . 1 . . . A 24 MET CG . 19198 1 247 . 1 1 24 24 MET CE C 13 13.396 0.141 . 1 . . . A 24 MET CE . 19198 1 248 . 1 1 24 24 MET N N 15 116.378 0.109 . 1 . . . A 24 MET N . 19198 1 249 . 1 1 25 25 GLY H H 1 7.475 0.029 . 1 . . . A 25 GLY H . 19198 1 250 . 1 1 25 25 GLY HA2 H 1 3.791 0.029 . 2 . . . A 25 GLY HA2 . 19198 1 251 . 1 1 25 25 GLY HA3 H 1 3.737 0.029 . 2 . . . A 25 GLY HA3 . 19198 1 252 . 1 1 25 25 GLY CA C 13 42.230 0.141 . 1 . . . A 25 GLY CA . 19198 1 253 . 1 1 25 25 GLY N N 15 107.470 0.109 . 1 . . . A 25 GLY N . 19198 1 254 . 1 1 26 26 GLU H H 1 8.397 0.029 . 1 . . . A 26 GLU H . 19198 1 255 . 1 1 26 26 GLU HA H 1 4.452 0.029 . 1 . . . A 26 GLU HA . 19198 1 256 . 1 1 26 26 GLU HB2 H 1 1.904 0.029 . 2 . . . A 26 GLU HB2 . 19198 1 257 . 1 1 26 26 GLU HB3 H 1 2.192 0.029 . 2 . . . A 26 GLU HB3 . 19198 1 258 . 1 1 26 26 GLU HG2 H 1 2.192 0.029 . 2 . . . A 26 GLU QG . 19198 1 259 . 1 1 26 26 GLU HG3 H 1 2.192 0.029 . 2 . . . A 26 GLU QG . 19198 1 260 . 1 1 26 26 GLU CA C 13 52.851 0.141 . 1 . . . A 26 GLU CA . 19198 1 261 . 1 1 26 26 GLU CB C 13 27.412 0.141 . 1 . . . A 26 GLU CB . 19198 1 262 . 1 1 26 26 GLU CG C 13 33.243 0.141 . 1 . . . A 26 GLU CG . 19198 1 263 . 1 1 26 26 GLU N N 15 117.869 0.109 . 1 . . . A 26 GLU N . 19198 1 264 . 1 1 27 27 ILE H H 1 8.980 0.029 . 1 . . . A 27 ILE H . 19198 1 265 . 1 1 27 27 ILE HA H 1 3.206 0.029 . 1 . . . A 27 ILE HA . 19198 1 266 . 1 1 27 27 ILE HB H 1 1.549 0.029 . 1 . . . A 27 ILE HB . 19198 1 267 . 1 1 27 27 ILE HG12 H 1 1.589 0.029 . 2 . . . A 27 ILE HG12 . 19198 1 268 . 1 1 27 27 ILE HG13 H 1 0.082 0.029 . 2 . . . A 27 ILE HG13 . 19198 1 269 . 1 1 27 27 ILE HG21 H 1 0.367 0.029 . 1 . . . A 27 ILE QG2 . 19198 1 270 . 1 1 27 27 ILE HG22 H 1 0.367 0.029 . 1 . . . A 27 ILE QG2 . 19198 1 271 . 1 1 27 27 ILE HG23 H 1 0.367 0.029 . 1 . . . A 27 ILE QG2 . 19198 1 272 . 1 1 27 27 ILE HD11 H 1 0.688 0.029 . 1 . . . A 27 ILE QD1 . 19198 1 273 . 1 1 27 27 ILE HD12 H 1 0.688 0.029 . 1 . . . A 27 ILE QD1 . 19198 1 274 . 1 1 27 27 ILE HD13 H 1 0.688 0.029 . 1 . . . A 27 ILE QD1 . 19198 1 275 . 1 1 27 27 ILE CA C 13 61.133 0.141 . 1 . . . A 27 ILE CA . 19198 1 276 . 1 1 27 27 ILE CB C 13 36.987 0.141 . 1 . . . A 27 ILE CB . 19198 1 277 . 1 1 27 27 ILE CG1 C 13 25.826 0.141 . 1 . . . A 27 ILE CG1 . 19198 1 278 . 1 1 27 27 ILE CG2 C 13 14.622 0.141 . 1 . . . A 27 ILE CG2 . 19198 1 279 . 1 1 27 27 ILE CD1 C 13 12.213 0.141 . 1 . . . A 27 ILE CD1 . 19198 1 280 . 1 1 27 27 ILE N N 15 129.460 0.109 . 1 . . . A 27 ILE N . 19198 1 281 . 1 1 28 28 ALA H H 1 9.208 0.029 . 1 . . . A 28 ALA H . 19198 1 282 . 1 1 28 28 ALA HA H 1 4.492 0.029 . 1 . . . A 28 ALA HA . 19198 1 283 . 1 1 28 28 ALA HB1 H 1 1.092 0.029 . 1 . . . A 28 ALA QB . 19198 1 284 . 1 1 28 28 ALA HB2 H 1 1.092 0.029 . 1 . . . A 28 ALA QB . 19198 1 285 . 1 1 28 28 ALA HB3 H 1 1.092 0.029 . 1 . . . A 28 ALA QB . 19198 1 286 . 1 1 28 28 ALA CA C 13 50.949 0.141 . 1 . . . A 28 ALA CA . 19198 1 287 . 1 1 28 28 ALA CB C 13 17.101 0.141 . 1 . . . A 28 ALA CB . 19198 1 288 . 1 1 28 28 ALA N N 15 131.875 0.109 . 1 . . . A 28 ALA N . 19198 1 289 . 1 1 29 29 THR H H 1 7.803 0.029 . 1 . . . A 29 THR H . 19198 1 290 . 1 1 29 29 THR HA H 1 4.346 0.029 . 1 . . . A 29 THR HA . 19198 1 291 . 1 1 29 29 THR HB H 1 3.754 0.029 . 1 . . . A 29 THR HB . 19198 1 292 . 1 1 29 29 THR HG21 H 1 1.054 0.029 . 1 . . . A 29 THR QG2 . 19198 1 293 . 1 1 29 29 THR HG22 H 1 1.054 0.029 . 1 . . . A 29 THR QG2 . 19198 1 294 . 1 1 29 29 THR HG23 H 1 1.054 0.029 . 1 . . . A 29 THR QG2 . 19198 1 295 . 1 1 29 29 THR CA C 13 58.963 0.141 . 1 . . . A 29 THR CA . 19198 1 296 . 1 1 29 29 THR CB C 13 69.475 0.141 . 1 . . . A 29 THR CB . 19198 1 297 . 1 1 29 29 THR CG2 C 13 18.966 0.141 . 1 . . . A 29 THR CG2 . 19198 1 298 . 1 1 29 29 THR N N 15 112.070 0.109 . 1 . . . A 29 THR N . 19198 1 299 . 1 1 30 30 LEU H H 1 8.388 0.029 . 1 . . . A 30 LEU H . 19198 1 300 . 1 1 30 30 LEU HA H 1 4.878 0.029 . 1 . . . A 30 LEU HA . 19198 1 301 . 1 1 30 30 LEU HB2 H 1 1.632 0.029 . 2 . . . A 30 LEU HB2 . 19198 1 302 . 1 1 30 30 LEU HB3 H 1 1.178 0.029 . 2 . . . A 30 LEU HB3 . 19198 1 303 . 1 1 30 30 LEU HG H 1 1.519 0.029 . 1 . . . A 30 LEU HG . 19198 1 304 . 1 1 30 30 LEU HD11 H 1 0.667 0.029 . 1 . . . A 30 LEU QD1 . 19198 1 305 . 1 1 30 30 LEU HD12 H 1 0.667 0.029 . 1 . . . A 30 LEU QD1 . 19198 1 306 . 1 1 30 30 LEU HD13 H 1 0.667 0.029 . 1 . . . A 30 LEU QD1 . 19198 1 307 . 1 1 30 30 LEU HD21 H 1 0.631 0.029 . 1 . . . A 30 LEU QD2 . 19198 1 308 . 1 1 30 30 LEU HD22 H 1 0.631 0.029 . 1 . . . A 30 LEU QD2 . 19198 1 309 . 1 1 30 30 LEU HD23 H 1 0.631 0.029 . 1 . . . A 30 LEU QD2 . 19198 1 310 . 1 1 30 30 LEU CA C 13 52.316 0.141 . 1 . . . A 30 LEU CA . 19198 1 311 . 1 1 30 30 LEU CB C 13 42.195 0.141 . 1 . . . A 30 LEU CB . 19198 1 312 . 1 1 30 30 LEU CG C 13 25.618 0.141 . 1 . . . A 30 LEU CG . 19198 1 313 . 1 1 30 30 LEU CD1 C 13 22.513 0.141 . 1 . . . A 30 LEU CD1 . 19198 1 314 . 1 1 30 30 LEU CD2 C 13 23.738 0.141 . 1 . . . A 30 LEU CD2 . 19198 1 315 . 1 1 30 30 LEU N N 15 129.754 0.109 . 1 . . . A 30 LEU N . 19198 1 316 . 1 1 31 31 TYR H H 1 8.837 0.029 . 1 . . . A 31 TYR H . 19198 1 317 . 1 1 31 31 TYR HA H 1 5.108 0.029 . 1 . . . A 31 TYR HA . 19198 1 318 . 1 1 31 31 TYR HB2 H 1 2.670 0.029 . 2 . . . A 31 TYR HB2 . 19198 1 319 . 1 1 31 31 TYR HB3 H 1 2.914 0.029 . 2 . . . A 31 TYR HB3 . 19198 1 320 . 1 1 31 31 TYR HD1 H 1 6.630 0.029 . 3 . . . A 31 TYR HD1 . 19198 1 321 . 1 1 31 31 TYR HE1 H 1 6.473 0.029 . 3 . . . A 31 TYR QE . 19198 1 322 . 1 1 31 31 TYR HE2 H 1 6.473 0.029 . 3 . . . A 31 TYR QE . 19198 1 323 . 1 1 31 31 TYR CA C 13 52.174 0.141 . 1 . . . A 31 TYR CA . 19198 1 324 . 1 1 31 31 TYR CB C 13 38.406 0.141 . 1 . . . A 31 TYR CB . 19198 1 325 . 1 1 31 31 TYR CD1 C 13 131.194 0.141 . 3 . . . A 31 TYR CD1 . 19198 1 326 . 1 1 31 31 TYR CE1 C 13 114.717 0.141 . 3 . . . A 31 TYR CE1 . 19198 1 327 . 1 1 31 31 TYR CE2 C 13 114.717 0.141 . 3 . . . A 31 TYR CE2 . 19198 1 328 . 1 1 31 31 TYR N N 15 124.642 0.109 . 1 . . . A 31 TYR N . 19198 1 329 . 1 1 32 32 VAL H H 1 8.684 0.029 . 1 . . . A 32 VAL H . 19198 1 330 . 1 1 32 32 VAL HA H 1 4.083 0.029 . 1 . . . A 32 VAL HA . 19198 1 331 . 1 1 32 32 VAL HB H 1 1.871 0.029 . 1 . . . A 32 VAL HB . 19198 1 332 . 1 1 32 32 VAL HG11 H 1 0.805 0.029 . 2 . . . A 32 VAL QG1 . 19198 1 333 . 1 1 32 32 VAL HG12 H 1 0.805 0.029 . 2 . . . A 32 VAL QG1 . 19198 1 334 . 1 1 32 32 VAL HG13 H 1 0.805 0.029 . 2 . . . A 32 VAL QG1 . 19198 1 335 . 1 1 32 32 VAL HG21 H 1 0.864 0.029 . 2 . . . A 32 VAL QG2 . 19198 1 336 . 1 1 32 32 VAL HG22 H 1 0.864 0.029 . 2 . . . A 32 VAL QG2 . 19198 1 337 . 1 1 32 32 VAL HG23 H 1 0.864 0.029 . 2 . . . A 32 VAL QG2 . 19198 1 338 . 1 1 32 32 VAL CA C 13 59.645 0.141 . 1 . . . A 32 VAL CA . 19198 1 339 . 1 1 32 32 VAL CB C 13 32.016 0.141 . 1 . . . A 32 VAL CB . 19198 1 340 . 1 1 32 32 VAL CG1 C 13 19.282 0.141 . 1 . . . A 32 VAL CG1 . 19198 1 341 . 1 1 32 32 VAL CG2 C 13 19.591 0.141 . 1 . . . A 32 VAL CG2 . 19198 1 342 . 1 1 32 32 VAL N N 15 121.165 0.109 . 1 . . . A 32 VAL N . 19198 1 343 . 1 1 33 33 GLN H H 1 9.633 0.029 . 1 . . . A 33 GLN H . 19198 1 344 . 1 1 33 33 GLN HA H 1 4.462 0.029 . 1 . . . A 33 GLN HA . 19198 1 345 . 1 1 33 33 GLN HB2 H 1 2.010 0.029 . 2 . . . A 33 GLN HB2 . 19198 1 346 . 1 1 33 33 GLN HB3 H 1 1.889 0.029 . 2 . . . A 33 GLN HB3 . 19198 1 347 . 1 1 33 33 GLN HG2 H 1 2.369 0.029 . 2 . . . A 33 GLN HG2 . 19198 1 348 . 1 1 33 33 GLN HG3 H 1 2.263 0.029 . 2 . . . A 33 GLN HG3 . 19198 1 349 . 1 1 33 33 GLN HE21 H 1 6.796 0.029 . 1 . . . A 33 GLN HE21 . 19198 1 350 . 1 1 33 33 GLN HE22 H 1 7.475 0.029 . 1 . . . A 33 GLN HE22 . 19198 1 351 . 1 1 33 33 GLN CA C 13 54.266 0.141 . 1 . . . A 33 GLN CA . 19198 1 352 . 1 1 33 33 GLN CB C 13 28.717 0.141 . 1 . . . A 33 GLN CB . 19198 1 353 . 1 1 33 33 GLN CG C 13 31.805 0.141 . 1 . . . A 33 GLN CG . 19198 1 354 . 1 1 33 33 GLN N N 15 126.911 0.109 . 1 . . . A 33 GLN N . 19198 1 355 . 1 1 33 33 GLN NE2 N 15 111.473 0.109 . 1 . . . A 33 GLN NE2 . 19198 1 356 . 1 1 34 34 VAL H H 1 7.840 0.029 . 1 . . . A 34 VAL H . 19198 1 357 . 1 1 34 34 VAL HA H 1 4.313 0.029 . 1 . . . A 34 VAL HA . 19198 1 358 . 1 1 34 34 VAL HB H 1 1.837 0.029 . 1 . . . A 34 VAL HB . 19198 1 359 . 1 1 34 34 VAL HG11 H 1 0.805 0.029 . 2 . . . A 34 VAL QG1 . 19198 1 360 . 1 1 34 34 VAL HG12 H 1 0.805 0.029 . 2 . . . A 34 VAL QG1 . 19198 1 361 . 1 1 34 34 VAL HG13 H 1 0.805 0.029 . 2 . . . A 34 VAL QG1 . 19198 1 362 . 1 1 34 34 VAL HG21 H 1 0.846 0.029 . 2 . . . A 34 VAL QG2 . 19198 1 363 . 1 1 34 34 VAL HG22 H 1 0.846 0.029 . 2 . . . A 34 VAL QG2 . 19198 1 364 . 1 1 34 34 VAL HG23 H 1 0.846 0.029 . 2 . . . A 34 VAL QG2 . 19198 1 365 . 1 1 34 34 VAL CA C 13 59.270 0.141 . 1 . . . A 34 VAL CA . 19198 1 366 . 1 1 34 34 VAL CB C 13 33.725 0.141 . 1 . . . A 34 VAL CB . 19198 1 367 . 1 1 34 34 VAL CG1 C 13 19.366 0.141 . 1 . . . A 34 VAL CG1 . 19198 1 368 . 1 1 34 34 VAL CG2 C 13 18.614 0.141 . 1 . . . A 34 VAL CG2 . 19198 1 369 . 1 1 34 34 VAL N N 15 117.041 0.109 . 1 . . . A 34 VAL N . 19198 1 370 . 1 1 35 35 TYR H H 1 8.580 0.029 . 1 . . . A 35 TYR H . 19198 1 371 . 1 1 35 35 TYR HA H 1 5.415 0.029 . 1 . . . A 35 TYR HA . 19198 1 372 . 1 1 35 35 TYR HB2 H 1 2.849 0.029 . 2 . . . A 35 TYR HB2 . 19198 1 373 . 1 1 35 35 TYR HB3 H 1 2.671 0.029 . 2 . . . A 35 TYR HB3 . 19198 1 374 . 1 1 35 35 TYR HD1 H 1 7.151 0.029 . 3 . . . A 35 TYR QD . 19198 1 375 . 1 1 35 35 TYR HD2 H 1 7.151 0.029 . 3 . . . A 35 TYR QD . 19198 1 376 . 1 1 35 35 TYR HE1 H 1 6.641 0.029 . 3 . . . A 35 TYR QE . 19198 1 377 . 1 1 35 35 TYR HE2 H 1 6.641 0.029 . 3 . . . A 35 TYR QE . 19198 1 378 . 1 1 35 35 TYR CA C 13 52.594 0.141 . 1 . . . A 35 TYR CA . 19198 1 379 . 1 1 35 35 TYR CB C 13 38.583 0.141 . 1 . . . A 35 TYR CB . 19198 1 380 . 1 1 35 35 TYR CD2 C 13 131.208 0.141 . 3 . . . A 35 TYR CD2 . 19198 1 381 . 1 1 35 35 TYR CE2 C 13 115.435 0.141 . 3 . . . A 35 TYR CE2 . 19198 1 382 . 1 1 35 35 TYR N N 15 128.263 0.109 . 1 . . . A 35 TYR N . 19198 1 383 . 1 1 36 36 GLU H H 1 8.118 0.029 . 1 . . . A 36 GLU H . 19198 1 384 . 1 1 36 36 GLU HA H 1 4.403 0.029 . 1 . . . A 36 GLU HA . 19198 1 385 . 1 1 36 36 GLU HB2 H 1 1.719 0.029 . 2 . . . A 36 GLU HB2 . 19198 1 386 . 1 1 36 36 GLU HB3 H 1 1.918 0.029 . 2 . . . A 36 GLU HB3 . 19198 1 387 . 1 1 36 36 GLU HG2 H 1 2.052 0.029 . 2 . . . A 36 GLU HG2 . 19198 1 388 . 1 1 36 36 GLU HG3 H 1 2.112 0.029 . 2 . . . A 36 GLU HG3 . 19198 1 389 . 1 1 36 36 GLU CA C 13 51.421 0.141 . 1 . . . A 36 GLU CA . 19198 1 390 . 1 1 36 36 GLU CB C 13 28.035 0.141 . 1 . . . A 36 GLU CB . 19198 1 391 . 1 1 36 36 GLU CG C 13 33.103 0.141 . 1 . . . A 36 GLU CG . 19198 1 392 . 1 1 36 36 GLU N N 15 129.574 0.109 . 1 . . . A 36 GLU N . 19198 1 393 . 1 1 37 37 SER H H 1 8.312 0.029 . 1 . . . A 37 SER H . 19198 1 394 . 1 1 37 37 SER HA H 1 3.754 0.029 . 1 . . . A 37 SER HA . 19198 1 395 . 1 1 37 37 SER HB2 H 1 3.913 0.029 . 2 . . . A 37 SER HB2 . 19198 1 396 . 1 1 37 37 SER HB3 H 1 3.754 0.029 . 2 . . . A 37 SER HB3 . 19198 1 397 . 1 1 37 37 SER CA C 13 57.817 0.141 . 1 . . . A 37 SER CA . 19198 1 398 . 1 1 37 37 SER CB C 13 60.041 0.141 . 1 . . . A 37 SER CB . 19198 1 399 . 1 1 37 37 SER N N 15 121.805 0.109 . 1 . . . A 37 SER N . 19198 1 400 . 1 1 38 38 SER H H 1 8.389 0.029 . 1 . . . A 38 SER H . 19198 1 401 . 1 1 38 38 SER HA H 1 4.214 0.029 . 1 . . . A 38 SER HA . 19198 1 402 . 1 1 38 38 SER HB2 H 1 3.861 0.029 . 2 . . . A 38 SER QB . 19198 1 403 . 1 1 38 38 SER HB3 H 1 3.861 0.029 . 2 . . . A 38 SER QB . 19198 1 404 . 1 1 38 38 SER CA C 13 58.237 0.141 . 1 . . . A 38 SER CA . 19198 1 405 . 1 1 38 38 SER CB C 13 60.243 0.141 . 1 . . . A 38 SER CB . 19198 1 406 . 1 1 38 38 SER N N 15 116.337 0.109 . 1 . . . A 38 SER N . 19198 1 407 . 1 1 39 39 LEU H H 1 6.905 0.029 . 1 . . . A 39 LEU H . 19198 1 408 . 1 1 39 39 LEU HA H 1 4.414 0.029 . 1 . . . A 39 LEU HA . 19198 1 409 . 1 1 39 39 LEU HB2 H 1 1.577 0.029 . 2 . . . A 39 LEU HB2 . 19198 1 410 . 1 1 39 39 LEU HB3 H 1 1.405 0.029 . 2 . . . A 39 LEU HB3 . 19198 1 411 . 1 1 39 39 LEU HG H 1 1.468 0.029 . 1 . . . A 39 LEU HG . 19198 1 412 . 1 1 39 39 LEU HD11 H 1 0.764 0.029 . 2 . . . A 39 LEU QD1 . 19198 1 413 . 1 1 39 39 LEU HD12 H 1 0.764 0.029 . 2 . . . A 39 LEU QD1 . 19198 1 414 . 1 1 39 39 LEU HD13 H 1 0.764 0.029 . 2 . . . A 39 LEU QD1 . 19198 1 415 . 1 1 39 39 LEU HD21 H 1 0.749 0.029 . 2 . . . A 39 LEU QD2 . 19198 1 416 . 1 1 39 39 LEU HD22 H 1 0.749 0.029 . 2 . . . A 39 LEU QD2 . 19198 1 417 . 1 1 39 39 LEU HD23 H 1 0.749 0.029 . 2 . . . A 39 LEU QD2 . 19198 1 418 . 1 1 39 39 LEU CA C 13 51.365 0.141 . 1 . . . A 39 LEU CA . 19198 1 419 . 1 1 39 39 LEU CB C 13 40.504 0.141 . 1 . . . A 39 LEU CB . 19198 1 420 . 1 1 39 39 LEU CG C 13 24.148 0.141 . 1 . . . A 39 LEU CG . 19198 1 421 . 1 1 39 39 LEU CD1 C 13 22.752 0.141 . 2 . . . A 39 LEU CD1 . 19198 1 422 . 1 1 39 39 LEU CD2 C 13 20.029 0.141 . 2 . . . A 39 LEU CD2 . 19198 1 423 . 1 1 39 39 LEU N N 15 119.070 0.109 . 1 . . . A 39 LEU N . 19198 1 424 . 1 1 40 40 GLU H H 1 7.814 0.029 . 1 . . . A 40 GLU H . 19198 1 425 . 1 1 40 40 GLU HA H 1 3.781 0.029 . 1 . . . A 40 GLU HA . 19198 1 426 . 1 1 40 40 GLU HB2 H 1 2.380 0.029 . 2 . . . A 40 GLU HB2 . 19198 1 427 . 1 1 40 40 GLU HB3 H 1 2.186 0.029 . 2 . . . A 40 GLU HB3 . 19198 1 428 . 1 1 40 40 GLU HG2 H 1 2.425 0.029 . 2 . . . A 40 GLU HG2 . 19198 1 429 . 1 1 40 40 GLU HG3 H 1 2.380 0.029 . 2 . . . A 40 GLU HG3 . 19198 1 430 . 1 1 40 40 GLU CA C 13 54.621 0.141 . 1 . . . A 40 GLU CA . 19198 1 431 . 1 1 40 40 GLU CB C 13 26.307 0.141 . 1 . . . A 40 GLU CB . 19198 1 432 . 1 1 40 40 GLU CG C 13 36.115 0.141 . 1 . . . A 40 GLU CG . 19198 1 433 . 1 1 40 40 GLU N N 15 118.837 0.109 . 1 . . . A 40 GLU N . 19198 1 434 . 1 1 41 41 SER H H 1 7.452 0.029 . 1 . . . A 41 SER H . 19198 1 435 . 1 1 41 41 SER HA H 1 5.730 0.029 . 1 . . . A 41 SER HA . 19198 1 436 . 1 1 41 41 SER HB2 H 1 3.579 0.029 . 2 . . . A 41 SER HB2 . 19198 1 437 . 1 1 41 41 SER HB3 H 1 3.803 0.029 . 2 . . . A 41 SER HB3 . 19198 1 438 . 1 1 41 41 SER CA C 13 52.696 0.141 . 1 . . . A 41 SER CA . 19198 1 439 . 1 1 41 41 SER CB C 13 63.820 0.141 . 1 . . . A 41 SER CB . 19198 1 440 . 1 1 41 41 SER N N 15 110.546 0.109 . 1 . . . A 41 SER N . 19198 1 441 . 1 1 42 42 LEU H H 1 9.281 0.029 . 1 . . . A 42 LEU H . 19198 1 442 . 1 1 42 42 LEU HA H 1 5.384 0.029 . 1 . . . A 42 LEU HA . 19198 1 443 . 1 1 42 42 LEU HB2 H 1 2.040 0.029 . 2 . . . A 42 LEU HB2 . 19198 1 444 . 1 1 42 42 LEU HB3 H 1 1.590 0.029 . 2 . . . A 42 LEU HB3 . 19198 1 445 . 1 1 42 42 LEU HG H 1 1.695 0.029 . 1 . . . A 42 LEU HG . 19198 1 446 . 1 1 42 42 LEU HD11 H 1 0.770 0.029 . 2 . . . A 42 LEU QD1 . 19198 1 447 . 1 1 42 42 LEU HD12 H 1 0.770 0.029 . 2 . . . A 42 LEU QD1 . 19198 1 448 . 1 1 42 42 LEU HD13 H 1 0.770 0.029 . 2 . . . A 42 LEU QD1 . 19198 1 449 . 1 1 42 42 LEU HD21 H 1 0.886 0.029 . 2 . . . A 42 LEU QD2 . 19198 1 450 . 1 1 42 42 LEU HD22 H 1 0.886 0.029 . 2 . . . A 42 LEU QD2 . 19198 1 451 . 1 1 42 42 LEU HD23 H 1 0.886 0.029 . 2 . . . A 42 LEU QD2 . 19198 1 452 . 1 1 42 42 LEU CA C 13 51.231 0.141 . 1 . . . A 42 LEU CA . 19198 1 453 . 1 1 42 42 LEU CB C 13 46.451 0.141 . 1 . . . A 42 LEU CB . 19198 1 454 . 1 1 42 42 LEU CG C 13 25.056 0.141 . 1 . . . A 42 LEU CG . 19198 1 455 . 1 1 42 42 LEU CD1 C 13 23.926 0.141 . 2 . . . A 42 LEU CD1 . 19198 1 456 . 1 1 42 42 LEU CD2 C 13 23.130 0.141 . 2 . . . A 42 LEU CD2 . 19198 1 457 . 1 1 42 42 LEU N N 15 124.649 0.109 . 1 . . . A 42 LEU N . 19198 1 458 . 1 1 43 43 VAL H H 1 8.849 0.029 . 1 . . . A 43 VAL H . 19198 1 459 . 1 1 43 43 VAL HA H 1 4.629 0.029 . 1 . . . A 43 VAL HA . 19198 1 460 . 1 1 43 43 VAL HB H 1 1.852 0.029 . 1 . . . A 43 VAL HB . 19198 1 461 . 1 1 43 43 VAL HG11 H 1 0.977 0.029 . 2 . . . A 43 VAL QQG . 19198 1 462 . 1 1 43 43 VAL HG12 H 1 0.977 0.029 . 2 . . . A 43 VAL QQG . 19198 1 463 . 1 1 43 43 VAL HG13 H 1 0.977 0.029 . 2 . . . A 43 VAL QQG . 19198 1 464 . 1 1 43 43 VAL HG21 H 1 0.977 0.029 . 2 . . . A 43 VAL QQG . 19198 1 465 . 1 1 43 43 VAL HG22 H 1 0.977 0.029 . 2 . . . A 43 VAL QQG . 19198 1 466 . 1 1 43 43 VAL HG23 H 1 0.977 0.029 . 2 . . . A 43 VAL QQG . 19198 1 467 . 1 1 43 43 VAL CA C 13 58.185 0.141 . 1 . . . A 43 VAL CA . 19198 1 468 . 1 1 43 43 VAL CB C 13 33.136 0.141 . 1 . . . A 43 VAL CB . 19198 1 469 . 1 1 43 43 VAL CG1 C 13 18.580 0.141 . 2 . . . A 43 VAL CG1 . 19198 1 470 . 1 1 43 43 VAL CG2 C 13 18.580 0.141 . 2 . . . A 43 VAL CG2 . 19198 1 471 . 1 1 43 43 VAL N N 15 125.093 0.109 . 1 . . . A 43 VAL N . 19198 1 472 . 1 1 44 44 GLY H H 1 7.156 0.029 . 1 . . . A 44 GLY H . 19198 1 473 . 1 1 44 44 GLY HA2 H 1 3.545 0.029 . 2 . . . A 44 GLY HA2 . 19198 1 474 . 1 1 44 44 GLY HA3 H 1 4.053 0.029 . 2 . . . A 44 GLY HA3 . 19198 1 475 . 1 1 44 44 GLY CA C 13 43.685 0.141 . 1 . . . A 44 GLY CA . 19198 1 476 . 1 1 44 44 GLY N N 15 114.807 0.109 . 1 . . . A 44 GLY N . 19198 1 477 . 1 1 45 45 GLY H H 1 8.582 0.029 . 1 . . . A 45 GLY H . 19198 1 478 . 1 1 45 45 GLY HA2 H 1 3.533 0.029 . 2 . . . A 45 GLY HA2 . 19198 1 479 . 1 1 45 45 GLY HA3 H 1 4.506 0.029 . 2 . . . A 45 GLY HA3 . 19198 1 480 . 1 1 45 45 GLY CA C 13 43.268 0.141 . 1 . . . A 45 GLY CA . 19198 1 481 . 1 1 45 45 GLY N N 15 117.443 0.109 . 1 . . . A 45 GLY N . 19198 1 482 . 1 1 46 46 VAL H H 1 8.875 0.029 . 1 . . . A 46 VAL H . 19198 1 483 . 1 1 46 46 VAL HA H 1 4.726 0.029 . 1 . . . A 46 VAL HA . 19198 1 484 . 1 1 46 46 VAL HB H 1 1.129 0.029 . 1 . . . A 46 VAL HB . 19198 1 485 . 1 1 46 46 VAL HG11 H 1 -0.093 0.029 . 2 . . . A 46 VAL QG1 . 19198 1 486 . 1 1 46 46 VAL HG12 H 1 -0.093 0.029 . 2 . . . A 46 VAL QG1 . 19198 1 487 . 1 1 46 46 VAL HG13 H 1 -0.093 0.029 . 2 . . . A 46 VAL QG1 . 19198 1 488 . 1 1 46 46 VAL HG21 H 1 -0.184 0.029 . 2 . . . A 46 VAL QG2 . 19198 1 489 . 1 1 46 46 VAL HG22 H 1 -0.184 0.029 . 2 . . . A 46 VAL QG2 . 19198 1 490 . 1 1 46 46 VAL HG23 H 1 -0.184 0.029 . 2 . . . A 46 VAL QG2 . 19198 1 491 . 1 1 46 46 VAL CA C 13 56.843 0.141 . 1 . . . A 46 VAL CA . 19198 1 492 . 1 1 46 46 VAL CB C 13 33.568 0.141 . 1 . . . A 46 VAL CB . 19198 1 493 . 1 1 46 46 VAL CG1 C 13 18.814 0.141 . 2 . . . A 46 VAL CG1 . 19198 1 494 . 1 1 46 46 VAL CG2 C 13 17.856 0.141 . 2 . . . A 46 VAL CG2 . 19198 1 495 . 1 1 46 46 VAL N N 15 117.075 0.109 . 1 . . . A 46 VAL N . 19198 1 496 . 1 1 47 47 ILE H H 1 8.765 0.029 . 1 . . . A 47 ILE H . 19198 1 497 . 1 1 47 47 ILE HA H 1 4.778 0.029 . 1 . . . A 47 ILE HA . 19198 1 498 . 1 1 47 47 ILE HB H 1 1.479 0.029 . 1 . . . A 47 ILE HB . 19198 1 499 . 1 1 47 47 ILE HG12 H 1 1.296 0.029 . 2 . . . A 47 ILE HG12 . 19198 1 500 . 1 1 47 47 ILE HG13 H 1 0.286 0.029 . 2 . . . A 47 ILE HG13 . 19198 1 501 . 1 1 47 47 ILE HG21 H 1 0.680 0.029 . 1 . . . A 47 ILE QG2 . 19198 1 502 . 1 1 47 47 ILE HG22 H 1 0.680 0.029 . 1 . . . A 47 ILE QG2 . 19198 1 503 . 1 1 47 47 ILE HG23 H 1 0.680 0.029 . 1 . . . A 47 ILE QG2 . 19198 1 504 . 1 1 47 47 ILE HD11 H 1 0.594 0.029 . 1 . . . A 47 ILE QD1 . 19198 1 505 . 1 1 47 47 ILE HD12 H 1 0.594 0.029 . 1 . . . A 47 ILE QD1 . 19198 1 506 . 1 1 47 47 ILE HD13 H 1 0.594 0.029 . 1 . . . A 47 ILE QD1 . 19198 1 507 . 1 1 47 47 ILE CB C 13 37.664 0.141 . 1 . . . A 47 ILE CB . 19198 1 508 . 1 1 47 47 ILE CG1 C 13 25.232 0.141 . 1 . . . A 47 ILE CG1 . 19198 1 509 . 1 1 47 47 ILE CG2 C 13 14.728 0.141 . 1 . . . A 47 ILE CG2 . 19198 1 510 . 1 1 47 47 ILE CD1 C 13 10.904 0.141 . 1 . . . A 47 ILE CD1 . 19198 1 511 . 1 1 47 47 ILE N N 15 125.899 0.109 . 1 . . . A 47 ILE N . 19198 1 512 . 1 1 48 48 PHE H H 1 9.269 0.029 . 1 . . . A 48 PHE H . 19198 1 513 . 1 1 48 48 PHE HA H 1 4.777 0.029 . 1 . . . A 48 PHE HA . 19198 1 514 . 1 1 48 48 PHE HB2 H 1 3.091 0.029 . 2 . . . A 48 PHE HB2 . 19198 1 515 . 1 1 48 48 PHE HB3 H 1 3.430 0.029 . 2 . . . A 48 PHE HB3 . 19198 1 516 . 1 1 48 48 PHE HD1 H 1 6.938 0.029 . 3 . . . A 48 PHE QD . 19198 1 517 . 1 1 48 48 PHE HD2 H 1 6.938 0.029 . 3 . . . A 48 PHE QD . 19198 1 518 . 1 1 48 48 PHE HE1 H 1 6.884 0.029 . 3 . . . A 48 PHE QE . 19198 1 519 . 1 1 48 48 PHE HE2 H 1 6.884 0.029 . 3 . . . A 48 PHE QE . 19198 1 520 . 1 1 48 48 PHE HZ H 1 6.785 0.029 . 1 . . . A 48 PHE HZ . 19198 1 521 . 1 1 48 48 PHE CA C 13 56.162 0.141 . 1 . . . A 48 PHE CA . 19198 1 522 . 1 1 48 48 PHE CB C 13 38.742 0.141 . 1 . . . A 48 PHE CB . 19198 1 523 . 1 1 48 48 PHE CD1 C 13 128.007 0.141 . 3 . . . A 48 PHE CD1 . 19198 1 524 . 1 1 48 48 PHE CD2 C 13 128.010 0.141 . 3 . . . A 48 PHE CD2 . 19198 1 525 . 1 1 48 48 PHE CE1 C 13 128.750 0.141 . 3 . . . A 48 PHE CE1 . 19198 1 526 . 1 1 48 48 PHE CE2 C 13 128.753 0.141 . 3 . . . A 48 PHE CE2 . 19198 1 527 . 1 1 48 48 PHE CZ C 13 125.760 0.141 . 1 . . . A 48 PHE CZ . 19198 1 528 . 1 1 48 48 PHE N N 15 126.624 0.109 . 1 . . . A 48 PHE N . 19198 1 529 . 1 1 49 49 GLU H H 1 9.331 0.029 . 1 . . . A 49 GLU H . 19198 1 530 . 1 1 49 49 GLU HA H 1 4.021 0.029 . 1 . . . A 49 GLU HA . 19198 1 531 . 1 1 49 49 GLU HB2 H 1 2.123 0.029 . 2 . . . A 49 GLU HB2 . 19198 1 532 . 1 1 49 49 GLU HB3 H 1 1.915 0.029 . 2 . . . A 49 GLU HB3 . 19198 1 533 . 1 1 49 49 GLU HG2 H 1 2.256 0.029 . 2 . . . A 49 GLU HG2 . 19198 1 534 . 1 1 49 49 GLU HG3 H 1 2.116 0.029 . 2 . . . A 49 GLU HG3 . 19198 1 535 . 1 1 49 49 GLU CA C 13 56.574 0.141 . 1 . . . A 49 GLU CA . 19198 1 536 . 1 1 49 49 GLU CB C 13 26.939 0.141 . 1 . . . A 49 GLU CB . 19198 1 537 . 1 1 49 49 GLU CG C 13 32.882 0.141 . 1 . . . A 49 GLU CG . 19198 1 538 . 1 1 49 49 GLU N N 15 123.550 0.109 . 1 . . . A 49 GLU N . 19198 1 539 . 1 1 50 50 ASP H H 1 7.674 0.029 . 1 . . . A 50 ASP H . 19198 1 540 . 1 1 50 50 ASP HA H 1 4.443 0.029 . 1 . . . A 50 ASP HA . 19198 1 541 . 1 1 50 50 ASP HB2 H 1 3.103 0.029 . 2 . . . A 50 ASP HB2 . 19198 1 542 . 1 1 50 50 ASP HB3 H 1 2.561 0.029 . 2 . . . A 50 ASP HB3 . 19198 1 543 . 1 1 50 50 ASP CA C 13 51.307 0.141 . 1 . . . A 50 ASP CA . 19198 1 544 . 1 1 50 50 ASP CB C 13 38.062 0.141 . 1 . . . A 50 ASP CB . 19198 1 545 . 1 1 50 50 ASP N N 15 113.383 0.109 . 1 . . . A 50 ASP N . 19198 1 546 . 1 1 51 51 GLY H H 1 7.884 0.029 . 1 . . . A 51 GLY H . 19198 1 547 . 1 1 51 51 GLY HA2 H 1 3.571 0.029 . 2 . . . A 51 GLY HA2 . 19198 1 548 . 1 1 51 51 GLY HA3 H 1 4.502 0.029 . 2 . . . A 51 GLY HA3 . 19198 1 549 . 1 1 51 51 GLY CA C 13 42.245 0.141 . 1 . . . A 51 GLY CA . 19198 1 550 . 1 1 51 51 GLY N N 15 107.745 0.109 . 1 . . . A 51 GLY N . 19198 1 551 . 1 1 52 52 ARG H H 1 7.880 0.029 . 1 . . . A 52 ARG H . 19198 1 552 . 1 1 52 52 ARG HA H 1 4.292 0.029 . 1 . . . A 52 ARG HA . 19198 1 553 . 1 1 52 52 ARG HB2 H 1 2.061 0.029 . 2 . . . A 52 ARG HB2 . 19198 1 554 . 1 1 52 52 ARG HB3 H 1 1.617 0.029 . 2 . . . A 52 ARG HB3 . 19198 1 555 . 1 1 52 52 ARG HG2 H 1 1.735 0.029 . 2 . . . A 52 ARG HG2 . 19198 1 556 . 1 1 52 52 ARG HG3 H 1 1.685 0.029 . 2 . . . A 52 ARG HG3 . 19198 1 557 . 1 1 52 52 ARG HD2 H 1 3.138 0.029 . 2 . . . A 52 ARG HD2 . 19198 1 558 . 1 1 52 52 ARG HD3 H 1 3.258 0.029 . 2 . . . A 52 ARG HD3 . 19198 1 559 . 1 1 52 52 ARG CA C 13 55.314 0.141 . 1 . . . A 52 ARG CA . 19198 1 560 . 1 1 52 52 ARG CB C 13 29.759 0.141 . 1 . . . A 52 ARG CB . 19198 1 561 . 1 1 52 52 ARG CG C 13 24.456 0.141 . 1 . . . A 52 ARG CG . 19198 1 562 . 1 1 52 52 ARG CD C 13 41.278 0.141 . 1 . . . A 52 ARG CD . 19198 1 563 . 1 1 52 52 ARG N N 15 120.713 0.109 . 1 . . . A 52 ARG N . 19198 1 564 . 1 1 53 53 HIS H H 1 8.961 0.029 . 1 . . . A 53 HIS H . 19198 1 565 . 1 1 53 53 HIS HA H 1 5.671 0.029 . 1 . . . A 53 HIS HA . 19198 1 566 . 1 1 53 53 HIS HB2 H 1 3.343 0.029 . 2 . . . A 53 HIS HB2 . 19198 1 567 . 1 1 53 53 HIS HB3 H 1 3.129 0.029 . 2 . . . A 53 HIS HB3 . 19198 1 568 . 1 1 53 53 HIS HD2 H 1 7.353 0.029 . 1 . . . A 53 HIS HD2 . 19198 1 569 . 1 1 53 53 HIS HE1 H 1 8.423 0.029 . 1 . . . A 53 HIS HE1 . 19198 1 570 . 1 1 53 53 HIS CA C 13 50.579 0.141 . 1 . . . A 53 HIS CA . 19198 1 571 . 1 1 53 53 HIS CB C 13 29.165 0.141 . 1 . . . A 53 HIS CB . 19198 1 572 . 1 1 53 53 HIS CD2 C 13 117.936 0.141 . 1 . . . A 53 HIS CD2 . 19198 1 573 . 1 1 53 53 HIS CE1 C 13 133.977 0.141 . 1 . . . A 53 HIS CE1 . 19198 1 574 . 1 1 53 53 HIS N N 15 120.216 0.109 . 1 . . . A 53 HIS N . 19198 1 575 . 1 1 54 54 TYR H H 1 9.259 0.029 . 1 . . . A 54 TYR H . 19198 1 576 . 1 1 54 54 TYR HA H 1 5.574 0.029 . 1 . . . A 54 TYR HA . 19198 1 577 . 1 1 54 54 TYR HB2 H 1 2.589 0.029 . 2 . . . A 54 TYR HB2 . 19198 1 578 . 1 1 54 54 TYR HB3 H 1 3.069 0.029 . 2 . . . A 54 TYR HB3 . 19198 1 579 . 1 1 54 54 TYR HD1 H 1 6.955 0.029 . 3 . . . A 54 TYR QD . 19198 1 580 . 1 1 54 54 TYR HD2 H 1 6.955 0.029 . 3 . . . A 54 TYR QD . 19198 1 581 . 1 1 54 54 TYR HE1 H 1 6.736 0.029 . 3 . . . A 54 TYR QE . 19198 1 582 . 1 1 54 54 TYR HE2 H 1 6.736 0.029 . 3 . . . A 54 TYR QE . 19198 1 583 . 1 1 54 54 TYR CA C 13 53.397 0.141 . 1 . . . A 54 TYR CA . 19198 1 584 . 1 1 54 54 TYR CB C 13 39.788 0.141 . 1 . . . A 54 TYR CB . 19198 1 585 . 1 1 54 54 TYR CD1 C 13 129.970 0.141 . 3 . . . A 54 TYR CD1 . 19198 1 586 . 1 1 54 54 TYR CD2 C 13 129.970 0.141 . 3 . . . A 54 TYR CD2 . 19198 1 587 . 1 1 54 54 TYR CE1 C 13 115.787 0.141 . 3 . . . A 54 TYR CE1 . 19198 1 588 . 1 1 54 54 TYR CE2 C 13 115.788 0.141 . 3 . . . A 54 TYR CE2 . 19198 1 589 . 1 1 54 54 TYR N N 15 121.480 0.109 . 1 . . . A 54 TYR N . 19198 1 590 . 1 1 55 55 THR H H 1 9.242 0.029 . 1 . . . A 55 THR H . 19198 1 591 . 1 1 55 55 THR HA H 1 5.013 0.029 . 1 . . . A 55 THR HA . 19198 1 592 . 1 1 55 55 THR HB H 1 4.344 0.029 . 1 . . . A 55 THR HB . 19198 1 593 . 1 1 55 55 THR HG21 H 1 1.142 0.029 . 1 . . . A 55 THR QG2 . 19198 1 594 . 1 1 55 55 THR HG22 H 1 1.142 0.029 . 1 . . . A 55 THR QG2 . 19198 1 595 . 1 1 55 55 THR HG23 H 1 1.142 0.029 . 1 . . . A 55 THR QG2 . 19198 1 596 . 1 1 55 55 THR CA C 13 57.994 0.141 . 1 . . . A 55 THR CA . 19198 1 597 . 1 1 55 55 THR CB C 13 67.733 0.141 . 1 . . . A 55 THR CB . 19198 1 598 . 1 1 55 55 THR CG2 C 13 19.383 0.141 . 1 . . . A 55 THR CG2 . 19198 1 599 . 1 1 55 55 THR N N 15 113.818 0.109 . 1 . . . A 55 THR N . 19198 1 600 . 1 1 56 56 PHE HA H 1 5.987 0.029 . 1 . . . A 56 PHE HA . 19198 1 601 . 1 1 56 56 PHE HB2 H 1 3.427 0.029 . 2 . . . A 56 PHE HB2 . 19198 1 602 . 1 1 56 56 PHE HB3 H 1 2.857 0.029 . 2 . . . A 56 PHE HB3 . 19198 1 603 . 1 1 56 56 PHE HD1 H 1 6.628 0.029 . 3 . . . A 56 PHE QD . 19198 1 604 . 1 1 56 56 PHE HD2 H 1 6.628 0.029 . 3 . . . A 56 PHE QD . 19198 1 605 . 1 1 56 56 PHE HE1 H 1 6.100 0.029 . 3 . . . A 56 PHE QE . 19198 1 606 . 1 1 56 56 PHE HE2 H 1 6.100 0.029 . 3 . . . A 56 PHE QE . 19198 1 607 . 1 1 56 56 PHE HZ H 1 7.151 0.029 . 1 . . . A 56 PHE HZ . 19198 1 608 . 1 1 56 56 PHE CA C 13 53.946 0.141 . 1 . . . A 56 PHE CA . 19198 1 609 . 1 1 56 56 PHE CB C 13 42.416 0.141 . 1 . . . A 56 PHE CB . 19198 1 610 . 1 1 56 56 PHE CD2 C 13 126.087 0.141 . 3 . . . A 56 PHE CD2 . 19198 1 611 . 1 1 56 56 PHE CE1 C 13 127.894 0.141 . 3 . . . A 56 PHE CE1 . 19198 1 612 . 1 1 56 56 PHE CZ C 13 127.158 0.141 . 1 . . . A 56 PHE CZ . 19198 1 613 . 1 1 57 57 VAL H H 1 9.076 0.029 . 1 . . . A 57 VAL H . 19198 1 614 . 1 1 57 57 VAL HA H 1 4.683 0.029 . 1 . . . A 57 VAL HA . 19198 1 615 . 1 1 57 57 VAL HB H 1 1.971 0.029 . 1 . . . A 57 VAL HB . 19198 1 616 . 1 1 57 57 VAL HG11 H 1 0.952 0.029 . 2 . . . A 57 VAL QG1 . 19198 1 617 . 1 1 57 57 VAL HG12 H 1 0.952 0.029 . 2 . . . A 57 VAL QG1 . 19198 1 618 . 1 1 57 57 VAL HG13 H 1 0.952 0.029 . 2 . . . A 57 VAL QG1 . 19198 1 619 . 1 1 57 57 VAL HG21 H 1 0.868 0.029 . 2 . . . A 57 VAL QG2 . 19198 1 620 . 1 1 57 57 VAL HG22 H 1 0.868 0.029 . 2 . . . A 57 VAL QG2 . 19198 1 621 . 1 1 57 57 VAL HG23 H 1 0.868 0.029 . 2 . . . A 57 VAL QG2 . 19198 1 622 . 1 1 57 57 VAL CA C 13 59.696 0.141 . 1 . . . A 57 VAL CA . 19198 1 623 . 1 1 57 57 VAL CB C 13 33.227 0.141 . 1 . . . A 57 VAL CB . 19198 1 624 . 1 1 57 57 VAL CG1 C 13 18.967 0.141 . 2 . . . A 57 VAL CG1 . 19198 1 625 . 1 1 57 57 VAL CG2 C 13 18.357 0.141 . 2 . . . A 57 VAL CG2 . 19198 1 626 . 1 1 57 57 VAL N N 15 120.407 0.109 . 1 . . . A 57 VAL N . 19198 1 627 . 1 1 58 58 TYR H H 1 9.821 0.029 . 1 . . . A 58 TYR H . 19198 1 628 . 1 1 58 58 TYR HA H 1 5.504 0.029 . 1 . . . A 58 TYR HA . 19198 1 629 . 1 1 58 58 TYR HB2 H 1 3.246 0.029 . 2 . . . A 58 TYR HB2 . 19198 1 630 . 1 1 58 58 TYR HB3 H 1 2.529 0.029 . 2 . . . A 58 TYR HB3 . 19198 1 631 . 1 1 58 58 TYR HD1 H 1 6.788 0.029 . 3 . . . A 58 TYR QD . 19198 1 632 . 1 1 58 58 TYR HD2 H 1 6.788 0.029 . 3 . . . A 58 TYR QD . 19198 1 633 . 1 1 58 58 TYR HE1 H 1 6.551 0.029 . 3 . . . A 58 TYR QE . 19198 1 634 . 1 1 58 58 TYR HE2 H 1 6.551 0.029 . 3 . . . A 58 TYR QE . 19198 1 635 . 1 1 58 58 TYR CA C 13 53.883 0.141 . 1 . . . A 58 TYR CA . 19198 1 636 . 1 1 58 58 TYR CB C 13 38.558 0.141 . 1 . . . A 58 TYR CB . 19198 1 637 . 1 1 58 58 TYR CD1 C 13 129.950 0.141 . 3 . . . A 58 TYR CD1 . 19198 1 638 . 1 1 58 58 TYR CD2 C 13 129.949 0.141 . 3 . . . A 58 TYR CD2 . 19198 1 639 . 1 1 58 58 TYR CE1 C 13 115.170 0.141 . 3 . . . A 58 TYR CE1 . 19198 1 640 . 1 1 58 58 TYR CE2 C 13 115.175 0.141 . 3 . . . A 58 TYR CE2 . 19198 1 641 . 1 1 58 58 TYR N N 15 131.325 0.109 . 1 . . . A 58 TYR N . 19198 1 642 . 1 1 59 59 GLU H H 1 8.182 0.029 . 1 . . . A 59 GLU H . 19198 1 643 . 1 1 59 59 GLU HA H 1 4.519 0.029 . 1 . . . A 59 GLU HA . 19198 1 644 . 1 1 59 59 GLU HB2 H 1 1.915 0.029 . 2 . . . A 59 GLU HB2 . 19198 1 645 . 1 1 59 59 GLU HB3 H 1 1.883 0.029 . 2 . . . A 59 GLU HB3 . 19198 1 646 . 1 1 59 59 GLU HG2 H 1 2.063 0.029 . 2 . . . A 59 GLU HG2 . 19198 1 647 . 1 1 59 59 GLU HG3 H 1 2.163 0.029 . 2 . . . A 59 GLU HG3 . 19198 1 648 . 1 1 59 59 GLU CA C 13 52.718 0.141 . 1 . . . A 59 GLU CA . 19198 1 649 . 1 1 59 59 GLU CB C 13 29.084 0.141 . 1 . . . A 59 GLU CB . 19198 1 650 . 1 1 59 59 GLU CG C 13 32.416 0.141 . 1 . . . A 59 GLU CG . 19198 1 651 . 1 1 59 59 GLU N N 15 123.904 0.109 . 1 . . . A 59 GLU N . 19198 1 652 . 1 1 60 60 ASN H H 1 9.566 0.029 . 1 . . . A 60 ASN H . 19198 1 653 . 1 1 60 60 ASN HA H 1 4.247 0.029 . 1 . . . A 60 ASN HA . 19198 1 654 . 1 1 60 60 ASN HB2 H 1 2.828 0.029 . 2 . . . A 60 ASN HB2 . 19198 1 655 . 1 1 60 60 ASN HB3 H 1 2.674 0.029 . 2 . . . A 60 ASN HB3 . 19198 1 656 . 1 1 60 60 ASN HD21 H 1 6.794 0.029 . 1 . . . A 60 ASN HD21 . 19198 1 657 . 1 1 60 60 ASN HD22 H 1 7.640 0.029 . 1 . . . A 60 ASN HD22 . 19198 1 658 . 1 1 60 60 ASN CA C 13 51.876 0.141 . 1 . . . A 60 ASN CA . 19198 1 659 . 1 1 60 60 ASN CB C 13 34.949 0.141 . 1 . . . A 60 ASN CB . 19198 1 660 . 1 1 60 60 ASN N N 15 123.227 0.109 . 1 . . . A 60 ASN N . 19198 1 661 . 1 1 60 60 ASN ND2 N 15 114.088 0.109 . 1 . . . A 60 ASN ND2 . 19198 1 662 . 1 1 61 61 GLU H H 1 8.387 0.029 . 1 . . . A 61 GLU H . 19198 1 663 . 1 1 61 61 GLU HA H 1 3.500 0.029 . 1 . . . A 61 GLU HA . 19198 1 664 . 1 1 61 61 GLU HB2 H 1 2.182 0.029 . 2 . . . A 61 GLU HB2 . 19198 1 665 . 1 1 61 61 GLU HB3 H 1 2.123 0.029 . 2 . . . A 61 GLU HB3 . 19198 1 666 . 1 1 61 61 GLU HG2 H 1 2.116 0.029 . 2 . . . A 61 GLU HG2 . 19198 1 667 . 1 1 61 61 GLU HG3 H 1 2.191 0.029 . 2 . . . A 61 GLU HG3 . 19198 1 668 . 1 1 61 61 GLU CA C 13 54.765 0.141 . 1 . . . A 61 GLU CA . 19198 1 669 . 1 1 61 61 GLU CB C 13 25.167 0.141 . 1 . . . A 61 GLU CB . 19198 1 670 . 1 1 61 61 GLU CG C 13 34.770 0.141 . 1 . . . A 61 GLU CG . 19198 1 671 . 1 1 61 61 GLU N N 15 107.647 0.109 . 1 . . . A 61 GLU N . 19198 1 672 . 1 1 62 62 ASP H H 1 7.314 0.029 . 1 . . . A 62 ASP H . 19198 1 673 . 1 1 62 62 ASP HA H 1 4.724 0.029 . 1 . . . A 62 ASP HA . 19198 1 674 . 1 1 62 62 ASP HB2 H 1 2.382 0.029 . 2 . . . A 62 ASP HB2 . 19198 1 675 . 1 1 62 62 ASP HB3 H 1 2.521 0.029 . 2 . . . A 62 ASP HB3 . 19198 1 676 . 1 1 62 62 ASP CB C 13 41.251 0.141 . 1 . . . A 62 ASP CB . 19198 1 677 . 1 1 62 62 ASP N N 15 119.350 0.109 . 1 . . . A 62 ASP N . 19198 1 678 . 1 1 63 63 LEU H H 1 8.226 0.029 . 1 . . . A 63 LEU H . 19198 1 679 . 1 1 63 63 LEU HA H 1 5.037 0.029 . 1 . . . A 63 LEU HA . 19198 1 680 . 1 1 63 63 LEU HB2 H 1 1.707 0.029 . 2 . . . A 63 LEU HB2 . 19198 1 681 . 1 1 63 63 LEU HB3 H 1 1.030 0.029 . 2 . . . A 63 LEU HB3 . 19198 1 682 . 1 1 63 63 LEU HD11 H 1 0.823 0.029 . 2 . . . A 63 LEU QD1 . 19198 1 683 . 1 1 63 63 LEU HD12 H 1 0.823 0.029 . 2 . . . A 63 LEU QD1 . 19198 1 684 . 1 1 63 63 LEU HD13 H 1 0.823 0.029 . 2 . . . A 63 LEU QD1 . 19198 1 685 . 1 1 63 63 LEU HD21 H 1 0.181 0.029 . 2 . . . A 63 LEU QD2 . 19198 1 686 . 1 1 63 63 LEU HD22 H 1 0.181 0.029 . 2 . . . A 63 LEU QD2 . 19198 1 687 . 1 1 63 63 LEU HD23 H 1 0.181 0.029 . 2 . . . A 63 LEU QD2 . 19198 1 688 . 1 1 63 63 LEU CA C 13 51.075 0.141 . 1 . . . A 63 LEU CA . 19198 1 689 . 1 1 63 63 LEU CB C 13 42.312 0.141 . 1 . . . A 63 LEU CB . 19198 1 690 . 1 1 63 63 LEU CG C 13 25.296 0.141 . 1 . . . A 63 LEU CG . 19198 1 691 . 1 1 63 63 LEU CD1 C 13 22.528 0.141 . 2 . . . A 63 LEU CD1 . 19198 1 692 . 1 1 63 63 LEU CD2 C 13 23.573 0.141 . 2 . . . A 63 LEU CD2 . 19198 1 693 . 1 1 63 63 LEU N N 15 123.998 0.109 . 1 . . . A 63 LEU N . 19198 1 694 . 1 1 64 64 VAL H H 1 8.915 0.029 . 1 . . . A 64 VAL H . 19198 1 695 . 1 1 64 64 VAL HA H 1 4.361 0.029 . 1 . . . A 64 VAL HA . 19198 1 696 . 1 1 64 64 VAL HB H 1 2.026 0.029 . 1 . . . A 64 VAL HB . 19198 1 697 . 1 1 64 64 VAL HG11 H 1 0.873 0.029 . 2 . . . A 64 VAL QQG . 19198 1 698 . 1 1 64 64 VAL HG12 H 1 0.873 0.029 . 2 . . . A 64 VAL QQG . 19198 1 699 . 1 1 64 64 VAL HG13 H 1 0.873 0.029 . 2 . . . A 64 VAL QQG . 19198 1 700 . 1 1 64 64 VAL HG21 H 1 0.873 0.029 . 2 . . . A 64 VAL QQG . 19198 1 701 . 1 1 64 64 VAL HG22 H 1 0.873 0.029 . 2 . . . A 64 VAL QQG . 19198 1 702 . 1 1 64 64 VAL HG23 H 1 0.873 0.029 . 2 . . . A 64 VAL QQG . 19198 1 703 . 1 1 64 64 VAL CA C 13 58.470 0.141 . 1 . . . A 64 VAL CA . 19198 1 704 . 1 1 64 64 VAL CB C 13 31.939 0.141 . 1 . . . A 64 VAL CB . 19198 1 705 . 1 1 64 64 VAL CG1 C 13 18.466 0.141 . 2 . . . A 64 VAL CG1 . 19198 1 706 . 1 1 64 64 VAL CG2 C 13 18.466 0.141 . 2 . . . A 64 VAL CG2 . 19198 1 707 . 1 1 64 64 VAL N N 15 127.167 0.109 . 1 . . . A 64 VAL N . 19198 1 708 . 1 1 65 65 TYR H H 1 8.207 0.029 . 1 . . . A 65 TYR H . 19198 1 709 . 1 1 65 65 TYR HA H 1 5.893 0.029 . 1 . . . A 65 TYR HA . 19198 1 710 . 1 1 65 65 TYR HB2 H 1 3.075 0.029 . 2 . . . A 65 TYR HB2 . 19198 1 711 . 1 1 65 65 TYR HB3 H 1 3.351 0.029 . 2 . . . A 65 TYR HB3 . 19198 1 712 . 1 1 65 65 TYR HD1 H 1 6.665 0.029 . 3 . . . A 65 TYR QD . 19198 1 713 . 1 1 65 65 TYR HD2 H 1 6.665 0.029 . 3 . . . A 65 TYR QD . 19198 1 714 . 1 1 65 65 TYR HE1 H 1 6.577 0.029 . 3 . . . A 65 TYR QE . 19198 1 715 . 1 1 65 65 TYR HE2 H 1 6.577 0.029 . 3 . . . A 65 TYR QE . 19198 1 716 . 1 1 65 65 TYR CA C 13 53.115 0.141 . 1 . . . A 65 TYR CA . 19198 1 717 . 1 1 65 65 TYR CB C 13 39.948 0.141 . 1 . . . A 65 TYR CB . 19198 1 718 . 1 1 65 65 TYR CD1 C 13 131.072 0.141 . 3 . . . A 65 TYR CD1 . 19198 1 719 . 1 1 65 65 TYR CD2 C 13 131.072 0.141 . 3 . . . A 65 TYR CD2 . 19198 1 720 . 1 1 65 65 TYR CE1 C 13 115.370 0.141 . 3 . . . A 65 TYR CE1 . 19198 1 721 . 1 1 65 65 TYR CE2 C 13 115.373 0.141 . 3 . . . A 65 TYR CE2 . 19198 1 722 . 1 1 65 65 TYR N N 15 121.421 0.109 . 1 . . . A 65 TYR N . 19198 1 723 . 1 1 66 66 GLU H H 1 8.875 0.029 . 1 . . . A 66 GLU H . 19198 1 724 . 1 1 66 66 GLU HA H 1 4.793 0.029 . 1 . . . A 66 GLU HA . 19198 1 725 . 1 1 66 66 GLU HB2 H 1 1.890 0.029 . 2 . . . A 66 GLU HB2 . 19198 1 726 . 1 1 66 66 GLU HB3 H 1 2.053 0.029 . 2 . . . A 66 GLU HB3 . 19198 1 727 . 1 1 66 66 GLU HG2 H 1 2.189 0.029 . 2 . . . A 66 GLU QG . 19198 1 728 . 1 1 66 66 GLU HG3 H 1 2.189 0.029 . 2 . . . A 66 GLU QG . 19198 1 729 . 1 1 66 66 GLU CB C 13 30.949 0.141 . 1 . . . A 66 GLU CB . 19198 1 730 . 1 1 66 66 GLU CG C 13 32.628 0.141 . 1 . . . A 66 GLU CG . 19198 1 731 . 1 1 66 66 GLU N N 15 117.842 0.109 . 1 . . . A 66 GLU N . 19198 1 732 . 1 1 67 67 GLU H H 1 9.033 0.029 . 1 . . . A 67 GLU H . 19198 1 733 . 1 1 67 67 GLU HA H 1 4.084 0.029 . 1 . . . A 67 GLU HA . 19198 1 734 . 1 1 67 67 GLU HB2 H 1 1.847 0.029 . 2 . . . A 67 GLU HB2 . 19198 1 735 . 1 1 67 67 GLU HB3 H 1 1.774 0.029 . 2 . . . A 67 GLU HB3 . 19198 1 736 . 1 1 67 67 GLU HG2 H 1 1.931 0.029 . 2 . . . A 67 GLU HG2 . 19198 1 737 . 1 1 67 67 GLU HG3 H 1 2.051 0.029 . 2 . . . A 67 GLU HG3 . 19198 1 738 . 1 1 67 67 GLU CA C 13 54.157 0.141 . 1 . . . A 67 GLU CA . 19198 1 739 . 1 1 67 67 GLU CB C 13 27.697 0.141 . 1 . . . A 67 GLU CB . 19198 1 740 . 1 1 67 67 GLU CG C 13 33.723 0.141 . 1 . . . A 67 GLU CG . 19198 1 741 . 1 1 67 67 GLU N N 15 125.220 0.109 . 1 . . . A 67 GLU N . 19198 1 742 . 1 1 68 68 GLU H H 1 8.546 0.029 . 1 . . . A 68 GLU H . 19198 1 743 . 1 1 68 68 GLU HA H 1 4.358 0.029 . 1 . . . A 68 GLU HA . 19198 1 744 . 1 1 68 68 GLU HB2 H 1 1.821 0.029 . 2 . . . A 68 GLU HB2 . 19198 1 745 . 1 1 68 68 GLU HB3 H 1 1.643 0.029 . 2 . . . A 68 GLU HB3 . 19198 1 746 . 1 1 68 68 GLU HG2 H 1 2.037 0.029 . 2 . . . A 68 GLU HG2 . 19198 1 747 . 1 1 68 68 GLU HG3 H 1 1.964 0.029 . 2 . . . A 68 GLU HG3 . 19198 1 748 . 1 1 68 68 GLU CA C 13 53.193 0.141 . 1 . . . A 68 GLU CA . 19198 1 749 . 1 1 68 68 GLU CB C 13 28.405 0.141 . 1 . . . A 68 GLU CB . 19198 1 750 . 1 1 68 68 GLU CG C 13 33.556 0.141 . 1 . . . A 68 GLU CG . 19198 1 751 . 1 1 68 68 GLU N N 15 127.058 0.109 . 1 . . . A 68 GLU N . 19198 1 752 . 1 1 69 69 VAL H H 1 8.422 0.029 . 1 . . . A 69 VAL H . 19198 1 753 . 1 1 69 69 VAL HA H 1 4.046 0.029 . 1 . . . A 69 VAL HA . 19198 1 754 . 1 1 69 69 VAL HB H 1 1.974 0.029 . 1 . . . A 69 VAL HB . 19198 1 755 . 1 1 69 69 VAL HG21 H 1 0.843 0.029 . 1 . . . A 69 VAL QG2 . 19198 1 756 . 1 1 69 69 VAL HG22 H 1 0.843 0.029 . 1 . . . A 69 VAL QG2 . 19198 1 757 . 1 1 69 69 VAL HG23 H 1 0.843 0.029 . 1 . . . A 69 VAL QG2 . 19198 1 758 . 1 1 69 69 VAL CA C 13 59.775 0.141 . 1 . . . A 69 VAL CA . 19198 1 759 . 1 1 69 69 VAL CB C 13 30.174 0.141 . 1 . . . A 69 VAL CB . 19198 1 760 . 1 1 69 69 VAL CG2 C 13 18.010 0.141 . 1 . . . A 69 VAL CG2 . 19198 1 761 . 1 1 69 69 VAL N N 15 125.782 0.109 . 1 . . . A 69 VAL N . 19198 1 762 . 1 1 70 70 LEU H H 1 7.956 0.029 . 1 . . . A 70 LEU H . 19198 1 763 . 1 1 70 70 LEU HA H 1 4.128 0.029 . 1 . . . A 70 LEU HA . 19198 1 764 . 1 1 70 70 LEU HB2 H 1 1.461 0.029 . 2 . . . A 70 LEU QB . 19198 1 765 . 1 1 70 70 LEU HB3 H 1 1.461 0.029 . 2 . . . A 70 LEU QB . 19198 1 766 . 1 1 70 70 LEU HG H 1 1.450 0.029 . 1 . . . A 70 LEU HG . 19198 1 767 . 1 1 70 70 LEU HD11 H 1 0.690 0.029 . 2 . . . A 70 LEU QD1 . 19198 1 768 . 1 1 70 70 LEU HD12 H 1 0.690 0.029 . 2 . . . A 70 LEU QD1 . 19198 1 769 . 1 1 70 70 LEU HD13 H 1 0.690 0.029 . 2 . . . A 70 LEU QD1 . 19198 1 770 . 1 1 70 70 LEU HD21 H 1 0.715 0.029 . 2 . . . A 70 LEU QD2 . 19198 1 771 . 1 1 70 70 LEU HD22 H 1 0.715 0.029 . 2 . . . A 70 LEU QD2 . 19198 1 772 . 1 1 70 70 LEU HD23 H 1 0.715 0.029 . 2 . . . A 70 LEU QD2 . 19198 1 773 . 1 1 70 70 LEU CA C 13 53.892 0.141 . 1 . . . A 70 LEU CA . 19198 1 774 . 1 1 70 70 LEU CB C 13 40.926 0.141 . 1 . . . A 70 LEU CB . 19198 1 775 . 1 1 70 70 LEU CG C 13 24.827 0.141 . 1 . . . A 70 LEU CG . 19198 1 776 . 1 1 70 70 LEU CD1 C 13 20.942 0.141 . 2 . . . A 70 LEU CD1 . 19198 1 777 . 1 1 70 70 LEU CD2 C 13 22.588 0.141 . 2 . . . A 70 LEU CD2 . 19198 1 778 . 1 1 70 70 LEU N N 15 132.607 0.109 . 1 . . . A 70 LEU N . 19198 1 stop_ save_