data_15547 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15547 _Entry.Title ; Solution structure of ubiquitin domain N-terminal to S27a ribosome subunit from Giardia lamblia ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-11-07 _Entry.Accession_date 2007-11-07 _Entry.Last_release_date 2008-11-03 _Entry.Original_release_date 2008-11-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'Solution structure of ubiquitin domain N-terminal to S27a ribosome subunit from Giardia lamblia' _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 Andre Catic . . . 15547 2 Zhen-Yu Sun . J. . 15547 3 Daniel Ratner . M. . 15547 4 Shahram Misaghi . . . 15547 5 Eric Spooner . . . 15547 6 John Samuelson . . . 15547 7 Gerhard Wagner . . . 15547 8 Hidde Ploegh . L. . 15547 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 . 'not applicable' 'not applicable' . 15547 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID evolution . 15547 GlUb . 15547 recombination . 15547 ribosome . 15547 ubiquitin . 15547 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15547 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 265 15547 '15N chemical shifts' 66 15547 '1H chemical shifts' 456 15547 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 . . 2008-11-03 2007-11-07 original author . 15547 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JX5 'BMRB Entry Tracking System' 15547 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15547 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17599068 _Citation.Full_citation . _Citation.Title 'Sequence and structure evolved separately in a ribosomal ubiquitin variant' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 26 _Citation.Journal_issue 14 _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 3474 _Citation.Page_last 3483 _Citation.Year 2007 _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 Andre Catic . . . 15547 1 2 Zhen-Yu Sun . J. . 15547 1 3 Daniel Ratner . M. . 15547 1 4 Shahram Misaghi . . . 15547 1 5 Eric Spooner . . . 15547 1 6 John Samuelson . . . 15547 1 7 Gerhard Wagner . . . 15547 1 8 Hidde Ploegh . L. . 15547 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15547 _Assembly.ID 1 _Assembly.Name GlUb(S27a) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 GlUb(S27a) 1 $GlUb(S27a) A . yes native no no . . . 15547 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2jx5 . . 'solution NMR' . . . 15547 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GlUb(S27a) _Entity.Sf_category entity _Entity.Sf_framecode GlUb(S27a) _Entity.Entry_ID 15547 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GlUb(S27a) _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 ; MLVIVRLQDQTLPFELPAGA RASQLSNLLSSSGMAFSLHT QGRVLSEAAELNDKMVIDAF VPADGAGLE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 1-67 _Entity.Polymer_author_seq_details 'two C-terminal residues are from cloning artifact' _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment ; Ubiquitin variant Ub(S27a) of Giardia lamblia ; _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7307.402 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 2JX5 . "Solution Structure Of The Ubiquitin Domain N-Terminal To The S27a Ribosomal Subunit Of Giardia Lamblia" . . . . . 100.00 69 100.00 100.00 6.05e-40 . . . . 15547 1 2 no GB EDO78147 . "hypothetical protein GL50803_16298 [Giardia lamblia ATCC 50803]" . . . . . 97.10 137 100.00 100.00 7.02e-39 . . . . 15547 1 3 no GB ESU35090 . "SSU ribosomal protein S27AE / Ubiquitin [Giardia intestinalis]" . . . . . 97.10 137 100.00 100.00 7.02e-39 . . . . 15547 1 4 no REF XP_001705821 . "Hypothetical protein GL50803_16298 [Giardia lamblia ATCC 50803]" . . . . . 97.10 137 100.00 100.00 7.02e-39 . . . . 15547 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 -1 MET . 15547 1 2 0 LEU . 15547 1 3 1 VAL . 15547 1 4 2 ILE . 15547 1 5 3 VAL . 15547 1 6 4 ARG . 15547 1 7 5 LEU . 15547 1 8 6 GLN . 15547 1 9 7 ASP . 15547 1 10 8 GLN . 15547 1 11 9 THR . 15547 1 12 10 LEU . 15547 1 13 11 PRO . 15547 1 14 12 PHE . 15547 1 15 13 GLU . 15547 1 16 14 LEU . 15547 1 17 15 PRO . 15547 1 18 16 ALA . 15547 1 19 17 GLY . 15547 1 20 18 ALA . 15547 1 21 19 ARG . 15547 1 22 20 ALA . 15547 1 23 21 SER . 15547 1 24 22 GLN . 15547 1 25 23 LEU . 15547 1 26 24 SER . 15547 1 27 25 ASN . 15547 1 28 26 LEU . 15547 1 29 27 LEU . 15547 1 30 28 SER . 15547 1 31 29 SER . 15547 1 32 30 SER . 15547 1 33 31 GLY . 15547 1 34 32 MET . 15547 1 35 33 ALA . 15547 1 36 34 PHE . 15547 1 37 35 SER . 15547 1 38 36 LEU . 15547 1 39 37 HIS . 15547 1 40 38 THR . 15547 1 41 39 GLN . 15547 1 42 40 GLY . 15547 1 43 41 ARG . 15547 1 44 42 VAL . 15547 1 45 43 LEU . 15547 1 46 44 SER . 15547 1 47 45 GLU . 15547 1 48 46 ALA . 15547 1 49 47 ALA . 15547 1 50 48 GLU . 15547 1 51 49 LEU . 15547 1 52 50 ASN . 15547 1 53 51 ASP . 15547 1 54 52 LYS . 15547 1 55 53 MET . 15547 1 56 54 VAL . 15547 1 57 55 ILE . 15547 1 58 56 ASP . 15547 1 59 57 ALA . 15547 1 60 58 PHE . 15547 1 61 59 VAL . 15547 1 62 60 PRO . 15547 1 63 61 ALA . 15547 1 64 62 ASP . 15547 1 65 63 GLY . 15547 1 66 64 ALA . 15547 1 67 65 GLY . 15547 1 68 66 LEU . 15547 1 69 67 GLU . 15547 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15547 1 . LEU 2 2 15547 1 . VAL 3 3 15547 1 . ILE 4 4 15547 1 . VAL 5 5 15547 1 . ARG 6 6 15547 1 . LEU 7 7 15547 1 . GLN 8 8 15547 1 . ASP 9 9 15547 1 . GLN 10 10 15547 1 . THR 11 11 15547 1 . LEU 12 12 15547 1 . PRO 13 13 15547 1 . PHE 14 14 15547 1 . GLU 15 15 15547 1 . LEU 16 16 15547 1 . PRO 17 17 15547 1 . ALA 18 18 15547 1 . GLY 19 19 15547 1 . ALA 20 20 15547 1 . ARG 21 21 15547 1 . ALA 22 22 15547 1 . SER 23 23 15547 1 . GLN 24 24 15547 1 . LEU 25 25 15547 1 . SER 26 26 15547 1 . ASN 27 27 15547 1 . LEU 28 28 15547 1 . LEU 29 29 15547 1 . SER 30 30 15547 1 . SER 31 31 15547 1 . SER 32 32 15547 1 . GLY 33 33 15547 1 . MET 34 34 15547 1 . ALA 35 35 15547 1 . PHE 36 36 15547 1 . SER 37 37 15547 1 . LEU 38 38 15547 1 . HIS 39 39 15547 1 . THR 40 40 15547 1 . GLN 41 41 15547 1 . GLY 42 42 15547 1 . ARG 43 43 15547 1 . VAL 44 44 15547 1 . LEU 45 45 15547 1 . SER 46 46 15547 1 . GLU 47 47 15547 1 . ALA 48 48 15547 1 . ALA 49 49 15547 1 . GLU 50 50 15547 1 . LEU 51 51 15547 1 . ASN 52 52 15547 1 . ASP 53 53 15547 1 . LYS 54 54 15547 1 . MET 55 55 15547 1 . VAL 56 56 15547 1 . ILE 57 57 15547 1 . ASP 58 58 15547 1 . ALA 59 59 15547 1 . PHE 60 60 15547 1 . VAL 61 61 15547 1 . PRO 62 62 15547 1 . ALA 63 63 15547 1 . ASP 64 64 15547 1 . GLY 65 65 15547 1 . ALA 66 66 15547 1 . GLY 67 67 15547 1 . LEU 68 68 15547 1 . GLU 69 69 15547 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 15547 _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 $GlUb(S27a) . 5741 organism . 'Giardia lamblia' 'Giardia intestinalis' . . Eukaryota . Giardia lamblia MR4 . . . . . . . . . . . . . . . S27a . ; Giardia lamblia trophozoites (strain MR4) were cultured axenically under standard conditions (Ghosh et al., Infect. Immun. 2001) ; . . 15547 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 15547 _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 $GlUb(S27a) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 BL21(DE3) . . . . . . . . . . . . . . pET28a . . . 'contains GB1 domain at the N-terminus and 6-His tag at the C-terminus (both excluded from structure calculations)' . . 15547 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15547 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N/13C labeled' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GlUb(S27a) '[U-99% 13C; U-99% 15N]' . . 1 $GlUb(S27a) . . 1 . . mM . . . . 15547 1 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15547 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15547 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 15547 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 15547 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15547 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details unlabeled _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 GlUb(S27a) 'natural abundance' . . 1 $GlUb(S27a) . . 1 . . mM . . . . 15547 2 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15547 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15547 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15547 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15547 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% C13-labeled' _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 GlUb(S27a) '[U-10% 13C]' . . 1 $GlUb(S27a) . . 1 . . mM . . . . 15547 3 2 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 15547 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15547 3 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 15547 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15547 _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' 100 . mM 15547 1 pH 6.2 . pH 15547 1 pressure 1 . atm 15547 1 temperature 298 . K 15547 1 stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Software.Sf_category software _Software.Sf_framecode PROSA _Software.Entry_ID 15547 _Software.ID 1 _Software.Name PROSA _Software.Version 3.7 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Guntert . . 15547 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15547 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 15547 _Software.ID 2 _Software.Name CARA _Software.Version 1.8.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 15547 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15547 2 stop_ save_ save_RNMRTK _Software.Sf_category software _Software.Sf_framecode RNMRTK _Software.Entry_ID 15547 _Software.ID 3 _Software.Name RNMRTK _Software.Version 3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Stern and Hoch' . ; stern@rowland.harvard.edu hoch@uchc.edu ; 15547 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15547 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 15547 _Software.ID 4 _Software.Name TALOS _Software.Version 2003.027.13.05 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 15547 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15547 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15547 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15547 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15547 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 15547 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'cryogenic probe' _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15547 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details 'cryogenic probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15547 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15547 _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 Varian INOVA . 600 'cryogenic probe' . . 15547 1 2 spectrometer_2 Bruker Avance . 750 'cryogenic probe' . . 15547 1 3 spectrometer_3 Varian INOVA . 500 . . . 15547 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 15547 _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 . . . . . . . . . . . . . . . . 15547 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15547 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15547 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15547 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15547 1 6 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15547 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15547 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15547 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15547 1 10 '2D 1H-1H NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15547 1 11 '2D 1H-1H TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15547 1 12 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15547 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 15547 _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 . indirect 0.251449530 . . . . . . . . . 15547 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15547 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15547 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 15547 _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 4 '3D HNCO' . . . 15547 1 8 '3D 1H-13C NOESY' . . . 15547 1 9 '3D 1H-15N NOESY' . . . 15547 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 9.288 0.000 . 1 . . . . 1 MET HN . 15547 1 2 . 1 1 1 1 MET HA H 1 4.696 0.000 . 1 . . . . 1 MET HA . 15547 1 3 . 1 1 1 1 MET HB2 H 1 1.844 0.000 . 2 . . . . 1 MET QB . 15547 1 4 . 1 1 1 1 MET HB3 H 1 1.844 0.000 . 2 . . . . 1 MET QB . 15547 1 5 . 1 1 1 1 MET HE1 H 1 1.994 0.000 . 1 . . . . 1 MET QE . 15547 1 6 . 1 1 1 1 MET HE2 H 1 1.994 0.000 . 1 . . . . 1 MET QE . 15547 1 7 . 1 1 1 1 MET HE3 H 1 1.994 0.000 . 1 . . . . 1 MET QE . 15547 1 8 . 1 1 1 1 MET HG2 H 1 2.273 0.000 . 2 . . . . 1 MET HG2 . 15547 1 9 . 1 1 1 1 MET HG3 H 1 2.193 0.000 . 2 . . . . 1 MET HG3 . 15547 1 10 . 1 1 1 1 MET C C 13 172.604 0.000 . 1 . . . . 1 MET C . 15547 1 11 . 1 1 1 1 MET CA C 13 54.324 0.000 . 1 . . . . 1 MET CA . 15547 1 12 . 1 1 1 1 MET CB C 13 35.869 0.000 . 1 . . . . 1 MET CB . 15547 1 13 . 1 1 1 1 MET CE C 13 17.460 0.000 . 1 . . . . 1 MET CE . 15547 1 14 . 1 1 1 1 MET CG C 13 30.557 0.000 . 1 . . . . 1 MET CG . 15547 1 15 . 1 1 1 1 MET N N 15 120.420 0.000 . 1 . . . . 1 MET N . 15547 1 16 . 1 1 2 2 LEU H H 1 9.099 0.000 . 1 . . . . 2 LEU HN . 15547 1 17 . 1 1 2 2 LEU HA H 1 5.183 0.000 . 1 . . . . 2 LEU HA . 15547 1 18 . 1 1 2 2 LEU HB2 H 1 1.746 0.000 . 2 . . . . 2 LEU HB2 . 15547 1 19 . 1 1 2 2 LEU HB3 H 1 1.446 0.000 . 2 . . . . 2 LEU HB3 . 15547 1 20 . 1 1 2 2 LEU HD11 H 1 0.823 0.000 . 1 . . . . 2 LEU QD1 . 15547 1 21 . 1 1 2 2 LEU HD12 H 1 0.823 0.000 . 1 . . . . 2 LEU QD1 . 15547 1 22 . 1 1 2 2 LEU HD13 H 1 0.823 0.000 . 1 . . . . 2 LEU QD1 . 15547 1 23 . 1 1 2 2 LEU HD21 H 1 0.827 0.000 . 1 . . . . 2 LEU QD2 . 15547 1 24 . 1 1 2 2 LEU HD22 H 1 0.827 0.000 . 1 . . . . 2 LEU QD2 . 15547 1 25 . 1 1 2 2 LEU HD23 H 1 0.827 0.000 . 1 . . . . 2 LEU QD2 . 15547 1 26 . 1 1 2 2 LEU C C 13 176.031 0.000 . 1 . . . . 2 LEU C . 15547 1 27 . 1 1 2 2 LEU CA C 13 53.682 0.000 . 1 . . . . 2 LEU CA . 15547 1 28 . 1 1 2 2 LEU CB C 13 43.994 0.000 . 1 . . . . 2 LEU CB . 15547 1 29 . 1 1 2 2 LEU CD1 C 13 23.687 0.000 . 1 . . . . 2 LEU CD1 . 15547 1 30 . 1 1 2 2 LEU CD2 C 13 25.250 0.000 . 1 . . . . 2 LEU CD2 . 15547 1 31 . 1 1 2 2 LEU N N 15 125.441 0.000 . 1 . . . . 2 LEU N . 15547 1 32 . 1 1 3 3 VAL H H 1 9.070 0.000 . 1 . . . . 3 VAL HN . 15547 1 33 . 1 1 3 3 VAL HA H 1 4.720 0.000 . 1 . . . . 3 VAL HA . 15547 1 34 . 1 1 3 3 VAL HB H 1 1.968 0.000 . 1 . . . . 3 VAL HB . 15547 1 35 . 1 1 3 3 VAL HG11 H 1 0.888 0.000 . 1 . . . . 3 VAL QG1 . 15547 1 36 . 1 1 3 3 VAL HG12 H 1 0.888 0.000 . 1 . . . . 3 VAL QG1 . 15547 1 37 . 1 1 3 3 VAL HG13 H 1 0.888 0.000 . 1 . . . . 3 VAL QG1 . 15547 1 38 . 1 1 3 3 VAL HG21 H 1 0.876 0.000 . 1 . . . . 3 VAL QG2 . 15547 1 39 . 1 1 3 3 VAL HG22 H 1 0.876 0.000 . 1 . . . . 3 VAL QG2 . 15547 1 40 . 1 1 3 3 VAL HG23 H 1 0.876 0.000 . 1 . . . . 3 VAL QG2 . 15547 1 41 . 1 1 3 3 VAL C C 13 173.653 0.000 . 1 . . . . 3 VAL C . 15547 1 42 . 1 1 3 3 VAL CA C 13 59.935 0.000 . 1 . . . . 3 VAL CA . 15547 1 43 . 1 1 3 3 VAL CB C 13 34.312 0.000 . 1 . . . . 3 VAL CB . 15547 1 44 . 1 1 3 3 VAL CG1 C 13 22.119 0.000 . 1 . . . . 3 VAL CG1 . 15547 1 45 . 1 1 3 3 VAL CG2 C 13 20.875 0.000 . 1 . . . . 3 VAL CG2 . 15547 1 46 . 1 1 3 3 VAL N N 15 123.079 0.000 . 1 . . . . 3 VAL N . 15547 1 47 . 1 1 4 4 ILE H H 1 8.552 0.000 . 1 . . . . 4 ILE HN . 15547 1 48 . 1 1 4 4 ILE HA H 1 4.530 0.000 . 1 . . . . 4 ILE HA . 15547 1 49 . 1 1 4 4 ILE HB H 1 1.896 0.000 . 1 . . . . 4 ILE HB . 15547 1 50 . 1 1 4 4 ILE HD11 H 1 0.702 0.000 . 1 . . . . 4 ILE QD1 . 15547 1 51 . 1 1 4 4 ILE HD12 H 1 0.702 0.000 . 1 . . . . 4 ILE QD1 . 15547 1 52 . 1 1 4 4 ILE HD13 H 1 0.702 0.000 . 1 . . . . 4 ILE QD1 . 15547 1 53 . 1 1 4 4 ILE HG12 H 1 1.364 0.000 . 2 . . . . 4 ILE HG12 . 15547 1 54 . 1 1 4 4 ILE HG13 H 1 1.131 0.000 . 2 . . . . 4 ILE HG13 . 15547 1 55 . 1 1 4 4 ILE HG21 H 1 0.722 0.000 . 1 . . . . 4 ILE QG2 . 15547 1 56 . 1 1 4 4 ILE HG22 H 1 0.722 0.000 . 1 . . . . 4 ILE QG2 . 15547 1 57 . 1 1 4 4 ILE HG23 H 1 0.722 0.000 . 1 . . . . 4 ILE QG2 . 15547 1 58 . 1 1 4 4 ILE C C 13 174.344 0.000 . 1 . . . . 4 ILE C . 15547 1 59 . 1 1 4 4 ILE CA C 13 59.313 0.000 . 1 . . . . 4 ILE CA . 15547 1 60 . 1 1 4 4 ILE CB C 13 38.999 0.000 . 1 . . . . 4 ILE CB . 15547 1 61 . 1 1 4 4 ILE CD1 C 13 11.813 0.000 . 1 . . . . 4 ILE CD1 . 15547 1 62 . 1 1 4 4 ILE CG1 C 13 27.434 0.000 . 1 . . . . 4 ILE CG1 . 15547 1 63 . 1 1 4 4 ILE CG2 C 13 18.375 0.000 . 1 . . . . 4 ILE CG2 . 15547 1 64 . 1 1 4 4 ILE N N 15 124.929 0.000 . 1 . . . . 4 ILE N . 15547 1 65 . 1 1 5 5 VAL H H 1 8.911 0.000 . 1 . . . . 5 VAL HN . 15547 1 66 . 1 1 5 5 VAL HA H 1 4.968 0.000 . 1 . . . . 5 VAL HA . 15547 1 67 . 1 1 5 5 VAL HB H 1 2.301 0.000 . 1 . . . . 5 VAL HB . 15547 1 68 . 1 1 5 5 VAL HG11 H 1 0.739 0.000 . 1 . . . . 5 VAL QG1 . 15547 1 69 . 1 1 5 5 VAL HG12 H 1 0.739 0.000 . 1 . . . . 5 VAL QG1 . 15547 1 70 . 1 1 5 5 VAL HG13 H 1 0.739 0.000 . 1 . . . . 5 VAL QG1 . 15547 1 71 . 1 1 5 5 VAL HG21 H 1 0.910 0.000 . 1 . . . . 5 VAL QG2 . 15547 1 72 . 1 1 5 5 VAL HG22 H 1 0.910 0.000 . 1 . . . . 5 VAL QG2 . 15547 1 73 . 1 1 5 5 VAL HG23 H 1 0.910 0.000 . 1 . . . . 5 VAL QG2 . 15547 1 74 . 1 1 5 5 VAL C C 13 174.722 0.000 . 1 . . . . 5 VAL C . 15547 1 75 . 1 1 5 5 VAL CA C 13 60.247 0.000 . 1 . . . . 5 VAL CA . 15547 1 76 . 1 1 5 5 VAL CB C 13 33.369 0.000 . 1 . . . . 5 VAL CB . 15547 1 77 . 1 1 5 5 VAL CG1 C 13 21.813 0.000 . 1 . . . . 5 VAL CG1 . 15547 1 78 . 1 1 5 5 VAL CG2 C 13 23.375 0.000 . 1 . . . . 5 VAL CG2 . 15547 1 79 . 1 1 5 5 VAL N N 15 127.032 0.000 . 1 . . . . 5 VAL N . 15547 1 80 . 1 1 6 6 ARG H H 1 9.417 0.000 . 1 . . . . 6 ARG HN . 15547 1 81 . 1 1 6 6 ARG HA H 1 4.945 0.000 . 1 . . . . 6 ARG HA . 15547 1 82 . 1 1 6 6 ARG HB2 H 1 1.993 0.000 . 2 . . . . 6 ARG HB2 . 15547 1 83 . 1 1 6 6 ARG HB3 H 1 1.792 0.000 . 2 . . . . 6 ARG HB3 . 15547 1 84 . 1 1 6 6 ARG HD2 H 1 3.130 0.000 . 2 . . . . 6 ARG QD . 15547 1 85 . 1 1 6 6 ARG HD3 H 1 3.130 0.000 . 2 . . . . 6 ARG QD . 15547 1 86 . 1 1 6 6 ARG HE H 1 7.532 0.000 . 1 . . . . 6 ARG HE . 15547 1 87 . 1 1 6 6 ARG HG2 H 1 1.506 0.000 . 2 . . . . 6 ARG QG . 15547 1 88 . 1 1 6 6 ARG HG3 H 1 1.506 0.000 . 2 . . . . 6 ARG QG . 15547 1 89 . 1 1 6 6 ARG C C 13 174.662 0.000 . 1 . . . . 6 ARG C . 15547 1 90 . 1 1 6 6 ARG CA C 13 55.557 0.000 . 1 . . . . 6 ARG CA . 15547 1 91 . 1 1 6 6 ARG CB C 13 30.557 0.000 . 1 . . . . 6 ARG CB . 15547 1 92 . 1 1 6 6 ARG CD C 13 43.369 0.000 . 1 . . . . 6 ARG CD . 15547 1 93 . 1 1 6 6 ARG CG C 13 27.119 0.000 . 1 . . . . 6 ARG CG . 15547 1 94 . 1 1 6 6 ARG N N 15 127.895 0.000 . 1 . . . . 6 ARG N . 15547 1 95 . 1 1 6 6 ARG NE N 15 84.480 0.000 . 1 . . . . 6 ARG NE . 15547 1 96 . 1 1 7 7 LEU H H 1 8.368 0.000 . 1 . . . . 7 LEU HN . 15547 1 97 . 1 1 7 7 LEU HA H 1 4.761 0.000 . 1 . . . . 7 LEU HA . 15547 1 98 . 1 1 7 7 LEU HB2 H 1 1.715 0.000 . 2 . . . . 7 LEU HB2 . 15547 1 99 . 1 1 7 7 LEU HB3 H 1 1.305 0.000 . 2 . . . . 7 LEU HB3 . 15547 1 100 . 1 1 7 7 LEU HD11 H 1 0.687 0.000 . 1 . . . . 7 LEU QD1 . 15547 1 101 . 1 1 7 7 LEU HD12 H 1 0.687 0.000 . 1 . . . . 7 LEU QD1 . 15547 1 102 . 1 1 7 7 LEU HD13 H 1 0.687 0.000 . 1 . . . . 7 LEU QD1 . 15547 1 103 . 1 1 7 7 LEU HD21 H 1 0.695 0.000 . 1 . . . . 7 LEU QD2 . 15547 1 104 . 1 1 7 7 LEU HD22 H 1 0.695 0.000 . 1 . . . . 7 LEU QD2 . 15547 1 105 . 1 1 7 7 LEU HD23 H 1 0.695 0.000 . 1 . . . . 7 LEU QD2 . 15547 1 106 . 1 1 7 7 LEU HG H 1 0.862 0.000 . 1 . . . . 7 LEU HG . 15547 1 107 . 1 1 7 7 LEU C C 13 175.869 0.000 . 1 . . . . 7 LEU C . 15547 1 108 . 1 1 7 7 LEU CA C 13 53.682 0.000 . 1 . . . . 7 LEU CA . 15547 1 109 . 1 1 7 7 LEU CB C 13 43.994 0.000 . 1 . . . . 7 LEU CB . 15547 1 110 . 1 1 7 7 LEU CD1 C 13 24.937 0.000 . 1 . . . . 7 LEU CD1 . 15547 1 111 . 1 1 7 7 LEU CD2 C 13 25.562 0.000 . 1 . . . . 7 LEU CD2 . 15547 1 112 . 1 1 7 7 LEU N N 15 127.357 0.000 . 1 . . . . 7 LEU N . 15547 1 113 . 1 1 8 8 GLN H H 1 9.244 0.000 . 1 . . . . 8 GLN HN . 15547 1 114 . 1 1 8 8 GLN HA H 1 3.825 0.000 . 1 . . . . 8 GLN HA . 15547 1 115 . 1 1 8 8 GLN HB2 H 1 2.268 0.000 . 2 . . . . 8 GLN HB2 . 15547 1 116 . 1 1 8 8 GLN HB3 H 1 2.140 0.000 . 2 . . . . 8 GLN HB3 . 15547 1 117 . 1 1 8 8 GLN HG2 H 1 2.386 0.000 . 2 . . . . 8 GLN QG . 15547 1 118 . 1 1 8 8 GLN HG3 H 1 2.386 0.000 . 2 . . . . 8 GLN QG . 15547 1 119 . 1 1 8 8 GLN C C 13 175.478 0.000 . 1 . . . . 8 GLN C . 15547 1 120 . 1 1 8 8 GLN CA C 13 58.372 0.000 . 1 . . . . 8 GLN CA . 15547 1 121 . 1 1 8 8 GLN CB C 13 27.125 0.000 . 1 . . . . 8 GLN CB . 15547 1 122 . 1 1 8 8 GLN CG C 13 34.000 0.000 . 1 . . . . 8 GLN CG . 15547 1 123 . 1 1 8 8 GLN N N 15 123.025 0.000 . 1 . . . . 8 GLN N . 15547 1 124 . 1 1 9 9 ASP H H 1 8.622 0.000 . 1 . . . . 9 ASP HN . 15547 1 125 . 1 1 9 9 ASP HA H 1 4.609 0.000 . 1 . . . . 9 ASP HA . 15547 1 126 . 1 1 9 9 ASP HB2 H 1 2.786 0.000 . 2 . . . . 9 ASP QB . 15547 1 127 . 1 1 9 9 ASP HB3 H 1 2.786 0.000 . 2 . . . . 9 ASP QB . 15547 1 128 . 1 1 9 9 ASP C C 13 175.352 0.000 . 1 . . . . 9 ASP C . 15547 1 129 . 1 1 9 9 ASP CA C 13 54.619 0.000 . 1 . . . . 9 ASP CA . 15547 1 130 . 1 1 9 9 ASP CB C 13 40.576 0.000 . 1 . . . . 9 ASP CB . 15547 1 131 . 1 1 9 9 ASP N N 15 117.207 0.000 . 1 . . . . 9 ASP N . 15547 1 132 . 1 1 10 10 GLN H H 1 7.972 0.000 . 1 . . . . 10 GLN HN . 15547 1 133 . 1 1 10 10 GLN HA H 1 4.644 0.000 . 1 . . . . 10 GLN HA . 15547 1 134 . 1 1 10 10 GLN HB2 H 1 2.093 0.000 . 2 . . . . 10 GLN QB . 15547 1 135 . 1 1 10 10 GLN HB3 H 1 2.093 0.000 . 2 . . . . 10 GLN QB . 15547 1 136 . 1 1 10 10 GLN HG2 H 1 2.322 0.000 . 2 . . . . 10 GLN QG . 15547 1 137 . 1 1 10 10 GLN HG3 H 1 2.322 0.000 . 2 . . . . 10 GLN QG . 15547 1 138 . 1 1 10 10 GLN C C 13 174.812 0.000 . 1 . . . . 10 GLN C . 15547 1 139 . 1 1 10 10 GLN CA C 13 54.932 0.000 . 1 . . . . 10 GLN CA . 15547 1 140 . 1 1 10 10 GLN CB C 13 31.807 0.000 . 1 . . . . 10 GLN CB . 15547 1 141 . 1 1 10 10 GLN CG C 13 33.682 0.000 . 1 . . . . 10 GLN CG . 15547 1 142 . 1 1 10 10 GLN N N 15 118.451 0.000 . 1 . . . . 10 GLN N . 15547 1 143 . 1 1 11 11 THR H H 1 8.593 0.000 . 1 . . . . 11 THR HN . 15547 1 144 . 1 1 11 11 THR HA H 1 4.874 0.000 . 1 . . . . 11 THR HA . 15547 1 145 . 1 1 11 11 THR HB H 1 3.911 0.000 . 1 . . . . 11 THR HB . 15547 1 146 . 1 1 11 11 THR HG21 H 1 1.000 0.000 . 1 . . . . 11 THR QG2 . 15547 1 147 . 1 1 11 11 THR HG22 H 1 1.000 0.000 . 1 . . . . 11 THR QG2 . 15547 1 148 . 1 1 11 11 THR HG23 H 1 1.000 0.000 . 1 . . . . 11 THR QG2 . 15547 1 149 . 1 1 11 11 THR C C 13 173.521 0.000 . 1 . . . . 11 THR C . 15547 1 150 . 1 1 11 11 THR CA C 13 61.810 0.000 . 1 . . . . 11 THR CA . 15547 1 151 . 1 1 11 11 THR CB C 13 69.934 0.000 . 1 . . . . 11 THR CB . 15547 1 152 . 1 1 11 11 THR CG2 C 13 22.125 0.000 . 1 . . . . 11 THR CG2 . 15547 1 153 . 1 1 11 11 THR N N 15 118.464 0.000 . 1 . . . . 11 THR N . 15547 1 154 . 1 1 12 12 LEU H H 1 9.554 0.000 . 1 . . . . 12 LEU HN . 15547 1 155 . 1 1 12 12 LEU HA H 1 4.872 0.000 . 1 . . . . 12 LEU HA . 15547 1 156 . 1 1 12 12 LEU HB2 H 1 1.805 0.000 . 2 . . . . 12 LEU HB2 . 15547 1 157 . 1 1 12 12 LEU HB3 H 1 1.238 0.000 . 2 . . . . 12 LEU HB3 . 15547 1 158 . 1 1 12 12 LEU HD11 H 1 0.846 0.000 . 1 . . . . 12 LEU QD1 . 15547 1 159 . 1 1 12 12 LEU HD12 H 1 0.846 0.000 . 1 . . . . 12 LEU QD1 . 15547 1 160 . 1 1 12 12 LEU HD13 H 1 0.846 0.000 . 1 . . . . 12 LEU QD1 . 15547 1 161 . 1 1 12 12 LEU HD21 H 1 0.831 0.000 . 1 . . . . 12 LEU QD2 . 15547 1 162 . 1 1 12 12 LEU HD22 H 1 0.831 0.000 . 1 . . . . 12 LEU QD2 . 15547 1 163 . 1 1 12 12 LEU HD23 H 1 0.831 0.000 . 1 . . . . 12 LEU QD2 . 15547 1 164 . 1 1 12 12 LEU CA C 13 51.494 0.000 . 1 . . . . 12 LEU CA . 15547 1 165 . 1 1 12 12 LEU CB C 13 44.932 0.000 . 1 . . . . 12 LEU CB . 15547 1 166 . 1 1 12 12 LEU CD1 C 13 25.557 0.000 . 1 . . . . 12 LEU CD1 . 15547 1 167 . 1 1 12 12 LEU CD2 C 13 23.682 0.000 . 1 . . . . 12 LEU CD2 . 15547 1 168 . 1 1 12 12 LEU N N 15 128.567 0.000 . 1 . . . . 12 LEU N . 15547 1 169 . 1 1 13 13 PRO HA H 1 5.141 0.000 . 1 . . . . 13 PRO HA . 15547 1 170 . 1 1 13 13 PRO HB2 H 1 2.008 0.000 . 2 . . . . 13 PRO HB2 . 15547 1 171 . 1 1 13 13 PRO HB3 H 1 1.801 0.000 . 2 . . . . 13 PRO HB3 . 15547 1 172 . 1 1 13 13 PRO HD2 H 1 3.709 0.000 . 2 . . . . 13 PRO HD2 . 15547 1 173 . 1 1 13 13 PRO HD3 H 1 3.646 0.000 . 2 . . . . 13 PRO HD3 . 15547 1 174 . 1 1 13 13 PRO HG2 H 1 1.987 0.000 . 2 . . . . 13 PRO HG2 . 15547 1 175 . 1 1 13 13 PRO HG3 H 1 1.872 0.000 . 2 . . . . 13 PRO HG3 . 15547 1 176 . 1 1 13 13 PRO C C 13 176.800 0.000 . 1 . . . . 13 PRO C . 15547 1 177 . 1 1 13 13 PRO CA C 13 60.869 0.000 . 1 . . . . 13 PRO CA . 15547 1 178 . 1 1 13 13 PRO CB C 13 32.119 0.000 . 1 . . . . 13 PRO CB . 15547 1 179 . 1 1 13 13 PRO CD C 13 50.244 0.000 . 1 . . . . 13 PRO CD . 15547 1 180 . 1 1 13 13 PRO CG C 13 27.432 0.000 . 1 . . . . 13 PRO CG . 15547 1 181 . 1 1 14 14 PHE H H 1 9.302 0.000 . 1 . . . . 14 PHE HN . 15547 1 182 . 1 1 14 14 PHE HA H 1 4.622 0.000 . 1 . . . . 14 PHE HA . 15547 1 183 . 1 1 14 14 PHE HB2 H 1 2.649 0.000 . 2 . . . . 14 PHE QB . 15547 1 184 . 1 1 14 14 PHE HB3 H 1 2.649 0.000 . 2 . . . . 14 PHE QB . 15547 1 185 . 1 1 14 14 PHE HD1 H 1 7.144 0.000 . 3 . . . . 14 PHE QD . 15547 1 186 . 1 1 14 14 PHE HD2 H 1 7.144 0.000 . 3 . . . . 14 PHE QD . 15547 1 187 . 1 1 14 14 PHE HE1 H 1 7.073 0.000 . 3 . . . . 14 PHE QE . 15547 1 188 . 1 1 14 14 PHE HE2 H 1 7.073 0.000 . 3 . . . . 14 PHE QE . 15547 1 189 . 1 1 14 14 PHE C C 13 173.677 0.000 . 1 . . . . 14 PHE C . 15547 1 190 . 1 1 14 14 PHE CA C 13 57.747 0.000 . 1 . . . . 14 PHE CA . 15547 1 191 . 1 1 14 14 PHE CB C 13 42.749 0.000 . 1 . . . . 14 PHE CB . 15547 1 192 . 1 1 14 14 PHE N N 15 121.778 0.000 . 1 . . . . 14 PHE N . 15547 1 193 . 1 1 15 15 GLU H H 1 8.516 0.000 . 1 . . . . 15 GLU HN . 15547 1 194 . 1 1 15 15 GLU HA H 1 5.260 0.000 . 1 . . . . 15 GLU HA . 15547 1 195 . 1 1 15 15 GLU HB2 H 1 1.924 0.000 . 2 . . . . 15 GLU HB2 . 15547 1 196 . 1 1 15 15 GLU HB3 H 1 1.852 0.000 . 2 . . . . 15 GLU HB3 . 15547 1 197 . 1 1 15 15 GLU HG2 H 1 2.185 0.000 . 2 . . . . 15 GLU HG2 . 15547 1 198 . 1 1 15 15 GLU HG3 H 1 2.038 0.000 . 2 . . . . 15 GLU HG3 . 15547 1 199 . 1 1 15 15 GLU C C 13 175.821 0.000 . 1 . . . . 15 GLU C . 15547 1 200 . 1 1 15 15 GLU CA C 13 54.932 0.000 . 1 . . . . 15 GLU CA . 15547 1 201 . 1 1 15 15 GLU CB C 13 30.244 0.000 . 1 . . . . 15 GLU CB . 15547 1 202 . 1 1 15 15 GLU CG C 13 36.494 0.000 . 1 . . . . 15 GLU CG . 15547 1 203 . 1 1 15 15 GLU N N 15 123.002 0.000 . 1 . . . . 15 GLU N . 15547 1 204 . 1 1 16 16 LEU H H 1 8.937 0.000 . 1 . . . . 16 LEU HN . 15547 1 205 . 1 1 16 16 LEU HA H 1 4.952 0.000 . 1 . . . . 16 LEU HA . 15547 1 206 . 1 1 16 16 LEU HB2 H 1 1.250 0.000 . 2 . . . . 16 LEU QB . 15547 1 207 . 1 1 16 16 LEU HB3 H 1 1.250 0.000 . 2 . . . . 16 LEU QB . 15547 1 208 . 1 1 16 16 LEU HD11 H 1 0.829 0.000 . 1 . . . . 16 LEU QD1 . 15547 1 209 . 1 1 16 16 LEU HD12 H 1 0.829 0.000 . 1 . . . . 16 LEU QD1 . 15547 1 210 . 1 1 16 16 LEU HD13 H 1 0.829 0.000 . 1 . . . . 16 LEU QD1 . 15547 1 211 . 1 1 16 16 LEU HD21 H 1 0.800 0.000 . 1 . . . . 16 LEU QD2 . 15547 1 212 . 1 1 16 16 LEU HD22 H 1 0.800 0.000 . 1 . . . . 16 LEU QD2 . 15547 1 213 . 1 1 16 16 LEU HD23 H 1 0.800 0.000 . 1 . . . . 16 LEU QD2 . 15547 1 214 . 1 1 16 16 LEU HG H 1 1.392 0.000 . 1 . . . . 16 LEU HG . 15547 1 215 . 1 1 16 16 LEU CA C 13 51.494 0.000 . 1 . . . . 16 LEU CA . 15547 1 216 . 1 1 16 16 LEU CB C 13 44.941 0.000 . 1 . . . . 16 LEU CB . 15547 1 217 . 1 1 16 16 LEU CD1 C 13 23.682 0.000 . 1 . . . . 16 LEU CD1 . 15547 1 218 . 1 1 16 16 LEU CD2 C 13 23.994 0.000 . 1 . . . . 16 LEU CD2 . 15547 1 219 . 1 1 16 16 LEU CG C 13 23.940 0.000 . 1 . . . . 16 LEU CG . 15547 1 220 . 1 1 16 16 LEU N N 15 126.803 0.000 . 1 . . . . 16 LEU N . 15547 1 221 . 1 1 17 17 PRO HA H 1 4.547 0.000 . 1 . . . . 17 PRO HA . 15547 1 222 . 1 1 17 17 PRO HB2 H 1 2.328 0.000 . 2 . . . . 17 PRO HB2 . 15547 1 223 . 1 1 17 17 PRO HB3 H 1 1.905 0.000 . 2 . . . . 17 PRO HB3 . 15547 1 224 . 1 1 17 17 PRO HD2 H 1 3.790 0.000 . 2 . . . . 17 PRO HD2 . 15547 1 225 . 1 1 17 17 PRO HD3 H 1 3.440 0.000 . 2 . . . . 17 PRO HD3 . 15547 1 226 . 1 1 17 17 PRO HG2 H 1 2.015 0.000 . 2 . . . . 17 PRO QG . 15547 1 227 . 1 1 17 17 PRO HG3 H 1 2.015 0.000 . 2 . . . . 17 PRO QG . 15547 1 228 . 1 1 17 17 PRO C C 13 175.472 0.000 . 1 . . . . 17 PRO C . 15547 1 229 . 1 1 17 17 PRO CA C 13 62.119 0.000 . 1 . . . . 17 PRO CA . 15547 1 230 . 1 1 17 17 PRO CB C 13 32.119 0.000 . 1 . . . . 17 PRO CB . 15547 1 231 . 1 1 17 17 PRO CD C 13 50.244 0.000 . 1 . . . . 17 PRO CD . 15547 1 232 . 1 1 17 17 PRO CG C 13 27.432 0.000 . 1 . . . . 17 PRO CG . 15547 1 233 . 1 1 18 18 ALA H H 1 7.892 0.000 . 1 . . . . 18 ALA HN . 15547 1 234 . 1 1 18 18 ALA HA H 1 4.065 0.000 . 1 . . . . 18 ALA HA . 15547 1 235 . 1 1 18 18 ALA HB1 H 1 1.253 0.000 . 1 . . . . 18 ALA QB . 15547 1 236 . 1 1 18 18 ALA HB2 H 1 1.253 0.000 . 1 . . . . 18 ALA QB . 15547 1 237 . 1 1 18 18 ALA HB3 H 1 1.253 0.000 . 1 . . . . 18 ALA QB . 15547 1 238 . 1 1 18 18 ALA C C 13 178.735 0.000 . 1 . . . . 18 ALA C . 15547 1 239 . 1 1 18 18 ALA CA C 13 53.060 0.000 . 1 . . . . 18 ALA CA . 15547 1 240 . 1 1 18 18 ALA CB C 13 18.063 0.000 . 1 . . . . 18 ALA CB . 15547 1 241 . 1 1 18 18 ALA N N 15 121.997 0.000 . 1 . . . . 18 ALA N . 15547 1 242 . 1 1 19 19 GLY H H 1 8.519 0.000 . 1 . . . . 19 GLY HN . 15547 1 243 . 1 1 19 19 GLY HA2 H 1 3.754 0.000 . 2 . . . . 19 GLY HA2 . 15547 1 244 . 1 1 19 19 GLY HA3 H 1 4.066 0.000 . 2 . . . . 19 GLY HA3 . 15547 1 245 . 1 1 19 19 GLY C C 13 174.376 0.000 . 1 . . . . 19 GLY C . 15547 1 246 . 1 1 19 19 GLY CA C 13 44.625 0.000 . 1 . . . . 19 GLY CA . 15547 1 247 . 1 1 19 19 GLY N N 15 110.335 0.000 . 1 . . . . 19 GLY N . 15547 1 248 . 1 1 20 20 ALA H H 1 7.459 0.000 . 1 . . . . 20 ALA HN . 15547 1 249 . 1 1 20 20 ALA HA H 1 4.210 0.000 . 1 . . . . 20 ALA HA . 15547 1 250 . 1 1 20 20 ALA HB1 H 1 1.360 0.000 . 1 . . . . 20 ALA QB . 15547 1 251 . 1 1 20 20 ALA HB2 H 1 1.360 0.000 . 1 . . . . 20 ALA QB . 15547 1 252 . 1 1 20 20 ALA HB3 H 1 1.360 0.000 . 1 . . . . 20 ALA QB . 15547 1 253 . 1 1 20 20 ALA C C 13 176.171 0.000 . 1 . . . . 20 ALA C . 15547 1 254 . 1 1 20 20 ALA CA C 13 52.751 0.000 . 1 . . . . 20 ALA CA . 15547 1 255 . 1 1 20 20 ALA CB C 13 20.563 0.000 . 1 . . . . 20 ALA CB . 15547 1 256 . 1 1 20 20 ALA N N 15 121.746 0.000 . 1 . . . . 20 ALA N . 15547 1 257 . 1 1 21 21 ARG H H 1 8.148 0.000 . 1 . . . . 21 ARG HN . 15547 1 258 . 1 1 21 21 ARG HA H 1 5.132 0.000 . 1 . . . . 21 ARG HA . 15547 1 259 . 1 1 21 21 ARG HB2 H 1 1.957 0.000 . 2 . . . . 21 ARG HB2 . 15547 1 260 . 1 1 21 21 ARG HB3 H 1 1.765 0.000 . 2 . . . . 21 ARG HB3 . 15547 1 261 . 1 1 21 21 ARG HD2 H 1 3.135 0.000 . 2 . . . . 21 ARG QD . 15547 1 262 . 1 1 21 21 ARG HD3 H 1 3.135 0.000 . 2 . . . . 21 ARG QD . 15547 1 263 . 1 1 21 21 ARG HG2 H 1 1.608 0.000 . 2 . . . . 21 ARG HG2 . 15547 1 264 . 1 1 21 21 ARG HG3 H 1 1.598 0.000 . 2 . . . . 21 ARG HG3 . 15547 1 265 . 1 1 21 21 ARG C C 13 178.292 0.000 . 1 . . . . 21 ARG C . 15547 1 266 . 1 1 21 21 ARG CA C 13 53.369 0.000 . 1 . . . . 21 ARG CA . 15547 1 267 . 1 1 21 21 ARG CB C 13 32.921 0.000 . 1 . . . . 21 ARG CB . 15547 1 268 . 1 1 21 21 ARG CD C 13 43.057 0.000 . 1 . . . . 21 ARG CD . 15547 1 269 . 1 1 21 21 ARG CG C 13 27.430 0.000 . 1 . . . . 21 ARG CG . 15547 1 270 . 1 1 21 21 ARG N N 15 118.121 0.000 . 1 . . . . 21 ARG N . 15547 1 271 . 1 1 22 22 ALA H H 1 8.867 0.000 . 1 . . . . 22 ALA HN . 15547 1 272 . 1 1 22 22 ALA HA H 1 3.799 0.000 . 1 . . . . 22 ALA HA . 15547 1 273 . 1 1 22 22 ALA HB1 H 1 1.467 0.000 . 1 . . . . 22 ALA QB . 15547 1 274 . 1 1 22 22 ALA HB2 H 1 1.467 0.000 . 1 . . . . 22 ALA QB . 15547 1 275 . 1 1 22 22 ALA HB3 H 1 1.467 0.000 . 1 . . . . 22 ALA QB . 15547 1 276 . 1 1 22 22 ALA C C 13 178.735 0.000 . 1 . . . . 22 ALA C . 15547 1 277 . 1 1 22 22 ALA CA C 13 55.872 0.000 . 1 . . . . 22 ALA CA . 15547 1 278 . 1 1 22 22 ALA CB C 13 18.375 0.000 . 1 . . . . 22 ALA CB . 15547 1 279 . 1 1 22 22 ALA N N 15 123.186 0.000 . 1 . . . . 22 ALA N . 15547 1 280 . 1 1 23 23 SER H H 1 8.383 0.000 . 1 . . . . 23 SER HN . 15547 1 281 . 1 1 23 23 SER HA H 1 4.205 0.000 . 1 . . . . 23 SER HA . 15547 1 282 . 1 1 23 23 SER HB2 H 1 3.957 0.000 . 2 . . . . 23 SER QB . 15547 1 283 . 1 1 23 23 SER HB3 H 1 3.957 0.000 . 2 . . . . 23 SER QB . 15547 1 284 . 1 1 23 23 SER C C 13 176.754 0.000 . 1 . . . . 23 SER C . 15547 1 285 . 1 1 23 23 SER CA C 13 60.557 0.000 . 1 . . . . 23 SER CA . 15547 1 286 . 1 1 23 23 SER CB C 13 61.807 0.000 . 1 . . . . 23 SER CB . 15547 1 287 . 1 1 23 23 SER N N 15 111.612 0.000 . 1 . . . . 23 SER N . 15547 1 288 . 1 1 24 24 GLN H H 1 7.744 0.000 . 1 . . . . 24 GLN HN . 15547 1 289 . 1 1 24 24 GLN HA H 1 4.173 0.000 . 1 . . . . 24 GLN HA . 15547 1 290 . 1 1 24 24 GLN HB2 H 1 2.354 0.000 . 2 . . . . 24 GLN HB2 . 15547 1 291 . 1 1 24 24 GLN HB3 H 1 2.113 0.000 . 2 . . . . 24 GLN HB3 . 15547 1 292 . 1 1 24 24 GLN HG2 H 1 2.438 0.000 . 2 . . . . 24 GLN HG2 . 15547 1 293 . 1 1 24 24 GLN HG3 H 1 2.359 0.000 . 2 . . . . 24 GLN HG3 . 15547 1 294 . 1 1 24 24 GLN C C 13 178.689 0.000 . 1 . . . . 24 GLN C . 15547 1 295 . 1 1 24 24 GLN CA C 13 58.682 0.000 . 1 . . . . 24 GLN CA . 15547 1 296 . 1 1 24 24 GLN CB C 13 28.682 0.000 . 1 . . . . 24 GLN CB . 15547 1 297 . 1 1 24 24 GLN CG C 13 35.244 0.000 . 1 . . . . 24 GLN CG . 15547 1 298 . 1 1 24 24 GLN N N 15 121.537 0.000 . 1 . . . . 24 GLN N . 15547 1 299 . 1 1 25 25 LEU H H 1 7.199 0.000 . 1 . . . . 25 LEU HN . 15547 1 300 . 1 1 25 25 LEU HA H 1 3.970 0.000 . 1 . . . . 25 LEU HA . 15547 1 301 . 1 1 25 25 LEU HB2 H 1 1.822 0.000 . 2 . . . . 25 LEU HB2 . 15547 1 302 . 1 1 25 25 LEU HB3 H 1 1.210 0.000 . 2 . . . . 25 LEU HB3 . 15547 1 303 . 1 1 25 25 LEU HD11 H 1 0.356 0.000 . 1 . . . . 25 LEU QD1 . 15547 1 304 . 1 1 25 25 LEU HD12 H 1 0.356 0.000 . 1 . . . . 25 LEU QD1 . 15547 1 305 . 1 1 25 25 LEU HD13 H 1 0.356 0.000 . 1 . . . . 25 LEU QD1 . 15547 1 306 . 1 1 25 25 LEU HD21 H 1 0.603 0.000 . 1 . . . . 25 LEU QD2 . 15547 1 307 . 1 1 25 25 LEU HD22 H 1 0.603 0.000 . 1 . . . . 25 LEU QD2 . 15547 1 308 . 1 1 25 25 LEU HD23 H 1 0.603 0.000 . 1 . . . . 25 LEU QD2 . 15547 1 309 . 1 1 25 25 LEU HG H 1 1.214 0.000 . 1 . . . . 25 LEU HG . 15547 1 310 . 1 1 25 25 LEU C C 13 177.966 0.000 . 1 . . . . 25 LEU C . 15547 1 311 . 1 1 25 25 LEU CA C 13 56.810 0.000 . 1 . . . . 25 LEU CA . 15547 1 312 . 1 1 25 25 LEU CB C 13 41.494 0.000 . 1 . . . . 25 LEU CB . 15547 1 313 . 1 1 25 25 LEU CD1 C 13 22.750 0.000 . 1 . . . . 25 LEU CD1 . 15547 1 314 . 1 1 25 25 LEU CD2 C 13 26.500 0.000 . 1 . . . . 25 LEU CD2 . 15547 1 315 . 1 1 25 25 LEU CG C 13 26.807 0.000 . 1 . . . . 25 LEU CG . 15547 1 316 . 1 1 25 25 LEU N N 15 119.709 0.000 . 1 . . . . 25 LEU N . 15547 1 317 . 1 1 26 26 SER H H 1 8.650 0.000 . 1 . . . . 26 SER HN . 15547 1 318 . 1 1 26 26 SER HA H 1 3.970 0.000 . 1 . . . . 26 SER HA . 15547 1 319 . 1 1 26 26 SER HB2 H 1 3.957 0.000 . 2 . . . . 26 SER QB . 15547 1 320 . 1 1 26 26 SER HB3 H 1 3.957 0.000 . 2 . . . . 26 SER QB . 15547 1 321 . 1 1 26 26 SER C C 13 176.917 0.000 . 1 . . . . 26 SER C . 15547 1 322 . 1 1 26 26 SER CA C 13 62.744 0.000 . 1 . . . . 26 SER CA . 15547 1 323 . 1 1 26 26 SER CB C 13 62.119 0.000 . 1 . . . . 26 SER CB . 15547 1 324 . 1 1 26 26 SER N N 15 114.988 0.000 . 1 . . . . 26 SER N . 15547 1 325 . 1 1 27 27 ASN H H 1 7.876 0.000 . 1 . . . . 27 ASN HN . 15547 1 326 . 1 1 27 27 ASN HA H 1 4.517 0.000 . 1 . . . . 27 ASN HA . 15547 1 327 . 1 1 27 27 ASN HB2 H 1 2.846 0.000 . 2 . . . . 27 ASN QB . 15547 1 328 . 1 1 27 27 ASN HB3 H 1 2.846 0.000 . 2 . . . . 27 ASN QB . 15547 1 329 . 1 1 27 27 ASN C C 13 177.197 0.000 . 1 . . . . 27 ASN C . 15547 1 330 . 1 1 27 27 ASN CA C 13 55.869 0.000 . 1 . . . . 27 ASN CA . 15547 1 331 . 1 1 27 27 ASN CB C 13 38.369 0.000 . 1 . . . . 27 ASN CB . 15547 1 332 . 1 1 27 27 ASN N N 15 118.197 0.000 . 1 . . . . 27 ASN N . 15547 1 333 . 1 1 28 28 LEU H H 1 7.433 0.000 . 1 . . . . 28 LEU HN . 15547 1 334 . 1 1 28 28 LEU HA H 1 4.219 0.000 . 1 . . . . 28 LEU HA . 15547 1 335 . 1 1 28 28 LEU HB2 H 1 1.761 0.000 . 2 . . . . 28 LEU QB . 15547 1 336 . 1 1 28 28 LEU HB3 H 1 1.761 0.000 . 2 . . . . 28 LEU QB . 15547 1 337 . 1 1 28 28 LEU HD11 H 1 0.917 0.000 . 1 . . . . 28 LEU QD1 . 15547 1 338 . 1 1 28 28 LEU HD12 H 1 0.917 0.000 . 1 . . . . 28 LEU QD1 . 15547 1 339 . 1 1 28 28 LEU HD13 H 1 0.917 0.000 . 1 . . . . 28 LEU QD1 . 15547 1 340 . 1 1 28 28 LEU HD21 H 1 0.906 0.000 . 1 . . . . 28 LEU QD2 . 15547 1 341 . 1 1 28 28 LEU HD22 H 1 0.906 0.000 . 1 . . . . 28 LEU QD2 . 15547 1 342 . 1 1 28 28 LEU HD23 H 1 0.906 0.000 . 1 . . . . 28 LEU QD2 . 15547 1 343 . 1 1 28 28 LEU HG H 1 1.510 0.000 . 1 . . . . 28 LEU HG . 15547 1 344 . 1 1 28 28 LEU C C 13 179.411 0.000 . 1 . . . . 28 LEU C . 15547 1 345 . 1 1 28 28 LEU CA C 13 57.122 0.000 . 1 . . . . 28 LEU CA . 15547 1 346 . 1 1 28 28 LEU CB C 13 41.984 0.000 . 1 . . . . 28 LEU CB . 15547 1 347 . 1 1 28 28 LEU CD1 C 13 23.063 0.000 . 1 . . . . 28 LEU CD1 . 15547 1 348 . 1 1 28 28 LEU CD2 C 13 23.063 0.000 . 1 . . . . 28 LEU CD2 . 15547 1 349 . 1 1 28 28 LEU CG C 13 26.950 0.000 . 1 . . . . 28 LEU CG . 15547 1 350 . 1 1 28 28 LEU N N 15 120.223 0.000 . 1 . . . . 28 LEU N . 15547 1 351 . 1 1 29 29 LEU H H 1 7.866 0.000 . 1 . . . . 29 LEU HN . 15547 1 352 . 1 1 29 29 LEU HA H 1 4.091 0.000 . 1 . . . . 29 LEU HA . 15547 1 353 . 1 1 29 29 LEU HB2 H 1 1.664 0.000 . 2 . . . . 29 LEU QB . 15547 1 354 . 1 1 29 29 LEU HB3 H 1 1.664 0.000 . 2 . . . . 29 LEU QB . 15547 1 355 . 1 1 29 29 LEU HD11 H 1 0.471 0.000 . 1 . . . . 29 LEU QD1 . 15547 1 356 . 1 1 29 29 LEU HD12 H 1 0.471 0.000 . 1 . . . . 29 LEU QD1 . 15547 1 357 . 1 1 29 29 LEU HD13 H 1 0.471 0.000 . 1 . . . . 29 LEU QD1 . 15547 1 358 . 1 1 29 29 LEU HD21 H 1 0.556 0.000 . 1 . . . . 29 LEU QD2 . 15547 1 359 . 1 1 29 29 LEU HD22 H 1 0.556 0.000 . 1 . . . . 29 LEU QD2 . 15547 1 360 . 1 1 29 29 LEU HD23 H 1 0.556 0.000 . 1 . . . . 29 LEU QD2 . 15547 1 361 . 1 1 29 29 LEU HG H 1 1.394 0.000 . 1 . . . . 29 LEU HG . 15547 1 362 . 1 1 29 29 LEU C C 13 178.386 0.000 . 1 . . . . 29 LEU C . 15547 1 363 . 1 1 29 29 LEU CA C 13 56.497 0.000 . 1 . . . . 29 LEU CA . 15547 1 364 . 1 1 29 29 LEU CB C 13 42.124 0.000 . 1 . . . . 29 LEU CB . 15547 1 365 . 1 1 29 29 LEU CD1 C 13 25.875 0.000 . 1 . . . . 29 LEU CD1 . 15547 1 366 . 1 1 29 29 LEU CD2 C 13 23.375 0.000 . 1 . . . . 29 LEU CD2 . 15547 1 367 . 1 1 29 29 LEU CG C 13 25.925 0.000 . 1 . . . . 29 LEU CG . 15547 1 368 . 1 1 29 29 LEU N N 15 119.017 0.000 . 1 . . . . 29 LEU N . 15547 1 369 . 1 1 30 30 SER H H 1 8.117 0.000 . 1 . . . . 30 SER HN . 15547 1 370 . 1 1 30 30 SER HA H 1 4.615 0.000 . 1 . . . . 30 SER HA . 15547 1 371 . 1 1 30 30 SER HB2 H 1 4.039 0.000 . 2 . . . . 30 SER QB . 15547 1 372 . 1 1 30 30 SER HB3 H 1 4.039 0.000 . 2 . . . . 30 SER QB . 15547 1 373 . 1 1 30 30 SER C C 13 175.145 0.000 . 1 . . . . 30 SER C . 15547 1 374 . 1 1 30 30 SER CA C 13 59.932 0.000 . 1 . . . . 30 SER CA . 15547 1 375 . 1 1 30 30 SER CB C 13 63.057 0.000 . 1 . . . . 30 SER CB . 15547 1 376 . 1 1 30 30 SER N N 15 114.044 0.000 . 1 . . . . 30 SER N . 15547 1 377 . 1 1 31 31 SER H H 1 8.084 0.000 . 1 . . . . 31 SER HN . 15547 1 378 . 1 1 31 31 SER HA H 1 4.535 0.000 . 1 . . . . 31 SER HA . 15547 1 379 . 1 1 31 31 SER HB2 H 1 4.262 0.000 . 2 . . . . 31 SER QB . 15547 1 380 . 1 1 31 31 SER HB3 H 1 4.262 0.000 . 2 . . . . 31 SER QB . 15547 1 381 . 1 1 31 31 SER CA C 13 58.994 0.000 . 1 . . . . 31 SER CA . 15547 1 382 . 1 1 31 31 SER CB C 13 63.682 0.000 . 1 . . . . 31 SER CB . 15547 1 383 . 1 1 31 31 SER N N 15 115.938 0.000 . 1 . . . . 31 SER N . 15547 1 384 . 1 1 32 32 SER HA H 1 4.547 0.000 . 1 . . . . 32 SER HA . 15547 1 385 . 1 1 32 32 SER HB2 H 1 4.038 0.000 . 2 . . . . 32 SER QB . 15547 1 386 . 1 1 32 32 SER HB3 H 1 4.038 0.000 . 2 . . . . 32 SER QB . 15547 1 387 . 1 1 32 32 SER CA C 13 58.682 0.000 . 1 . . . . 32 SER CA . 15547 1 388 . 1 1 32 32 SER CB C 13 63.369 0.000 . 1 . . . . 32 SER CB . 15547 1 389 . 1 1 33 33 GLY H H 1 8.080 0.000 . 1 . . . . 33 GLY HN . 15547 1 390 . 1 1 33 33 GLY HA2 H 1 3.786 0.000 . 2 . . . . 33 GLY HA2 . 15547 1 391 . 1 1 33 33 GLY HA3 H 1 4.160 0.000 . 2 . . . . 33 GLY HA3 . 15547 1 392 . 1 1 33 33 GLY C C 13 173.746 0.000 . 1 . . . . 33 GLY C . 15547 1 393 . 1 1 33 33 GLY CA C 13 45.561 0.000 . 1 . . . . 33 GLY CA . 15547 1 394 . 1 1 33 33 GLY N N 15 109.530 0.000 . 1 . . . . 33 GLY N . 15547 1 395 . 1 1 34 34 MET H H 1 7.781 0.000 . 1 . . . . 34 MET HN . 15547 1 396 . 1 1 34 34 MET HA H 1 4.371 0.000 . 1 . . . . 34 MET HA . 15547 1 397 . 1 1 34 34 MET HB2 H 1 1.765 0.000 . 2 . . . . 34 MET HB2 . 15547 1 398 . 1 1 34 34 MET HB3 H 1 1.661 0.000 . 2 . . . . 34 MET HB3 . 15547 1 399 . 1 1 34 34 MET HG2 H 1 2.302 0.000 . 2 . . . . 34 MET QG . 15547 1 400 . 1 1 34 34 MET HG3 H 1 2.302 0.000 . 2 . . . . 34 MET QG . 15547 1 401 . 1 1 34 34 MET C C 13 174.073 0.000 . 1 . . . . 34 MET C . 15547 1 402 . 1 1 34 34 MET CA C 13 54.619 0.000 . 1 . . . . 34 MET CA . 15547 1 403 . 1 1 34 34 MET CB C 13 33.994 0.000 . 1 . . . . 34 MET CB . 15547 1 404 . 1 1 34 34 MET CG C 13 31.807 0.000 . 1 . . . . 34 MET CG . 15547 1 405 . 1 1 34 34 MET N N 15 119.527 0.000 . 1 . . . . 34 MET N . 15547 1 406 . 1 1 35 35 ALA H H 1 7.956 0.000 . 1 . . . . 35 ALA HN . 15547 1 407 . 1 1 35 35 ALA HA H 1 4.374 0.000 . 1 . . . . 35 ALA HA . 15547 1 408 . 1 1 35 35 ALA HB1 H 1 1.210 0.000 . 1 . . . . 35 ALA QB . 15547 1 409 . 1 1 35 35 ALA HB2 H 1 1.210 0.000 . 1 . . . . 35 ALA QB . 15547 1 410 . 1 1 35 35 ALA HB3 H 1 1.210 0.000 . 1 . . . . 35 ALA QB . 15547 1 411 . 1 1 35 35 ALA C C 13 175.915 0.000 . 1 . . . . 35 ALA C . 15547 1 412 . 1 1 35 35 ALA CA C 13 51.185 0.000 . 1 . . . . 35 ALA CA . 15547 1 413 . 1 1 35 35 ALA CB C 13 19.000 0.000 . 1 . . . . 35 ALA CB . 15547 1 414 . 1 1 35 35 ALA N N 15 125.314 0.000 . 1 . . . . 35 ALA N . 15547 1 415 . 1 1 36 36 PHE H H 1 7.838 0.000 . 1 . . . . 36 PHE HN . 15547 1 416 . 1 1 36 36 PHE HA H 1 4.858 0.000 . 1 . . . . 36 PHE HA . 15547 1 417 . 1 1 36 36 PHE HB2 H 1 2.938 0.000 . 2 . . . . 36 PHE HB2 . 15547 1 418 . 1 1 36 36 PHE HB3 H 1 2.613 0.000 . 2 . . . . 36 PHE HB3 . 15547 1 419 . 1 1 36 36 PHE HD1 H 1 6.962 0.000 . 3 . . . . 36 PHE QD . 15547 1 420 . 1 1 36 36 PHE HD2 H 1 6.962 0.000 . 3 . . . . 36 PHE QD . 15547 1 421 . 1 1 36 36 PHE HE1 H 1 7.210 0.000 . 3 . . . . 36 PHE QE . 15547 1 422 . 1 1 36 36 PHE HE2 H 1 7.210 0.000 . 3 . . . . 36 PHE QE . 15547 1 423 . 1 1 36 36 PHE HZ H 1 7.235 0.000 . 1 . . . . 36 PHE HZ . 15547 1 424 . 1 1 36 36 PHE C C 13 175.868 0.000 . 1 . . . . 36 PHE C . 15547 1 425 . 1 1 36 36 PHE CA C 13 57.122 0.000 . 1 . . . . 36 PHE CA . 15547 1 426 . 1 1 36 36 PHE CB C 13 41.812 0.000 . 1 . . . . 36 PHE CB . 15547 1 427 . 1 1 36 36 PHE N N 15 117.347 0.000 . 1 . . . . 36 PHE N . 15547 1 428 . 1 1 37 37 SER H H 1 8.943 0.000 . 1 . . . . 37 SER HN . 15547 1 429 . 1 1 37 37 SER HA H 1 4.623 0.000 . 1 . . . . 37 SER HA . 15547 1 430 . 1 1 37 37 SER HB2 H 1 3.769 0.000 . 2 . . . . 37 SER HB2 . 15547 1 431 . 1 1 37 37 SER HB3 H 1 3.576 0.000 . 2 . . . . 37 SER HB3 . 15547 1 432 . 1 1 37 37 SER C C 13 173.490 0.000 . 1 . . . . 37 SER C . 15547 1 433 . 1 1 37 37 SER CA C 13 57.432 0.000 . 1 . . . . 37 SER CA . 15547 1 434 . 1 1 37 37 SER CB C 13 63.994 0.000 . 1 . . . . 37 SER CB . 15547 1 435 . 1 1 37 37 SER N N 15 117.034 0.000 . 1 . . . . 37 SER N . 15547 1 436 . 1 1 38 38 LEU H H 1 8.787 0.000 . 1 . . . . 38 LEU HN . 15547 1 437 . 1 1 38 38 LEU HA H 1 5.072 0.000 . 1 . . . . 38 LEU HA . 15547 1 438 . 1 1 38 38 LEU HB2 H 1 1.961 0.000 . 2 . . . . 38 LEU HB2 . 15547 1 439 . 1 1 38 38 LEU HB3 H 1 1.116 0.000 . 2 . . . . 38 LEU HB3 . 15547 1 440 . 1 1 38 38 LEU HD11 H 1 0.825 0.000 . 1 . . . . 38 LEU QD1 . 15547 1 441 . 1 1 38 38 LEU HD12 H 1 0.825 0.000 . 1 . . . . 38 LEU QD1 . 15547 1 442 . 1 1 38 38 LEU HD13 H 1 0.825 0.000 . 1 . . . . 38 LEU QD1 . 15547 1 443 . 1 1 38 38 LEU HD21 H 1 0.633 0.000 . 1 . . . . 38 LEU QD2 . 15547 1 444 . 1 1 38 38 LEU HD22 H 1 0.633 0.000 . 1 . . . . 38 LEU QD2 . 15547 1 445 . 1 1 38 38 LEU HD23 H 1 0.633 0.000 . 1 . . . . 38 LEU QD2 . 15547 1 446 . 1 1 38 38 LEU HG H 1 1.716 0.000 . 1 . . . . 38 LEU HG . 15547 1 447 . 1 1 38 38 LEU C C 13 175.467 0.000 . 1 . . . . 38 LEU C . 15547 1 448 . 1 1 38 38 LEU CA C 13 53.994 0.000 . 1 . . . . 38 LEU CA . 15547 1 449 . 1 1 38 38 LEU CB C 13 43.057 0.000 . 1 . . . . 38 LEU CB . 15547 1 450 . 1 1 38 38 LEU CD1 C 13 25.869 0.000 . 1 . . . . 38 LEU CD1 . 15547 1 451 . 1 1 38 38 LEU CD2 C 13 22.432 0.000 . 1 . . . . 38 LEU CD2 . 15547 1 452 . 1 1 38 38 LEU CG C 13 26.182 0.000 . 1 . . . . 38 LEU CG . 15547 1 453 . 1 1 38 38 LEU N N 15 124.534 0.000 . 1 . . . . 38 LEU N . 15547 1 454 . 1 1 39 39 HIS H H 1 9.132 0.000 . 1 . . . . 39 HIS HN . 15547 1 455 . 1 1 39 39 HIS HA H 1 5.434 0.000 . 1 . . . . 39 HIS HA . 15547 1 456 . 1 1 39 39 HIS HB2 H 1 2.994 0.000 . 2 . . . . 39 HIS QB . 15547 1 457 . 1 1 39 39 HIS HB3 H 1 2.994 0.000 . 2 . . . . 39 HIS QB . 15547 1 458 . 1 1 39 39 HIS C C 13 174.656 0.000 . 1 . . . . 39 HIS C . 15547 1 459 . 1 1 39 39 HIS CA C 13 53.994 0.000 . 1 . . . . 39 HIS CA . 15547 1 460 . 1 1 39 39 HIS CB C 13 35.869 0.000 . 1 . . . . 39 HIS CB . 15547 1 461 . 1 1 39 39 HIS N N 15 121.803 0.000 . 1 . . . . 39 HIS N . 15547 1 462 . 1 1 40 40 THR H H 1 9.101 0.000 . 1 . . . . 40 THR HN . 15547 1 463 . 1 1 40 40 THR HA H 1 4.947 0.000 . 1 . . . . 40 THR HA . 15547 1 464 . 1 1 40 40 THR HB H 1 4.160 0.000 . 1 . . . . 40 THR HB . 15547 1 465 . 1 1 40 40 THR HG21 H 1 1.185 0.000 . 1 . . . . 40 THR QG2 . 15547 1 466 . 1 1 40 40 THR HG22 H 1 1.185 0.000 . 1 . . . . 40 THR QG2 . 15547 1 467 . 1 1 40 40 THR HG23 H 1 1.185 0.000 . 1 . . . . 40 THR QG2 . 15547 1 468 . 1 1 40 40 THR C C 13 173.373 0.000 . 1 . . . . 40 THR C . 15547 1 469 . 1 1 40 40 THR CA C 13 60.872 0.000 . 1 . . . . 40 THR CA . 15547 1 470 . 1 1 40 40 THR CB C 13 69.934 0.000 . 1 . . . . 40 THR CB . 15547 1 471 . 1 1 40 40 THR CG2 C 13 19.619 0.000 . 1 . . . . 40 THR CG2 . 15547 1 472 . 1 1 40 40 THR N N 15 114.826 0.000 . 1 . . . . 40 THR N . 15547 1 473 . 1 1 41 41 GLN H H 1 9.462 0.000 . 1 . . . . 41 GLN HN . 15547 1 474 . 1 1 41 41 GLN HA H 1 3.967 0.000 . 1 . . . . 41 GLN HA . 15547 1 475 . 1 1 41 41 GLN HB2 H 1 2.326 0.000 . 2 . . . . 41 GLN HB2 . 15547 1 476 . 1 1 41 41 GLN HB3 H 1 2.156 0.000 . 2 . . . . 41 GLN HB3 . 15547 1 477 . 1 1 41 41 GLN HG2 H 1 2.506 0.000 . 2 . . . . 41 GLN HG2 . 15547 1 478 . 1 1 41 41 GLN HG3 H 1 2.409 0.000 . 2 . . . . 41 GLN HG3 . 15547 1 479 . 1 1 41 41 GLN C C 13 176.031 0.000 . 1 . . . . 41 GLN C . 15547 1 480 . 1 1 41 41 GLN CA C 13 56.809 0.000 . 1 . . . . 41 GLN CA . 15547 1 481 . 1 1 41 41 GLN CB C 13 27.119 0.000 . 1 . . . . 41 GLN CB . 15547 1 482 . 1 1 41 41 GLN CG C 13 34.307 0.000 . 1 . . . . 41 GLN CG . 15547 1 483 . 1 1 41 41 GLN N N 15 125.458 0.000 . 1 . . . . 41 GLN N . 15547 1 484 . 1 1 42 42 GLY H H 1 9.114 0.000 . 1 . . . . 42 GLY HN . 15547 1 485 . 1 1 42 42 GLY HA2 H 1 3.681 0.000 . 2 . . . . 42 GLY HA2 . 15547 1 486 . 1 1 42 42 GLY HA3 H 1 4.177 0.000 . 2 . . . . 42 GLY HA3 . 15547 1 487 . 1 1 42 42 GLY C C 13 173.977 0.000 . 1 . . . . 42 GLY C . 15547 1 488 . 1 1 42 42 GLY CA C 13 45.557 0.000 . 1 . . . . 42 GLY CA . 15547 1 489 . 1 1 42 42 GLY N N 15 105.029 0.000 . 1 . . . . 42 GLY N . 15547 1 490 . 1 1 43 43 ARG H H 1 8.140 0.000 . 1 . . . . 43 ARG HN . 15547 1 491 . 1 1 43 43 ARG HA H 1 4.725 0.000 . 1 . . . . 43 ARG HA . 15547 1 492 . 1 1 43 43 ARG HB2 H 1 1.852 0.000 . 2 . . . . 43 ARG QB . 15547 1 493 . 1 1 43 43 ARG HB3 H 1 1.852 0.000 . 2 . . . . 43 ARG QB . 15547 1 494 . 1 1 43 43 ARG HD2 H 1 3.203 0.000 . 2 . . . . 43 ARG QD . 15547 1 495 . 1 1 43 43 ARG HD3 H 1 3.203 0.000 . 2 . . . . 43 ARG QD . 15547 1 496 . 1 1 43 43 ARG HG2 H 1 1.689 0.000 . 2 . . . . 43 ARG HG2 . 15547 1 497 . 1 1 43 43 ARG HG3 H 1 1.596 0.000 . 2 . . . . 43 ARG HG3 . 15547 1 498 . 1 1 43 43 ARG CA C 13 53.994 0.000 . 1 . . . . 43 ARG CA . 15547 1 499 . 1 1 43 43 ARG CB C 13 32.744 0.000 . 1 . . . . 43 ARG CB . 15547 1 500 . 1 1 43 43 ARG CD C 13 43.369 0.000 . 1 . . . . 43 ARG CD . 15547 1 501 . 1 1 43 43 ARG CG C 13 26.807 0.000 . 1 . . . . 43 ARG CG . 15547 1 502 . 1 1 43 43 ARG N N 15 121.025 0.000 . 1 . . . . 43 ARG N . 15547 1 503 . 1 1 44 44 VAL HA H 1 3.819 0.000 . 1 . . . . 44 VAL HA . 15547 1 504 . 1 1 44 44 VAL HB H 1 1.837 0.000 . 1 . . . . 44 VAL HB . 15547 1 505 . 1 1 44 44 VAL HG11 H 1 0.825 0.000 . 1 . . . . 44 VAL QG1 . 15547 1 506 . 1 1 44 44 VAL HG12 H 1 0.825 0.000 . 1 . . . . 44 VAL QG1 . 15547 1 507 . 1 1 44 44 VAL HG13 H 1 0.825 0.000 . 1 . . . . 44 VAL QG1 . 15547 1 508 . 1 1 44 44 VAL HG21 H 1 0.787 0.000 . 1 . . . . 44 VAL QG2 . 15547 1 509 . 1 1 44 44 VAL HG22 H 1 0.787 0.000 . 1 . . . . 44 VAL QG2 . 15547 1 510 . 1 1 44 44 VAL HG23 H 1 0.787 0.000 . 1 . . . . 44 VAL QG2 . 15547 1 511 . 1 1 44 44 VAL C C 13 176.124 0.000 . 1 . . . . 44 VAL C . 15547 1 512 . 1 1 44 44 VAL CA C 13 62.747 0.000 . 1 . . . . 44 VAL CA . 15547 1 513 . 1 1 44 44 VAL CB C 13 32.125 0.000 . 1 . . . . 44 VAL CB . 15547 1 514 . 1 1 44 44 VAL CG1 C 13 20.563 0.000 . 1 . . . . 44 VAL CG1 . 15547 1 515 . 1 1 44 44 VAL CG2 C 13 21.813 0.000 . 1 . . . . 44 VAL CG2 . 15547 1 516 . 1 1 45 45 LEU H H 1 8.513 0.000 . 1 . . . . 45 LEU HN . 15547 1 517 . 1 1 45 45 LEU HA H 1 4.388 0.000 . 1 . . . . 45 LEU HA . 15547 1 518 . 1 1 45 45 LEU HB2 H 1 1.372 0.000 . 2 . . . . 45 LEU QB . 15547 1 519 . 1 1 45 45 LEU HB3 H 1 1.372 0.000 . 2 . . . . 45 LEU QB . 15547 1 520 . 1 1 45 45 LEU HD11 H 1 0.706 0.000 . 1 . . . . 45 LEU QD1 . 15547 1 521 . 1 1 45 45 LEU HD12 H 1 0.706 0.000 . 1 . . . . 45 LEU QD1 . 15547 1 522 . 1 1 45 45 LEU HD13 H 1 0.706 0.000 . 1 . . . . 45 LEU QD1 . 15547 1 523 . 1 1 45 45 LEU HD21 H 1 0.730 0.000 . 1 . . . . 45 LEU QD2 . 15547 1 524 . 1 1 45 45 LEU HD22 H 1 0.730 0.000 . 1 . . . . 45 LEU QD2 . 15547 1 525 . 1 1 45 45 LEU HD23 H 1 0.730 0.000 . 1 . . . . 45 LEU QD2 . 15547 1 526 . 1 1 45 45 LEU HG H 1 1.486 0.000 . 1 . . . . 45 LEU HG . 15547 1 527 . 1 1 45 45 LEU C C 13 177.197 0.000 . 1 . . . . 45 LEU C . 15547 1 528 . 1 1 45 45 LEU CA C 13 53.682 0.000 . 1 . . . . 45 LEU CA . 15547 1 529 . 1 1 45 45 LEU CB C 13 42.437 0.000 . 1 . . . . 45 LEU CB . 15547 1 530 . 1 1 45 45 LEU CD1 C 13 25.244 0.000 . 1 . . . . 45 LEU CD1 . 15547 1 531 . 1 1 45 45 LEU CD2 C 13 24.619 0.000 . 1 . . . . 45 LEU CD2 . 15547 1 532 . 1 1 45 45 LEU CG C 13 26.812 0.000 . 1 . . . . 45 LEU CG . 15547 1 533 . 1 1 45 45 LEU N N 15 129.261 0.000 . 1 . . . . 45 LEU N . 15547 1 534 . 1 1 46 46 SER H H 1 8.238 0.000 . 1 . . . . 46 SER HN . 15547 1 535 . 1 1 46 46 SER HA H 1 4.441 0.000 . 1 . . . . 46 SER HA . 15547 1 536 . 1 1 46 46 SER HB2 H 1 4.114 0.000 . 2 . . . . 46 SER HB2 . 15547 1 537 . 1 1 46 46 SER HB3 H 1 3.875 0.000 . 2 . . . . 46 SER HB3 . 15547 1 538 . 1 1 46 46 SER C C 13 175.052 0.000 . 1 . . . . 46 SER C . 15547 1 539 . 1 1 46 46 SER CA C 13 57.744 0.000 . 1 . . . . 46 SER CA . 15547 1 540 . 1 1 46 46 SER CB C 13 63.682 0.000 . 1 . . . . 46 SER CB . 15547 1 541 . 1 1 46 46 SER N N 15 116.459 0.000 . 1 . . . . 46 SER N . 15547 1 542 . 1 1 47 47 GLU H H 1 8.743 0.000 . 1 . . . . 47 GLU HN . 15547 1 543 . 1 1 47 47 GLU HA H 1 4.009 0.000 . 1 . . . . 47 GLU HA . 15547 1 544 . 1 1 47 47 GLU HB2 H 1 2.053 0.000 . 2 . . . . 47 GLU QB . 15547 1 545 . 1 1 47 47 GLU HB3 H 1 2.053 0.000 . 2 . . . . 47 GLU QB . 15547 1 546 . 1 1 47 47 GLU HG2 H 1 2.335 0.000 . 2 . . . . 47 GLU QG . 15547 1 547 . 1 1 47 47 GLU HG3 H 1 2.335 0.000 . 2 . . . . 47 GLU QG . 15547 1 548 . 1 1 47 47 GLU C C 13 176.054 0.000 . 1 . . . . 47 GLU C . 15547 1 549 . 1 1 47 47 GLU CA C 13 59.307 0.000 . 1 . . . . 47 GLU CA . 15547 1 550 . 1 1 47 47 GLU CB C 13 29.619 0.000 . 1 . . . . 47 GLU CB . 15547 1 551 . 1 1 47 47 GLU CG C 13 36.182 0.000 . 1 . . . . 47 GLU CG . 15547 1 552 . 1 1 47 47 GLU N N 15 121.669 0.000 . 1 . . . . 47 GLU N . 15547 1 553 . 1 1 48 48 ALA H H 1 7.738 0.000 . 1 . . . . 48 ALA HN . 15547 1 554 . 1 1 48 48 ALA HA H 1 4.477 0.000 . 1 . . . . 48 ALA HA . 15547 1 555 . 1 1 48 48 ALA HB1 H 1 1.382 0.000 . 1 . . . . 48 ALA QB . 15547 1 556 . 1 1 48 48 ALA HB2 H 1 1.382 0.000 . 1 . . . . 48 ALA QB . 15547 1 557 . 1 1 48 48 ALA HB3 H 1 1.382 0.000 . 1 . . . . 48 ALA QB . 15547 1 558 . 1 1 48 48 ALA C C 13 177.267 0.000 . 1 . . . . 48 ALA C . 15547 1 559 . 1 1 48 48 ALA CA C 13 50.873 0.000 . 1 . . . . 48 ALA CA . 15547 1 560 . 1 1 48 48 ALA CB C 13 19.000 0.000 . 1 . . . . 48 ALA CB . 15547 1 561 . 1 1 48 48 ALA N N 15 117.799 0.000 . 1 . . . . 48 ALA N . 15547 1 562 . 1 1 49 49 ALA H H 1 7.597 0.000 . 1 . . . . 49 ALA HN . 15547 1 563 . 1 1 49 49 ALA HA H 1 4.086 0.000 . 1 . . . . 49 ALA HA . 15547 1 564 . 1 1 49 49 ALA HB1 H 1 1.428 0.000 . 1 . . . . 49 ALA QB . 15547 1 565 . 1 1 49 49 ALA HB2 H 1 1.428 0.000 . 1 . . . . 49 ALA QB . 15547 1 566 . 1 1 49 49 ALA HB3 H 1 1.428 0.000 . 1 . . . . 49 ALA QB . 15547 1 567 . 1 1 49 49 ALA C C 13 177.104 0.000 . 1 . . . . 49 ALA C . 15547 1 568 . 1 1 49 49 ALA CA C 13 52.748 0.000 . 1 . . . . 49 ALA CA . 15547 1 569 . 1 1 49 49 ALA CB C 13 19.938 0.000 . 1 . . . . 49 ALA CB . 15547 1 570 . 1 1 49 49 ALA N N 15 122.785 0.000 . 1 . . . . 49 ALA N . 15547 1 571 . 1 1 50 50 GLU H H 1 8.511 0.000 . 1 . . . . 50 GLU HN . 15547 1 572 . 1 1 50 50 GLU HA H 1 4.140 0.000 . 1 . . . . 50 GLU HA . 15547 1 573 . 1 1 50 50 GLU HB2 H 1 1.986 0.000 . 2 . . . . 50 GLU HB2 . 15547 1 574 . 1 1 50 50 GLU HB3 H 1 1.906 0.000 . 2 . . . . 50 GLU HB3 . 15547 1 575 . 1 1 50 50 GLU HG2 H 1 2.261 0.000 . 2 . . . . 50 GLU QG . 15547 1 576 . 1 1 50 50 GLU HG3 H 1 2.261 0.000 . 2 . . . . 50 GLU QG . 15547 1 577 . 1 1 50 50 GLU C C 13 176.054 0.000 . 1 . . . . 50 GLU C . 15547 1 578 . 1 1 50 50 GLU CA C 13 56.807 0.000 . 1 . . . . 50 GLU CA . 15547 1 579 . 1 1 50 50 GLU CB C 13 30.557 0.000 . 1 . . . . 50 GLU CB . 15547 1 580 . 1 1 50 50 GLU CG C 13 36.494 0.000 . 1 . . . . 50 GLU CG . 15547 1 581 . 1 1 50 50 GLU N N 15 121.303 0.000 . 1 . . . . 50 GLU N . 15547 1 582 . 1 1 51 51 LEU H H 1 8.047 0.000 . 1 . . . . 51 LEU HN . 15547 1 583 . 1 1 51 51 LEU HA H 1 4.501 0.000 . 1 . . . . 51 LEU HA . 15547 1 584 . 1 1 51 51 LEU HB2 H 1 1.595 0.000 . 2 . . . . 51 LEU QB . 15547 1 585 . 1 1 51 51 LEU HB3 H 1 1.595 0.000 . 2 . . . . 51 LEU QB . 15547 1 586 . 1 1 51 51 LEU HD11 H 1 0.697 0.000 . 1 . . . . 51 LEU QD1 . 15547 1 587 . 1 1 51 51 LEU HD12 H 1 0.697 0.000 . 1 . . . . 51 LEU QD1 . 15547 1 588 . 1 1 51 51 LEU HD13 H 1 0.697 0.000 . 1 . . . . 51 LEU QD1 . 15547 1 589 . 1 1 51 51 LEU HD21 H 1 0.822 0.000 . 1 . . . . 51 LEU QD2 . 15547 1 590 . 1 1 51 51 LEU HD22 H 1 0.822 0.000 . 1 . . . . 51 LEU QD2 . 15547 1 591 . 1 1 51 51 LEU HD23 H 1 0.822 0.000 . 1 . . . . 51 LEU QD2 . 15547 1 592 . 1 1 51 51 LEU HG H 1 1.547 0.000 . 1 . . . . 51 LEU HG . 15547 1 593 . 1 1 51 51 LEU C C 13 174.656 0.000 . 1 . . . . 51 LEU C . 15547 1 594 . 1 1 51 51 LEU CA C 13 53.379 0.000 . 1 . . . . 51 LEU CA . 15547 1 595 . 1 1 51 51 LEU CB C 13 42.121 0.000 . 1 . . . . 51 LEU CB . 15547 1 596 . 1 1 51 51 LEU CD1 C 13 27.209 0.000 . 1 . . . . 51 LEU CD1 . 15547 1 597 . 1 1 51 51 LEU CD2 C 13 23.946 0.000 . 1 . . . . 51 LEU CD2 . 15547 1 598 . 1 1 51 51 LEU CG C 13 27.241 0.000 . 1 . . . . 51 LEU CG . 15547 1 599 . 1 1 51 51 LEU N N 15 122.325 0.000 . 1 . . . . 51 LEU N . 15547 1 600 . 1 1 52 52 ASN H H 1 7.424 0.000 . 1 . . . . 52 ASN HN . 15547 1 601 . 1 1 52 52 ASN HA H 1 5.067 0.000 . 1 . . . . 52 ASN HA . 15547 1 602 . 1 1 52 52 ASN HB2 H 1 2.763 0.000 . 2 . . . . 52 ASN HB2 . 15547 1 603 . 1 1 52 52 ASN HB3 H 1 2.612 0.000 . 2 . . . . 52 ASN HB3 . 15547 1 604 . 1 1 52 52 ASN HD21 H 1 7.340 0.000 . 1 . . . . 52 ASN HD21 . 15547 1 605 . 1 1 52 52 ASN HD22 H 1 6.940 0.000 . 1 . . . . 52 ASN HD22 . 15547 1 606 . 1 1 52 52 ASN C C 13 173.094 0.000 . 1 . . . . 52 ASN C . 15547 1 607 . 1 1 52 52 ASN CA C 13 52.119 0.000 . 1 . . . . 52 ASN CA . 15547 1 608 . 1 1 52 52 ASN CB C 13 42.744 0.000 . 1 . . . . 52 ASN CB . 15547 1 609 . 1 1 52 52 ASN N N 15 115.275 0.000 . 1 . . . . 52 ASN N . 15547 1 610 . 1 1 52 52 ASN ND2 N 15 112.828 0.000 . 1 . . . . 52 ASN ND2 . 15547 1 611 . 1 1 53 53 ASP H H 1 8.495 0.000 . 1 . . . . 53 ASP HN . 15547 1 612 . 1 1 53 53 ASP HA H 1 4.376 0.000 . 1 . . . . 53 ASP HA . 15547 1 613 . 1 1 53 53 ASP HB2 H 1 2.788 0.000 . 2 . . . . 53 ASP HB2 . 15547 1 614 . 1 1 53 53 ASP HB3 H 1 2.594 0.000 . 2 . . . . 53 ASP HB3 . 15547 1 615 . 1 1 53 53 ASP C C 13 176.544 0.000 . 1 . . . . 53 ASP C . 15547 1 616 . 1 1 53 53 ASP CA C 13 55.869 0.000 . 1 . . . . 53 ASP CA . 15547 1 617 . 1 1 53 53 ASP CB C 13 41.807 0.000 . 1 . . . . 53 ASP CB . 15547 1 618 . 1 1 53 53 ASP N N 15 118.480 0.000 . 1 . . . . 53 ASP N . 15547 1 619 . 1 1 54 54 LYS H H 1 9.479 0.000 . 1 . . . . 54 LYS HN . 15547 1 620 . 1 1 54 54 LYS HA H 1 3.713 0.000 . 1 . . . . 54 LYS HA . 15547 1 621 . 1 1 54 54 LYS C C 13 175.495 0.000 . 1 . . . . 54 LYS C . 15547 1 622 . 1 1 54 54 LYS CA C 13 57.750 0.000 . 1 . . . . 54 LYS CA . 15547 1 623 . 1 1 54 54 LYS N N 15 119.414 0.000 . 1 . . . . 54 LYS N . 15547 1 624 . 1 1 55 55 MET H H 1 7.665 0.000 . 1 . . . . 55 MET HN . 15547 1 625 . 1 1 55 55 MET HA H 1 4.198 0.000 . 1 . . . . 55 MET HA . 15547 1 626 . 1 1 55 55 MET HB2 H 1 2.265 0.000 . 2 . . . . 55 MET HB2 . 15547 1 627 . 1 1 55 55 MET HB3 H 1 1.957 0.000 . 2 . . . . 55 MET HB3 . 15547 1 628 . 1 1 55 55 MET HG2 H 1 2.593 0.000 . 2 . . . . 55 MET HG2 . 15547 1 629 . 1 1 55 55 MET HG3 H 1 2.245 0.000 . 2 . . . . 55 MET HG3 . 15547 1 630 . 1 1 55 55 MET C C 13 173.746 0.000 . 1 . . . . 55 MET C . 15547 1 631 . 1 1 55 55 MET CA C 13 57.119 0.000 . 1 . . . . 55 MET CA . 15547 1 632 . 1 1 55 55 MET CB C 13 34.932 0.000 . 1 . . . . 55 MET CB . 15547 1 633 . 1 1 55 55 MET CG C 13 32.432 0.000 . 1 . . . . 55 MET CG . 15547 1 634 . 1 1 55 55 MET N N 15 119.804 0.000 . 1 . . . . 55 MET N . 15547 1 635 . 1 1 56 56 VAL H H 1 8.282 0.000 . 1 . . . . 56 VAL HN . 15547 1 636 . 1 1 56 56 VAL HA H 1 4.831 0.000 . 1 . . . . 56 VAL HA . 15547 1 637 . 1 1 56 56 VAL HB H 1 1.954 0.000 . 1 . . . . 56 VAL HB . 15547 1 638 . 1 1 56 56 VAL HG11 H 1 0.774 0.000 . 1 . . . . 56 VAL QG1 . 15547 1 639 . 1 1 56 56 VAL HG12 H 1 0.774 0.000 . 1 . . . . 56 VAL QG1 . 15547 1 640 . 1 1 56 56 VAL HG13 H 1 0.774 0.000 . 1 . . . . 56 VAL QG1 . 15547 1 641 . 1 1 56 56 VAL HG21 H 1 0.924 0.000 . 1 . . . . 56 VAL QG2 . 15547 1 642 . 1 1 56 56 VAL HG22 H 1 0.924 0.000 . 1 . . . . 56 VAL QG2 . 15547 1 643 . 1 1 56 56 VAL HG23 H 1 0.924 0.000 . 1 . . . . 56 VAL QG2 . 15547 1 644 . 1 1 56 56 VAL C C 13 176.264 0.000 . 1 . . . . 56 VAL C . 15547 1 645 . 1 1 56 56 VAL CA C 13 61.497 0.000 . 1 . . . . 56 VAL CA . 15547 1 646 . 1 1 56 56 VAL CB C 13 32.437 0.000 . 1 . . . . 56 VAL CB . 15547 1 647 . 1 1 56 56 VAL CG1 C 13 20.557 0.000 . 1 . . . . 56 VAL CG1 . 15547 1 648 . 1 1 56 56 VAL CG2 C 13 20.875 0.000 . 1 . . . . 56 VAL CG2 . 15547 1 649 . 1 1 56 56 VAL N N 15 122.814 0.000 . 1 . . . . 56 VAL N . 15547 1 650 . 1 1 57 57 ILE H H 1 9.651 0.000 . 1 . . . . 57 ILE HN . 15547 1 651 . 1 1 57 57 ILE HA H 1 4.644 0.000 . 1 . . . . 57 ILE HA . 15547 1 652 . 1 1 57 57 ILE HB H 1 1.734 0.000 . 1 . . . . 57 ILE HB . 15547 1 653 . 1 1 57 57 ILE HD11 H 1 0.725 0.000 . 1 . . . . 57 ILE QD1 . 15547 1 654 . 1 1 57 57 ILE HD12 H 1 0.725 0.000 . 1 . . . . 57 ILE QD1 . 15547 1 655 . 1 1 57 57 ILE HD13 H 1 0.725 0.000 . 1 . . . . 57 ILE QD1 . 15547 1 656 . 1 1 57 57 ILE HG12 H 1 1.414 0.000 . 2 . . . . 57 ILE QG1 . 15547 1 657 . 1 1 57 57 ILE HG13 H 1 1.414 0.000 . 2 . . . . 57 ILE QG1 . 15547 1 658 . 1 1 57 57 ILE HG21 H 1 0.864 0.000 . 1 . . . . 57 ILE QG2 . 15547 1 659 . 1 1 57 57 ILE HG22 H 1 0.864 0.000 . 1 . . . . 57 ILE QG2 . 15547 1 660 . 1 1 57 57 ILE HG23 H 1 0.864 0.000 . 1 . . . . 57 ILE QG2 . 15547 1 661 . 1 1 57 57 ILE C C 13 173.770 0.000 . 1 . . . . 57 ILE C . 15547 1 662 . 1 1 57 57 ILE CA C 13 59.307 0.000 . 1 . . . . 57 ILE CA . 15547 1 663 . 1 1 57 57 ILE CB C 13 41.494 0.000 . 1 . . . . 57 ILE CB . 15547 1 664 . 1 1 57 57 ILE CD1 C 13 14.625 0.000 . 1 . . . . 57 ILE CD1 . 15547 1 665 . 1 1 57 57 ILE CG1 C 13 28.369 0.000 . 1 . . . . 57 ILE CG1 . 15547 1 666 . 1 1 57 57 ILE CG2 C 13 19.000 0.000 . 1 . . . . 57 ILE CG2 . 15547 1 667 . 1 1 57 57 ILE N N 15 132.467 0.000 . 1 . . . . 57 ILE N . 15547 1 668 . 1 1 58 58 ASP H H 1 9.257 0.000 . 1 . . . . 58 ASP HN . 15547 1 669 . 1 1 58 58 ASP HA H 1 5.173 0.000 . 1 . . . . 58 ASP HA . 15547 1 670 . 1 1 58 58 ASP HB2 H 1 2.309 0.000 . 2 . . . . 58 ASP QB . 15547 1 671 . 1 1 58 58 ASP HB3 H 1 2.309 0.000 . 2 . . . . 58 ASP QB . 15547 1 672 . 1 1 58 58 ASP C C 13 173.886 0.000 . 1 . . . . 58 ASP C . 15547 1 673 . 1 1 58 58 ASP CA C 13 53.994 0.000 . 1 . . . . 58 ASP CA . 15547 1 674 . 1 1 58 58 ASP CB C 13 43.682 0.000 . 1 . . . . 58 ASP CB . 15547 1 675 . 1 1 58 58 ASP N N 15 127.121 0.000 . 1 . . . . 58 ASP N . 15547 1 676 . 1 1 59 59 ALA H H 1 8.424 0.000 . 1 . . . . 59 ALA HN . 15547 1 677 . 1 1 59 59 ALA HA H 1 5.335 0.000 . 1 . . . . 59 ALA HA . 15547 1 678 . 1 1 59 59 ALA HB1 H 1 0.888 0.000 . 1 . . . . 59 ALA QB . 15547 1 679 . 1 1 59 59 ALA HB2 H 1 0.888 0.000 . 1 . . . . 59 ALA QB . 15547 1 680 . 1 1 59 59 ALA HB3 H 1 0.888 0.000 . 1 . . . . 59 ALA QB . 15547 1 681 . 1 1 59 59 ALA C C 13 175.611 0.000 . 1 . . . . 59 ALA C . 15547 1 682 . 1 1 59 59 ALA CA C 13 49.935 0.000 . 1 . . . . 59 ALA CA . 15547 1 683 . 1 1 59 59 ALA CB C 13 20.875 0.000 . 1 . . . . 59 ALA CB . 15547 1 684 . 1 1 59 59 ALA N N 15 125.860 0.000 . 1 . . . . 59 ALA N . 15547 1 685 . 1 1 60 60 PHE H H 1 8.621 0.000 . 1 . . . . 60 PHE HN . 15547 1 686 . 1 1 60 60 PHE HA H 1 4.986 0.000 . 1 . . . . 60 PHE HA . 15547 1 687 . 1 1 60 60 PHE HB2 H 1 3.148 0.000 . 2 . . . . 60 PHE HB2 . 15547 1 688 . 1 1 60 60 PHE HB3 H 1 2.809 0.000 . 2 . . . . 60 PHE HB3 . 15547 1 689 . 1 1 60 60 PHE HD1 H 1 6.939 0.000 . 3 . . . . 60 PHE QD . 15547 1 690 . 1 1 60 60 PHE HD2 H 1 6.939 0.000 . 3 . . . . 60 PHE QD . 15547 1 691 . 1 1 60 60 PHE HE1 H 1 7.198 0.000 . 3 . . . . 60 PHE QE . 15547 1 692 . 1 1 60 60 PHE HE2 H 1 7.198 0.000 . 3 . . . . 60 PHE QE . 15547 1 693 . 1 1 60 60 PHE C C 13 174.469 0.000 . 1 . . . . 60 PHE C . 15547 1 694 . 1 1 60 60 PHE CA C 13 55.872 0.000 . 1 . . . . 60 PHE CA . 15547 1 695 . 1 1 60 60 PHE CB C 13 41.187 0.000 . 1 . . . . 60 PHE CB . 15547 1 696 . 1 1 60 60 PHE N N 15 119.918 0.000 . 1 . . . . 60 PHE N . 15547 1 697 . 1 1 61 61 VAL H H 1 8.648 0.000 . 1 . . . . 61 VAL HN . 15547 1 698 . 1 1 61 61 VAL HA H 1 4.458 0.000 . 1 . . . . 61 VAL HA . 15547 1 699 . 1 1 61 61 VAL HB H 1 2.033 0.000 . 1 . . . . 61 VAL HB . 15547 1 700 . 1 1 61 61 VAL HG11 H 1 0.920 0.000 . 1 . . . . 61 VAL QG1 . 15547 1 701 . 1 1 61 61 VAL HG12 H 1 0.920 0.000 . 1 . . . . 61 VAL QG1 . 15547 1 702 . 1 1 61 61 VAL HG13 H 1 0.920 0.000 . 1 . . . . 61 VAL QG1 . 15547 1 703 . 1 1 61 61 VAL HG21 H 1 0.876 0.000 . 1 . . . . 61 VAL QG2 . 15547 1 704 . 1 1 61 61 VAL HG22 H 1 0.876 0.000 . 1 . . . . 61 VAL QG2 . 15547 1 705 . 1 1 61 61 VAL HG23 H 1 0.876 0.000 . 1 . . . . 61 VAL QG2 . 15547 1 706 . 1 1 61 61 VAL CA C 13 59.622 0.000 . 1 . . . . 61 VAL CA . 15547 1 707 . 1 1 61 61 VAL CB C 13 32.437 0.000 . 1 . . . . 61 VAL CB . 15547 1 708 . 1 1 61 61 VAL CG1 C 13 20.875 0.000 . 1 . . . . 61 VAL CG1 . 15547 1 709 . 1 1 61 61 VAL CG2 C 13 20.875 0.000 . 1 . . . . 61 VAL CG2 . 15547 1 710 . 1 1 61 61 VAL N N 15 123.408 0.000 . 1 . . . . 61 VAL N . 15547 1 711 . 1 1 62 62 PRO HA H 1 4.395 0.000 . 1 . . . . 62 PRO HA . 15547 1 712 . 1 1 62 62 PRO HB2 H 1 2.281 0.000 . 2 . . . . 62 PRO HB2 . 15547 1 713 . 1 1 62 62 PRO HB3 H 1 1.923 0.000 . 2 . . . . 62 PRO HB3 . 15547 1 714 . 1 1 62 62 PRO HD2 H 1 3.809 0.000 . 2 . . . . 62 PRO HD2 . 15547 1 715 . 1 1 62 62 PRO HD3 H 1 3.660 0.000 . 2 . . . . 62 PRO HD3 . 15547 1 716 . 1 1 62 62 PRO HG2 H 1 1.960 0.000 . 2 . . . . 62 PRO HG2 . 15547 1 717 . 1 1 62 62 PRO HG3 H 1 1.870 0.000 . 2 . . . . 62 PRO HG3 . 15547 1 718 . 1 1 62 62 PRO C C 13 176.614 0.000 . 1 . . . . 62 PRO C . 15547 1 719 . 1 1 62 62 PRO CA C 13 63.057 0.000 . 1 . . . . 62 PRO CA . 15547 1 720 . 1 1 62 62 PRO CB C 13 32.119 0.000 . 1 . . . . 62 PRO CB . 15547 1 721 . 1 1 62 62 PRO CD C 13 50.869 0.000 . 1 . . . . 62 PRO CD . 15547 1 722 . 1 1 62 62 PRO CG C 13 27.432 0.000 . 1 . . . . 62 PRO CG . 15547 1 723 . 1 1 63 63 ALA H H 1 8.410 0.000 . 1 . . . . 63 ALA HN . 15547 1 724 . 1 1 63 63 ALA HA H 1 4.281 0.000 . 1 . . . . 63 ALA HA . 15547 1 725 . 1 1 63 63 ALA HB1 H 1 1.376 0.000 . 1 . . . . 63 ALA QB . 15547 1 726 . 1 1 63 63 ALA HB2 H 1 1.376 0.000 . 1 . . . . 63 ALA QB . 15547 1 727 . 1 1 63 63 ALA HB3 H 1 1.376 0.000 . 1 . . . . 63 ALA QB . 15547 1 728 . 1 1 63 63 ALA C C 13 177.527 0.000 . 1 . . . . 63 ALA C . 15547 1 729 . 1 1 63 63 ALA CA C 13 52.435 0.000 . 1 . . . . 63 ALA CA . 15547 1 730 . 1 1 63 63 ALA CB C 13 19.000 0.000 . 1 . . . . 63 ALA CB . 15547 1 731 . 1 1 63 63 ALA N N 15 124.350 0.000 . 1 . . . . 63 ALA N . 15547 1 732 . 1 1 64 64 ASP H H 1 8.264 0.000 . 1 . . . . 64 ASP HN . 15547 1 733 . 1 1 64 64 ASP HA H 1 4.571 0.000 . 1 . . . . 64 ASP HA . 15547 1 734 . 1 1 64 64 ASP HB2 H 1 2.681 0.000 . 2 . . . . 64 ASP QB . 15547 1 735 . 1 1 64 64 ASP HB3 H 1 2.681 0.000 . 2 . . . . 64 ASP QB . 15547 1 736 . 1 1 64 64 ASP C C 13 176.824 0.000 . 1 . . . . 64 ASP C . 15547 1 737 . 1 1 64 64 ASP CA C 13 53.994 0.000 . 1 . . . . 64 ASP CA . 15547 1 738 . 1 1 64 64 ASP CB C 13 41.182 0.000 . 1 . . . . 64 ASP CB . 15547 1 739 . 1 1 64 64 ASP N N 15 118.930 0.000 . 1 . . . . 64 ASP N . 15547 1 740 . 1 1 65 65 GLY H H 1 8.289 0.000 . 1 . . . . 65 GLY HN . 15547 1 741 . 1 1 65 65 GLY HA2 H 1 3.906 0.000 . 2 . . . . 65 GLY QA . 15547 1 742 . 1 1 65 65 GLY HA3 H 1 3.906 0.000 . 2 . . . . 65 GLY QA . 15547 1 743 . 1 1 65 65 GLY C C 13 174.096 0.000 . 1 . . . . 65 GLY C . 15547 1 744 . 1 1 65 65 GLY CA C 13 45.249 0.000 . 1 . . . . 65 GLY CA . 15547 1 745 . 1 1 65 65 GLY N N 15 109.281 0.000 . 1 . . . . 65 GLY N . 15547 1 746 . 1 1 66 66 ALA H H 1 8.147 0.000 . 1 . . . . 66 ALA HN . 15547 1 747 . 1 1 66 66 ALA HA H 1 4.306 0.000 . 1 . . . . 66 ALA HA . 15547 1 748 . 1 1 66 66 ALA HB1 H 1 1.384 0.000 . 1 . . . . 66 ALA QB . 15547 1 749 . 1 1 66 66 ALA HB2 H 1 1.384 0.000 . 1 . . . . 66 ALA QB . 15547 1 750 . 1 1 66 66 ALA HB3 H 1 1.384 0.000 . 1 . . . . 66 ALA QB . 15547 1 751 . 1 1 66 66 ALA CA C 13 52.435 0.000 . 1 . . . . 66 ALA CA . 15547 1 752 . 1 1 66 66 ALA CB C 13 19.000 0.000 . 1 . . . . 66 ALA CB . 15547 1 753 . 1 1 66 66 ALA N N 15 123.586 0.000 . 1 . . . . 66 ALA N . 15547 1 754 . 1 1 67 67 GLY H H 1 8.414 0.000 . 1 . . . . 67 GLY HN . 15547 1 755 . 1 1 67 67 GLY HA2 H 1 3.921 0.000 . 2 . . . . 67 GLY QA . 15547 1 756 . 1 1 67 67 GLY HA3 H 1 3.921 0.000 . 2 . . . . 67 GLY QA . 15547 1 757 . 1 1 67 67 GLY C C 13 174.306 0.000 . 1 . . . . 67 GLY C . 15547 1 758 . 1 1 67 67 GLY CA C 13 45.561 0.000 . 1 . . . . 67 GLY CA . 15547 1 759 . 1 1 67 67 GLY N N 15 108.025 0.000 . 1 . . . . 67 GLY N . 15547 1 760 . 1 1 68 68 LEU H H 1 7.994 0.000 . 1 . . . . 68 LEU HN . 15547 1 761 . 1 1 68 68 LEU HA H 1 4.265 0.000 . 1 . . . . 68 LEU HA . 15547 1 762 . 1 1 68 68 LEU HB2 H 1 1.556 0.000 . 2 . . . . 68 LEU HB2 . 15547 1 763 . 1 1 68 68 LEU HB3 H 1 1.513 0.000 . 2 . . . . 68 LEU HB3 . 15547 1 764 . 1 1 68 68 LEU HD11 H 1 0.858 0.000 . 1 . . . . 68 LEU QD1 . 15547 1 765 . 1 1 68 68 LEU HD12 H 1 0.858 0.000 . 1 . . . . 68 LEU QD1 . 15547 1 766 . 1 1 68 68 LEU HD13 H 1 0.858 0.000 . 1 . . . . 68 LEU QD1 . 15547 1 767 . 1 1 68 68 LEU HD21 H 1 0.798 0.000 . 1 . . . . 68 LEU QD2 . 15547 1 768 . 1 1 68 68 LEU HD22 H 1 0.798 0.000 . 1 . . . . 68 LEU QD2 . 15547 1 769 . 1 1 68 68 LEU HD23 H 1 0.798 0.000 . 1 . . . . 68 LEU QD2 . 15547 1 770 . 1 1 68 68 LEU HG H 1 1.531 0.000 . 1 . . . . 68 LEU HG . 15547 1 771 . 1 1 68 68 LEU C C 13 177.430 0.000 . 1 . . . . 68 LEU C . 15547 1 772 . 1 1 68 68 LEU CA C 13 54.935 0.000 . 1 . . . . 68 LEU CA . 15547 1 773 . 1 1 68 68 LEU CB C 13 42.124 0.000 . 1 . . . . 68 LEU CB . 15547 1 774 . 1 1 68 68 LEU CD1 C 13 24.937 0.000 . 1 . . . . 68 LEU CD1 . 15547 1 775 . 1 1 68 68 LEU CD2 C 13 23.063 0.000 . 1 . . . . 68 LEU CD2 . 15547 1 776 . 1 1 68 68 LEU CG C 13 26.812 0.000 . 1 . . . . 68 LEU CG . 15547 1 777 . 1 1 68 68 LEU N N 15 121.101 0.000 . 1 . . . . 68 LEU N . 15547 1 778 . 1 1 69 69 GLU H H 1 8.447 0.000 . 1 . . . . 69 GLU HN . 15547 1 779 . 1 1 69 69 GLU HA H 1 4.156 0.000 . 1 . . . . 69 GLU HA . 15547 1 780 . 1 1 69 69 GLU HB2 H 1 1.858 0.000 . 2 . . . . 69 GLU QB . 15547 1 781 . 1 1 69 69 GLU HB3 H 1 1.858 0.000 . 2 . . . . 69 GLU QB . 15547 1 782 . 1 1 69 69 GLU HG2 H 1 2.183 0.000 . 2 . . . . 69 GLU HG2 . 15547 1 783 . 1 1 69 69 GLU HG3 H 1 2.103 0.000 . 2 . . . . 69 GLU HG3 . 15547 1 784 . 1 1 69 69 GLU CA C 13 56.807 0.000 . 1 . . . . 69 GLU CA . 15547 1 785 . 1 1 69 69 GLU CB C 13 29.619 0.000 . 1 . . . . 69 GLU CB . 15547 1 786 . 1 1 69 69 GLU CG C 13 35.869 0.000 . 1 . . . . 69 GLU CG . 15547 1 787 . 1 1 69 69 GLU N N 15 120.768 0.000 . 1 . . . . 69 GLU N . 15547 1 stop_ save_