data_17235 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17235 _Entry.Title ; Solution structure of a putative acyl carrier protein from Anaplasma phagocytophilum. Seattle Structural Genomics Center for Infectious Disease (SSGCID) target AnphA.01018.a ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-10-02 _Entry.Accession_date 2010-10-02 _Entry.Last_release_date 2010-10-20 _Entry.Original_release_date 2010-10-20 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Garry Buchko . W. . 17235 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'Seattle Structural Genomics Center for Infectious Disease' . 17235 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'acyl carrier protein' . 17235 'Human granulocytic anaplasmosis' . 17235 'infectious disease' . 17235 SSGCID . 17235 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17235 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 370 17235 '15N chemical shifts' 94 17235 '1H chemical shifts' 583 17235 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 . . 2010-10-20 2010-10-02 original author . 17235 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L4B 'BMRB Entry Tracking System' 17235 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17235 _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 'Solution structure of a putative acyl carrier protein from Anaplasma phagocytophilum, the bacterium responsible for human granulocytic ehrlichiosis.' _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 Garry Buchko . W. . 17235 1 2 Stephan Hewitt . N. . 17235 1 3 Alberto Napuli . J. . 17235 1 4 Wesley 'Van Voorhis' . C . 17235 1 5 Peter Myler . J. . 17235 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17235 _Assembly.ID 1 _Assembly.Name ACP18 _Assembly.BMRB_code . _Assembly.Number_of_components . _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 ACP18 1 $ACP18 A . yes native no no . . . 17235 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ACP18 _Entity.Sf_category entity _Entity.Sf_framecode ACP18 _Entity.Entry_ID 17235 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ACP18 _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 ; PGSMVSEEIKAQVMESVIGC LKLNDEQKQILSGTTNLAKD FNLDSLDFVDLIMSLEERFS LEISDEDAQKLETVDDICRY IASKSSDA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'The first three residues are left over from the tag (PGS) therefore the first native residue is M4.' _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 88 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 2L4B . "Solution Structure Of A Putative Acyl Carrier Protein From Anaplasma Phagocytophilum. Seattle Structural Genomics Center For In" . . . . . 100.00 88 100.00 100.00 5.83e-54 . . . . 17235 1 2 no GB ABD44176 . "putative acyl carrier protein [Anaplasma phagocytophilum str. HZ]" . . . . . 95.45 84 98.81 100.00 1.48e-49 . . . . 17235 1 3 no GB AGR78947 . "acyl carrier protein [Anaplasma phagocytophilum str. HZ2]" . . . . . 98.86 104 97.70 97.70 1.06e-50 . . . . 17235 1 4 no GB AGR80194 . "acyl carrier protein [Anaplasma phagocytophilum str. JM]" . . . . . 98.86 104 97.70 97.70 1.06e-50 . . . . 17235 1 5 no GB AGR81449 . "acyl carrier protein [Anaplasma phagocytophilum str. Dog2]" . . . . . 98.86 104 97.70 97.70 1.06e-50 . . . . 17235 1 6 no GB EOA61179 . "acyl carrier protein [Anaplasma phagocytophilum str. HGE1]" . . . . . 98.86 104 97.70 97.70 1.06e-50 . . . . 17235 1 7 no REF WP_044104281 . "acyl carrier protein [Anaplasma phagocytophilum]" . . . . . 85.23 75 100.00 100.00 8.27e-44 . . . . 17235 1 8 no REF WP_044105205 . "acyl carrier protein [Anaplasma phagocytophilum]" . . . . . 85.23 75 98.67 100.00 1.36e-43 . . . . 17235 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 . PRO . 17235 1 2 . GLY . 17235 1 3 . SER . 17235 1 4 . MET . 17235 1 5 . VAL . 17235 1 6 . SER . 17235 1 7 . GLU . 17235 1 8 . GLU . 17235 1 9 . ILE . 17235 1 10 . LYS . 17235 1 11 . ALA . 17235 1 12 . GLN . 17235 1 13 . VAL . 17235 1 14 . MET . 17235 1 15 . GLU . 17235 1 16 . SER . 17235 1 17 . VAL . 17235 1 18 . ILE . 17235 1 19 . GLY . 17235 1 20 . CYS . 17235 1 21 . LEU . 17235 1 22 . LYS . 17235 1 23 . LEU . 17235 1 24 . ASN . 17235 1 25 . ASP . 17235 1 26 . GLU . 17235 1 27 . GLN . 17235 1 28 . LYS . 17235 1 29 . GLN . 17235 1 30 . ILE . 17235 1 31 . LEU . 17235 1 32 . SER . 17235 1 33 . GLY . 17235 1 34 . THR . 17235 1 35 . THR . 17235 1 36 . ASN . 17235 1 37 . LEU . 17235 1 38 . ALA . 17235 1 39 . LYS . 17235 1 40 . ASP . 17235 1 41 . PHE . 17235 1 42 . ASN . 17235 1 43 . LEU . 17235 1 44 . ASP . 17235 1 45 . SER . 17235 1 46 . LEU . 17235 1 47 . ASP . 17235 1 48 . PHE . 17235 1 49 . VAL . 17235 1 50 . ASP . 17235 1 51 . LEU . 17235 1 52 . ILE . 17235 1 53 . MET . 17235 1 54 . SER . 17235 1 55 . LEU . 17235 1 56 . GLU . 17235 1 57 . GLU . 17235 1 58 . ARG . 17235 1 59 . PHE . 17235 1 60 . SER . 17235 1 61 . LEU . 17235 1 62 . GLU . 17235 1 63 . ILE . 17235 1 64 . SER . 17235 1 65 . ASP . 17235 1 66 . GLU . 17235 1 67 . ASP . 17235 1 68 . ALA . 17235 1 69 . GLN . 17235 1 70 . LYS . 17235 1 71 . LEU . 17235 1 72 . GLU . 17235 1 73 . THR . 17235 1 74 . VAL . 17235 1 75 . ASP . 17235 1 76 . ASP . 17235 1 77 . ILE . 17235 1 78 . CYS . 17235 1 79 . ARG . 17235 1 80 . TYR . 17235 1 81 . ILE . 17235 1 82 . ALA . 17235 1 83 . SER . 17235 1 84 . LYS . 17235 1 85 . SER . 17235 1 86 . SER . 17235 1 87 . ASP . 17235 1 88 . ALA . 17235 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 . PRO 1 1 17235 1 . GLY 2 2 17235 1 . SER 3 3 17235 1 . MET 4 4 17235 1 . VAL 5 5 17235 1 . SER 6 6 17235 1 . GLU 7 7 17235 1 . GLU 8 8 17235 1 . ILE 9 9 17235 1 . LYS 10 10 17235 1 . ALA 11 11 17235 1 . GLN 12 12 17235 1 . VAL 13 13 17235 1 . MET 14 14 17235 1 . GLU 15 15 17235 1 . SER 16 16 17235 1 . VAL 17 17 17235 1 . ILE 18 18 17235 1 . GLY 19 19 17235 1 . CYS 20 20 17235 1 . LEU 21 21 17235 1 . LYS 22 22 17235 1 . LEU 23 23 17235 1 . ASN 24 24 17235 1 . ASP 25 25 17235 1 . GLU 26 26 17235 1 . GLN 27 27 17235 1 . LYS 28 28 17235 1 . GLN 29 29 17235 1 . ILE 30 30 17235 1 . LEU 31 31 17235 1 . SER 32 32 17235 1 . GLY 33 33 17235 1 . THR 34 34 17235 1 . THR 35 35 17235 1 . ASN 36 36 17235 1 . LEU 37 37 17235 1 . ALA 38 38 17235 1 . LYS 39 39 17235 1 . ASP 40 40 17235 1 . PHE 41 41 17235 1 . ASN 42 42 17235 1 . LEU 43 43 17235 1 . ASP 44 44 17235 1 . SER 45 45 17235 1 . LEU 46 46 17235 1 . ASP 47 47 17235 1 . PHE 48 48 17235 1 . VAL 49 49 17235 1 . ASP 50 50 17235 1 . LEU 51 51 17235 1 . ILE 52 52 17235 1 . MET 53 53 17235 1 . SER 54 54 17235 1 . LEU 55 55 17235 1 . GLU 56 56 17235 1 . GLU 57 57 17235 1 . ARG 58 58 17235 1 . PHE 59 59 17235 1 . SER 60 60 17235 1 . LEU 61 61 17235 1 . GLU 62 62 17235 1 . ILE 63 63 17235 1 . SER 64 64 17235 1 . ASP 65 65 17235 1 . GLU 66 66 17235 1 . ASP 67 67 17235 1 . ALA 68 68 17235 1 . GLN 69 69 17235 1 . LYS 70 70 17235 1 . LEU 71 71 17235 1 . GLU 72 72 17235 1 . THR 73 73 17235 1 . VAL 74 74 17235 1 . ASP 75 75 17235 1 . ASP 76 76 17235 1 . ILE 77 77 17235 1 . CYS 78 78 17235 1 . ARG 79 79 17235 1 . TYR 80 80 17235 1 . ILE 81 81 17235 1 . ALA 82 82 17235 1 . SER 83 83 17235 1 . LYS 84 84 17235 1 . SER 85 85 17235 1 . SER 86 86 17235 1 . ASP 87 87 17235 1 . ALA 88 88 17235 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 17235 _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 $ACP18 . 948 organism . 'Anaplasma phagocytophilum' 'Anaplasma phagocytophilum' . . Eubacteria . Anaplasma phagocytophilum . . . . . . . . . . . . . . . . . . . . . 17235 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 17235 _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 $ACP18 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 . . . . . . . . . . . . . . . AVA0421 . . . . . . 17235 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17235 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 ACP18 '[U-100% 13C; U-100% 15N]' . . 1 $ACP18 . . . 1 2 mM . . . . 17235 1 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 3 . . . 17235 1 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 17235 1 4 H2O 'natural abundance' . . . . . . 93 . . % . . . . 17235 1 5 D2O 'natural abundance' . . . . . . 7 . . % . . . . 17235 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17235 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ACP18 '[U-98% 15N]' . . 1 $ACP18 . . . 1 2 mM . . . . 17235 2 2 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 3 . . . 17235 2 3 TRIS 'natural abundance' . . . . . . 20 . . mM 1 . . . 17235 2 4 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17235 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17235 _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' 0.12 0.01 M 17235 1 pH 7 0.1 pH 17235 1 pressure 1 . atm 17235 1 temperature 293 . K 17235 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17235 _Software.ID 1 _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' . . 17235 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17235 1 stop_ save_ save_Felix _Software.Sf_category software _Software.Sf_framecode Felix _Software.Entry_ID 17235 _Software.ID 2 _Software.Name FELIX _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Accelrys Software Inc.' . . 17235 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17235 2 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 17235 _Software.ID 3 _Software.Name SPARKY _Software.Version 3.115 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 17235 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17235 3 'peak picking' 17235 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 17235 _Software.ID 4 _Software.Name PSVS _Software.Version 1.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 17235 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17235 4 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 17235 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 17235 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 17235 _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 . . . 17235 1 2 spectrometer_2 Varian INOVA . 750 . . . 17235 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 17235 _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 . . . . . . . . . . . . . . . . 17235 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17235 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17235 1 4 '3D HN(COCA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17235 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17235 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17235 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17235 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17235 1 9 'deuterium exchange' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17235 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 17235 _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 . . . . . . . . . 17235 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17235 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17235 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 17235 _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 6 '3D HNCO' . . . 17235 1 7 '3D 1H-15N NOESY' . . . 17235 1 8 '3D 1H-13C NOESY' . . . 17235 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $Felix . . 17235 1 3 $SPARKY . . 17235 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 PRO HA H 1 4.49 0.02 . 1 . . . . 1 PRO HA . 17235 1 2 . 1 1 1 1 PRO HB2 H 1 2.33 0.02 . 2 . . . . 1 PRO HB2 . 17235 1 3 . 1 1 1 1 PRO HB3 H 1 2.33 0.02 . 2 . . . . 1 PRO HB3 . 17235 1 4 . 1 1 1 1 PRO HD2 H 1 3.63 0.02 . 2 . . . . 1 PRO HD2 . 17235 1 5 . 1 1 1 1 PRO HD3 H 1 3.60 0.02 . 2 . . . . 1 PRO HD3 . 17235 1 6 . 1 1 1 1 PRO HG2 H 1 2.06 0.02 . 2 . . . . 1 PRO HG2 . 17235 1 7 . 1 1 1 1 PRO HG3 H 1 2.06 0.02 . 2 . . . . 1 PRO HG3 . 17235 1 8 . 1 1 1 1 PRO C C 13 177.4 0.2 . 1 . . . . 1 PRO C . 17235 1 9 . 1 1 1 1 PRO CA C 13 63.5 0.2 . 1 . . . . 1 PRO CA . 17235 1 10 . 1 1 1 1 PRO CB C 13 32.2 0.2 . 1 . . . . 1 PRO CB . 17235 1 11 . 1 1 1 1 PRO CD C 13 49.6 0.2 . 1 . . . . 1 PRO CD . 17235 1 12 . 1 1 1 1 PRO CG C 13 27.1 0.2 . 1 . . . . 1 PRO CG . 17235 1 13 . 1 1 2 2 GLY H H 1 8.70 0.02 . 1 . . . . 2 GLY H . 17235 1 14 . 1 1 2 2 GLY HA2 H 1 3.99 0.02 . 2 . . . . 2 GLY HA2 . 17235 1 15 . 1 1 2 2 GLY HA3 H 1 3.99 0.02 . 2 . . . . 2 GLY HA3 . 17235 1 16 . 1 1 2 2 GLY C C 13 174.2 0.2 . 1 . . . . 2 GLY C . 17235 1 17 . 1 1 2 2 GLY CA C 13 45.2 0.2 . 1 . . . . 2 GLY CA . 17235 1 18 . 1 1 2 2 GLY N N 15 109.9 0.2 . 1 . . . . 2 GLY N . 17235 1 19 . 1 1 3 3 SER H H 1 8.18 0.02 . 1 . . . . 3 SER H . 17235 1 20 . 1 1 3 3 SER HA H 1 4.02 0.02 . 1 . . . . 3 SER HA . 17235 1 21 . 1 1 3 3 SER HB2 H 1 3.89 0.02 . 2 . . . . 3 SER HB2 . 17235 1 22 . 1 1 3 3 SER HB3 H 1 3.89 0.02 . 2 . . . . 3 SER HB3 . 17235 1 23 . 1 1 3 3 SER C C 13 174.4 0.2 . 1 . . . . 3 SER C . 17235 1 24 . 1 1 3 3 SER CA C 13 58.6 0.2 . 1 . . . . 3 SER CA . 17235 1 25 . 1 1 3 3 SER CB C 13 63.8 0.2 . 1 . . . . 3 SER CB . 17235 1 26 . 1 1 3 3 SER N N 15 115.7 0.2 . 1 . . . . 3 SER N . 17235 1 27 . 1 1 4 4 MET H H 1 8.47 0.02 . 1 . . . . 4 MET H . 17235 1 28 . 1 1 4 4 MET HA H 1 4.50 0.02 . 1 . . . . 4 MET HA . 17235 1 29 . 1 1 4 4 MET HB2 H 1 2.08 0.02 . 2 . . . . 4 MET HB2 . 17235 1 30 . 1 1 4 4 MET HB3 H 1 2.03 0.02 . 2 . . . . 4 MET HB3 . 17235 1 31 . 1 1 4 4 MET HE1 H 1 2.11 0.02 . 1 . . . . 4 MET ME . 17235 1 32 . 1 1 4 4 MET HE2 H 1 2.11 0.02 . 1 . . . . 4 MET ME . 17235 1 33 . 1 1 4 4 MET HE3 H 1 2.11 0.02 . 1 . . . . 4 MET ME . 17235 1 34 . 1 1 4 4 MET C C 13 176.1 0.2 . 1 . . . . 4 MET C . 17235 1 35 . 1 1 4 4 MET CA C 13 55.6 0.2 . 1 . . . . 4 MET CA . 17235 1 36 . 1 1 4 4 MET CB C 13 33.2 0.2 . 1 . . . . 4 MET CB . 17235 1 37 . 1 1 4 4 MET CE C 13 17.0 0.2 . 1 . . . . 4 MET CE . 17235 1 38 . 1 1 4 4 MET CG C 13 32.0 0.2 . 1 . . . . 4 MET CG . 17235 1 39 . 1 1 4 4 MET N N 15 122.2 0.2 . 1 . . . . 4 MET N . 17235 1 40 . 1 1 5 5 VAL H H 1 8.29 0.02 . 1 . . . . 5 VAL H . 17235 1 41 . 1 1 5 5 VAL HA H 1 4.02 0.02 . 1 . . . . 5 VAL HA . 17235 1 42 . 1 1 5 5 VAL HB H 1 2.08 0.02 . 1 . . . . 5 VAL HB . 17235 1 43 . 1 1 5 5 VAL HG11 H 1 0.97 0.02 . 2 . . . . 5 VAL MG1 . 17235 1 44 . 1 1 5 5 VAL HG12 H 1 0.97 0.02 . 2 . . . . 5 VAL MG1 . 17235 1 45 . 1 1 5 5 VAL HG13 H 1 0.97 0.02 . 2 . . . . 5 VAL MG1 . 17235 1 46 . 1 1 5 5 VAL HG21 H 1 0.97 0.02 . 2 . . . . 5 VAL MG2 . 17235 1 47 . 1 1 5 5 VAL HG22 H 1 0.97 0.02 . 2 . . . . 5 VAL MG2 . 17235 1 48 . 1 1 5 5 VAL HG23 H 1 0.97 0.02 . 2 . . . . 5 VAL MG2 . 17235 1 49 . 1 1 5 5 VAL C C 13 176.2 0.2 . 1 . . . . 5 VAL C . 17235 1 50 . 1 1 5 5 VAL CA C 13 62.4 0.2 . 1 . . . . 5 VAL CA . 17235 1 51 . 1 1 5 5 VAL CB C 13 32.6 0.2 . 1 . . . . 5 VAL CB . 17235 1 52 . 1 1 5 5 VAL CG1 C 13 21.8 0.2 . 2 . . . . 5 VAL CG1 . 17235 1 53 . 1 1 5 5 VAL CG2 C 13 21.8 0.2 . 2 . . . . 5 VAL CG2 . 17235 1 54 . 1 1 5 5 VAL N N 15 121.1 0.2 . 1 . . . . 5 VAL N . 17235 1 55 . 1 1 6 6 SER H H 1 8.32 0.02 . 1 . . . . 6 SER H . 17235 1 56 . 1 1 6 6 SER HA H 1 4.36 0.02 . 1 . . . . 6 SER HA . 17235 1 57 . 1 1 6 6 SER HB2 H 1 4.20 0.02 . 2 . . . . 6 SER HB2 . 17235 1 58 . 1 1 6 6 SER HB3 H 1 3.95 0.02 . 2 . . . . 6 SER HB3 . 17235 1 59 . 1 1 6 6 SER C C 13 175.7 0.2 . 1 . . . . 6 SER C . 17235 1 60 . 1 1 6 6 SER CA C 13 58.8 0.2 . 1 . . . . 6 SER CA . 17235 1 61 . 1 1 6 6 SER CB C 13 63.7 0.2 . 1 . . . . 6 SER CB . 17235 1 62 . 1 1 6 6 SER N N 15 120.7 0.2 . 1 . . . . 6 SER N . 17235 1 63 . 1 1 7 7 GLU H H 1 9.03 0.02 . 1 . . . . 7 GLU H . 17235 1 64 . 1 1 7 7 GLU HA H 1 4.07 0.02 . 1 . . . . 7 GLU HA . 17235 1 65 . 1 1 7 7 GLU HB2 H 1 2.13 0.02 . 2 . . . . 7 GLU HB2 . 17235 1 66 . 1 1 7 7 GLU HB3 H 1 2.06 0.02 . 2 . . . . 7 GLU HB3 . 17235 1 67 . 1 1 7 7 GLU C C 13 178.8 0.2 . 1 . . . . 7 GLU C . 17235 1 68 . 1 1 7 7 GLU CA C 13 59.2 0.2 . 1 . . . . 7 GLU CA . 17235 1 69 . 1 1 7 7 GLU CB C 13 29.2 0.2 . 1 . . . . 7 GLU CB . 17235 1 70 . 1 1 7 7 GLU CG C 13 36.3 0.2 . 1 . . . . 7 GLU CG . 17235 1 71 . 1 1 7 7 GLU N N 15 123.6 0.2 . 1 . . . . 7 GLU N . 17235 1 72 . 1 1 8 8 GLU H H 1 8.34 0.02 . 1 . . . . 8 GLU H . 17235 1 73 . 1 1 8 8 GLU HA H 1 4.22 0.02 . 1 . . . . 8 GLU HA . 17235 1 74 . 1 1 8 8 GLU HG2 H 1 2.34 0.02 . 2 . . . . 8 GLU HG2 . 17235 1 75 . 1 1 8 8 GLU HG3 H 1 2.34 0.02 . 2 . . . . 8 GLU HG3 . 17235 1 76 . 1 1 8 8 GLU CA C 13 59.5 0.2 . 1 . . . . 8 GLU CA . 17235 1 77 . 1 1 8 8 GLU CB C 13 29.2 0.2 . 1 . . . . 8 GLU CB . 17235 1 78 . 1 1 8 8 GLU CG C 13 36.6 0.2 . 1 . . . . 8 GLU CG . 17235 1 79 . 1 1 8 8 GLU N N 15 120.3 0.2 . 1 . . . . 8 GLU N . 17235 1 80 . 1 1 9 9 ILE H H 1 7.79 0.02 . 1 . . . . 9 ILE H . 17235 1 81 . 1 1 9 9 ILE HA H 1 3.89 0.02 . 1 . . . . 9 ILE HA . 17235 1 82 . 1 1 9 9 ILE HB H 1 1.91 0.02 . 1 . . . . 9 ILE HB . 17235 1 83 . 1 1 9 9 ILE HD11 H 1 0.87 0.02 . 1 . . . . 9 ILE MD . 17235 1 84 . 1 1 9 9 ILE HD12 H 1 0.87 0.02 . 1 . . . . 9 ILE MD . 17235 1 85 . 1 1 9 9 ILE HD13 H 1 0.87 0.02 . 1 . . . . 9 ILE MD . 17235 1 86 . 1 1 9 9 ILE HG12 H 1 1.73 0.02 . 2 . . . . 9 ILE HG12 . 17235 1 87 . 1 1 9 9 ILE HG13 H 1 1.15 0.02 . 2 . . . . 9 ILE HG13 . 17235 1 88 . 1 1 9 9 ILE HG21 H 1 0.83 0.02 . 1 . . . . 9 ILE MG . 17235 1 89 . 1 1 9 9 ILE HG22 H 1 0.83 0.02 . 1 . . . . 9 ILE MG . 17235 1 90 . 1 1 9 9 ILE HG23 H 1 0.83 0.02 . 1 . . . . 9 ILE MG . 17235 1 91 . 1 1 9 9 ILE C C 13 177.6 0.2 . 1 . . . . 9 ILE C . 17235 1 92 . 1 1 9 9 ILE CA C 13 65.1 0.2 . 1 . . . . 9 ILE CA . 17235 1 93 . 1 1 9 9 ILE CB C 13 37.9 0.2 . 1 . . . . 9 ILE CB . 17235 1 94 . 1 1 9 9 ILE CD1 C 13 12.7 0.2 . 1 . . . . 9 ILE CD1 . 17235 1 95 . 1 1 9 9 ILE CG1 C 13 29.2 0.2 . 1 . . . . 9 ILE CG1 . 17235 1 96 . 1 1 9 9 ILE CG2 C 13 17.5 0.2 . 1 . . . . 9 ILE CG2 . 17235 1 97 . 1 1 9 9 ILE N N 15 120.2 0.2 . 1 . . . . 9 ILE N . 17235 1 98 . 1 1 10 10 LYS H H 1 8.04 0.02 . 1 . . . . 10 LYS H . 17235 1 99 . 1 1 10 10 LYS HA H 1 4.02 0.02 . 1 . . . . 10 LYS HA . 17235 1 100 . 1 1 10 10 LYS HB2 H 1 1.89 0.02 . 2 . . . . 10 LYS HB2 . 17235 1 101 . 1 1 10 10 LYS HB3 H 1 1.89 0.02 . 2 . . . . 10 LYS HB3 . 17235 1 102 . 1 1 10 10 LYS HD2 H 1 1.46 0.02 . 2 . . . . 10 LYS HD2 . 17235 1 103 . 1 1 10 10 LYS HD3 H 1 1.29 0.02 . 2 . . . . 10 LYS HD3 . 17235 1 104 . 1 1 10 10 LYS C C 13 177.8 0.2 . 1 . . . . 10 LYS C . 17235 1 105 . 1 1 10 10 LYS CA C 13 60.6 0.2 . 1 . . . . 10 LYS CA . 17235 1 106 . 1 1 10 10 LYS CB C 13 32.0 0.2 . 1 . . . . 10 LYS CB . 17235 1 107 . 1 1 10 10 LYS CD C 13 29.5 0.2 . 1 . . . . 10 LYS CD . 17235 1 108 . 1 1 10 10 LYS CE C 13 41.8 0.2 . 1 . . . . 10 LYS CE . 17235 1 109 . 1 1 10 10 LYS CG C 13 24.9 0.2 . 1 . . . . 10 LYS CG . 17235 1 110 . 1 1 10 10 LYS N N 15 119.4 0.2 . 1 . . . . 10 LYS N . 17235 1 111 . 1 1 11 11 ALA H H 1 8.12 0.02 . 1 . . . . 11 ALA H . 17235 1 112 . 1 1 11 11 ALA HA H 1 4.11 0.02 . 1 . . . . 11 ALA HA . 17235 1 113 . 1 1 11 11 ALA HB1 H 1 1.56 0.02 . 1 . . . . 11 ALA MB . 17235 1 114 . 1 1 11 11 ALA HB2 H 1 1.56 0.02 . 1 . . . . 11 ALA MB . 17235 1 115 . 1 1 11 11 ALA HB3 H 1 1.56 0.02 . 1 . . . . 11 ALA MB . 17235 1 116 . 1 1 11 11 ALA C C 13 180.9 0.2 . 1 . . . . 11 ALA C . 17235 1 117 . 1 1 11 11 ALA CA C 13 55.4 0.2 . 1 . . . . 11 ALA CA . 17235 1 118 . 1 1 11 11 ALA CB C 13 18.0 0.2 . 1 . . . . 11 ALA CB . 17235 1 119 . 1 1 11 11 ALA N N 15 119.8 0.2 . 1 . . . . 11 ALA N . 17235 1 120 . 1 1 12 12 GLN H H 1 7.83 0.02 . 1 . . . . 12 GLN H . 17235 1 121 . 1 1 12 12 GLN HA H 1 4.16 0.02 . 1 . . . . 12 GLN HA . 17235 1 122 . 1 1 12 12 GLN HB2 H 1 2.54 0.02 . 2 . . . . 12 GLN HB2 . 17235 1 123 . 1 1 12 12 GLN HB3 H 1 2.12 0.02 . 2 . . . . 12 GLN HB3 . 17235 1 124 . 1 1 12 12 GLN HE21 H 1 7.29 0.02 . 2 . . . . 12 GLN HE21 . 17235 1 125 . 1 1 12 12 GLN HE22 H 1 6.80 0.02 . 2 . . . . 12 GLN HE22 . 17235 1 126 . 1 1 12 12 GLN HG2 H 1 2.72 0.02 . 2 . . . . 12 GLN HG2 . 17235 1 127 . 1 1 12 12 GLN HG3 H 1 2.36 0.02 . 2 . . . . 12 GLN HG3 . 17235 1 128 . 1 1 12 12 GLN C C 13 179.2 0.2 . 1 . . . . 12 GLN C . 17235 1 129 . 1 1 12 12 GLN CA C 13 59.1 0.2 . 1 . . . . 12 GLN CA . 17235 1 130 . 1 1 12 12 GLN CB C 13 29.9 0.2 . 1 . . . . 12 GLN CB . 17235 1 131 . 1 1 12 12 GLN CG C 13 34.8 0.2 . 1 . . . . 12 GLN CG . 17235 1 132 . 1 1 12 12 GLN N N 15 117.6 0.2 . 1 . . . . 12 GLN N . 17235 1 133 . 1 1 12 12 GLN NE2 N 15 110.6 0.2 . 1 . . . . 12 GLN NE2 . 17235 1 134 . 1 1 13 13 VAL H H 1 9.03 0.02 . 1 . . . . 13 VAL H . 17235 1 135 . 1 1 13 13 VAL HA H 1 3.62 0.02 . 1 . . . . 13 VAL HA . 17235 1 136 . 1 1 13 13 VAL HB H 1 2.23 0.02 . 1 . . . . 13 VAL HB . 17235 1 137 . 1 1 13 13 VAL HG11 H 1 1.04 0.02 . 2 . . . . 13 VAL MG1 . 17235 1 138 . 1 1 13 13 VAL HG12 H 1 1.04 0.02 . 2 . . . . 13 VAL MG1 . 17235 1 139 . 1 1 13 13 VAL HG13 H 1 1.04 0.02 . 2 . . . . 13 VAL MG1 . 17235 1 140 . 1 1 13 13 VAL HG21 H 1 0.97 0.02 . 2 . . . . 13 VAL MG2 . 17235 1 141 . 1 1 13 13 VAL HG22 H 1 0.97 0.02 . 2 . . . . 13 VAL MG2 . 17235 1 142 . 1 1 13 13 VAL HG23 H 1 0.97 0.02 . 2 . . . . 13 VAL MG2 . 17235 1 143 . 1 1 13 13 VAL C C 13 178.0 0.2 . 1 . . . . 13 VAL C . 17235 1 144 . 1 1 13 13 VAL CA C 13 67.6 0.2 . 1 . . . . 13 VAL CA . 17235 1 145 . 1 1 13 13 VAL CB C 13 31.4 0.2 . 1 . . . . 13 VAL CB . 17235 1 146 . 1 1 13 13 VAL CG1 C 13 24.9 0.2 . 2 . . . . 13 VAL CG1 . 17235 1 147 . 1 1 13 13 VAL CG2 C 13 22.5 0.2 . 2 . . . . 13 VAL CG2 . 17235 1 148 . 1 1 13 13 VAL N N 15 121.7 0.2 . 1 . . . . 13 VAL N . 17235 1 149 . 1 1 14 14 MET H H 1 8.82 0.02 . 1 . . . . 14 MET H . 17235 1 150 . 1 1 14 14 MET HA H 1 3.97 0.02 . 1 . . . . 14 MET HA . 17235 1 151 . 1 1 14 14 MET HB2 H 1 2.36 0.02 . 2 . . . . 14 MET HB2 . 17235 1 152 . 1 1 14 14 MET HB3 H 1 2.01 0.02 . 2 . . . . 14 MET HB3 . 17235 1 153 . 1 1 14 14 MET HE1 H 1 1.97 0.02 . 1 . . . . 14 MET ME . 17235 1 154 . 1 1 14 14 MET HE2 H 1 1.97 0.02 . 1 . . . . 14 MET ME . 17235 1 155 . 1 1 14 14 MET HE3 H 1 1.97 0.02 . 1 . . . . 14 MET ME . 17235 1 156 . 1 1 14 14 MET HG2 H 1 2.76 0.02 . 2 . . . . 14 MET HG2 . 17235 1 157 . 1 1 14 14 MET HG3 H 1 2.54 0.02 . 2 . . . . 14 MET HG3 . 17235 1 158 . 1 1 14 14 MET C C 13 177.5 0.2 . 1 . . . . 14 MET C . 17235 1 159 . 1 1 14 14 MET CA C 13 59.3 0.2 . 1 . . . . 14 MET CA . 17235 1 160 . 1 1 14 14 MET CB C 13 31.7 0.2 . 1 . . . . 14 MET CB . 17235 1 161 . 1 1 14 14 MET CE C 13 16.9 0.2 . 1 . . . . 14 MET CE . 17235 1 162 . 1 1 14 14 MET CG C 13 33.4 0.2 . 1 . . . . 14 MET CG . 17235 1 163 . 1 1 14 14 MET N N 15 118.0 0.2 . 1 . . . . 14 MET N . 17235 1 164 . 1 1 15 15 GLU H H 1 7.84 0.02 . 1 . . . . 15 GLU H . 17235 1 165 . 1 1 15 15 GLU HA H 1 3.99 0.02 . 1 . . . . 15 GLU HA . 17235 1 166 . 1 1 15 15 GLU HB2 H 1 2.19 0.02 . 2 . . . . 15 GLU HB2 . 17235 1 167 . 1 1 15 15 GLU HB3 H 1 2.19 0.02 . 2 . . . . 15 GLU HB3 . 17235 1 168 . 1 1 15 15 GLU HG2 H 1 2.43 0.02 . 2 . . . . 15 GLU HG2 . 17235 1 169 . 1 1 15 15 GLU HG3 H 1 2.23 0.02 . 2 . . . . 15 GLU HG3 . 17235 1 170 . 1 1 15 15 GLU C C 13 180.0 0.2 . 1 . . . . 15 GLU C . 17235 1 171 . 1 1 15 15 GLU CA C 13 59.9 0.2 . 1 . . . . 15 GLU CA . 17235 1 172 . 1 1 15 15 GLU CB C 13 29.8 0.2 . 1 . . . . 15 GLU CB . 17235 1 173 . 1 1 15 15 GLU CG C 13 36.4 0.2 . 1 . . . . 15 GLU CG . 17235 1 174 . 1 1 15 15 GLU N N 15 117.3 0.2 . 1 . . . . 15 GLU N . 17235 1 175 . 1 1 16 16 SER H H 1 8.05 0.02 . 1 . . . . 16 SER H . 17235 1 176 . 1 1 16 16 SER HA H 1 4.36 0.02 . 1 . . . . 16 SER HA . 17235 1 177 . 1 1 16 16 SER HB2 H 1 4.09 0.02 . 2 . . . . 16 SER HB2 . 17235 1 178 . 1 1 16 16 SER HB3 H 1 3.88 0.02 . 2 . . . . 16 SER HB3 . 17235 1 179 . 1 1 16 16 SER C C 13 176.0 0.2 . 1 . . . . 16 SER C . 17235 1 180 . 1 1 16 16 SER CA C 13 63.2 0.2 . 1 . . . . 16 SER CA . 17235 1 181 . 1 1 16 16 SER CB C 13 63.5 0.2 . 1 . . . . 16 SER CB . 17235 1 182 . 1 1 16 16 SER N N 15 117.0 0.2 . 1 . . . . 16 SER N . 17235 1 183 . 1 1 17 17 VAL H H 1 8.70 0.02 . 1 . . . . 17 VAL H . 17235 1 184 . 1 1 17 17 VAL HA H 1 3.47 0.02 . 1 . . . . 17 VAL HA . 17235 1 185 . 1 1 17 17 VAL HB H 1 2.32 0.02 . 1 . . . . 17 VAL HB . 17235 1 186 . 1 1 17 17 VAL HG11 H 1 1.05 0.02 . 2 . . . . 17 VAL MG1 . 17235 1 187 . 1 1 17 17 VAL HG12 H 1 1.05 0.02 . 2 . . . . 17 VAL MG1 . 17235 1 188 . 1 1 17 17 VAL HG13 H 1 1.05 0.02 . 2 . . . . 17 VAL MG1 . 17235 1 189 . 1 1 17 17 VAL HG21 H 1 1.05 0.02 . 2 . . . . 17 VAL MG2 . 17235 1 190 . 1 1 17 17 VAL HG22 H 1 1.05 0.02 . 2 . . . . 17 VAL MG2 . 17235 1 191 . 1 1 17 17 VAL HG23 H 1 1.05 0.02 . 2 . . . . 17 VAL MG2 . 17235 1 192 . 1 1 17 17 VAL C C 13 176.8 0.2 . 1 . . . . 17 VAL C . 17235 1 193 . 1 1 17 17 VAL CA C 13 67.3 0.2 . 1 . . . . 17 VAL CA . 17235 1 194 . 1 1 17 17 VAL CB C 13 31.7 0.2 . 1 . . . . 17 VAL CB . 17235 1 195 . 1 1 17 17 VAL CG1 C 13 23.4 0.2 . 2 . . . . 17 VAL CG1 . 17235 1 196 . 1 1 17 17 VAL CG2 C 13 23.4 0.2 . 2 . . . . 17 VAL CG2 . 17235 1 197 . 1 1 17 17 VAL N N 15 122.7 0.2 . 1 . . . . 17 VAL N . 17235 1 198 . 1 1 18 18 ILE H H 1 8.41 0.02 . 1 . . . . 18 ILE H . 17235 1 199 . 1 1 18 18 ILE HA H 1 3.34 0.02 . 1 . . . . 18 ILE HA . 17235 1 200 . 1 1 18 18 ILE HB H 1 1.82 0.02 . 1 . . . . 18 ILE HB . 17235 1 201 . 1 1 18 18 ILE HD11 H 1 0.87 0.02 . 1 . . . . 18 ILE MD . 17235 1 202 . 1 1 18 18 ILE HD12 H 1 0.87 0.02 . 1 . . . . 18 ILE MD . 17235 1 203 . 1 1 18 18 ILE HD13 H 1 0.87 0.02 . 1 . . . . 18 ILE MD . 17235 1 204 . 1 1 18 18 ILE HG12 H 1 1.79 0.02 . 2 . . . . 18 ILE HG12 . 17235 1 205 . 1 1 18 18 ILE HG13 H 1 0.82 0.02 . 2 . . . . 18 ILE HG13 . 17235 1 206 . 1 1 18 18 ILE HG21 H 1 0.90 0.02 . 1 . . . . 18 ILE MG . 17235 1 207 . 1 1 18 18 ILE HG22 H 1 0.90 0.02 . 1 . . . . 18 ILE MG . 17235 1 208 . 1 1 18 18 ILE HG23 H 1 0.90 0.02 . 1 . . . . 18 ILE MG . 17235 1 209 . 1 1 18 18 ILE C C 13 178.5 0.2 . 1 . . . . 18 ILE C . 17235 1 210 . 1 1 18 18 ILE CA C 13 65.9 0.2 . 1 . . . . 18 ILE CA . 17235 1 211 . 1 1 18 18 ILE CB C 13 38.5 0.2 . 1 . . . . 18 ILE CB . 17235 1 212 . 1 1 18 18 ILE CD1 C 13 13.6 0.2 . 1 . . . . 18 ILE CD1 . 17235 1 213 . 1 1 18 18 ILE CG1 C 13 31.2 0.2 . 1 . . . . 18 ILE CG1 . 17235 1 214 . 1 1 18 18 ILE CG2 C 13 18.0 0.2 . 1 . . . . 18 ILE CG2 . 17235 1 215 . 1 1 18 18 ILE N N 15 118.0 0.2 . 1 . . . . 18 ILE N . 17235 1 216 . 1 1 19 19 GLY H H 1 8.07 0.02 . 1 . . . . 19 GLY H . 17235 1 217 . 1 1 19 19 GLY HA2 H 1 4.01 0.02 . 2 . . . . 19 GLY HA2 . 17235 1 218 . 1 1 19 19 GLY HA3 H 1 3.95 0.02 . 2 . . . . 19 GLY HA3 . 17235 1 219 . 1 1 19 19 GLY C C 13 176.3 0.2 . 1 . . . . 19 GLY C . 17235 1 220 . 1 1 19 19 GLY CA C 13 46.7 0.2 . 1 . . . . 19 GLY CA . 17235 1 221 . 1 1 19 19 GLY N N 15 104.3 0.2 . 1 . . . . 19 GLY N . 17235 1 222 . 1 1 20 20 CYS H H 1 8.56 0.02 . 1 . . . . 20 CYS H . 17235 1 223 . 1 1 20 20 CYS HA H 1 4.34 0.02 . 1 . . . . 20 CYS HA . 17235 1 224 . 1 1 20 20 CYS HB2 H 1 2.92 0.02 . 2 . . . . 20 CYS HB2 . 17235 1 225 . 1 1 20 20 CYS HB3 H 1 2.86 0.02 . 2 . . . . 20 CYS HB3 . 17235 1 226 . 1 1 20 20 CYS C C 13 176.1 0.2 . 1 . . . . 20 CYS C . 17235 1 227 . 1 1 20 20 CYS CA C 13 62.3 0.2 . 1 . . . . 20 CYS CA . 17235 1 228 . 1 1 20 20 CYS CB C 13 27.8 0.2 . 1 . . . . 20 CYS CB . 17235 1 229 . 1 1 20 20 CYS N N 15 119.3 0.2 . 1 . . . . 20 CYS N . 17235 1 230 . 1 1 21 21 LEU H H 1 7.85 0.02 . 1 . . . . 21 LEU H . 17235 1 231 . 1 1 21 21 LEU HA H 1 4.33 0.02 . 1 . . . . 21 LEU HA . 17235 1 232 . 1 1 21 21 LEU HB2 H 1 1.69 0.02 . 2 . . . . 21 LEU HB2 . 17235 1 233 . 1 1 21 21 LEU HB3 H 1 1.50 0.02 . 2 . . . . 21 LEU HB3 . 17235 1 234 . 1 1 21 21 LEU HD11 H 1 0.75 0.02 . 2 . . . . 21 LEU MD1 . 17235 1 235 . 1 1 21 21 LEU HD12 H 1 0.75 0.02 . 2 . . . . 21 LEU MD1 . 17235 1 236 . 1 1 21 21 LEU HD13 H 1 0.75 0.02 . 2 . . . . 21 LEU MD1 . 17235 1 237 . 1 1 21 21 LEU HD21 H 1 0.75 0.02 . 2 . . . . 21 LEU MD2 . 17235 1 238 . 1 1 21 21 LEU HD22 H 1 0.75 0.02 . 2 . . . . 21 LEU MD2 . 17235 1 239 . 1 1 21 21 LEU HD23 H 1 0.75 0.02 . 2 . . . . 21 LEU MD2 . 17235 1 240 . 1 1 21 21 LEU HG H 1 1.50 0.02 . 1 . . . . 21 LEU HG . 17235 1 241 . 1 1 21 21 LEU C C 13 175.5 0.2 . 1 . . . . 21 LEU C . 17235 1 242 . 1 1 21 21 LEU CA C 13 54.8 0.2 . 1 . . . . 21 LEU CA . 17235 1 243 . 1 1 21 21 LEU CB C 13 40.1 0.2 . 1 . . . . 21 LEU CB . 17235 1 244 . 1 1 21 21 LEU CD1 C 13 23.0 0.2 . 2 . . . . 21 LEU CD1 . 17235 1 245 . 1 1 21 21 LEU CD2 C 13 23.0 0.2 . 2 . . . . 21 LEU CD2 . 17235 1 246 . 1 1 21 21 LEU CG C 13 26.4 0.2 . 1 . . . . 21 LEU CG . 17235 1 247 . 1 1 21 21 LEU N N 15 114.9 0.2 . 1 . . . . 21 LEU N . 17235 1 248 . 1 1 22 22 LYS H H 1 7.64 0.02 . 1 . . . . 22 LYS H . 17235 1 249 . 1 1 22 22 LYS HA H 1 3.95 0.02 . 1 . . . . 22 LYS HA . 17235 1 250 . 1 1 22 22 LYS HE2 H 1 3.02 0.02 . 2 . . . . 22 LYS HE2 . 17235 1 251 . 1 1 22 22 LYS HE3 H 1 3.02 0.02 . 2 . . . . 22 LYS HE3 . 17235 1 252 . 1 1 22 22 LYS HG2 H 1 1.39 0.02 . 2 . . . . 22 LYS HG2 . 17235 1 253 . 1 1 22 22 LYS HG3 H 1 1.33 0.02 . 2 . . . . 22 LYS HG3 . 17235 1 254 . 1 1 22 22 LYS C C 13 176.2 0.2 . 1 . . . . 22 LYS C . 17235 1 255 . 1 1 22 22 LYS CA C 13 56.3 0.2 . 1 . . . . 22 LYS CA . 17235 1 256 . 1 1 22 22 LYS CB C 13 29.1 . . 1 . . . . 22 LYS CB . 17235 1 257 . 1 1 22 22 LYS CE C 13 42.3 0.2 . 1 . . . . 22 LYS CE . 17235 1 258 . 1 1 22 22 LYS CG C 13 24.6 0.2 . 1 . . . . 22 LYS CG . 17235 1 259 . 1 1 22 22 LYS N N 15 116.3 0.2 . 1 . . . . 22 LYS N . 17235 1 260 . 1 1 23 23 LEU H H 1 7.32 0.02 . 1 . . . . 23 LEU H . 17235 1 261 . 1 1 23 23 LEU HA H 1 4.20 0.02 . 1 . . . . 23 LEU HA . 17235 1 262 . 1 1 23 23 LEU HB2 H 1 1.50 0.02 . 2 . . . . 23 LEU HB2 . 17235 1 263 . 1 1 23 23 LEU HB3 H 1 1.28 0.02 . 2 . . . . 23 LEU HB3 . 17235 1 264 . 1 1 23 23 LEU HD11 H 1 0.12 0.02 . 2 . . . . 23 LEU MD1 . 17235 1 265 . 1 1 23 23 LEU HD12 H 1 0.12 0.02 . 2 . . . . 23 LEU MD1 . 17235 1 266 . 1 1 23 23 LEU HD13 H 1 0.12 0.02 . 2 . . . . 23 LEU MD1 . 17235 1 267 . 1 1 23 23 LEU HD21 H 1 0.12 0.02 . 2 . . . . 23 LEU MD2 . 17235 1 268 . 1 1 23 23 LEU HD22 H 1 0.12 0.02 . 2 . . . . 23 LEU MD2 . 17235 1 269 . 1 1 23 23 LEU HD23 H 1 0.12 0.02 . 2 . . . . 23 LEU MD2 . 17235 1 270 . 1 1 23 23 LEU HG H 1 0.53 0.02 . 1 . . . . 23 LEU HG . 17235 1 271 . 1 1 23 23 LEU C C 13 177.5 0.2 . 1 . . . . 23 LEU C . 17235 1 272 . 1 1 23 23 LEU CA C 13 54.7 0.2 . 1 . . . . 23 LEU CA . 17235 1 273 . 1 1 23 23 LEU CB C 13 41.9 0.2 . 1 . . . . 23 LEU CB . 17235 1 274 . 1 1 23 23 LEU CD1 C 13 21.6 0.2 . 2 . . . . 23 LEU CD1 . 17235 1 275 . 1 1 23 23 LEU CD2 C 13 21.6 0.2 . 2 . . . . 23 LEU CD2 . 17235 1 276 . 1 1 23 23 LEU CG C 13 26.9 0.2 . 1 . . . . 23 LEU CG . 17235 1 277 . 1 1 23 23 LEU N N 15 116.2 0.2 . 1 . . . . 23 LEU N . 17235 1 278 . 1 1 24 24 ASN H H 1 8.75 0.02 . 1 . . . . 24 ASN H . 17235 1 279 . 1 1 24 24 ASN HA H 1 4.75 0.02 . 1 . . . . 24 ASN HA . 17235 1 280 . 1 1 24 24 ASN HB2 H 1 3.40 0.02 . 2 . . . . 24 ASN HB2 . 17235 1 281 . 1 1 24 24 ASN HB3 H 1 2.91 0.02 . 2 . . . . 24 ASN HB3 . 17235 1 282 . 1 1 24 24 ASN HD21 H 1 7.44 0.02 . 2 . . . . 24 ASN HD21 . 17235 1 283 . 1 1 24 24 ASN HD22 H 1 7.09 0.02 . 2 . . . . 24 ASN HD22 . 17235 1 284 . 1 1 24 24 ASN C C 13 175.5 0.2 . 1 . . . . 24 ASN C . 17235 1 285 . 1 1 24 24 ASN CA C 13 51.3 0.2 . 1 . . . . 24 ASN CA . 17235 1 286 . 1 1 24 24 ASN CB C 13 38.5 0.2 . 1 . . . . 24 ASN CB . 17235 1 287 . 1 1 24 24 ASN N N 15 120.2 0.2 . 1 . . . . 24 ASN N . 17235 1 288 . 1 1 24 24 ASN ND2 N 15 111.0 0.2 . 1 . . . . 24 ASN ND2 . 17235 1 289 . 1 1 25 25 ASP H H 1 8.45 0.02 . 1 . . . . 25 ASP H . 17235 1 290 . 1 1 25 25 ASP HA H 1 4.27 0.02 . 1 . . . . 25 ASP HA . 17235 1 291 . 1 1 25 25 ASP HB2 H 1 2.64 0.02 . 2 . . . . 25 ASP HB2 . 17235 1 292 . 1 1 25 25 ASP HB3 H 1 2.64 0.02 . 2 . . . . 25 ASP HB3 . 17235 1 293 . 1 1 25 25 ASP C C 13 178.3 0.2 . 1 . . . . 25 ASP C . 17235 1 294 . 1 1 25 25 ASP CA C 13 58.5 0.2 . 1 . . . . 25 ASP CA . 17235 1 295 . 1 1 25 25 ASP CB C 13 40.4 0.2 . 1 . . . . 25 ASP CB . 17235 1 296 . 1 1 25 25 ASP N N 15 116.8 0.2 . 1 . . . . 25 ASP N . 17235 1 297 . 1 1 26 26 GLU H H 1 8.18 0.02 . 1 . . . . 26 GLU H . 17235 1 298 . 1 1 26 26 GLU HA H 1 4.05 0.02 . 1 . . . . 26 GLU HA . 17235 1 299 . 1 1 26 26 GLU HB2 H 1 2.13 0.02 . 2 . . . . 26 GLU HB2 . 17235 1 300 . 1 1 26 26 GLU HB3 H 1 2.06 0.02 . 2 . . . . 26 GLU HB3 . 17235 1 301 . 1 1 26 26 GLU HG2 H 1 2.29 0.02 . 2 . . . . 26 GLU HG2 . 17235 1 302 . 1 1 26 26 GLU HG3 H 1 2.29 0.02 . 2 . . . . 26 GLU HG3 . 17235 1 303 . 1 1 26 26 GLU C C 13 179.4 0.2 . 1 . . . . 26 GLU C . 17235 1 304 . 1 1 26 26 GLU CA C 13 59.8 0.2 . 1 . . . . 26 GLU CA . 17235 1 305 . 1 1 26 26 GLU CB C 13 29.0 0.2 . 1 . . . . 26 GLU CB . 17235 1 306 . 1 1 26 26 GLU CG C 13 36.8 0.2 . 1 . . . . 26 GLU CG . 17235 1 307 . 1 1 26 26 GLU N N 15 120.5 0.2 . 1 . . . . 26 GLU N . 17235 1 308 . 1 1 27 27 GLN H H 1 8.49 0.02 . 1 . . . . 27 GLN H . 17235 1 309 . 1 1 27 27 GLN HA H 1 4.06 0.02 . 1 . . . . 27 GLN HA . 17235 1 310 . 1 1 27 27 GLN HB2 H 1 2.16 0.02 . 2 . . . . 27 GLN HB2 . 17235 1 311 . 1 1 27 27 GLN HB3 H 1 1.50 0.02 . 2 . . . . 27 GLN HB3 . 17235 1 312 . 1 1 27 27 GLN HE21 H 1 7.59 0.02 . 2 . . . . 27 GLN HE21 . 17235 1 313 . 1 1 27 27 GLN HE22 H 1 6.91 0.02 . 2 . . . . 27 GLN HE22 . 17235 1 314 . 1 1 27 27 GLN HG2 H 1 2.72 0.02 . 2 . . . . 27 GLN HG2 . 17235 1 315 . 1 1 27 27 GLN HG3 H 1 2.28 0.02 . 2 . . . . 27 GLN HG3 . 17235 1 316 . 1 1 27 27 GLN C C 13 178.3 0.2 . 1 . . . . 27 GLN C . 17235 1 317 . 1 1 27 27 GLN CA C 13 58.3 0.2 . 1 . . . . 27 GLN CA . 17235 1 318 . 1 1 27 27 GLN CB C 13 29.7 0.2 . 1 . . . . 27 GLN CB . 17235 1 319 . 1 1 27 27 GLN CG C 13 34.3 0.2 . 1 . . . . 27 GLN CG . 17235 1 320 . 1 1 27 27 GLN N N 15 119.7 0.2 . 1 . . . . 27 GLN N . 17235 1 321 . 1 1 27 27 GLN NE2 N 15 111.3 0.2 . 1 . . . . 27 GLN NE2 . 17235 1 322 . 1 1 28 28 LYS H H 1 8.57 0.02 . 1 . . . . 28 LYS H . 17235 1 323 . 1 1 28 28 LYS HA H 1 3.76 0.02 . 1 . . . . 28 LYS HA . 17235 1 324 . 1 1 28 28 LYS HB2 H 1 1.87 0.02 . 2 . . . . 28 LYS HB2 . 17235 1 325 . 1 1 28 28 LYS HB3 H 1 1.87 0.02 . 2 . . . . 28 LYS HB3 . 17235 1 326 . 1 1 28 28 LYS HG2 H 1 1.57 0.02 . 2 . . . . 28 LYS HG2 . 17235 1 327 . 1 1 28 28 LYS HG3 H 1 1.28 0.02 . 2 . . . . 28 LYS HG3 . 17235 1 328 . 1 1 28 28 LYS C C 13 178.2 0.2 . 1 . . . . 28 LYS C . 17235 1 329 . 1 1 28 28 LYS CA C 13 60.0 0.2 . 1 . . . . 28 LYS CA . 17235 1 330 . 1 1 28 28 LYS CB C 13 32.6 0.2 . 1 . . . . 28 LYS CB . 17235 1 331 . 1 1 28 28 LYS CD C 13 29.7 0.2 . 1 . . . . 28 LYS CD . 17235 1 332 . 1 1 28 28 LYS CE C 13 41.9 0.2 . 1 . . . . 28 LYS CE . 17235 1 333 . 1 1 28 28 LYS CG C 13 26.1 0.2 . 1 . . . . 28 LYS CG . 17235 1 334 . 1 1 28 28 LYS N N 15 116.8 0.2 . 1 . . . . 28 LYS N . 17235 1 335 . 1 1 29 29 GLN H H 1 7.47 0.02 . 1 . . . . 29 GLN H . 17235 1 336 . 1 1 29 29 GLN HA H 1 4.15 0.02 . 1 . . . . 29 GLN HA . 17235 1 337 . 1 1 29 29 GLN HB2 H 1 2.23 0.02 . 2 . . . . 29 GLN HB2 . 17235 1 338 . 1 1 29 29 GLN HB3 H 1 2.22 0.02 . 2 . . . . 29 GLN HB3 . 17235 1 339 . 1 1 29 29 GLN HE21 H 1 7.47 0.02 . 2 . . . . 29 GLN HE21 . 17235 1 340 . 1 1 29 29 GLN HE22 H 1 6.87 0.02 . 2 . . . . 29 GLN HE22 . 17235 1 341 . 1 1 29 29 GLN HG2 H 1 2.58 0.02 . 2 . . . . 29 GLN HG2 . 17235 1 342 . 1 1 29 29 GLN HG3 H 1 2.51 0.02 . 2 . . . . 29 GLN HG3 . 17235 1 343 . 1 1 29 29 GLN C C 13 177.4 0.2 . 1 . . . . 29 GLN C . 17235 1 344 . 1 1 29 29 GLN CA C 13 57.9 0.2 . 1 . . . . 29 GLN CA . 17235 1 345 . 1 1 29 29 GLN CB C 13 28.9 0.2 . 1 . . . . 29 GLN CB . 17235 1 346 . 1 1 29 29 GLN CG C 13 34.0 0.2 . 1 . . . . 29 GLN CG . 17235 1 347 . 1 1 29 29 GLN N N 15 115.1 0.2 . 1 . . . . 29 GLN N . 17235 1 348 . 1 1 29 29 GLN NE2 N 15 112.0 0.2 . 1 . . . . 29 GLN NE2 . 17235 1 349 . 1 1 30 30 ILE H H 1 7.25 0.02 . 1 . . . . 30 ILE H . 17235 1 350 . 1 1 30 30 ILE HA H 1 4.32 0.02 . 1 . . . . 30 ILE HA . 17235 1 351 . 1 1 30 30 ILE HB H 1 2.16 0.02 . 1 . . . . 30 ILE HB . 17235 1 352 . 1 1 30 30 ILE HD11 H 1 0.93 0.02 . 1 . . . . 30 ILE MD . 17235 1 353 . 1 1 30 30 ILE HD12 H 1 0.93 0.02 . 1 . . . . 30 ILE MD . 17235 1 354 . 1 1 30 30 ILE HD13 H 1 0.93 0.02 . 1 . . . . 30 ILE MD . 17235 1 355 . 1 1 30 30 ILE HG12 H 1 1.59 0.02 . 2 . . . . 30 ILE HG12 . 17235 1 356 . 1 1 30 30 ILE HG13 H 1 1.47 0.02 . 2 . . . . 30 ILE HG13 . 17235 1 357 . 1 1 30 30 ILE HG21 H 1 1.00 0.02 . 1 . . . . 30 ILE MG . 17235 1 358 . 1 1 30 30 ILE HG22 H 1 1.00 0.02 . 1 . . . . 30 ILE MG . 17235 1 359 . 1 1 30 30 ILE HG23 H 1 1.00 0.02 . 1 . . . . 30 ILE MG . 17235 1 360 . 1 1 30 30 ILE C C 13 176.1 0.2 . 1 . . . . 30 ILE C . 17235 1 361 . 1 1 30 30 ILE CA C 13 61.2 0.2 . 1 . . . . 30 ILE CA . 17235 1 362 . 1 1 30 30 ILE CB C 13 39.1 0.2 . 1 . . . . 30 ILE CB . 17235 1 363 . 1 1 30 30 ILE CD1 C 13 14.1 0.2 . 1 . . . . 30 ILE CD1 . 17235 1 364 . 1 1 30 30 ILE CG1 C 13 27.6 0.2 . 1 . . . . 30 ILE CG1 . 17235 1 365 . 1 1 30 30 ILE CG2 C 13 18.1 0.2 . 1 . . . . 30 ILE CG2 . 17235 1 366 . 1 1 30 30 ILE N N 15 113.0 0.2 . 1 . . . . 30 ILE N . 17235 1 367 . 1 1 31 31 LEU H H 1 7.28 0.02 . 1 . . . . 31 LEU H . 17235 1 368 . 1 1 31 31 LEU HA H 1 4.34 0.02 . 1 . . . . 31 LEU HA . 17235 1 369 . 1 1 31 31 LEU HB2 H 1 2.00 0.02 . 2 . . . . 31 LEU HB2 . 17235 1 370 . 1 1 31 31 LEU HB3 H 1 1.57 0.02 . 2 . . . . 31 LEU HB3 . 17235 1 371 . 1 1 31 31 LEU HD11 H 1 1.08 0.02 . 2 . . . . 31 LEU MD1 . 17235 1 372 . 1 1 31 31 LEU HD12 H 1 1.08 0.02 . 2 . . . . 31 LEU MD1 . 17235 1 373 . 1 1 31 31 LEU HD13 H 1 1.08 0.02 . 2 . . . . 31 LEU MD1 . 17235 1 374 . 1 1 31 31 LEU HD21 H 1 1.08 0.02 . 2 . . . . 31 LEU MD2 . 17235 1 375 . 1 1 31 31 LEU HD22 H 1 1.08 0.02 . 2 . . . . 31 LEU MD2 . 17235 1 376 . 1 1 31 31 LEU HD23 H 1 1.08 0.02 . 2 . . . . 31 LEU MD2 . 17235 1 377 . 1 1 31 31 LEU HG H 1 1.55 0.02 . 1 . . . . 31 LEU HG . 17235 1 378 . 1 1 31 31 LEU C C 13 174.9 0.2 . 1 . . . . 31 LEU C . 17235 1 379 . 1 1 31 31 LEU CA C 13 56.1 0.2 . 1 . . . . 31 LEU CA . 17235 1 380 . 1 1 31 31 LEU CB C 13 42.3 0.2 . 1 . . . . 31 LEU CB . 17235 1 381 . 1 1 31 31 LEU CD1 C 13 24.1 0.2 . 2 . . . . 31 LEU CD1 . 17235 1 382 . 1 1 31 31 LEU CD2 C 13 24.2 0.2 . 2 . . . . 31 LEU CD2 . 17235 1 383 . 1 1 31 31 LEU CG C 13 26.8 0.2 . 1 . . . . 31 LEU CG . 17235 1 384 . 1 1 31 31 LEU N N 15 123.3 0.2 . 1 . . . . 31 LEU N . 17235 1 385 . 1 1 32 32 SER H H 1 9.38 0.02 . 1 . . . . 32 SER H . 17235 1 386 . 1 1 32 32 SER HA H 1 4.84 0.02 . 1 . . . . 32 SER HA . 17235 1 387 . 1 1 32 32 SER HB2 H 1 4.13 0.02 . 2 . . . . 32 SER HB2 . 17235 1 388 . 1 1 32 32 SER HB3 H 1 3.85 0.02 . 2 . . . . 32 SER HB3 . 17235 1 389 . 1 1 32 32 SER CA C 13 56.8 0.2 . 1 . . . . 32 SER CA . 17235 1 390 . 1 1 32 32 SER CB C 13 66.2 0.2 . 1 . . . . 32 SER CB . 17235 1 391 . 1 1 32 32 SER N N 15 123.8 0.2 . 1 . . . . 32 SER N . 17235 1 392 . 1 1 33 33 GLY H H 1 9.02 0.02 . 1 . . . . 33 GLY H . 17235 1 393 . 1 1 33 33 GLY HA2 H 1 4.17 0.02 . 2 . . . . 33 GLY HA2 . 17235 1 394 . 1 1 33 33 GLY HA3 H 1 3.67 0.02 . 2 . . . . 33 GLY HA3 . 17235 1 395 . 1 1 33 33 GLY C C 13 174.0 0.2 . 1 . . . . 33 GLY C . 17235 1 396 . 1 1 33 33 GLY CA C 13 46.8 0.2 . 1 . . . . 33 GLY CA . 17235 1 397 . 1 1 33 33 GLY N N 15 107.5 0.2 . 1 . . . . 33 GLY N . 17235 1 398 . 1 1 34 34 THR H H 1 7.70 0.02 . 1 . . . . 34 THR H . 17235 1 399 . 1 1 34 34 THR HA H 1 4.42 0.02 . 1 . . . . 34 THR HA . 17235 1 400 . 1 1 34 34 THR HB H 1 4.52 0.02 . 1 . . . . 34 THR HB . 17235 1 401 . 1 1 34 34 THR HG21 H 1 1.23 0.02 . 1 . . . . 34 THR MG . 17235 1 402 . 1 1 34 34 THR HG22 H 1 1.23 0.02 . 1 . . . . 34 THR MG . 17235 1 403 . 1 1 34 34 THR HG23 H 1 1.23 0.02 . 1 . . . . 34 THR MG . 17235 1 404 . 1 1 34 34 THR C C 13 175.1 0.2 . 1 . . . . 34 THR C . 17235 1 405 . 1 1 34 34 THR CA C 13 61.1 0.2 . 1 . . . . 34 THR CA . 17235 1 406 . 1 1 34 34 THR CB C 13 69.0 0.2 . 1 . . . . 34 THR CB . 17235 1 407 . 1 1 34 34 THR CG2 C 13 21.8 0.2 . 1 . . . . 34 THR CG2 . 17235 1 408 . 1 1 34 34 THR N N 15 103.7 0.2 . 1 . . . . 34 THR N . 17235 1 409 . 1 1 35 35 THR H H 1 7.55 0.02 . 1 . . . . 35 THR H . 17235 1 410 . 1 1 35 35 THR HA H 1 3.78 0.02 . 1 . . . . 35 THR HA . 17235 1 411 . 1 1 35 35 THR HB H 1 4.05 0.02 . 1 . . . . 35 THR HB . 17235 1 412 . 1 1 35 35 THR HG21 H 1 0.93 0.02 . 1 . . . . 35 THR MG . 17235 1 413 . 1 1 35 35 THR HG22 H 1 0.93 0.02 . 1 . . . . 35 THR MG . 17235 1 414 . 1 1 35 35 THR HG23 H 1 0.93 0.02 . 1 . . . . 35 THR MG . 17235 1 415 . 1 1 35 35 THR C C 13 173.6 0.2 . 1 . . . . 35 THR C . 17235 1 416 . 1 1 35 35 THR CA C 13 65.0 0.2 . 1 . . . . 35 THR CA . 17235 1 417 . 1 1 35 35 THR CB C 13 69.5 0.2 . 1 . . . . 35 THR CB . 17235 1 418 . 1 1 35 35 THR CG2 C 13 22.2 0.2 . 1 . . . . 35 THR CG2 . 17235 1 419 . 1 1 35 35 THR N N 15 120.9 0.2 . 1 . . . . 35 THR N . 17235 1 420 . 1 1 36 36 ASN H H 1 8.88 0.02 . 1 . . . . 36 ASN H . 17235 1 421 . 1 1 36 36 ASN HA H 1 4.58 0.02 . 1 . . . . 36 ASN HA . 17235 1 422 . 1 1 36 36 ASN HB2 H 1 2.94 0.02 . 2 . . . . 36 ASN HB2 . 17235 1 423 . 1 1 36 36 ASN HB3 H 1 2.56 0.02 . 2 . . . . 36 ASN HB3 . 17235 1 424 . 1 1 36 36 ASN HD21 H 1 7.86 0.02 . 2 . . . . 36 ASN HD21 . 17235 1 425 . 1 1 36 36 ASN HD22 H 1 7.02 0.02 . 2 . . . . 36 ASN HD22 . 17235 1 426 . 1 1 36 36 ASN C C 13 174.2 0.2 . 1 . . . . 36 ASN C . 17235 1 427 . 1 1 36 36 ASN CA C 13 52.7 0.2 . 1 . . . . 36 ASN CA . 17235 1 428 . 1 1 36 36 ASN CB C 13 38.1 0.2 . 1 . . . . 36 ASN CB . 17235 1 429 . 1 1 36 36 ASN N N 15 128.0 0.2 . 1 . . . . 36 ASN N . 17235 1 430 . 1 1 36 36 ASN ND2 N 15 113.4 0.2 . 1 . . . . 36 ASN ND2 . 17235 1 431 . 1 1 37 37 LEU H H 1 7.77 0.2 . 1 . . . . 37 LEU H . 17235 1 432 . 1 1 37 37 LEU HA H 1 3.74 0.02 . 1 . . . . 37 LEU HA . 17235 1 433 . 1 1 37 37 LEU HB2 H 1 2.02 0.02 . 2 . . . . 37 LEU HB2 . 17235 1 434 . 1 1 37 37 LEU HB3 H 1 1.40 0.02 . 2 . . . . 37 LEU HB3 . 17235 1 435 . 1 1 37 37 LEU HD11 H 1 0.90 0.02 . 2 . . . . 37 LEU MD1 . 17235 1 436 . 1 1 37 37 LEU HD12 H 1 0.90 0.02 . 2 . . . . 37 LEU MD1 . 17235 1 437 . 1 1 37 37 LEU HD13 H 1 0.90 0.02 . 2 . . . . 37 LEU MD1 . 17235 1 438 . 1 1 37 37 LEU HD21 H 1 0.90 0.02 . 2 . . . . 37 LEU MD2 . 17235 1 439 . 1 1 37 37 LEU HD22 H 1 0.90 0.02 . 2 . . . . 37 LEU MD2 . 17235 1 440 . 1 1 37 37 LEU HD23 H 1 0.90 0.02 . 2 . . . . 37 LEU MD2 . 17235 1 441 . 1 1 37 37 LEU HG H 1 0.86 0.02 . 1 . . . . 37 LEU HG . 17235 1 442 . 1 1 37 37 LEU C C 13 177.0 0.2 . 1 . . . . 37 LEU C . 17235 1 443 . 1 1 37 37 LEU CA C 13 58.6 0.2 . 1 . . . . 37 LEU CA . 17235 1 444 . 1 1 37 37 LEU CB C 13 42.3 0.2 . 1 . . . . 37 LEU CB . 17235 1 445 . 1 1 37 37 LEU CD1 C 13 23.6 0.2 . 2 . . . . 37 LEU CD1 . 17235 1 446 . 1 1 37 37 LEU CD2 C 13 23.6 0.2 . 2 . . . . 37 LEU CD2 . 17235 1 447 . 1 1 37 37 LEU CG C 13 25.6 0.2 . 1 . . . . 37 LEU CG . 17235 1 448 . 1 1 37 37 LEU N N 15 125.5 0.2 . 1 . . . . 37 LEU N . 17235 1 449 . 1 1 38 38 ALA H H 1 9.16 0.02 . 1 . . . . 38 ALA H . 17235 1 450 . 1 1 38 38 ALA HA H 1 4.12 0.02 . 1 . . . . 38 ALA HA . 17235 1 451 . 1 1 38 38 ALA HB1 H 1 1.40 0.02 . 1 . . . . 38 ALA MB . 17235 1 452 . 1 1 38 38 ALA HB2 H 1 1.40 0.02 . 1 . . . . 38 ALA MB . 17235 1 453 . 1 1 38 38 ALA HB3 H 1 1.40 0.02 . 1 . . . . 38 ALA MB . 17235 1 454 . 1 1 38 38 ALA C C 13 179.9 0.2 . 1 . . . . 38 ALA C . 17235 1 455 . 1 1 38 38 ALA CA C 13 54.8 0.2 . 1 . . . . 38 ALA CA . 17235 1 456 . 1 1 38 38 ALA CB C 13 18.2 0.2 . 1 . . . . 38 ALA CB . 17235 1 457 . 1 1 38 38 ALA N N 15 117.8 0.2 . 1 . . . . 38 ALA N . 17235 1 458 . 1 1 39 39 LYS H H 1 7.73 0.02 . 1 . . . . 39 LYS H . 17235 1 459 . 1 1 39 39 LYS HA H 1 4.20 0.02 . 1 . . . . 39 LYS HA . 17235 1 460 . 1 1 39 39 LYS HB2 H 1 1.67 0.02 . 2 . . . . 39 LYS HB2 . 17235 1 461 . 1 1 39 39 LYS HB3 H 1 1.55 0.02 . 2 . . . . 39 LYS HB3 . 17235 1 462 . 1 1 39 39 LYS HD2 H 1 1.63 0.02 . 2 . . . . 39 LYS HD2 . 17235 1 463 . 1 1 39 39 LYS HD3 H 1 1.63 0.02 . 2 . . . . 39 LYS HD3 . 17235 1 464 . 1 1 39 39 LYS HE2 H 1 2.97 0.02 . 2 . . . . 39 LYS HE2 . 17235 1 465 . 1 1 39 39 LYS HE3 H 1 2.97 0.02 . 2 . . . . 39 LYS HE3 . 17235 1 466 . 1 1 39 39 LYS HG2 H 1 1.44 0.02 . 2 . . . . 39 LYS HG2 . 17235 1 467 . 1 1 39 39 LYS HG3 H 1 1.35 0.02 . 2 . . . . 39 LYS HG3 . 17235 1 468 . 1 1 39 39 LYS C C 13 178.8 0.2 . 1 . . . . 39 LYS C . 17235 1 469 . 1 1 39 39 LYS CA C 13 58.1 0.2 . 1 . . . . 39 LYS CA . 17235 1 470 . 1 1 39 39 LYS CB C 13 33.4 0.2 . 1 . . . . 39 LYS CB . 17235 1 471 . 1 1 39 39 LYS CD C 13 29.0 0.2 . 1 . . . . 39 LYS CD . 17235 1 472 . 1 1 39 39 LYS CE C 13 42.1 0.2 . 1 . . . . 39 LYS CE . 17235 1 473 . 1 1 39 39 LYS CG C 13 25.0 0.2 . 1 . . . . 39 LYS CG . 17235 1 474 . 1 1 39 39 LYS N N 15 115.4 0.2 . 1 . . . . 39 LYS N . 17235 1 475 . 1 1 40 40 ASP H H 1 8.76 0.02 . 1 . . . . 40 ASP H . 17235 1 476 . 1 1 40 40 ASP HA H 1 4.42 0.02 . 1 . . . . 40 ASP HA . 17235 1 477 . 1 1 40 40 ASP HB2 H 1 2.08 0.02 . 2 . . . . 40 ASP HB2 . 17235 1 478 . 1 1 40 40 ASP HB3 H 1 2.08 0.02 . 2 . . . . 40 ASP HB3 . 17235 1 479 . 1 1 40 40 ASP C C 13 177.4 0.2 . 1 . . . . 40 ASP C . 17235 1 480 . 1 1 40 40 ASP CA C 13 56.7 0.2 . 1 . . . . 40 ASP CA . 17235 1 481 . 1 1 40 40 ASP CB C 13 39.5 0.2 . 1 . . . . 40 ASP CB . 17235 1 482 . 1 1 40 40 ASP N N 15 118.1 0.2 . 1 . . . . 40 ASP N . 17235 1 483 . 1 1 41 41 PHE H H 1 7.27 0.02 . 1 . . . . 41 PHE H . 17235 1 484 . 1 1 41 41 PHE HA H 1 5.16 0.02 . 1 . . . . 41 PHE HA . 17235 1 485 . 1 1 41 41 PHE HB2 H 1 3.39 0.02 . 2 . . . . 41 PHE HB2 . 17235 1 486 . 1 1 41 41 PHE HB3 H 1 3.10 0.02 . 2 . . . . 41 PHE HB3 . 17235 1 487 . 1 1 41 41 PHE HD1 H 1 7.21 0.02 . 3 . . . . 41 PHE HD1 . 17235 1 488 . 1 1 41 41 PHE HD2 H 1 7.21 0.02 . 3 . . . . 41 PHE HD2 . 17235 1 489 . 1 1 41 41 PHE HE1 H 1 7.16 0.02 . 3 . . . . 41 PHE HE1 . 17235 1 490 . 1 1 41 41 PHE HE2 H 1 7.16 0.02 . 3 . . . . 41 PHE HE2 . 17235 1 491 . 1 1 41 41 PHE HZ H 1 7.09 0.02 . 1 . . . . 41 PHE HZ . 17235 1 492 . 1 1 41 41 PHE C C 13 174.5 0.2 . 1 . . . . 41 PHE C . 17235 1 493 . 1 1 41 41 PHE CA C 13 54.6 0.2 . 1 . . . . 41 PHE CA . 17235 1 494 . 1 1 41 41 PHE CB C 13 38.1 0.2 . 1 . . . . 41 PHE CB . 17235 1 495 . 1 1 41 41 PHE CD1 C 13 130.7 0.2 . 3 . . . . 41 PHE CD1 . 17235 1 496 . 1 1 41 41 PHE CD2 C 13 130.7 0.2 . 3 . . . . 41 PHE CD2 . 17235 1 497 . 1 1 41 41 PHE CE1 C 13 130.7 0.2 . 3 . . . . 41 PHE CE1 . 17235 1 498 . 1 1 41 41 PHE CE2 C 13 130.7 0.2 . 3 . . . . 41 PHE CE2 . 17235 1 499 . 1 1 41 41 PHE CZ C 13 128.9 0.2 . 1 . . . . 41 PHE CZ . 17235 1 500 . 1 1 41 41 PHE N N 15 114.3 0.2 . 1 . . . . 41 PHE N . 17235 1 501 . 1 1 42 42 ASN H H 1 7.58 0.02 . 1 . . . . 42 ASN H . 17235 1 502 . 1 1 42 42 ASN HA H 1 4.56 0.02 . 1 . . . . 42 ASN HA . 17235 1 503 . 1 1 42 42 ASN HB2 H 1 3.05 0.02 . 2 . . . . 42 ASN HB2 . 17235 1 504 . 1 1 42 42 ASN HB3 H 1 2.74 0.02 . 2 . . . . 42 ASN HB3 . 17235 1 505 . 1 1 42 42 ASN HD21 H 1 7.63 0.02 . 2 . . . . 42 ASN HD21 . 17235 1 506 . 1 1 42 42 ASN HD22 H 1 6.84 0.02 . 2 . . . . 42 ASN HD22 . 17235 1 507 . 1 1 42 42 ASN C C 13 174.4 0.2 . 1 . . . . 42 ASN C . 17235 1 508 . 1 1 42 42 ASN CA C 13 54.0 0.2 . 1 . . . . 42 ASN CA . 17235 1 509 . 1 1 42 42 ASN CB C 13 37.2 0.2 . 1 . . . . 42 ASN CB . 17235 1 510 . 1 1 42 42 ASN N N 15 117.1 0.2 . 1 . . . . 42 ASN N . 17235 1 511 . 1 1 42 42 ASN ND2 N 15 112.4 0.2 . 1 . . . . 42 ASN ND2 . 17235 1 512 . 1 1 43 43 LEU H H 1 8.07 0.02 . 1 . . . . 43 LEU H . 17235 1 513 . 1 1 43 43 LEU HA H 1 4.53 0.02 . 1 . . . . 43 LEU HA . 17235 1 514 . 1 1 43 43 LEU HB2 H 1 1.68 0.02 . 2 . . . . 43 LEU HB2 . 17235 1 515 . 1 1 43 43 LEU HB3 H 1 1.65 0.02 . 2 . . . . 43 LEU HB3 . 17235 1 516 . 1 1 43 43 LEU HD11 H 1 0.85 0.02 . 2 . . . . 43 LEU MD1 . 17235 1 517 . 1 1 43 43 LEU HD12 H 1 0.85 0.02 . 2 . . . . 43 LEU MD1 . 17235 1 518 . 1 1 43 43 LEU HD13 H 1 0.85 0.02 . 2 . . . . 43 LEU MD1 . 17235 1 519 . 1 1 43 43 LEU HD21 H 1 0.85 0.02 . 2 . . . . 43 LEU MD2 . 17235 1 520 . 1 1 43 43 LEU HD22 H 1 0.85 0.02 . 2 . . . . 43 LEU MD2 . 17235 1 521 . 1 1 43 43 LEU HD23 H 1 0.85 0.02 . 2 . . . . 43 LEU MD2 . 17235 1 522 . 1 1 43 43 LEU HG H 1 0.88 0.02 . 1 . . . . 43 LEU HG . 17235 1 523 . 1 1 43 43 LEU C C 13 177.1 0.2 . 1 . . . . 43 LEU C . 17235 1 524 . 1 1 43 43 LEU CA C 13 54.7 0.2 . 1 . . . . 43 LEU CA . 17235 1 525 . 1 1 43 43 LEU CB C 13 43.1 0.2 . 1 . . . . 43 LEU CB . 17235 1 526 . 1 1 43 43 LEU CD1 C 13 23.5 0.2 . 2 . . . . 43 LEU CD1 . 17235 1 527 . 1 1 43 43 LEU CD2 C 13 23.5 0.2 . 2 . . . . 43 LEU CD2 . 17235 1 528 . 1 1 43 43 LEU CG C 13 26.6 0.2 . 1 . . . . 43 LEU CG . 17235 1 529 . 1 1 43 43 LEU N N 15 118.1 0.2 . 1 . . . . 43 LEU N . 17235 1 530 . 1 1 44 44 ASP H H 1 9.24 0.02 . 1 . . . . 44 ASP H . 17235 1 531 . 1 1 44 44 ASP HB2 H 1 2.91 0.02 . 2 . . . . 44 ASP HB2 . 17235 1 532 . 1 1 44 44 ASP HB3 H 1 2.79 0.02 . 2 . . . . 44 ASP HB3 . 17235 1 533 . 1 1 44 44 ASP CA C 13 52.9 0.2 . 1 . . . . 44 ASP CA . 17235 1 534 . 1 1 44 44 ASP CB C 13 42.9 0.2 . 1 . . . . 44 ASP CB . 17235 1 535 . 1 1 44 44 ASP N N 15 124.4 0.2 . 1 . . . . 44 ASP N . 17235 1 536 . 1 1 45 45 SER H H 1 9.00 0.02 . 1 . . . . 45 SER H . 17235 1 537 . 1 1 45 45 SER C C 13 176.9 0.2 . 1 . . . . 45 SER C . 17235 1 538 . 1 1 45 45 SER N N 15 117.6 0.2 . 1 . . . . 45 SER N . 17235 1 539 . 1 1 46 46 LEU H H 1 8.34 0.02 . 1 . . . . 46 LEU H . 17235 1 540 . 1 1 46 46 LEU HA H 1 4.21 0.02 . 1 . . . . 46 LEU HA . 17235 1 541 . 1 1 46 46 LEU HB2 H 1 1.86 0.02 . 2 . . . . 46 LEU HB2 . 17235 1 542 . 1 1 46 46 LEU HB3 H 1 1.62 0.02 . 2 . . . . 46 LEU HB3 . 17235 1 543 . 1 1 46 46 LEU HD11 H 1 0.97 0.02 . 2 . . . . 46 LEU MD1 . 17235 1 544 . 1 1 46 46 LEU HD12 H 1 0.97 0.02 . 2 . . . . 46 LEU MD1 . 17235 1 545 . 1 1 46 46 LEU HD13 H 1 0.97 0.02 . 2 . . . . 46 LEU MD1 . 17235 1 546 . 1 1 46 46 LEU HD21 H 1 0.90 0.02 . 2 . . . . 46 LEU MD2 . 17235 1 547 . 1 1 46 46 LEU HD22 H 1 0.90 0.02 . 2 . . . . 46 LEU MD2 . 17235 1 548 . 1 1 46 46 LEU HD23 H 1 0.90 0.02 . 2 . . . . 46 LEU MD2 . 17235 1 549 . 1 1 46 46 LEU HG H 1 1.73 0.02 . 1 . . . . 46 LEU HG . 17235 1 550 . 1 1 46 46 LEU C C 13 179.3 0.2 . 1 . . . . 46 LEU C . 17235 1 551 . 1 1 46 46 LEU CA C 13 57.6 0.2 . 1 . . . . 46 LEU CA . 17235 1 552 . 1 1 46 46 LEU CB C 13 41.0 0.2 . 1 . . . . 46 LEU CB . 17235 1 553 . 1 1 46 46 LEU CD1 C 13 24.9 0.2 . 2 . . . . 46 LEU CD1 . 17235 1 554 . 1 1 46 46 LEU CD2 C 13 23.3 0.2 . 2 . . . . 46 LEU CD2 . 17235 1 555 . 1 1 46 46 LEU CG C 13 27.2 0.2 . 1 . . . . 46 LEU CG . 17235 1 556 . 1 1 46 46 LEU N N 15 122.1 0.2 . 1 . . . . 46 LEU N . 17235 1 557 . 1 1 47 47 ASP H H 1 8.01 0.02 . 1 . . . . 47 ASP H . 17235 1 558 . 1 1 47 47 ASP HA H 1 4.48 0.02 . 1 . . . . 47 ASP HA . 17235 1 559 . 1 1 47 47 ASP HB2 H 1 2.94 0.02 . 2 . . . . 47 ASP HB2 . 17235 1 560 . 1 1 47 47 ASP HB3 H 1 2.73 0.02 . 2 . . . . 47 ASP HB3 . 17235 1 561 . 1 1 47 47 ASP C C 13 178.0 0.2 . 1 . . . . 47 ASP C . 17235 1 562 . 1 1 47 47 ASP CA C 13 56.9 0.2 . 1 . . . . 47 ASP CA . 17235 1 563 . 1 1 47 47 ASP CB C 13 41.3 0.2 . 1 . . . . 47 ASP CB . 17235 1 564 . 1 1 47 47 ASP N N 15 119.9 0.2 . 1 . . . . 47 ASP N . 17235 1 565 . 1 1 48 48 PHE H H 1 7.93 0.02 . 1 . . . . 48 PHE H . 17235 1 566 . 1 1 48 48 PHE HA H 1 4.17 0.02 . 1 . . . . 48 PHE HA . 17235 1 567 . 1 1 48 48 PHE HB2 H 1 3.28 0.02 . 2 . . . . 48 PHE HB2 . 17235 1 568 . 1 1 48 48 PHE HB3 H 1 3.04 0.02 . 2 . . . . 48 PHE HB3 . 17235 1 569 . 1 1 48 48 PHE HD1 H 1 7.18 0.02 . 3 . . . . 48 PHE HD1 . 17235 1 570 . 1 1 48 48 PHE HD2 H 1 7.18 0.02 . 3 . . . . 48 PHE HD2 . 17235 1 571 . 1 1 48 48 PHE HE1 H 1 7.18 0.02 . 3 . . . . 48 PHE HE1 . 17235 1 572 . 1 1 48 48 PHE HE2 H 1 7.18 0.02 . 3 . . . . 48 PHE HE2 . 17235 1 573 . 1 1 48 48 PHE HZ H 1 7.35 0.02 . 1 . . . . 48 PHE HZ . 17235 1 574 . 1 1 48 48 PHE C C 13 176.7 0.2 . 1 . . . . 48 PHE C . 17235 1 575 . 1 1 48 48 PHE CA C 13 61.4 0.2 . 1 . . . . 48 PHE CA . 17235 1 576 . 1 1 48 48 PHE CB C 13 39.3 0.2 . 1 . . . . 48 PHE CB . 17235 1 577 . 1 1 48 48 PHE CD1 C 13 131.2 0.2 . 3 . . . . 48 PHE CD1 . 17235 1 578 . 1 1 48 48 PHE CD2 C 13 131.2 0.2 . 3 . . . . 48 PHE CD2 . 17235 1 579 . 1 1 48 48 PHE CZ C 13 130.1 0.2 . 1 . . . . 48 PHE CZ . 17235 1 580 . 1 1 48 48 PHE N N 15 119.1 0.2 . 1 . . . . 48 PHE N . 17235 1 581 . 1 1 49 49 VAL H H 1 7.78 0.02 . 1 . . . . 49 VAL H . 17235 1 582 . 1 1 49 49 VAL HA H 1 3.57 0.02 . 1 . . . . 49 VAL HA . 17235 1 583 . 1 1 49 49 VAL HB H 1 2.25 0.02 . 1 . . . . 49 VAL HB . 17235 1 584 . 1 1 49 49 VAL HG11 H 1 1.18 0.02 . 2 . . . . 49 VAL MG1 . 17235 1 585 . 1 1 49 49 VAL HG12 H 1 1.18 0.02 . 2 . . . . 49 VAL MG1 . 17235 1 586 . 1 1 49 49 VAL HG13 H 1 1.18 0.02 . 2 . . . . 49 VAL MG1 . 17235 1 587 . 1 1 49 49 VAL HG21 H 1 1.04 0.02 . 2 . . . . 49 VAL MG2 . 17235 1 588 . 1 1 49 49 VAL HG22 H 1 1.04 0.02 . 2 . . . . 49 VAL MG2 . 17235 1 589 . 1 1 49 49 VAL HG23 H 1 1.04 0.02 . 2 . . . . 49 VAL MG2 . 17235 1 590 . 1 1 49 49 VAL C C 13 178.1 0.2 . 1 . . . . 49 VAL C . 17235 1 591 . 1 1 49 49 VAL CA C 13 66.9 0.2 . 1 . . . . 49 VAL CA . 17235 1 592 . 1 1 49 49 VAL CB C 13 31.6 0.2 . 1 . . . . 49 VAL CB . 17235 1 593 . 1 1 49 49 VAL CG1 C 13 22.8 0.2 . 2 . . . . 49 VAL CG1 . 17235 1 594 . 1 1 49 49 VAL CG2 C 13 21.3 0.2 . 2 . . . . 49 VAL CG2 . 17235 1 595 . 1 1 49 49 VAL N N 15 119.2 0.2 . 1 . . . . 49 VAL N . 17235 1 596 . 1 1 50 50 ASP H H 1 7.77 0.02 . 1 . . . . 50 ASP H . 17235 1 597 . 1 1 50 50 ASP HA H 1 4.43 0.02 . 1 . . . . 50 ASP HA . 17235 1 598 . 1 1 50 50 ASP HB2 H 1 2.88 0.02 . 2 . . . . 50 ASP HB2 . 17235 1 599 . 1 1 50 50 ASP HB3 H 1 2.67 0.02 . 2 . . . . 50 ASP HB3 . 17235 1 600 . 1 1 50 50 ASP C C 13 178.9 0.2 . 1 . . . . 50 ASP C . 17235 1 601 . 1 1 50 50 ASP CA C 13 57.6 0.2 . 1 . . . . 50 ASP CA . 17235 1 602 . 1 1 50 50 ASP CB C 13 40.3 0.2 . 1 . . . . 50 ASP CB . 17235 1 603 . 1 1 50 50 ASP N N 15 119.5 0.2 . 1 . . . . 50 ASP N . 17235 1 604 . 1 1 51 51 LEU H H 1 7.84 0.02 . 1 . . . . 51 LEU H . 17235 1 605 . 1 1 51 51 LEU HA H 1 4.48 0.02 . 1 . . . . 51 LEU HA . 17235 1 606 . 1 1 51 51 LEU HB2 H 1 2.11 0.02 . 2 . . . . 51 LEU HB2 . 17235 1 607 . 1 1 51 51 LEU HB3 H 1 1.34 0.02 . 2 . . . . 51 LEU HB3 . 17235 1 608 . 1 1 51 51 LEU HG H 1 0.78 0.02 . 1 . . . . 51 LEU HG . 17235 1 609 . 1 1 51 51 LEU CA C 13 58.1 0.2 . 1 . . . . 51 LEU CA . 17235 1 610 . 1 1 51 51 LEU CB C 13 41.1 0.2 . 1 . . . . 51 LEU CB . 17235 1 611 . 1 1 51 51 LEU CG C 13 26.1 0.2 . 1 . . . . 51 LEU CG . 17235 1 612 . 1 1 51 51 LEU N N 15 122.3 0.2 . 1 . . . . 51 LEU N . 17235 1 613 . 1 1 52 52 ILE H H 1 8.29 0.02 . 1 . . . . 52 ILE H . 17235 1 614 . 1 1 52 52 ILE HA H 1 3.53 0.02 . 1 . . . . 52 ILE HA . 17235 1 615 . 1 1 52 52 ILE HB H 1 2.18 0.02 . 1 . . . . 52 ILE HB . 17235 1 616 . 1 1 52 52 ILE HD11 H 1 0.51 0.02 . 1 . . . . 52 ILE MD . 17235 1 617 . 1 1 52 52 ILE HD12 H 1 0.51 0.02 . 1 . . . . 52 ILE MD . 17235 1 618 . 1 1 52 52 ILE HD13 H 1 0.51 0.02 . 1 . . . . 52 ILE MD . 17235 1 619 . 1 1 52 52 ILE HG12 H 1 1.26 0.02 . 2 . . . . 52 ILE HG12 . 17235 1 620 . 1 1 52 52 ILE HG13 H 1 1.14 0.02 . 2 . . . . 52 ILE HG13 . 17235 1 621 . 1 1 52 52 ILE HG21 H 1 0.82 0.02 . 1 . . . . 52 ILE MG . 17235 1 622 . 1 1 52 52 ILE HG22 H 1 0.82 0.02 . 1 . . . . 52 ILE MG . 17235 1 623 . 1 1 52 52 ILE HG23 H 1 0.82 0.02 . 1 . . . . 52 ILE MG . 17235 1 624 . 1 1 52 52 ILE C C 13 178.3 0.2 . 1 . . . . 52 ILE C . 17235 1 625 . 1 1 52 52 ILE CA C 13 63.2 0.2 . 1 . . . . 52 ILE CA . 17235 1 626 . 1 1 52 52 ILE CB C 13 35.1 0.2 . 1 . . . . 52 ILE CB . 17235 1 627 . 1 1 52 52 ILE CD1 C 13 8.8 0.2 . 1 . . . . 52 ILE CD1 . 17235 1 628 . 1 1 52 52 ILE CG1 C 13 26.9 0.2 . 1 . . . . 52 ILE CG1 . 17235 1 629 . 1 1 52 52 ILE CG2 C 13 17.6 0.2 . 1 . . . . 52 ILE CG2 . 17235 1 630 . 1 1 52 52 ILE N N 15 119.9 0.2 . 1 . . . . 52 ILE N . 17235 1 631 . 1 1 53 53 MET H H 1 8.38 0.02 . 1 . . . . 53 MET H . 17235 1 632 . 1 1 53 53 MET HA H 1 4.46 0.02 . 1 . . . . 53 MET HA . 17235 1 633 . 1 1 53 53 MET HB2 H 1 2.21 0.02 . 2 . . . . 53 MET HB2 . 17235 1 634 . 1 1 53 53 MET HB3 H 1 2.21 0.02 . 2 . . . . 53 MET HB3 . 17235 1 635 . 1 1 53 53 MET HE1 H 1 2.14 0.02 . 1 . . . . 53 MET ME . 17235 1 636 . 1 1 53 53 MET HE2 H 1 2.14 0.02 . 1 . . . . 53 MET ME . 17235 1 637 . 1 1 53 53 MET HE3 H 1 2.14 0.02 . 1 . . . . 53 MET ME . 17235 1 638 . 1 1 53 53 MET HG2 H 1 2.86 0.02 . 2 . . . . 53 MET HG2 . 17235 1 639 . 1 1 53 53 MET HG3 H 1 2.63 0.02 . 2 . . . . 53 MET HG3 . 17235 1 640 . 1 1 53 53 MET C C 13 179.3 0.2 . 1 . . . . 53 MET C . 17235 1 641 . 1 1 53 53 MET CA C 13 59.4 0.2 . 1 . . . . 53 MET CA . 17235 1 642 . 1 1 53 53 MET CB C 13 32.9 0.2 . 1 . . . . 53 MET CB . 17235 1 643 . 1 1 53 53 MET CE C 13 16.9 0.2 . 1 . . . . 53 MET CE . 17235 1 644 . 1 1 53 53 MET CG C 13 32.3 0.2 . 1 . . . . 53 MET CG . 17235 1 645 . 1 1 53 53 MET N N 15 117.6 0.2 . 1 . . . . 53 MET N . 17235 1 646 . 1 1 54 54 SER H H 1 8.18 0.02 . 1 . . . . 54 SER H . 17235 1 647 . 1 1 54 54 SER HA H 1 4.34 0.02 . 1 . . . . 54 SER HA . 17235 1 648 . 1 1 54 54 SER HB2 H 1 4.08 0.02 . 2 . . . . 54 SER HB2 . 17235 1 649 . 1 1 54 54 SER HB3 H 1 4.08 0.02 . 2 . . . . 54 SER HB3 . 17235 1 650 . 1 1 54 54 SER C C 13 177.7 0.2 . 1 . . . . 54 SER C . 17235 1 651 . 1 1 54 54 SER CA C 13 61.9 0.2 . 1 . . . . 54 SER CA . 17235 1 652 . 1 1 54 54 SER CB C 13 63.6 0.2 . 1 . . . . 54 SER CB . 17235 1 653 . 1 1 54 54 SER N N 15 115.9 0.2 . 1 . . . . 54 SER N . 17235 1 654 . 1 1 55 55 LEU H H 1 8.45 0.02 . 1 . . . . 55 LEU H . 17235 1 655 . 1 1 55 55 LEU HA H 1 4.24 0.02 . 1 . . . . 55 LEU HA . 17235 1 656 . 1 1 55 55 LEU HB2 H 1 2.28 0.02 . 2 . . . . 55 LEU HB2 . 17235 1 657 . 1 1 55 55 LEU HB3 H 1 1.29 0.02 . 2 . . . . 55 LEU HB3 . 17235 1 658 . 1 1 55 55 LEU HD11 H 1 1.07 0.02 . 2 . . . . 55 LEU MD1 . 17235 1 659 . 1 1 55 55 LEU HD12 H 1 1.07 0.02 . 2 . . . . 55 LEU MD1 . 17235 1 660 . 1 1 55 55 LEU HD13 H 1 1.07 0.02 . 2 . . . . 55 LEU MD1 . 17235 1 661 . 1 1 55 55 LEU HD21 H 1 1.07 0.02 . 2 . . . . 55 LEU MD2 . 17235 1 662 . 1 1 55 55 LEU HD22 H 1 1.07 0.02 . 2 . . . . 55 LEU MD2 . 17235 1 663 . 1 1 55 55 LEU HD23 H 1 1.07 0.02 . 2 . . . . 55 LEU MD2 . 17235 1 664 . 1 1 55 55 LEU HG H 1 2.15 0.02 . 1 . . . . 55 LEU HG . 17235 1 665 . 1 1 55 55 LEU C C 13 178.9 0.2 . 1 . . . . 55 LEU C . 17235 1 666 . 1 1 55 55 LEU CA C 13 58.0 0.2 . 1 . . . . 55 LEU CA . 17235 1 667 . 1 1 55 55 LEU CB C 13 42.2 0.2 . 1 . . . . 55 LEU CB . 17235 1 668 . 1 1 55 55 LEU CD1 C 13 23.0 0.2 . 2 . . . . 55 LEU CD1 . 17235 1 669 . 1 1 55 55 LEU CD2 C 13 23.0 0.2 . 2 . . . . 55 LEU CD2 . 17235 1 670 . 1 1 55 55 LEU CG C 13 26.2 0.2 . 1 . . . . 55 LEU CG . 17235 1 671 . 1 1 55 55 LEU N N 15 122.5 0.2 . 1 . . . . 55 LEU N . 17235 1 672 . 1 1 56 56 GLU H H 1 8.76 0.02 . 1 . . . . 56 GLU H . 17235 1 673 . 1 1 56 56 GLU HA H 1 3.97 0.02 . 1 . . . . 56 GLU HA . 17235 1 674 . 1 1 56 56 GLU HB2 H 1 2.49 0.02 . 2 . . . . 56 GLU HB2 . 17235 1 675 . 1 1 56 56 GLU HB3 H 1 2.19 0.02 . 2 . . . . 56 GLU HB3 . 17235 1 676 . 1 1 56 56 GLU HG2 H 1 2.81 0.02 . 2 . . . . 56 GLU HG2 . 17235 1 677 . 1 1 56 56 GLU HG3 H 1 2.81 0.02 . 2 . . . . 56 GLU HG3 . 17235 1 678 . 1 1 56 56 GLU C C 13 179.6 0.2 . 1 . . . . 56 GLU C . 17235 1 679 . 1 1 56 56 GLU CA C 13 60.5 0.2 . 1 . . . . 56 GLU CA . 17235 1 680 . 1 1 56 56 GLU CB C 13 30.4 0.2 . 1 . . . . 56 GLU CB . 17235 1 681 . 1 1 56 56 GLU CG C 13 37.7 0.2 . 1 . . . . 56 GLU CG . 17235 1 682 . 1 1 56 56 GLU N N 15 119.1 0.2 . 1 . . . . 56 GLU N . 17235 1 683 . 1 1 57 57 GLU H H 1 7.80 0.02 . 1 . . . . 57 GLU H . 17235 1 684 . 1 1 57 57 GLU HA H 1 4.13 0.02 . 1 . . . . 57 GLU HA . 17235 1 685 . 1 1 57 57 GLU HG2 H 1 2.38 0.02 . 2 . . . . 57 GLU HG2 . 17235 1 686 . 1 1 57 57 GLU HG3 H 1 2.23 0.02 . 2 . . . . 57 GLU HG3 . 17235 1 687 . 1 1 57 57 GLU C C 13 179.2 0.2 . 1 . . . . 57 GLU C . 17235 1 688 . 1 1 57 57 GLU CA C 13 58.8 0.2 . 1 . . . . 57 GLU CA . 17235 1 689 . 1 1 57 57 GLU CB C 13 29.7 0.2 . 1 . . . . 57 GLU CB . 17235 1 690 . 1 1 57 57 GLU CG C 13 36.0 0.2 . 1 . . . . 57 GLU CG . 17235 1 691 . 1 1 57 57 GLU N N 15 116.8 0.2 . 1 . . . . 57 GLU N . 17235 1 692 . 1 1 58 58 ARG H H 1 8.34 0.02 . 1 . . . . 58 ARG H . 17235 1 693 . 1 1 58 58 ARG HA H 1 3.93 0.02 . 1 . . . . 58 ARG HA . 17235 1 694 . 1 1 58 58 ARG HB2 H 1 1.77 0.02 . 2 . . . . 58 ARG HB2 . 17235 1 695 . 1 1 58 58 ARG HB3 H 1 1.42 0.02 . 2 . . . . 58 ARG HB3 . 17235 1 696 . 1 1 58 58 ARG HD2 H 1 2.85 0.02 . 2 . . . . 58 ARG HD2 . 17235 1 697 . 1 1 58 58 ARG HD3 H 1 2.85 0.02 . 2 . . . . 58 ARG HD3 . 17235 1 698 . 1 1 58 58 ARG HG2 H 1 0.85 0.02 . 2 . . . . 58 ARG HG2 . 17235 1 699 . 1 1 58 58 ARG HG3 H 1 0.85 0.02 . 2 . . . . 58 ARG HG3 . 17235 1 700 . 1 1 58 58 ARG C C 13 178.1 0.2 . 1 . . . . 58 ARG C . 17235 1 701 . 1 1 58 58 ARG CA C 13 58.4 0.2 . 1 . . . . 58 ARG CA . 17235 1 702 . 1 1 58 58 ARG CB C 13 30.2 0.2 . 1 . . . . 58 ARG CB . 17235 1 703 . 1 1 58 58 ARG CD C 13 42.8 0.2 . 1 . . . . 58 ARG CD . 17235 1 704 . 1 1 58 58 ARG CG C 13 26.6 0.2 . 1 . . . . 58 ARG CG . 17235 1 705 . 1 1 58 58 ARG N N 15 119.0 0.2 . 1 . . . . 58 ARG N . 17235 1 706 . 1 1 59 59 PHE H H 1 8.21 0.02 . 1 . . . . 59 PHE H . 17235 1 707 . 1 1 59 59 PHE HA H 1 4.68 0.02 . 1 . . . . 59 PHE HA . 17235 1 708 . 1 1 59 59 PHE HB2 H 1 3.39 0.02 . 2 . . . . 59 PHE HB2 . 17235 1 709 . 1 1 59 59 PHE HB3 H 1 2.71 0.02 . 2 . . . . 59 PHE HB3 . 17235 1 710 . 1 1 59 59 PHE HD1 H 1 7.51 0.02 . 3 . . . . 59 PHE HD1 . 17235 1 711 . 1 1 59 59 PHE HD2 H 1 7.51 0.02 . 3 . . . . 59 PHE HD2 . 17235 1 712 . 1 1 59 59 PHE HE1 H 1 7.23 0.02 . 3 . . . . 59 PHE HE1 . 17235 1 713 . 1 1 59 59 PHE HE2 H 1 7.23 0.02 . 3 . . . . 59 PHE HE2 . 17235 1 714 . 1 1 59 59 PHE HZ H 1 7.13 0.02 . 1 . . . . 59 PHE HZ . 17235 1 715 . 1 1 59 59 PHE C C 13 173.9 0.2 . 1 . . . . 59 PHE C . 17235 1 716 . 1 1 59 59 PHE CA C 13 58.3 0.2 . 1 . . . . 59 PHE CA . 17235 1 717 . 1 1 59 59 PHE CB C 13 38.8 0.2 . 1 . . . . 59 PHE CB . 17235 1 718 . 1 1 59 59 PHE CD1 C 13 132.3 0.2 . 3 . . . . 59 PHE CD1 . 17235 1 719 . 1 1 59 59 PHE CD2 C 13 132.3 0.2 . 3 . . . . 59 PHE CD2 . 17235 1 720 . 1 1 59 59 PHE CE1 C 13 130.7 0.2 . 3 . . . . 59 PHE CE1 . 17235 1 721 . 1 1 59 59 PHE CE2 C 13 130.7 0.2 . 3 . . . . 59 PHE CE2 . 17235 1 722 . 1 1 59 59 PHE CZ C 13 129.4 0.2 . 1 . . . . 59 PHE CZ . 17235 1 723 . 1 1 59 59 PHE N N 15 113.0 0.2 . 1 . . . . 59 PHE N . 17235 1 724 . 1 1 60 60 SER H H 1 7.65 0.02 . 1 . . . . 60 SER H . 17235 1 725 . 1 1 60 60 SER HA H 1 4.18 0.02 . 1 . . . . 60 SER HA . 17235 1 726 . 1 1 60 60 SER HB2 H 1 4.10 0.02 . 2 . . . . 60 SER HB2 . 17235 1 727 . 1 1 60 60 SER HB3 H 1 4.05 0.02 . 2 . . . . 60 SER HB3 . 17235 1 728 . 1 1 60 60 SER C C 13 173.4 0.2 . 1 . . . . 60 SER C . 17235 1 729 . 1 1 60 60 SER CA C 13 58.4 0.2 . 1 . . . . 60 SER CA . 17235 1 730 . 1 1 60 60 SER CB C 13 61.0 0.2 . 1 . . . . 60 SER CB . 17235 1 731 . 1 1 60 60 SER N N 15 115.5 0.2 . 1 . . . . 60 SER N . 17235 1 732 . 1 1 61 61 LEU H H 1 8.15 0.02 . 1 . . . . 61 LEU H . 17235 1 733 . 1 1 61 61 LEU HB2 H 1 1.70 0.02 . 2 . . . . 61 LEU HB2 . 17235 1 734 . 1 1 61 61 LEU HB3 H 1 1.50 0.02 . 2 . . . . 61 LEU HB3 . 17235 1 735 . 1 1 61 61 LEU HG H 1 0.82 0.02 . 1 . . . . 61 LEU HG . 17235 1 736 . 1 1 61 61 LEU CA C 13 52.8 0.2 . 1 . . . . 61 LEU CA . 17235 1 737 . 1 1 61 61 LEU CB C 13 45.7 0.2 . 1 . . . . 61 LEU CB . 17235 1 738 . 1 1 61 61 LEU CD1 C 13 23.8 0.2 . 2 . . . . 61 LEU CD1 . 17235 1 739 . 1 1 61 61 LEU CD2 C 13 23.8 0.2 . 2 . . . . 61 LEU CD2 . 17235 1 740 . 1 1 61 61 LEU CG C 13 25.9 0.2 . 1 . . . . 61 LEU CG . 17235 1 741 . 1 1 61 61 LEU N N 15 117.5 0.2 . 1 . . . . 61 LEU N . 17235 1 742 . 1 1 62 62 GLU H H 1 8.27 0.02 . 1 . . . . 62 GLU H . 17235 1 743 . 1 1 62 62 GLU HA H 1 4.62 0.02 . 1 . . . . 62 GLU HA . 17235 1 744 . 1 1 62 62 GLU HB2 H 1 1.91 0.02 . 2 . . . . 62 GLU HB2 . 17235 1 745 . 1 1 62 62 GLU HB3 H 1 1.91 0.02 . 2 . . . . 62 GLU HB3 . 17235 1 746 . 1 1 62 62 GLU HG2 H 1 2.21 0.02 . 2 . . . . 62 GLU HG2 . 17235 1 747 . 1 1 62 62 GLU HG3 H 1 2.09 0.02 . 2 . . . . 62 GLU HG3 . 17235 1 748 . 1 1 62 62 GLU CA C 13 55.3 0.2 . 1 . . . . 62 GLU CA . 17235 1 749 . 1 1 62 62 GLU CB C 13 31.3 0.2 . 1 . . . . 62 GLU CB . 17235 1 750 . 1 1 62 62 GLU CG C 13 36.4 0.2 . 1 . . . . 62 GLU CG . 17235 1 751 . 1 1 62 62 GLU N N 15 119.9 0.2 . 1 . . . . 62 GLU N . 17235 1 752 . 1 1 63 63 ILE H H 1 10.12 0.02 . 1 . . . . 63 ILE H . 17235 1 753 . 1 1 63 63 ILE HA H 1 4.34 0.02 . 1 . . . . 63 ILE HA . 17235 1 754 . 1 1 63 63 ILE HB H 1 1.71 0.02 . 1 . . . . 63 ILE HB . 17235 1 755 . 1 1 63 63 ILE HD11 H 1 0.72 0.02 . 1 . . . . 63 ILE MD . 17235 1 756 . 1 1 63 63 ILE HD12 H 1 0.72 0.02 . 1 . . . . 63 ILE MD . 17235 1 757 . 1 1 63 63 ILE HD13 H 1 0.72 0.02 . 1 . . . . 63 ILE MD . 17235 1 758 . 1 1 63 63 ILE HG12 H 1 1.62 0.02 . 2 . . . . 63 ILE HG12 . 17235 1 759 . 1 1 63 63 ILE HG13 H 1 1.09 0.02 . 2 . . . . 63 ILE HG13 . 17235 1 760 . 1 1 63 63 ILE HG21 H 1 0.67 0.02 . 1 . . . . 63 ILE MG . 17235 1 761 . 1 1 63 63 ILE HG22 H 1 0.67 0.02 . 1 . . . . 63 ILE MG . 17235 1 762 . 1 1 63 63 ILE HG23 H 1 0.67 0.02 . 1 . . . . 63 ILE MG . 17235 1 763 . 1 1 63 63 ILE C C 13 175.1 0.2 . 1 . . . . 63 ILE C . 17235 1 764 . 1 1 63 63 ILE CA C 13 61.1 0.2 . 1 . . . . 63 ILE CA . 17235 1 765 . 1 1 63 63 ILE CB C 13 38.2 0.2 . 1 . . . . 63 ILE CB . 17235 1 766 . 1 1 63 63 ILE CD1 C 13 12.4 0.2 . 1 . . . . 63 ILE CD1 . 17235 1 767 . 1 1 63 63 ILE CG1 C 13 27.3 0.2 . 1 . . . . 63 ILE CG1 . 17235 1 768 . 1 1 63 63 ILE CG2 C 13 16.3 0.2 . 1 . . . . 63 ILE CG2 . 17235 1 769 . 1 1 63 63 ILE N N 15 128.8 0.2 . 1 . . . . 63 ILE N . 17235 1 770 . 1 1 64 64 SER H H 1 8.71 0.02 . 1 . . . . 64 SER H . 17235 1 771 . 1 1 64 64 SER HA H 1 4.33 0.02 . 1 . . . . 64 SER HA . 17235 1 772 . 1 1 64 64 SER HB2 H 1 4.34 0.02 . 2 . . . . 64 SER HB2 . 17235 1 773 . 1 1 64 64 SER HB3 H 1 4.09 0.02 . 2 . . . . 64 SER HB3 . 17235 1 774 . 1 1 64 64 SER C C 13 174.3 0.2 . 1 . . . . 64 SER C . 17235 1 775 . 1 1 64 64 SER CA C 13 57.7 0.2 . 1 . . . . 64 SER CA . 17235 1 776 . 1 1 64 64 SER CB C 13 64.8 0.2 . 1 . . . . 64 SER CB . 17235 1 777 . 1 1 64 64 SER N N 15 124.0 0.2 . 1 . . . . 64 SER N . 17235 1 778 . 1 1 65 65 ASP H H 1 8.95 0.02 . 1 . . . . 65 ASP H . 17235 1 779 . 1 1 65 65 ASP HB2 H 1 2.66 0.02 . 2 . . . . 65 ASP HB2 . 17235 1 780 . 1 1 65 65 ASP HB3 H 1 2.66 0.02 . 2 . . . . 65 ASP HB3 . 17235 1 781 . 1 1 65 65 ASP C C 13 178.5 0.2 . 1 . . . . 65 ASP C . 17235 1 782 . 1 1 65 65 ASP CA C 13 57.6 0.2 . 1 . . . . 65 ASP CA . 17235 1 783 . 1 1 65 65 ASP CB C 13 40.2 0.2 . 1 . . . . 65 ASP CB . 17235 1 784 . 1 1 65 65 ASP N N 15 121.9 0.2 . 1 . . . . 65 ASP N . 17235 1 785 . 1 1 66 66 GLU H H 1 8.52 0.02 . 1 . . . . 66 GLU H . 17235 1 786 . 1 1 66 66 GLU HA H 1 3.95 0.02 . 1 . . . . 66 GLU HA . 17235 1 787 . 1 1 66 66 GLU HB2 H 1 2.01 0.02 . 2 . . . . 66 GLU HB2 . 17235 1 788 . 1 1 66 66 GLU HB3 H 1 1.91 0.02 . 2 . . . . 66 GLU HB3 . 17235 1 789 . 1 1 66 66 GLU HG2 H 1 2.29 0.02 . 2 . . . . 66 GLU HG2 . 17235 1 790 . 1 1 66 66 GLU HG3 H 1 2.29 0.02 . 2 . . . . 66 GLU HG3 . 17235 1 791 . 1 1 66 66 GLU CA C 13 59.4 0.2 . 1 . . . . 66 GLU CA . 17235 1 792 . 1 1 66 66 GLU CB C 13 29.3 0.2 . 1 . . . . 66 GLU CB . 17235 1 793 . 1 1 66 66 GLU CG C 13 36.6 0.2 . 1 . . . . 66 GLU CG . 17235 1 794 . 1 1 66 66 GLU N N 15 118.0 0.2 . 1 . . . . 66 GLU N . 17235 1 795 . 1 1 67 67 ASP H H 1 7.78 0.02 . 1 . . . . 67 ASP H . 17235 1 796 . 1 1 67 67 ASP HA H 1 4.32 0.02 . 1 . . . . 67 ASP HA . 17235 1 797 . 1 1 67 67 ASP HB2 H 1 2.87 0.02 . 2 . . . . 67 ASP HB2 . 17235 1 798 . 1 1 67 67 ASP HB3 H 1 2.29 0.02 . 2 . . . . 67 ASP HB3 . 17235 1 799 . 1 1 67 67 ASP C C 13 178.9 0.2 . 1 . . . . 67 ASP C . 17235 1 800 . 1 1 67 67 ASP CA C 13 56.7 0.2 . 1 . . . . 67 ASP CA . 17235 1 801 . 1 1 67 67 ASP CB C 13 40.1 0.2 . 1 . . . . 67 ASP CB . 17235 1 802 . 1 1 67 67 ASP N N 15 120.2 0.2 . 1 . . . . 67 ASP N . 17235 1 803 . 1 1 68 68 ALA H H 1 8.69 0.02 . 1 . . . . 68 ALA H . 17235 1 804 . 1 1 68 68 ALA HA H 1 3.65 0.02 . 1 . . . . 68 ALA HA . 17235 1 805 . 1 1 68 68 ALA HB1 H 1 1.45 0.02 . 1 . . . . 68 ALA MB . 17235 1 806 . 1 1 68 68 ALA HB2 H 1 1.45 0.02 . 1 . . . . 68 ALA MB . 17235 1 807 . 1 1 68 68 ALA HB3 H 1 1.45 0.02 . 1 . . . . 68 ALA MB . 17235 1 808 . 1 1 68 68 ALA C C 13 179.4 0.2 . 1 . . . . 68 ALA C . 17235 1 809 . 1 1 68 68 ALA CA C 13 55.1 0.2 . 1 . . . . 68 ALA CA . 17235 1 810 . 1 1 68 68 ALA CB C 13 18.1 0.2 . 1 . . . . 68 ALA CB . 17235 1 811 . 1 1 68 68 ALA N N 15 122.0 0.2 . 1 . . . . 68 ALA N . 17235 1 812 . 1 1 69 69 GLN H H 1 7.44 0.02 . 1 . . . . 69 GLN H . 17235 1 813 . 1 1 69 69 GLN HA H 1 3.99 0.02 . 1 . . . . 69 GLN HA . 17235 1 814 . 1 1 69 69 GLN HB2 H 1 2.16 0.02 . 2 . . . . 69 GLN HB2 . 17235 1 815 . 1 1 69 69 GLN HB3 H 1 2.05 0.02 . 2 . . . . 69 GLN HB3 . 17235 1 816 . 1 1 69 69 GLN HE21 H 1 7.50 0.02 . 2 . . . . 69 GLN HE21 . 17235 1 817 . 1 1 69 69 GLN HE22 H 1 6.80 0.02 . 2 . . . . 69 GLN HE22 . 17235 1 818 . 1 1 69 69 GLN HG2 H 1 2.52 0.02 . 2 . . . . 69 GLN HG2 . 17235 1 819 . 1 1 69 69 GLN HG3 H 1 2.52 0.02 . 2 . . . . 69 GLN HG3 . 17235 1 820 . 1 1 69 69 GLN C C 13 176.9 0.2 . 1 . . . . 69 GLN C . 17235 1 821 . 1 1 69 69 GLN CA C 13 57.4 0.2 . 1 . . . . 69 GLN CA . 17235 1 822 . 1 1 69 69 GLN CB C 13 28.7 0.2 . 1 . . . . 69 GLN CB . 17235 1 823 . 1 1 69 69 GLN CG C 13 34.0 0.2 . 1 . . . . 69 GLN CG . 17235 1 824 . 1 1 69 69 GLN N N 15 112.8 0.2 . 1 . . . . 69 GLN N . 17235 1 825 . 1 1 69 69 GLN NE2 N 15 112.2 0.2 . 1 . . . . 69 GLN NE2 . 17235 1 826 . 1 1 70 70 LYS H H 1 7.20 0.02 . 1 . . . . 70 LYS H . 17235 1 827 . 1 1 70 70 LYS HA H 1 4.36 0.02 . 1 . . . . 70 LYS HA . 17235 1 828 . 1 1 70 70 LYS HB2 H 1 2.06 0.02 . 2 . . . . 70 LYS HB2 . 17235 1 829 . 1 1 70 70 LYS HB3 H 1 1.82 0.02 . 2 . . . . 70 LYS HB3 . 17235 1 830 . 1 1 70 70 LYS HG2 H 1 1.85 0.02 . 2 . . . . 70 LYS HG2 . 17235 1 831 . 1 1 70 70 LYS HG3 H 1 1.85 0.02 . 2 . . . . 70 LYS HG3 . 17235 1 832 . 1 1 70 70 LYS C C 13 176.5 0.2 . 1 . . . . 70 LYS C . 17235 1 833 . 1 1 70 70 LYS CA C 13 55.8 0.2 . 1 . . . . 70 LYS CA . 17235 1 834 . 1 1 70 70 LYS CB C 13 32.8 0.2 . 1 . . . . 70 LYS CB . 17235 1 835 . 1 1 70 70 LYS CD C 13 29.1 0.2 . 1 . . . . 70 LYS CD . 17235 1 836 . 1 1 70 70 LYS CE C 13 42.3 0.2 . 1 . . . . 70 LYS CE . 17235 1 837 . 1 1 70 70 LYS CG C 13 24.8 0.2 . 1 . . . . 70 LYS CG . 17235 1 838 . 1 1 70 70 LYS N N 15 115.0 0.2 . 1 . . . . 70 LYS N . 17235 1 839 . 1 1 71 71 LEU H H 1 7.37 0.02 . 1 . . . . 71 LEU H . 17235 1 840 . 1 1 71 71 LEU HA H 1 4.31 0.02 . 1 . . . . 71 LEU HA . 17235 1 841 . 1 1 71 71 LEU HB2 H 1 2.17 0.02 . 2 . . . . 71 LEU HB2 . 17235 1 842 . 1 1 71 71 LEU HB3 H 1 1.06 0.02 . 2 . . . . 71 LEU HB3 . 17235 1 843 . 1 1 71 71 LEU HD11 H 1 0.48 0.02 . 2 . . . . 71 LEU MD1 . 17235 1 844 . 1 1 71 71 LEU HD12 H 1 0.48 0.02 . 2 . . . . 71 LEU MD1 . 17235 1 845 . 1 1 71 71 LEU HD13 H 1 0.48 0.02 . 2 . . . . 71 LEU MD1 . 17235 1 846 . 1 1 71 71 LEU HD21 H 1 0.48 0.02 . 2 . . . . 71 LEU MD2 . 17235 1 847 . 1 1 71 71 LEU HD22 H 1 0.48 0.02 . 2 . . . . 71 LEU MD2 . 17235 1 848 . 1 1 71 71 LEU HD23 H 1 0.48 0.02 . 2 . . . . 71 LEU MD2 . 17235 1 849 . 1 1 71 71 LEU HG H 1 0.38 0.02 . 1 . . . . 71 LEU HG . 17235 1 850 . 1 1 71 71 LEU C C 13 174.2 0.2 . 1 . . . . 71 LEU C . 17235 1 851 . 1 1 71 71 LEU CA C 13 53.7 0.2 . 1 . . . . 71 LEU CA . 17235 1 852 . 1 1 71 71 LEU CB C 13 39.3 0.2 . 1 . . . . 71 LEU CB . 17235 1 853 . 1 1 71 71 LEU CD1 C 13 22.7 0.2 . 2 . . . . 71 LEU CD1 . 17235 1 854 . 1 1 71 71 LEU CD2 C 13 22.7 0.2 . 2 . . . . 71 LEU CD2 . 17235 1 855 . 1 1 71 71 LEU CG C 13 24.8 0.2 . 1 . . . . 71 LEU CG . 17235 1 856 . 1 1 71 71 LEU N N 15 121.2 0.2 . 1 . . . . 71 LEU N . 17235 1 857 . 1 1 72 72 GLU H H 1 8.50 0.02 . 1 . . . . 72 GLU H . 17235 1 858 . 1 1 72 72 GLU HA H 1 4.45 0.02 . 1 . . . . 72 GLU HA . 17235 1 859 . 1 1 72 72 GLU HB2 H 1 2.13 0.02 . 2 . . . . 72 GLU HB2 . 17235 1 860 . 1 1 72 72 GLU HB3 H 1 2.13 0.02 . 2 . . . . 72 GLU HB3 . 17235 1 861 . 1 1 72 72 GLU HG2 H 1 2.21 0.02 . 2 . . . . 72 GLU HG2 . 17235 1 862 . 1 1 72 72 GLU HG3 H 1 2.07 0.02 . 2 . . . . 72 GLU HG3 . 17235 1 863 . 1 1 72 72 GLU C C 13 177.3 0.2 . 1 . . . . 72 GLU C . 17235 1 864 . 1 1 72 72 GLU CA C 13 57.9 0.2 . 1 . . . . 72 GLU CA . 17235 1 865 . 1 1 72 72 GLU CB C 13 32.4 0.2 . 1 . . . . 72 GLU CB . 17235 1 866 . 1 1 72 72 GLU CG C 13 37.4 0.2 . 1 . . . . 72 GLU CG . 17235 1 867 . 1 1 72 72 GLU N N 15 120.5 0.2 . 1 . . . . 72 GLU N . 17235 1 868 . 1 1 73 73 THR H H 1 8.27 0.02 . 1 . . . . 73 THR H . 17235 1 869 . 1 1 73 73 THR HA H 1 5.38 0.02 . 1 . . . . 73 THR HA . 17235 1 870 . 1 1 73 73 THR HB H 1 4.71 0.02 . 1 . . . . 73 THR HB . 17235 1 871 . 1 1 73 73 THR HG21 H 1 1.08 0.02 . 1 . . . . 73 THR MG . 17235 1 872 . 1 1 73 73 THR HG22 H 1 1.08 0.02 . 1 . . . . 73 THR MG . 17235 1 873 . 1 1 73 73 THR HG23 H 1 1.08 0.02 . 1 . . . . 73 THR MG . 17235 1 874 . 1 1 73 73 THR C C 13 175.5 0.2 . 1 . . . . 73 THR C . 17235 1 875 . 1 1 73 73 THR CA C 13 58.3 0.2 . 1 . . . . 73 THR CA . 17235 1 876 . 1 1 73 73 THR CB C 13 73.2 0.2 . 1 . . . . 73 THR CB . 17235 1 877 . 1 1 73 73 THR CG2 C 13 21.5 0.2 . 1 . . . . 73 THR CG2 . 17235 1 878 . 1 1 73 73 THR N N 15 108.0 0.2 . 1 . . . . 73 THR N . 17235 1 879 . 1 1 74 74 VAL H H 1 9.22 0.02 . 1 . . . . 74 VAL H . 17235 1 880 . 1 1 74 74 VAL HA H 1 3.60 0.02 . 1 . . . . 74 VAL HA . 17235 1 881 . 1 1 74 74 VAL HB H 1 2.45 0.02 . 1 . . . . 74 VAL HB . 17235 1 882 . 1 1 74 74 VAL HG11 H 1 1.19 0.02 . 2 . . . . 74 VAL MG1 . 17235 1 883 . 1 1 74 74 VAL HG12 H 1 1.19 0.02 . 2 . . . . 74 VAL MG1 . 17235 1 884 . 1 1 74 74 VAL HG13 H 1 1.19 0.02 . 2 . . . . 74 VAL MG1 . 17235 1 885 . 1 1 74 74 VAL HG21 H 1 0.96 0.02 . 2 . . . . 74 VAL MG2 . 17235 1 886 . 1 1 74 74 VAL HG22 H 1 0.96 0.02 . 2 . . . . 74 VAL MG2 . 17235 1 887 . 1 1 74 74 VAL HG23 H 1 0.96 0.02 . 2 . . . . 74 VAL MG2 . 17235 1 888 . 1 1 74 74 VAL C C 13 178.5 0.2 . 1 . . . . 74 VAL C . 17235 1 889 . 1 1 74 74 VAL CA C 13 67.5 0.2 . 1 . . . . 74 VAL CA . 17235 1 890 . 1 1 74 74 VAL CB C 13 32.0 0.2 . 1 . . . . 74 VAL CB . 17235 1 891 . 1 1 74 74 VAL CG1 C 13 24.3 0.2 . 2 . . . . 74 VAL CG1 . 17235 1 892 . 1 1 74 74 VAL CG2 C 13 20.9 0.2 . 2 . . . . 74 VAL CG2 . 17235 1 893 . 1 1 74 74 VAL N N 15 121.2 0.2 . 1 . . . . 74 VAL N . 17235 1 894 . 1 1 75 75 ASP H H 1 9.57 0.02 . 1 . . . . 75 ASP H . 17235 1 895 . 1 1 75 75 ASP HA H 1 4.44 0.02 . 1 . . . . 75 ASP HA . 17235 1 896 . 1 1 75 75 ASP HB2 H 1 2.58 0.02 . 2 . . . . 75 ASP HB2 . 17235 1 897 . 1 1 75 75 ASP HB3 H 1 2.44 0.02 . 2 . . . . 75 ASP HB3 . 17235 1 898 . 1 1 75 75 ASP C C 13 178.9 0.2 . 1 . . . . 75 ASP C . 17235 1 899 . 1 1 75 75 ASP CA C 13 58.4 0.2 . 1 . . . . 75 ASP CA . 17235 1 900 . 1 1 75 75 ASP CB C 13 39.5 0.2 . 1 . . . . 75 ASP CB . 17235 1 901 . 1 1 75 75 ASP N N 15 122.9 0.2 . 1 . . . . 75 ASP N . 17235 1 902 . 1 1 76 76 ASP H H 1 8.38 0.02 . 1 . . . . 76 ASP H . 17235 1 903 . 1 1 76 76 ASP HA H 1 4.36 0.02 . 1 . . . . 76 ASP HA . 17235 1 904 . 1 1 76 76 ASP HB2 H 1 3.24 0.02 . 2 . . . . 76 ASP HB2 . 17235 1 905 . 1 1 76 76 ASP HB3 H 1 2.84 0.02 . 2 . . . . 76 ASP HB3 . 17235 1 906 . 1 1 76 76 ASP C C 13 179.6 0.2 . 1 . . . . 76 ASP C . 17235 1 907 . 1 1 76 76 ASP CA C 13 58.0 0.2 . 1 . . . . 76 ASP CA . 17235 1 908 . 1 1 76 76 ASP CB C 13 41.3 0.2 . 1 . . . . 76 ASP CB . 17235 1 909 . 1 1 76 76 ASP N N 15 120.5 0.2 . 1 . . . . 76 ASP N . 17235 1 910 . 1 1 77 77 ILE H H 1 8.11 0.02 . 1 . . . . 77 ILE H . 17235 1 911 . 1 1 77 77 ILE HA H 1 3.60 0.02 . 1 . . . . 77 ILE HA . 17235 1 912 . 1 1 77 77 ILE HB H 1 2.21 0.02 . 1 . . . . 77 ILE HB . 17235 1 913 . 1 1 77 77 ILE HD11 H 1 0.72 0.02 . 1 . . . . 77 ILE MD . 17235 1 914 . 1 1 77 77 ILE HD12 H 1 0.72 0.02 . 1 . . . . 77 ILE MD . 17235 1 915 . 1 1 77 77 ILE HD13 H 1 0.72 0.02 . 1 . . . . 77 ILE MD . 17235 1 916 . 1 1 77 77 ILE HG12 H 1 2.02 0.02 . 2 . . . . 77 ILE HG12 . 17235 1 917 . 1 1 77 77 ILE HG13 H 1 0.79 0.02 . 2 . . . . 77 ILE HG13 . 17235 1 918 . 1 1 77 77 ILE HG21 H 1 0.89 0.02 . 1 . . . . 77 ILE MG . 17235 1 919 . 1 1 77 77 ILE HG22 H 1 0.89 0.02 . 1 . . . . 77 ILE MG . 17235 1 920 . 1 1 77 77 ILE HG23 H 1 0.89 0.02 . 1 . . . . 77 ILE MG . 17235 1 921 . 1 1 77 77 ILE C C 13 177.4 0.2 . 1 . . . . 77 ILE C . 17235 1 922 . 1 1 77 77 ILE CA C 13 66.1 0.2 . 1 . . . . 77 ILE CA . 17235 1 923 . 1 1 77 77 ILE CB C 13 38.1 0.2 . 1 . . . . 77 ILE CB . 17235 1 924 . 1 1 77 77 ILE CD1 C 13 13.1 0.2 . 1 . . . . 77 ILE CD1 . 17235 1 925 . 1 1 77 77 ILE CG1 C 13 30.0 0.2 . 1 . . . . 77 ILE CG1 . 17235 1 926 . 1 1 77 77 ILE CG2 C 13 19.7 0.2 . 1 . . . . 77 ILE CG2 . 17235 1 927 . 1 1 77 77 ILE N N 15 121.3 0.2 . 1 . . . . 77 ILE N . 17235 1 928 . 1 1 78 78 CYS H H 1 8.69 0.02 . 1 . . . . 78 CYS H . 17235 1 929 . 1 1 78 78 CYS HA H 1 3.83 0.02 . 1 . . . . 78 CYS HA . 17235 1 930 . 1 1 78 78 CYS HB2 H 1 3.35 0.02 . 2 . . . . 78 CYS HB2 . 17235 1 931 . 1 1 78 78 CYS HB3 H 1 2.79 0.02 . 2 . . . . 78 CYS HB3 . 17235 1 932 . 1 1 78 78 CYS C C 13 176.9 0.2 . 1 . . . . 78 CYS C . 17235 1 933 . 1 1 78 78 CYS CA C 13 64.3 0.2 . 1 . . . . 78 CYS CA . 17235 1 934 . 1 1 78 78 CYS CB C 13 27.1 0.2 . 1 . . . . 78 CYS CB . 17235 1 935 . 1 1 78 78 CYS N N 15 117.6 0.2 . 1 . . . . 78 CYS N . 17235 1 936 . 1 1 79 79 ARG H H 1 8.52 0.02 . 1 . . . . 79 ARG H . 17235 1 937 . 1 1 79 79 ARG HA H 1 3.91 0.02 . 1 . . . . 79 ARG HA . 17235 1 938 . 1 1 79 79 ARG HB2 H 1 1.95 0.02 . 2 . . . . 79 ARG HB2 . 17235 1 939 . 1 1 79 79 ARG HB3 H 1 1.87 0.02 . 2 . . . . 79 ARG HB3 . 17235 1 940 . 1 1 79 79 ARG HD2 H 1 3.30 0.02 . 2 . . . . 79 ARG HD2 . 17235 1 941 . 1 1 79 79 ARG HD3 H 1 3.18 0.02 . 2 . . . . 79 ARG HD3 . 17235 1 942 . 1 1 79 79 ARG HG2 H 1 1.82 0.02 . 2 . . . . 79 ARG HG2 . 17235 1 943 . 1 1 79 79 ARG HG3 H 1 1.55 0.02 . 2 . . . . 79 ARG HG3 . 17235 1 944 . 1 1 79 79 ARG C C 13 178.5 0.2 . 1 . . . . 79 ARG C . 17235 1 945 . 1 1 79 79 ARG CA C 13 59.8 0.2 . 1 . . . . 79 ARG CA . 17235 1 946 . 1 1 79 79 ARG CB C 13 30.5 0.2 . 1 . . . . 79 ARG CB . 17235 1 947 . 1 1 79 79 ARG CD C 13 43.4 0.2 . 1 . . . . 79 ARG CD . 17235 1 948 . 1 1 79 79 ARG CG C 13 28.9 0.2 . 1 . . . . 79 ARG CG . 17235 1 949 . 1 1 79 79 ARG N N 15 119.6 0.2 . 1 . . . . 79 ARG N . 17235 1 950 . 1 1 80 80 TYR H H 1 8.10 0.02 . 1 . . . . 80 TYR H . 17235 1 951 . 1 1 80 80 TYR HA H 1 4.05 0.02 . 1 . . . . 80 TYR HA . 17235 1 952 . 1 1 80 80 TYR HB2 H 1 3.17 0.02 . 2 . . . . 80 TYR HB2 . 17235 1 953 . 1 1 80 80 TYR HB3 H 1 3.08 0.02 . 2 . . . . 80 TYR HB3 . 17235 1 954 . 1 1 80 80 TYR HD1 H 1 6.89 0.02 . 3 . . . . 80 TYR HD1 . 17235 1 955 . 1 1 80 80 TYR HD2 H 1 6.89 0.02 . 3 . . . . 80 TYR HD2 . 17235 1 956 . 1 1 80 80 TYR HE1 H 1 6.66 0.02 . 3 . . . . 80 TYR HE1 . 17235 1 957 . 1 1 80 80 TYR HE2 H 1 6.66 0.02 . 3 . . . . 80 TYR HE2 . 17235 1 958 . 1 1 80 80 TYR C C 13 178.1 0.2 . 1 . . . . 80 TYR C . 17235 1 959 . 1 1 80 80 TYR CA C 13 61.8 0.2 . 1 . . . . 80 TYR CA . 17235 1 960 . 1 1 80 80 TYR CB C 13 38.9 0.2 . 1 . . . . 80 TYR CB . 17235 1 961 . 1 1 80 80 TYR CD1 C 13 132.9 0.2 . 3 . . . . 80 TYR CD1 . 17235 1 962 . 1 1 80 80 TYR CD2 C 13 132.9 0.2 . 3 . . . . 80 TYR CD2 . 17235 1 963 . 1 1 80 80 TYR CE1 C 13 118.1 0.2 . 3 . . . . 80 TYR CE1 . 17235 1 964 . 1 1 80 80 TYR CE2 C 13 118.1 0.2 . 3 . . . . 80 TYR CE2 . 17235 1 965 . 1 1 80 80 TYR N N 15 122.0 0.2 . 1 . . . . 80 TYR N . 17235 1 966 . 1 1 81 81 ILE H H 1 8.53 0.02 . 1 . . . . 81 ILE H . 17235 1 967 . 1 1 81 81 ILE HA H 1 3.23 0.02 . 1 . . . . 81 ILE HA . 17235 1 968 . 1 1 81 81 ILE HB H 1 1.60 0.02 . 1 . . . . 81 ILE HB . 17235 1 969 . 1 1 81 81 ILE HD11 H 1 0.19 0.02 . 1 . . . . 81 ILE MD . 17235 1 970 . 1 1 81 81 ILE HD12 H 1 0.19 0.02 . 1 . . . . 81 ILE MD . 17235 1 971 . 1 1 81 81 ILE HD13 H 1 0.19 0.02 . 1 . . . . 81 ILE MD . 17235 1 972 . 1 1 81 81 ILE HG12 H 1 1.44 0.02 . 2 . . . . 81 ILE HG12 . 17235 1 973 . 1 1 81 81 ILE HG13 H 1 1.04 0.02 . 2 . . . . 81 ILE HG13 . 17235 1 974 . 1 1 81 81 ILE HG21 H 1 0.23 0.02 . 1 . . . . 81 ILE MG . 17235 1 975 . 1 1 81 81 ILE HG22 H 1 0.23 0.02 . 1 . . . . 81 ILE MG . 17235 1 976 . 1 1 81 81 ILE HG23 H 1 0.23 0.02 . 1 . . . . 81 ILE MG . 17235 1 977 . 1 1 81 81 ILE C C 13 179.0 0.2 . 1 . . . . 81 ILE C . 17235 1 978 . 1 1 81 81 ILE CA C 13 64.5 0.2 . 1 . . . . 81 ILE CA . 17235 1 979 . 1 1 81 81 ILE CB C 13 37.2 0.2 . 1 . . . . 81 ILE CB . 17235 1 980 . 1 1 81 81 ILE CD1 C 13 13.1 0.2 . 1 . . . . 81 ILE CD1 . 17235 1 981 . 1 1 81 81 ILE CG1 C 13 28.5 0.2 . 1 . . . . 81 ILE CG1 . 17235 1 982 . 1 1 81 81 ILE CG2 C 13 16.4 0.2 . 1 . . . . 81 ILE CG2 . 17235 1 983 . 1 1 81 81 ILE N N 15 120.0 0.2 . 1 . . . . 81 ILE N . 17235 1 984 . 1 1 82 82 ALA H H 1 8.23 0.02 . 1 . . . . 82 ALA H . 17235 1 985 . 1 1 82 82 ALA HA H 1 3.98 0.02 . 1 . . . . 82 ALA HA . 17235 1 986 . 1 1 82 82 ALA HB1 H 1 1.44 0.02 . 1 . . . . 82 ALA MB . 17235 1 987 . 1 1 82 82 ALA HB2 H 1 1.44 0.02 . 1 . . . . 82 ALA MB . 17235 1 988 . 1 1 82 82 ALA HB3 H 1 1.44 0.02 . 1 . . . . 82 ALA MB . 17235 1 989 . 1 1 82 82 ALA C C 13 179.7 0.2 . 1 . . . . 82 ALA C . 17235 1 990 . 1 1 82 82 ALA CA C 13 55.1 0.2 . 1 . . . . 82 ALA CA . 17235 1 991 . 1 1 82 82 ALA CB C 13 18.4 0.2 . 1 . . . . 82 ALA CB . 17235 1 992 . 1 1 82 82 ALA N N 15 121.3 0.2 . 1 . . . . 82 ALA N . 17235 1 993 . 1 1 83 83 SER H H 1 7.86 0.02 . 1 . . . . 83 SER H . 17235 1 994 . 1 1 83 83 SER HA H 1 4.27 0.02 . 1 . . . . 83 SER HA . 17235 1 995 . 1 1 83 83 SER HB2 H 1 3.94 0.02 . 2 . . . . 83 SER HB2 . 17235 1 996 . 1 1 83 83 SER HB3 H 1 3.94 0.02 . 2 . . . . 83 SER HB3 . 17235 1 997 . 1 1 83 83 SER C C 13 175.3 0.2 . 1 . . . . 83 SER C . 17235 1 998 . 1 1 83 83 SER CA C 13 60.7 0.2 . 1 . . . . 83 SER CA . 17235 1 999 . 1 1 83 83 SER CB C 13 63.0 0.2 . 1 . . . . 83 SER CB . 17235 1 1000 . 1 1 83 83 SER N N 15 113.1 0.2 . 1 . . . . 83 SER N . 17235 1 1001 . 1 1 84 84 LYS H H 1 7.40 0.02 . 1 . . . . 84 LYS H . 17235 1 1002 . 1 1 84 84 LYS HA H 1 4.31 0.02 . 1 . . . . 84 LYS HA . 17235 1 1003 . 1 1 84 84 LYS HB2 H 1 1.87 0.02 . 2 . . . . 84 LYS HB2 . 17235 1 1004 . 1 1 84 84 LYS HB3 H 1 1.57 0.02 . 2 . . . . 84 LYS HB3 . 17235 1 1005 . 1 1 84 84 LYS HD2 H 1 1.45 0.02 . 2 . . . . 84 LYS HD2 . 17235 1 1006 . 1 1 84 84 LYS HD3 H 1 1.45 0.02 . 2 . . . . 84 LYS HD3 . 17235 1 1007 . 1 1 84 84 LYS HE2 H 1 2.88 0.02 . 2 . . . . 84 LYS HE2 . 17235 1 1008 . 1 1 84 84 LYS HE3 H 1 2.65 0.02 . 2 . . . . 84 LYS HE3 . 17235 1 1009 . 1 1 84 84 LYS HG2 H 1 1.08 0.02 . 2 . . . . 84 LYS HG2 . 17235 1 1010 . 1 1 84 84 LYS HG3 H 1 1.03 0.02 . 2 . . . . 84 LYS HG3 . 17235 1 1011 . 1 1 84 84 LYS C C 13 177.0 0.2 . 1 . . . . 84 LYS C . 17235 1 1012 . 1 1 84 84 LYS CA C 13 55.3 0.2 . 1 . . . . 84 LYS CA . 17235 1 1013 . 1 1 84 84 LYS CB C 13 32.3 0.2 . 1 . . . . 84 LYS CB . 17235 1 1014 . 1 1 84 84 LYS CE C 13 42.1 0.2 . 1 . . . . 84 LYS CE . 17235 1 1015 . 1 1 84 84 LYS CG C 13 23.6 0.2 . 1 . . . . 84 LYS CG . 17235 1 1016 . 1 1 84 84 LYS N N 15 119.9 0.2 . 1 . . . . 84 LYS N . 17235 1 1017 . 1 1 85 85 SER H H 1 7.69 0.02 . 1 . . . . 85 SER H . 17235 1 1018 . 1 1 85 85 SER HA H 1 4.54 0.02 . 1 . . . . 85 SER HA . 17235 1 1019 . 1 1 85 85 SER HB2 H 1 3.98 0.02 . 2 . . . . 85 SER HB2 . 17235 1 1020 . 1 1 85 85 SER HB3 H 1 3.93 0.02 . 2 . . . . 85 SER HB3 . 17235 1 1021 . 1 1 85 85 SER C C 13 174.3 0.2 . 1 . . . . 85 SER C . 17235 1 1022 . 1 1 85 85 SER CA C 13 58.8 0.2 . 1 . . . . 85 SER CA . 17235 1 1023 . 1 1 85 85 SER CB C 13 64.1 0.2 . 1 . . . . 85 SER CB . 17235 1 1024 . 1 1 85 85 SER N N 15 114.7 0.2 . 1 . . . . 85 SER N . 17235 1 1025 . 1 1 86 86 SER H H 1 8.27 0.02 . 1 . . . . 86 SER H . 17235 1 1026 . 1 1 86 86 SER HA H 1 4.54 0.02 . 1 . . . . 86 SER HA . 17235 1 1027 . 1 1 86 86 SER HB2 H 1 3.96 0.02 . 2 . . . . 86 SER HB2 . 17235 1 1028 . 1 1 86 86 SER HB3 H 1 3.96 0.02 . 2 . . . . 86 SER HB3 . 17235 1 1029 . 1 1 86 86 SER C C 13 174.2 0.2 . 1 . . . . 86 SER C . 17235 1 1030 . 1 1 86 86 SER CA C 13 58.5 0.2 . 1 . . . . 86 SER CA . 17235 1 1031 . 1 1 86 86 SER N N 15 117.6 0.2 . 1 . . . . 86 SER N . 17235 1 1032 . 1 1 87 87 ASP H H 1 8.37 0.02 . 1 . . . . 87 ASP H . 17235 1 1033 . 1 1 87 87 ASP HA H 1 4.67 0.02 . 1 . . . . 87 ASP HA . 17235 1 1034 . 1 1 87 87 ASP HB2 H 1 2.76 0.02 . 2 . . . . 87 ASP HB2 . 17235 1 1035 . 1 1 87 87 ASP HB3 H 1 2.63 0.02 . 2 . . . . 87 ASP HB3 . 17235 1 1036 . 1 1 87 87 ASP C C 13 174.9 0.2 . 1 . . . . 87 ASP C . 17235 1 1037 . 1 1 87 87 ASP CA C 13 54.4 0.2 . 1 . . . . 87 ASP CA . 17235 1 1038 . 1 1 87 87 ASP CB C 13 41.1 0.2 . 1 . . . . 87 ASP CB . 17235 1 1039 . 1 1 87 87 ASP N N 15 122.8 0.2 . 1 . . . . 87 ASP N . 17235 1 1040 . 1 1 88 88 ALA H H 1 7.85 0.02 . 1 . . . . 88 ALA H . 17235 1 1041 . 1 1 88 88 ALA HA H 1 4.13 0.02 . 1 . . . . 88 ALA HA . 17235 1 1042 . 1 1 88 88 ALA HB1 H 1 1.35 0.02 . 1 . . . . 88 ALA MB . 17235 1 1043 . 1 1 88 88 ALA HB2 H 1 1.35 0.02 . 1 . . . . 88 ALA MB . 17235 1 1044 . 1 1 88 88 ALA HB3 H 1 1.35 0.02 . 1 . . . . 88 ALA MB . 17235 1 1045 . 1 1 88 88 ALA CA C 13 54.0 0.2 . 1 . . . . 88 ALA CA . 17235 1 1046 . 1 1 88 88 ALA CB C 13 20.2 0.2 . 1 . . . . 88 ALA CB . 17235 1 1047 . 1 1 88 88 ALA N N 15 111.3 0.2 . 1 . . . . 88 ALA N . 17235 1 stop_ save_