data_34408 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34408 _Entry.Title ; STRUCTURE OF [ASP58]-IGF-I ANALOGUE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2019-05-31 _Entry.Accession_date 2019-05-31 _Entry.Last_release_date 2019-10-11 _Entry.Original_release_date 2019-10-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34408 stop_ 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.ORCID _Entry_author.Entry_ID 1 J. Jiracek J. . . . 34408 2 L. Zakova L. . . . 34408 3 O. Socha O. . . . 34408 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID HORMONE . 34408 'IGF-I ANALOGUE' . 34408 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34408 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 189 34408 '15N chemical shifts' 74 34408 '1H chemical shifts' 461 34408 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 . . 2019-10-17 . original BMRB . 34408 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6RVA . 34408 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34408 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1074/jbc.RA119.010072 _Citation.PubMed_ID 31558604 _Citation.Full_citation . _Citation.Title ; Mutations at hypothetical binding site 2 in insulin and insulin-like growth factors 1 and 2 result in receptor- and hormone-specific responses. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM JBCHA3 _Citation.Journal_ISSN 1083-351X _Citation.Journal_CSD 0071 _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 2019 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 K. Machackova K. . . . 34408 1 2 K. Mlcochova K. . . . 34408 1 3 P. Potalitsyn P. . . . 34408 1 4 K. Hankova K. . . . 34408 1 5 O. Socha O. . . . 34408 1 6 M. Budesinsky M. . . . 34408 1 7 A. Muzdalo A. . . . 34408 1 8 M. Lepsik M. . . . 34408 1 9 M. Cernekova M. . . . 34408 1 10 J. Radosavljevic J. . . . 34408 1 11 M. Fabry M. . . . 34408 1 12 K. Mitrova K. . . . 34408 1 13 M. Chrudinova M. . . . 34408 1 14 J. Lin J. . . . 34408 1 15 Y. Yurenko Y. . . . 34408 1 16 P. Hobza P. . . . 34408 1 17 I. Selicharova I. . . . 34408 1 18 L. Akova L. . . . 34408 1 19 J. Jiracek J. . . . 34408 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34408 _Assembly.ID 1 _Assembly.Name 'Insulin-like growth factor I' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A X yes . . . . . . 34408 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 49 49 SG . . . . . . . . . . . . 34408 1 2 disulfide single . 1 . 1 CYS 19 19 SG . 1 . 1 CYS 62 62 SG . . . . . . . . . . . . 34408 1 3 disulfide single . 1 . 1 CYS 48 48 SG . 1 . 1 CYS 53 53 SG . . . . . . . . . . . . 34408 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34408 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID X _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GGPETLCGAELVDALQFVCG DRGFYFNKPTGYGSSSRRAP QTGIVDECCFRSCDLRRLDM YCAPLKPAKSA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 71 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7706.778 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID IGF-I na 34408 1 MGF na 34408 1 'Mechano growth factor' na 34408 1 Somatomedin-C na 34408 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 34408 1 2 . GLY . 34408 1 3 . PRO . 34408 1 4 . GLU . 34408 1 5 . THR . 34408 1 6 . LEU . 34408 1 7 . CYS . 34408 1 8 . GLY . 34408 1 9 . ALA . 34408 1 10 . GLU . 34408 1 11 . LEU . 34408 1 12 . VAL . 34408 1 13 . ASP . 34408 1 14 . ALA . 34408 1 15 . LEU . 34408 1 16 . GLN . 34408 1 17 . PHE . 34408 1 18 . VAL . 34408 1 19 . CYS . 34408 1 20 . GLY . 34408 1 21 . ASP . 34408 1 22 . ARG . 34408 1 23 . GLY . 34408 1 24 . PHE . 34408 1 25 . TYR . 34408 1 26 . PHE . 34408 1 27 . ASN . 34408 1 28 . LYS . 34408 1 29 . PRO . 34408 1 30 . THR . 34408 1 31 . GLY . 34408 1 32 . TYR . 34408 1 33 . GLY . 34408 1 34 . SER . 34408 1 35 . SER . 34408 1 36 . SER . 34408 1 37 . ARG . 34408 1 38 . ARG . 34408 1 39 . ALA . 34408 1 40 . PRO . 34408 1 41 . GLN . 34408 1 42 . THR . 34408 1 43 . GLY . 34408 1 44 . ILE . 34408 1 45 . VAL . 34408 1 46 . ASP . 34408 1 47 . GLU . 34408 1 48 . CYS . 34408 1 49 . CYS . 34408 1 50 . PHE . 34408 1 51 . ARG . 34408 1 52 . SER . 34408 1 53 . CYS . 34408 1 54 . ASP . 34408 1 55 . LEU . 34408 1 56 . ARG . 34408 1 57 . ARG . 34408 1 58 . LEU . 34408 1 59 . ASP . 34408 1 60 . MET . 34408 1 61 . TYR . 34408 1 62 . CYS . 34408 1 63 . ALA . 34408 1 64 . PRO . 34408 1 65 . LEU . 34408 1 66 . LYS . 34408 1 67 . PRO . 34408 1 68 . ALA . 34408 1 69 . LYS . 34408 1 70 . SER . 34408 1 71 . ALA . 34408 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 34408 1 . GLY 2 2 34408 1 . PRO 3 3 34408 1 . GLU 4 4 34408 1 . THR 5 5 34408 1 . LEU 6 6 34408 1 . CYS 7 7 34408 1 . GLY 8 8 34408 1 . ALA 9 9 34408 1 . GLU 10 10 34408 1 . LEU 11 11 34408 1 . VAL 12 12 34408 1 . ASP 13 13 34408 1 . ALA 14 14 34408 1 . LEU 15 15 34408 1 . GLN 16 16 34408 1 . PHE 17 17 34408 1 . VAL 18 18 34408 1 . CYS 19 19 34408 1 . GLY 20 20 34408 1 . ASP 21 21 34408 1 . ARG 22 22 34408 1 . GLY 23 23 34408 1 . PHE 24 24 34408 1 . TYR 25 25 34408 1 . PHE 26 26 34408 1 . ASN 27 27 34408 1 . LYS 28 28 34408 1 . PRO 29 29 34408 1 . THR 30 30 34408 1 . GLY 31 31 34408 1 . TYR 32 32 34408 1 . GLY 33 33 34408 1 . SER 34 34 34408 1 . SER 35 35 34408 1 . SER 36 36 34408 1 . ARG 37 37 34408 1 . ARG 38 38 34408 1 . ALA 39 39 34408 1 . PRO 40 40 34408 1 . GLN 41 41 34408 1 . THR 42 42 34408 1 . GLY 43 43 34408 1 . ILE 44 44 34408 1 . VAL 45 45 34408 1 . ASP 46 46 34408 1 . GLU 47 47 34408 1 . CYS 48 48 34408 1 . CYS 49 49 34408 1 . PHE 50 50 34408 1 . ARG 51 51 34408 1 . SER 52 52 34408 1 . CYS 53 53 34408 1 . ASP 54 54 34408 1 . LEU 55 55 34408 1 . ARG 56 56 34408 1 . ARG 57 57 34408 1 . LEU 58 58 34408 1 . ASP 59 59 34408 1 . MET 60 60 34408 1 . TYR 61 61 34408 1 . CYS 62 62 34408 1 . ALA 63 63 34408 1 . PRO 64 64 34408 1 . LEU 65 65 34408 1 . LYS 66 66 34408 1 . PRO 67 67 34408 1 . ALA 68 68 34408 1 . LYS 69 69 34408 1 . SER 70 70 34408 1 . ALA 71 71 34408 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 34408 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'IGF1, IBP1' . 34408 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 34408 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34408 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34408 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.18 mM [L-Asp58]-IGF-1 analogue, 0.01 % sodium azide, 50 mM [U-2H] acetic acid, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '[L-Asp58]-IGF-1 analogue' 'natural abundance' . . 1 $entity_1 . . 0.18 . . mM . . . . 34408 1 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34408 1 3 'acetic acid' [U-2H] . . . . . . 50 . . mM . . . . 34408 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34408 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.05 mM [U-13C; U-15N] [L-Asp58]-IGF-1 analogue, 0.01 % sodium azide, 50 mM [U-2H] acetic acid, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '[L-Asp58]-IGF-1 analogue' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.05 . . mM . . . . 34408 2 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34408 2 3 'acetic acid' [U-2H] . . . . . . 50 . . mM . . . . 34408 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34408 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.05 mM [U-13C; U-15N] [L-Asp58]-IGF-1 analogue, 0.01 % sodium azide, 50 mM [U-2H] acetic acid, 100% D2O' _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 '[L-Asp58]-IGF-1 analogue' '[U-13C; U-15N]' . . 1 $entity_1 . . 0.05 . . mM . . . . 34408 3 2 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34408 3 3 'acetic acid' [U-2H] . . . . . . 50 . . mM . . . . 34408 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34408 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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 . 'Not defined' 34408 1 pH 3.0 . pH 34408 1 pressure 1 . atm 34408 1 temperature 313.15 . K 34408 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34408 _Software.ID 1 _Software.Type . _Software.Name Xplor-NIH _Software.Version 2.44 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 34408 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34408 1 . 'structure calculation' 34408 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34408 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version 2.4.2 _Software.DOI . _Software.Details ; Wim F. Vranken, Wayne Boucher, Tim J. Stevens, Rasmus H. Fogh, Anne Pajon, Miguel Llinas, Eldon L. Ulrich, John L. Markley, John Ionides and Ernest D. Laue ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Wim F. Vranken, Wayne Boucher, and etc.' . . 34408 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 34408 2 . 'peak picking' 34408 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34408 _Software.ID 3 _Software.Type . _Software.Name TopSpin _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34408 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34408 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34408 _Software.ID 4 _Software.Type . _Software.Name TopSpin _Software.Version 3.5 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34408 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 34408 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34408 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34408 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 NMR_spectrometer_1 Bruker 'AVANCE III' . 600 . . . 34408 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 34408 _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-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34408 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34408 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34408 1 4 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34408 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34408 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 acetate 'methyl protons' . . . . ppm 2.05 internal indirect 0.25144953 . . . . . 34408 1 H 1 acetate 'methyl protons' . . . . ppm 2.05 internal direct 1.0 . . . . . 34408 1 N 15 acetate 'methyl protons' . . . . ppm 2.05 internal indirect 0.10132912 . . . . . 34408 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34408 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-1H TOCSY' . . . 34408 1 2 '2D 1H-1H NOESY' . . . 34408 1 3 '2D 1H-15N HSQC' . . . 34408 1 4 '2D 1H-13C HSQC' . . . 34408 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.898 . . 1 . . 454 . X 1 GLY HA2 . 34408 1 2 . 1 1 1 1 GLY HA3 H 1 3.898 . . 1 . . 453 . X 1 GLY HA3 . 34408 1 3 . 1 1 1 1 GLY CA C 13 43.265 . . 1 . . 502 . X 1 GLY CA . 34408 1 4 . 1 1 2 2 GLY H H 1 8.420 0.001 . 1 . . 215 . X 2 GLY H . 34408 1 5 . 1 1 2 2 GLY HA2 H 1 4.168 . . 1 . . 216 . X 2 GLY HA2 . 34408 1 6 . 1 1 2 2 GLY HA3 H 1 4.193 0.002 . 1 . . 217 . X 2 GLY HA3 . 34408 1 7 . 1 1 2 2 GLY CA C 13 44.533 . . 1 . . 495 . X 2 GLY CA . 34408 1 8 . 1 1 2 2 GLY N N 15 108.816 . . 1 . . 312 . X 2 GLY N . 34408 1 9 . 1 1 3 3 PRO HA H 1 4.418 . . 1 . . 398 . X 3 PRO HA . 34408 1 10 . 1 1 3 3 PRO HB2 H 1 1.902 . . 1 . . 394 . X 3 PRO HB2 . 34408 1 11 . 1 1 3 3 PRO HB3 H 1 2.225 0.002 . 1 . . 393 . X 3 PRO HB3 . 34408 1 12 . 1 1 3 3 PRO HG2 H 1 1.902 . . 1 . . 395 . X 3 PRO HG2 . 34408 1 13 . 1 1 3 3 PRO HG3 H 1 1.902 . . 1 . . 396 . X 3 PRO HG3 . 34408 1 14 . 1 1 3 3 PRO HD2 H 1 3.636 0.003 . 1 . . 397 . X 3 PRO HD2 . 34408 1 15 . 1 1 3 3 PRO HD3 H 1 3.634 0.001 . 1 . . 455 . X 3 PRO HD3 . 34408 1 16 . 1 1 3 3 PRO CA C 13 63.363 . . 1 . . 599 . X 3 PRO CA . 34408 1 17 . 1 1 3 3 PRO CB C 13 32.138 . . 1 . . 610 . X 3 PRO CB . 34408 1 18 . 1 1 3 3 PRO CG C 13 27.492 . . 1 . . 608 . X 3 PRO CG . 34408 1 19 . 1 1 3 3 PRO CD C 13 49.870 . . 1 . . 504 . X 3 PRO CD . 34408 1 20 . 1 1 4 4 GLU H H 1 8.573 0.003 . 1 . . 12 . X 4 GLU H . 34408 1 21 . 1 1 4 4 GLU HA H 1 4.472 0.001 . 1 . . 13 . X 4 GLU HA . 34408 1 22 . 1 1 4 4 GLU HB2 H 1 1.995 . . 1 . . 14 . X 4 GLU HB2 . 34408 1 23 . 1 1 4 4 GLU HB3 H 1 2.142 0.002 . 1 . . 15 . X 4 GLU HB3 . 34408 1 24 . 1 1 4 4 GLU HG2 H 1 2.435 . . 1 . . 16 . X 4 GLU HG2 . 34408 1 25 . 1 1 4 4 GLU HG3 H 1 2.435 . . 1 . . 17 . X 4 GLU HG3 . 34408 1 26 . 1 1 4 4 GLU CB C 13 29.547 0.013 . 1 . . 616 . X 4 GLU CB . 34408 1 27 . 1 1 4 4 GLU CG C 13 33.876 . . 1 . . 550 . X 4 GLU CG . 34408 1 28 . 1 1 4 4 GLU N N 15 120.087 . . 1 . . 331 . X 4 GLU N . 34408 1 29 . 1 1 5 5 THR H H 1 7.996 0.001 . 1 . . 114 . X 5 THR H . 34408 1 30 . 1 1 5 5 THR HA H 1 4.503 0.002 . 1 . . 115 . X 5 THR HA . 34408 1 31 . 1 1 5 5 THR HB H 1 4.236 0.002 . 1 . . 116 . X 5 THR HB . 34408 1 32 . 1 1 5 5 THR HG21 H 1 1.112 0.001 . 1 . . 117 . X 5 THR HG21 . 34408 1 33 . 1 1 5 5 THR HG22 H 1 1.112 0.001 . 1 . . 117 . X 5 THR HG22 . 34408 1 34 . 1 1 5 5 THR HG23 H 1 1.112 0.001 . 1 . . 117 . X 5 THR HG23 . 34408 1 35 . 1 1 5 5 THR CB C 13 70.058 . . 1 . . 494 . X 5 THR CB . 34408 1 36 . 1 1 5 5 THR CG2 C 13 21.905 . . 1 . . 631 . X 5 THR CG2 . 34408 1 37 . 1 1 5 5 THR N N 15 114.439 . . 1 . . 324 . X 5 THR N . 34408 1 38 . 1 1 6 6 LEU H H 1 8.242 0.001 . 1 . . 303 . X 6 LEU H . 34408 1 39 . 1 1 6 6 LEU HA H 1 4.440 0.001 . 1 . . 304 . X 6 LEU HA . 34408 1 40 . 1 1 6 6 LEU HB2 H 1 1.287 0.002 . 1 . . 307 . X 6 LEU HB2 . 34408 1 41 . 1 1 6 6 LEU HB3 H 1 1.591 0.003 . 1 . . 305 . X 6 LEU HB3 . 34408 1 42 . 1 1 6 6 LEU HG H 1 1.487 0.006 . 1 . . 306 . X 6 LEU HG . 34408 1 43 . 1 1 6 6 LEU HD11 H 1 0.837 0.003 . 1 . . 309 . X 6 LEU HD11 . 34408 1 44 . 1 1 6 6 LEU HD12 H 1 0.837 0.003 . 1 . . 309 . X 6 LEU HD12 . 34408 1 45 . 1 1 6 6 LEU HD13 H 1 0.837 0.003 . 1 . . 309 . X 6 LEU HD13 . 34408 1 46 . 1 1 6 6 LEU HD21 H 1 0.809 0.003 . 1 . . 308 . X 6 LEU HD21 . 34408 1 47 . 1 1 6 6 LEU HD22 H 1 0.809 0.003 . 1 . . 308 . X 6 LEU HD22 . 34408 1 48 . 1 1 6 6 LEU HD23 H 1 0.809 0.003 . 1 . . 308 . X 6 LEU HD23 . 34408 1 49 . 1 1 6 6 LEU CB C 13 44.464 0.029 . 1 . . 419 . X 6 LEU CB . 34408 1 50 . 1 1 6 6 LEU CG C 13 26.998 . . 1 . . 630 . X 6 LEU CG . 34408 1 51 . 1 1 6 6 LEU CD1 C 13 25.825 . . 1 . . 542 . X 6 LEU CD1 . 34408 1 52 . 1 1 6 6 LEU CD2 C 13 23.947 . . 1 . . 544 . X 6 LEU CD2 . 34408 1 53 . 1 1 6 6 LEU N N 15 124.291 . . 1 . . 343 . X 6 LEU N . 34408 1 54 . 1 1 7 7 CYS H H 1 8.185 0.005 . 1 . . 57 . X 7 CYS H . 34408 1 55 . 1 1 7 7 CYS HA H 1 4.678 0.003 . 1 . . 58 . X 7 CYS HA . 34408 1 56 . 1 1 7 7 CYS HB2 H 1 2.948 0.005 . 1 . . 59 . X 7 CYS HB2 . 34408 1 57 . 1 1 7 7 CYS HB3 H 1 3.092 0.002 . 1 . . 60 . X 7 CYS HB3 . 34408 1 58 . 1 1 7 7 CYS CB C 13 45.084 0.069 . 1 . . 575 . X 7 CYS CB . 34408 1 59 . 1 1 7 7 CYS N N 15 120.484 . . 1 . . 360 . X 7 CYS N . 34408 1 60 . 1 1 8 8 GLY H H 1 8.647 0.003 . 1 . . 9 . X 8 GLY H . 34408 1 61 . 1 1 8 8 GLY HA2 H 1 3.798 0.001 . 1 . . 10 . X 8 GLY HA2 . 34408 1 62 . 1 1 8 8 GLY HA3 H 1 3.932 0.001 . 1 . . 11 . X 8 GLY HA3 . 34408 1 63 . 1 1 8 8 GLY CA C 13 46.587 0.019 . 1 . . 497 . X 8 GLY CA . 34408 1 64 . 1 1 8 8 GLY N N 15 110.541 . . 1 . . 365 . X 8 GLY N . 34408 1 65 . 1 1 9 9 ALA H H 1 8.567 0.002 . 1 . . 18 . X 9 ALA H . 34408 1 66 . 1 1 9 9 ALA HA H 1 4.090 0.002 . 1 . . 20 . X 9 ALA HA . 34408 1 67 . 1 1 9 9 ALA HB1 H 1 1.440 0.002 . 1 . . 19 . X 9 ALA HB1 . 34408 1 68 . 1 1 9 9 ALA HB2 H 1 1.440 0.002 . 1 . . 19 . X 9 ALA HB2 . 34408 1 69 . 1 1 9 9 ALA HB3 H 1 1.440 0.002 . 1 . . 19 . X 9 ALA HB3 . 34408 1 70 . 1 1 9 9 ALA CA C 13 54.435 . . 1 . . 514 . X 9 ALA CA . 34408 1 71 . 1 1 9 9 ALA CB C 13 18.605 . . 1 . . 478 . X 9 ALA CB . 34408 1 72 . 1 1 9 9 ALA N N 15 126.728 . . 1 . . 342 . X 9 ALA N . 34408 1 73 . 1 1 10 10 GLU H H 1 8.088 0.003 . 1 . . 90 . X 10 GLU H . 34408 1 74 . 1 1 10 10 GLU HA H 1 4.144 0.001 . 1 . . 89 . X 10 GLU HA . 34408 1 75 . 1 1 10 10 GLU HB2 H 1 2.186 0.001 . 1 . . 93 . X 10 GLU HB2 . 34408 1 76 . 1 1 10 10 GLU HB3 H 1 2.121 0.004 . 1 . . 94 . X 10 GLU HB3 . 34408 1 77 . 1 1 10 10 GLU HG2 H 1 2.548 0.004 . 1 . . 91 . X 10 GLU HG2 . 34408 1 78 . 1 1 10 10 GLU HG3 H 1 2.548 0.004 . 1 . . 92 . X 10 GLU HG3 . 34408 1 79 . 1 1 10 10 GLU CA C 13 58.293 . . 1 . . 584 . X 10 GLU CA . 34408 1 80 . 1 1 10 10 GLU CB C 13 28.377 0.009 . 1 . . 615 . X 10 GLU CB . 34408 1 81 . 1 1 10 10 GLU CG C 13 34.269 . . 1 . . 417 . X 10 GLU CG . 34408 1 82 . 1 1 10 10 GLU N N 15 115.835 . . 1 . . 375 . X 10 GLU N . 34408 1 83 . 1 1 11 11 LEU H H 1 7.393 0.006 . 1 . . 300 . X 11 LEU H . 34408 1 84 . 1 1 11 11 LEU HA H 1 4.026 0.003 . 1 . . 296 . X 11 LEU HA . 34408 1 85 . 1 1 11 11 LEU HB2 H 1 1.311 0.003 . 1 . . 301 . X 11 LEU HB2 . 34408 1 86 . 1 1 11 11 LEU HB3 H 1 1.741 0.004 . 1 . . 299 . X 11 LEU HB3 . 34408 1 87 . 1 1 11 11 LEU HG H 1 1.376 0.006 . 1 . . 302 . X 11 LEU HG . 34408 1 88 . 1 1 11 11 LEU HD11 H 1 0.746 0.004 . 1 . . 297 . X 11 LEU HD11 . 34408 1 89 . 1 1 11 11 LEU HD12 H 1 0.746 0.004 . 1 . . 297 . X 11 LEU HD12 . 34408 1 90 . 1 1 11 11 LEU HD13 H 1 0.746 0.004 . 1 . . 297 . X 11 LEU HD13 . 34408 1 91 . 1 1 11 11 LEU HD21 H 1 0.747 0.004 . 1 . . 298 . X 11 LEU HD21 . 34408 1 92 . 1 1 11 11 LEU HD22 H 1 0.747 0.004 . 1 . . 298 . X 11 LEU HD22 . 34408 1 93 . 1 1 11 11 LEU HD23 H 1 0.747 0.004 . 1 . . 298 . X 11 LEU HD23 . 34408 1 94 . 1 1 11 11 LEU CB C 13 41.181 0.023 . 1 . . 644 . X 11 LEU CB . 34408 1 95 . 1 1 11 11 LEU CG C 13 27.233 . . 1 . . 629 . X 11 LEU CG . 34408 1 96 . 1 1 11 11 LEU CD1 C 13 25.440 . . 1 . . 482 . X 11 LEU CD1 . 34408 1 97 . 1 1 11 11 LEU CD2 C 13 23.614 . . 1 . . 481 . X 11 LEU CD2 . 34408 1 98 . 1 1 11 11 LEU N N 15 121.367 . . 1 . . 364 . X 11 LEU N . 34408 1 99 . 1 1 12 12 VAL H H 1 7.505 0.004 . 1 . . 203 . X 12 VAL H . 34408 1 100 . 1 1 12 12 VAL HA H 1 3.397 0.004 . 1 . . 204 . X 12 VAL HA . 34408 1 101 . 1 1 12 12 VAL HB H 1 2.072 0.001 . 1 . . 205 . X 12 VAL HB . 34408 1 102 . 1 1 12 12 VAL HG11 H 1 0.963 0.002 . 1 . . 207 . X 12 VAL HG11 . 34408 1 103 . 1 1 12 12 VAL HG12 H 1 0.963 0.002 . 1 . . 207 . X 12 VAL HG12 . 34408 1 104 . 1 1 12 12 VAL HG13 H 1 0.963 0.002 . 1 . . 207 . X 12 VAL HG13 . 34408 1 105 . 1 1 12 12 VAL HG21 H 1 0.964 0.002 . 1 . . 206 . X 12 VAL HG21 . 34408 1 106 . 1 1 12 12 VAL HG22 H 1 0.964 0.002 . 1 . . 206 . X 12 VAL HG22 . 34408 1 107 . 1 1 12 12 VAL HG23 H 1 0.964 0.002 . 1 . . 206 . X 12 VAL HG23 . 34408 1 108 . 1 1 12 12 VAL CA C 13 66.467 . . 1 . . 427 . X 12 VAL CA . 34408 1 109 . 1 1 12 12 VAL CB C 13 31.784 . . 1 . . 621 . X 12 VAL CB . 34408 1 110 . 1 1 12 12 VAL CG1 C 13 21.371 . . 1 . . 534 . X 12 VAL CG1 . 34408 1 111 . 1 1 12 12 VAL CG2 C 13 22.537 . . 1 . . 535 . X 12 VAL CG2 . 34408 1 112 . 1 1 12 12 VAL N N 15 117.905 . . 1 . . 335 . X 12 VAL N . 34408 1 113 . 1 1 13 13 ASP H H 1 8.091 0.004 . 1 . . 85 . X 13 ASP H . 34408 1 114 . 1 1 13 13 ASP HA H 1 4.408 0.0 . 1 . . 86 . X 13 ASP HA . 34408 1 115 . 1 1 13 13 ASP HB2 H 1 2.833 0.001 . 1 . . 87 . X 13 ASP HB2 . 34408 1 116 . 1 1 13 13 ASP HB3 H 1 2.833 0.001 . 1 . . 88 . X 13 ASP HB3 . 34408 1 117 . 1 1 13 13 ASP CA C 13 56.027 . . 1 . . 590 . X 13 ASP CA . 34408 1 118 . 1 1 13 13 ASP CB C 13 39.130 . . 1 . . 571 . X 13 ASP CB . 34408 1 119 . 1 1 13 13 ASP N N 15 118.138 . . 1 . . 374 . X 13 ASP N . 34408 1 120 . 1 1 14 14 ALA H H 1 7.755 0.005 . 1 . . 177 . X 14 ALA H . 34408 1 121 . 1 1 14 14 ALA HA H 1 4.222 0.002 . 1 . . 179 . X 14 ALA HA . 34408 1 122 . 1 1 14 14 ALA HB1 H 1 1.440 0.001 . 1 . . 178 . X 14 ALA HB1 . 34408 1 123 . 1 1 14 14 ALA HB2 H 1 1.440 0.001 . 1 . . 178 . X 14 ALA HB2 . 34408 1 124 . 1 1 14 14 ALA HB3 H 1 1.440 0.001 . 1 . . 178 . X 14 ALA HB3 . 34408 1 125 . 1 1 14 14 ALA CA C 13 55.172 . . 1 . . 518 . X 14 ALA CA . 34408 1 126 . 1 1 14 14 ALA CB C 13 18.605 . . 1 . . 479 . X 14 ALA CB . 34408 1 127 . 1 1 14 14 ALA N N 15 122.951 . . 1 . . 318 . X 14 ALA N . 34408 1 128 . 1 1 15 15 LEU H H 1 8.104 0.003 . 1 . . 78 . X 15 LEU H . 34408 1 129 . 1 1 15 15 LEU HA H 1 3.874 0.004 . 1 . . 79 . X 15 LEU HA . 34408 1 130 . 1 1 15 15 LEU HB2 H 1 1.460 0.002 . 1 . . 83 . X 15 LEU HB2 . 34408 1 131 . 1 1 15 15 LEU HB3 H 1 1.460 0.002 . 1 . . 84 . X 15 LEU HB3 . 34408 1 132 . 1 1 15 15 LEU HG H 1 1.272 0.001 . 1 . . 82 . X 15 LEU HG . 34408 1 133 . 1 1 15 15 LEU HD11 H 1 0.456 0.002 . 1 . . 80 . X 15 LEU HD11 . 34408 1 134 . 1 1 15 15 LEU HD12 H 1 0.456 0.002 . 1 . . 80 . X 15 LEU HD12 . 34408 1 135 . 1 1 15 15 LEU HD13 H 1 0.456 0.002 . 1 . . 80 . X 15 LEU HD13 . 34408 1 136 . 1 1 15 15 LEU HD21 H 1 0.667 0.003 . 1 . . 81 . X 15 LEU HD21 . 34408 1 137 . 1 1 15 15 LEU HD22 H 1 0.667 0.003 . 1 . . 81 . X 15 LEU HD22 . 34408 1 138 . 1 1 15 15 LEU HD23 H 1 0.667 0.003 . 1 . . 81 . X 15 LEU HD23 . 34408 1 139 . 1 1 15 15 LEU CA C 13 57.438 . . 1 . . 491 . X 15 LEU CA . 34408 1 140 . 1 1 15 15 LEU CB C 13 41.123 . . 1 . . 415 . X 15 LEU CB . 34408 1 141 . 1 1 15 15 LEU CD1 C 13 25.861 . . 1 . . 424 . X 15 LEU CD1 . 34408 1 142 . 1 1 15 15 LEU CD2 C 13 24.281 . . 1 . . 426 . X 15 LEU CD2 . 34408 1 143 . 1 1 15 15 LEU N N 15 118.702 . . 1 . . 367 . X 15 LEU N . 34408 1 144 . 1 1 16 16 GLN H H 1 8.132 0.001 . 1 . . 290 . X 16 GLN H . 34408 1 145 . 1 1 16 16 GLN HA H 1 4.122 0.003 . 1 . . 291 . X 16 GLN HA . 34408 1 146 . 1 1 16 16 GLN HB2 H 1 2.056 0.001 . 1 . . 292 . X 16 GLN HB2 . 34408 1 147 . 1 1 16 16 GLN HB3 H 1 2.188 0.002 . 1 . . 293 . X 16 GLN HB3 . 34408 1 148 . 1 1 16 16 GLN HG2 H 1 2.392 0.002 . 1 . . 294 . X 16 GLN HG2 . 34408 1 149 . 1 1 16 16 GLN HG3 H 1 2.472 0.005 . 1 . . 295 . X 16 GLN HG3 . 34408 1 150 . 1 1 16 16 GLN HE21 H 1 7.260 0.001 . 1 . . 288 . X 16 GLN HE21 . 34408 1 151 . 1 1 16 16 GLN HE22 H 1 6.728 0.002 . 1 . . 289 . X 16 GLN HE22 . 34408 1 152 . 1 1 16 16 GLN CA C 13 58.312 . . 1 . . 583 . X 16 GLN CA . 34408 1 153 . 1 1 16 16 GLN CB C 13 28.374 0.006 . 1 . . 614 . X 16 GLN CB . 34408 1 154 . 1 1 16 16 GLN CG C 13 34.154 . . 1 . . 551 . X 16 GLN CG . 34408 1 155 . 1 1 16 16 GLN N N 15 118.451 . . 1 . . 368 . X 16 GLN N . 34408 1 156 . 1 1 16 16 GLN NE2 N 15 110.812 . . 1 . . 473 . X 16 GLN NE2 . 34408 1 157 . 1 1 17 17 PHE H H 1 7.694 0.002 . 1 . . 180 . X 17 PHE H . 34408 1 158 . 1 1 17 17 PHE HA H 1 4.440 0.001 . 1 . . 181 . X 17 PHE HA . 34408 1 159 . 1 1 17 17 PHE HB2 H 1 3.231 0.002 . 1 . . 182 . X 17 PHE HB2 . 34408 1 160 . 1 1 17 17 PHE HB3 H 1 3.231 0.002 . 1 . . 183 . X 17 PHE HB3 . 34408 1 161 . 1 1 17 17 PHE HD1 H 1 7.258 0.003 . 1 . . 184 . X 17 PHE HD1 . 34408 1 162 . 1 1 17 17 PHE HD2 H 1 7.258 0.003 . 1 . . 184 . X 17 PHE HD2 . 34408 1 163 . 1 1 17 17 PHE HE1 H 1 7.332 0.004 . 1 . . 185 . X 17 PHE HE1 . 34408 1 164 . 1 1 17 17 PHE HE2 H 1 7.332 0.004 . 1 . . 185 . X 17 PHE HE2 . 34408 1 165 . 1 1 17 17 PHE CB C 13 39.383 . . 1 . . 567 . X 17 PHE CB . 34408 1 166 . 1 1 17 17 PHE N N 15 118.689 . . 1 . . 334 . X 17 PHE N . 34408 1 167 . 1 1 18 18 VAL H H 1 8.288 0.003 . 1 . . 218 . X 18 VAL H . 34408 1 168 . 1 1 18 18 VAL HA H 1 3.740 0.001 . 1 . . 219 . X 18 VAL HA . 34408 1 169 . 1 1 18 18 VAL HB H 1 2.055 0.002 . 1 . . 220 . X 18 VAL HB . 34408 1 170 . 1 1 18 18 VAL HG11 H 1 0.920 0.004 . 1 . . 222 . X 18 VAL HG11 . 34408 1 171 . 1 1 18 18 VAL HG12 H 1 0.920 0.004 . 1 . . 222 . X 18 VAL HG12 . 34408 1 172 . 1 1 18 18 VAL HG13 H 1 0.920 0.004 . 1 . . 222 . X 18 VAL HG13 . 34408 1 173 . 1 1 18 18 VAL HG21 H 1 1.105 0.001 . 1 . . 221 . X 18 VAL HG21 . 34408 1 174 . 1 1 18 18 VAL HG22 H 1 1.105 0.001 . 1 . . 221 . X 18 VAL HG22 . 34408 1 175 . 1 1 18 18 VAL HG23 H 1 1.105 0.001 . 1 . . 221 . X 18 VAL HG23 . 34408 1 176 . 1 1 18 18 VAL CB C 13 32.739 . . 1 . . 620 . X 18 VAL CB . 34408 1 177 . 1 1 18 18 VAL CG1 C 13 21.495 . . 1 . . 533 . X 18 VAL CG1 . 34408 1 178 . 1 1 18 18 VAL CG2 C 13 22.713 . . 1 . . 632 . X 18 VAL CG2 . 34408 1 179 . 1 1 18 18 VAL N N 15 118.219 . . 1 . . 347 . X 18 VAL N . 34408 1 180 . 1 1 19 19 CYS H H 1 8.544 0.002 . 1 . . 21 . X 19 CYS H . 34408 1 181 . 1 1 19 19 CYS HA H 1 4.786 0.002 . 1 . . 22 . X 19 CYS HA . 34408 1 182 . 1 1 19 19 CYS HB2 H 1 2.890 0.003 . 1 . . 23 . X 19 CYS HB2 . 34408 1 183 . 1 1 19 19 CYS HB3 H 1 3.261 0.001 . 1 . . 24 . X 19 CYS HB3 . 34408 1 184 . 1 1 19 19 CYS CA C 13 54.157 . . 1 . . 489 . X 19 CYS CA . 34408 1 185 . 1 1 19 19 CYS CB C 13 37.622 . . 1 . . 565 . X 19 CYS CB . 34408 1 186 . 1 1 19 19 CYS N N 15 116.084 . . 1 . . 333 . X 19 CYS N . 34408 1 187 . 1 1 20 20 GLY H H 1 7.812 0.003 . 1 . . 156 . X 20 GLY H . 34408 1 188 . 1 1 20 20 GLY HA2 H 1 3.949 . . 1 . . 157 . X 20 GLY HA2 . 34408 1 189 . 1 1 20 20 GLY HA3 H 1 3.976 0.003 . 1 . . 158 . X 20 GLY HA3 . 34408 1 190 . 1 1 20 20 GLY CA C 13 46.619 0.017 . 1 . . 501 . X 20 GLY CA . 34408 1 191 . 1 1 20 20 GLY N N 15 109.309 . . 1 . . 322 . X 20 GLY N . 34408 1 192 . 1 1 21 21 ASP H H 1 8.683 0.001 . 1 . . 5 . X 21 ASP H . 34408 1 193 . 1 1 21 21 ASP HA H 1 4.549 . . 1 . . 6 . X 21 ASP HA . 34408 1 194 . 1 1 21 21 ASP HB2 H 1 2.855 0.0 . 1 . . 8 . X 21 ASP HB2 . 34408 1 195 . 1 1 21 21 ASP HB3 H 1 2.855 0.0 . 1 . . 7 . X 21 ASP HB3 . 34408 1 196 . 1 1 21 21 ASP N N 15 122.508 . . 1 . . 362 . X 21 ASP N . 34408 1 197 . 1 1 22 22 ARG H H 1 8.070 0.002 . 1 . . 95 . X 22 ARG H . 34408 1 198 . 1 1 22 22 ARG HA H 1 4.187 0.001 . 1 . . 100 . X 22 ARG HA . 34408 1 199 . 1 1 22 22 ARG HB2 H 1 2.022 0.003 . 1 . . 96 . X 22 ARG HB2 . 34408 1 200 . 1 1 22 22 ARG HB3 H 1 1.936 0.004 . 1 . . 97 . X 22 ARG HB3 . 34408 1 201 . 1 1 22 22 ARG HG2 H 1 1.812 0.001 . 1 . . 98 . X 22 ARG HG2 . 34408 1 202 . 1 1 22 22 ARG HG3 H 1 1.714 0.002 . 1 . . 99 . X 22 ARG HG3 . 34408 1 203 . 1 1 22 22 ARG HD2 H 1 3.264 0.003 . 1 . . 101 . X 22 ARG HD2 . 34408 1 204 . 1 1 22 22 ARG HD3 H 1 3.265 0.003 . 1 . . 102 . X 22 ARG HD3 . 34408 1 205 . 1 1 22 22 ARG HE H 1 7.095 0.002 . 1 . . 103 . X 22 ARG HE . 34408 1 206 . 1 1 22 22 ARG CA C 13 57.408 . . 1 . . 581 . X 22 ARG CA . 34408 1 207 . 1 1 22 22 ARG CB C 13 30.920 . . 1 . . 619 . X 22 ARG CB . 34408 1 208 . 1 1 22 22 ARG CG C 13 27.230 0.004 . 1 . . 635 . X 22 ARG CG . 34408 1 209 . 1 1 22 22 ARG CD C 13 44.091 . . 1 . . 561 . X 22 ARG CD . 34408 1 210 . 1 1 22 22 ARG N N 15 118.625 . . 1 . . 337 . X 22 ARG N . 34408 1 211 . 1 1 22 22 ARG NE N 15 84.297 . . 1 . . 466 . X 22 ARG NE . 34408 1 212 . 1 1 23 23 GLY H H 1 7.549 0.004 . 1 . . 200 . X 23 GLY H . 34408 1 213 . 1 1 23 23 GLY HA2 H 1 3.768 0.004 . 1 . . 201 . X 23 GLY HA2 . 34408 1 214 . 1 1 23 23 GLY HA3 H 1 3.980 0.004 . 1 . . 202 . X 23 GLY HA3 . 34408 1 215 . 1 1 23 23 GLY CA C 13 44.695 0.008 . 1 . . 498 . X 23 GLY CA . 34408 1 216 . 1 1 23 23 GLY N N 15 104.575 . . 1 . . 376 . X 23 GLY N . 34408 1 217 . 1 1 24 24 PHE H H 1 7.583 0.002 . 1 . . 193 . X 24 PHE H . 34408 1 218 . 1 1 24 24 PHE HA H 1 5.009 0.006 . 1 . . 194 . X 24 PHE HA . 34408 1 219 . 1 1 24 24 PHE HB2 H 1 3.131 0.007 . 1 . . 195 . X 24 PHE HB2 . 34408 1 220 . 1 1 24 24 PHE HB3 H 1 2.865 0.005 . 1 . . 196 . X 24 PHE HB3 . 34408 1 221 . 1 1 24 24 PHE HD1 H 1 6.857 0.002 . 1 . . 197 . X 24 PHE HD1 . 34408 1 222 . 1 1 24 24 PHE HD2 H 1 6.857 0.002 . 1 . . 197 . X 24 PHE HD2 . 34408 1 223 . 1 1 24 24 PHE HE1 H 1 7.161 0.007 . 1 . . 198 . X 24 PHE HE1 . 34408 1 224 . 1 1 24 24 PHE HE2 H 1 7.161 0.007 . 1 . . 198 . X 24 PHE HE2 . 34408 1 225 . 1 1 24 24 PHE HZ H 1 7.231 0.001 . 1 . . 199 . X 24 PHE HZ . 34408 1 226 . 1 1 24 24 PHE CA C 13 56.349 . . 1 . . 486 . X 24 PHE CA . 34408 1 227 . 1 1 24 24 PHE CB C 13 41.582 0.012 . 1 . . 573 . X 24 PHE CB . 34408 1 228 . 1 1 24 24 PHE CD1 C 13 132.588 . . 1 . . 527 . X 24 PHE CD1 . 34408 1 229 . 1 1 24 24 PHE CD2 C 13 132.588 . . 1 . . 527 . X 24 PHE CD2 . 34408 1 230 . 1 1 24 24 PHE N N 15 115.196 . . 1 . . 351 . X 24 PHE N . 34408 1 231 . 1 1 25 25 TYR H H 1 8.442 0.003 . 1 . . 345 . X 25 TYR H . 34408 1 232 . 1 1 25 25 TYR HA H 1 4.729 . . 1 . . 465 . X 25 TYR HA . 34408 1 233 . 1 1 25 25 TYR HB2 H 1 2.908 0.004 . 1 . . 377 . X 25 TYR HB2 . 34408 1 234 . 1 1 25 25 TYR HB3 H 1 3.051 0.003 . 1 . . 378 . X 25 TYR HB3 . 34408 1 235 . 1 1 25 25 TYR HD1 H 1 7.050 0.003 . 1 . . 389 . X 25 TYR HD1 . 34408 1 236 . 1 1 25 25 TYR HD2 H 1 7.050 0.003 . 1 . . 389 . X 25 TYR HD2 . 34408 1 237 . 1 1 25 25 TYR HE1 H 1 6.788 0.005 . 1 . . 390 . X 25 TYR HE1 . 34408 1 238 . 1 1 25 25 TYR HE2 H 1 6.788 0.005 . 1 . . 390 . X 25 TYR HE2 . 34408 1 239 . 1 1 25 25 TYR CB C 13 39.876 . . 1 . . 568 . X 25 TYR CB . 34408 1 240 . 1 1 25 25 TYR CD1 C 13 133.384 . . 1 . . 528 . X 25 TYR CD1 . 34408 1 241 . 1 1 25 25 TYR CD2 C 13 133.384 . . 1 . . 528 . X 25 TYR CD2 . 34408 1 242 . 1 1 25 25 TYR CE1 C 13 118.204 . . 1 . . 525 . X 25 TYR CE1 . 34408 1 243 . 1 1 25 25 TYR CE2 C 13 118.204 . . 1 . . 525 . X 25 TYR CE2 . 34408 1 244 . 1 1 25 25 TYR N N 15 119.675 . . 1 . . 346 . X 25 TYR N . 34408 1 245 . 1 1 26 26 PHE H H 1 8.188 0.003 . 1 . . 406 . X 26 PHE H . 34408 1 246 . 1 1 26 26 PHE HA H 1 4.669 0.006 . 1 . . 402 . X 26 PHE HA . 34408 1 247 . 1 1 26 26 PHE HB2 H 1 2.951 0.004 . 1 . . 405 . X 26 PHE HB2 . 34408 1 248 . 1 1 26 26 PHE HB3 H 1 3.106 0.002 . 1 . . 404 . X 26 PHE HB3 . 34408 1 249 . 1 1 26 26 PHE HD1 H 1 7.144 0.006 . 1 . . 403 . X 26 PHE HD1 . 34408 1 250 . 1 1 26 26 PHE HD2 H 1 7.144 0.006 . 1 . . 403 . X 26 PHE HD2 . 34408 1 251 . 1 1 26 26 PHE HE1 H 1 7.180 0.002 . 1 . . 409 . X 26 PHE HE1 . 34408 1 252 . 1 1 26 26 PHE HE2 H 1 7.180 0.002 . 1 . . 409 . X 26 PHE HE2 . 34408 1 253 . 1 1 26 26 PHE HZ H 1 7.143 0.002 . 1 . . 410 . X 26 PHE HZ . 34408 1 254 . 1 1 26 26 PHE CB C 13 40.228 0.004 . 1 . . 574 . X 26 PHE CB . 34408 1 255 . 1 1 26 26 PHE N N 15 118.041 . . 1 . . 414 . X 26 PHE N . 34408 1 256 . 1 1 27 27 ASN H H 1 8.117 0.002 . 1 . . 72 . X 27 ASN H . 34408 1 257 . 1 1 27 27 ASN HA H 1 4.733 0.001 . 1 . . 73 . X 27 ASN HA . 34408 1 258 . 1 1 27 27 ASN HB2 H 1 2.649 0.002 . 1 . . 74 . X 27 ASN HB2 . 34408 1 259 . 1 1 27 27 ASN HB3 H 1 2.745 0.001 . 1 . . 75 . X 27 ASN HB3 . 34408 1 260 . 1 1 27 27 ASN HD21 H 1 6.850 0.001 . 1 . . 76 . X 27 ASN HD21 . 34408 1 261 . 1 1 27 27 ASN HD22 H 1 7.466 0.002 . 1 . . 77 . X 27 ASN HD22 . 34408 1 262 . 1 1 27 27 ASN CA C 13 52.933 . . 1 . . 576 . X 27 ASN CA . 34408 1 263 . 1 1 27 27 ASN CB C 13 39.399 0.039 . 1 . . 570 . X 27 ASN CB . 34408 1 264 . 1 1 27 27 ASN N N 15 119.606 . . 1 . . 329 . X 27 ASN N . 34408 1 265 . 1 1 27 27 ASN ND2 N 15 112.232 . . 1 . . 475 . X 27 ASN ND2 . 34408 1 266 . 1 1 28 28 LYS H H 1 8.110 0.002 . 1 . . 263 . X 28 LYS H . 34408 1 267 . 1 1 28 28 LYS HA H 1 4.474 0.002 . 1 . . 264 . X 28 LYS HA . 34408 1 268 . 1 1 28 28 LYS HB2 H 1 1.759 0.002 . 1 . . 271 . X 28 LYS HB2 . 34408 1 269 . 1 1 28 28 LYS HB3 H 1 1.759 0.002 . 1 . . 272 . X 28 LYS HB3 . 34408 1 270 . 1 1 28 28 LYS HG2 H 1 1.377 0.002 . 1 . . 267 . X 28 LYS HG2 . 34408 1 271 . 1 1 28 28 LYS HG3 H 1 1.377 0.002 . 1 . . 268 . X 28 LYS HG3 . 34408 1 272 . 1 1 28 28 LYS HD2 H 1 1.620 0.002 . 1 . . 269 . X 28 LYS HD2 . 34408 1 273 . 1 1 28 28 LYS HD3 H 1 1.620 0.002 . 1 . . 270 . X 28 LYS HD3 . 34408 1 274 . 1 1 28 28 LYS HE2 H 1 2.936 0.002 . 1 . . 266 . X 28 LYS HE2 . 34408 1 275 . 1 1 28 28 LYS HE3 H 1 2.936 0.002 . 1 . . 265 . X 28 LYS HE3 . 34408 1 276 . 1 1 28 28 LYS CB C 13 32.930 . . 1 . . 625 . X 28 LYS CB . 34408 1 277 . 1 1 28 28 LYS CG C 13 24.661 . . 1 . . 545 . X 28 LYS CG . 34408 1 278 . 1 1 28 28 LYS CD C 13 29.178 . . 1 . . 626 . X 28 LYS CD . 34408 1 279 . 1 1 28 28 LYS CE C 13 41.967 . . 1 . . 555 . X 28 LYS CE . 34408 1 280 . 1 1 28 28 LYS N N 15 122.135 . . 1 . . 369 . X 28 LYS N . 34408 1 281 . 1 1 29 29 PRO HA H 1 4.470 . . 1 . . 464 . X 29 PRO HA . 34408 1 282 . 1 1 29 29 PRO HB2 H 1 1.931 . . 1 . . 460 . X 29 PRO HB2 . 34408 1 283 . 1 1 29 29 PRO HB3 H 1 2.231 0.003 . 1 . . 463 . X 29 PRO HB3 . 34408 1 284 . 1 1 29 29 PRO HG2 H 1 2.000 . . 1 . . 461 . X 29 PRO HG2 . 34408 1 285 . 1 1 29 29 PRO HG3 H 1 2.000 . . 1 . . 462 . X 29 PRO HG3 . 34408 1 286 . 1 1 29 29 PRO HD2 H 1 3.588 0.002 . 1 . . 408 . X 29 PRO HD2 . 34408 1 287 . 1 1 29 29 PRO HD3 H 1 3.739 0.002 . 1 . . 407 . X 29 PRO HD3 . 34408 1 288 . 1 1 29 29 PRO CA C 13 63.355 . . 1 . . 600 . X 29 PRO CA . 34408 1 289 . 1 1 29 29 PRO CB C 13 32.145 0.007 . 1 . . 605 . X 29 PRO CB . 34408 1 290 . 1 1 29 29 PRO CG C 13 27.510 . . 1 . . 611 . X 29 PRO CG . 34408 1 291 . 1 1 29 29 PRO CD C 13 50.666 . . 1 . . 507 . X 29 PRO CD . 34408 1 292 . 1 1 30 30 THR H H 1 8.109 0.001 . 1 . . 280 . X 30 THR H . 34408 1 293 . 1 1 30 30 THR HA H 1 4.310 0.002 . 1 . . 281 . X 30 THR HA . 34408 1 294 . 1 1 30 30 THR HB H 1 4.194 0.0 . 1 . . 282 . X 30 THR HB . 34408 1 295 . 1 1 30 30 THR HG21 H 1 1.193 0.001 . 1 . . 283 . X 30 THR HG21 . 34408 1 296 . 1 1 30 30 THR HG22 H 1 1.193 0.001 . 1 . . 283 . X 30 THR HG22 . 34408 1 297 . 1 1 30 30 THR HG23 H 1 1.193 0.001 . 1 . . 283 . X 30 THR HG23 . 34408 1 298 . 1 1 30 30 THR CA C 13 61.926 . . 1 . . 522 . X 30 THR CA . 34408 1 299 . 1 1 30 30 THR CB C 13 69.954 . . 1 . . 492 . X 30 THR CB . 34408 1 300 . 1 1 30 30 THR CG2 C 13 21.617 . . 1 . . 531 . X 30 THR CG2 . 34408 1 301 . 1 1 30 30 THR N N 15 113.537 . . 1 . . 323 . X 30 THR N . 34408 1 302 . 1 1 31 31 GLY H H 1 8.233 0.002 . 1 . . 50 . X 31 GLY H . 34408 1 303 . 1 1 31 31 GLY HA2 H 1 3.946 0.003 . 1 . . 51 . X 31 GLY HA2 . 34408 1 304 . 1 1 31 31 GLY HA3 H 1 3.888 0.004 . 1 . . 52 . X 31 GLY HA3 . 34408 1 305 . 1 1 31 31 GLY CA C 13 45.329 . . 1 . . 499 . X 31 GLY CA . 34408 1 306 . 1 1 31 31 GLY N N 15 110.335 . . 1 . . 310 . X 31 GLY N . 34408 1 307 . 1 1 32 32 TYR H H 1 8.066 0.001 . 1 . . 104 . X 32 TYR H . 34408 1 308 . 1 1 32 32 TYR HA H 1 4.554 0.001 . 1 . . 105 . X 32 TYR HA . 34408 1 309 . 1 1 32 32 TYR HB2 H 1 3.054 0.001 . 1 . . 106 . X 32 TYR HB2 . 34408 1 310 . 1 1 32 32 TYR HB3 H 1 2.944 0.0 . 1 . . 107 . X 32 TYR HB3 . 34408 1 311 . 1 1 32 32 TYR HD1 H 1 7.096 0.003 . 1 . . 108 . X 32 TYR HD1 . 34408 1 312 . 1 1 32 32 TYR HD2 H 1 7.096 0.003 . 1 . . 108 . X 32 TYR HD2 . 34408 1 313 . 1 1 32 32 TYR HE1 H 1 6.835 0.003 . 1 . . 109 . X 32 TYR HE1 . 34408 1 314 . 1 1 32 32 TYR HE2 H 1 6.835 0.003 . 1 . . 109 . X 32 TYR HE2 . 34408 1 315 . 1 1 32 32 TYR CB C 13 39.046 0.055 . 1 . . 554 . X 32 TYR CB . 34408 1 316 . 1 1 32 32 TYR CD1 C 13 133.365 . . 1 . . 529 . X 32 TYR CD1 . 34408 1 317 . 1 1 32 32 TYR CD2 C 13 133.365 . . 1 . . 529 . X 32 TYR CD2 . 34408 1 318 . 1 1 32 32 TYR CE1 C 13 118.285 . . 1 . . 524 . X 32 TYR CE1 . 34408 1 319 . 1 1 32 32 TYR CE2 C 13 118.285 . . 1 . . 524 . X 32 TYR CE2 . 34408 1 320 . 1 1 32 32 TYR N N 15 120.061 . . 1 . . 328 . X 32 TYR N . 34408 1 321 . 1 1 33 33 GLY H H 1 8.338 0.002 . 1 . . 32 . X 33 GLY H . 34408 1 322 . 1 1 33 33 GLY HA2 H 1 3.882 . . 1 . . 33 . X 33 GLY HA2 . 34408 1 323 . 1 1 33 33 GLY HA3 H 1 3.967 . . 1 . . 34 . X 33 GLY HA3 . 34408 1 324 . 1 1 33 33 GLY CA C 13 45.329 . . 1 . . 500 . X 33 GLY CA . 34408 1 325 . 1 1 33 33 GLY N N 15 110.864 . . 1 . . 311 . X 33 GLY N . 34408 1 326 . 1 1 34 34 SER H H 1 8.181 0.002 . 1 . . 61 . X 34 SER H . 34408 1 327 . 1 1 34 34 SER HA H 1 4.467 0.001 . 1 . . 62 . X 34 SER HA . 34408 1 328 . 1 1 34 34 SER HB2 H 1 3.933 . . 1 . . 63 . X 34 SER HB2 . 34408 1 329 . 1 1 34 34 SER HB3 H 1 3.861 . . 1 . . 64 . X 34 SER HB3 . 34408 1 330 . 1 1 34 34 SER CA C 13 58.502 . . 1 . . 578 . X 34 SER CA . 34408 1 331 . 1 1 34 34 SER CB C 13 63.802 . . 1 . . 510 . X 34 SER CB . 34408 1 332 . 1 1 34 34 SER N N 15 115.694 . . 1 . . 325 . X 34 SER N . 34408 1 333 . 1 1 35 35 SER H H 1 8.344 0.001 . 1 . . 35 . X 35 SER H . 34408 1 334 . 1 1 35 35 SER HA H 1 4.493 0.001 . 1 . . 36 . X 35 SER HA . 34408 1 335 . 1 1 35 35 SER HB2 H 1 3.889 . . 1 . . 37 . X 35 SER HB2 . 34408 1 336 . 1 1 35 35 SER HB3 H 1 3.976 0.001 . 1 . . 38 . X 35 SER HB3 . 34408 1 337 . 1 1 35 35 SER CA C 13 58.517 . . 1 . . 577 . X 35 SER CA . 34408 1 338 . 1 1 35 35 SER CB C 13 63.783 . . 1 . . 509 . X 35 SER CB . 34408 1 339 . 1 1 35 35 SER N N 15 117.252 . . 1 . . 326 . X 35 SER N . 34408 1 340 . 1 1 36 36 SER H H 1 8.161 0.002 . 1 . . 65 . X 36 SER H . 34408 1 341 . 1 1 36 36 SER HA H 1 4.436 0.0 . 1 . . 66 . X 36 SER HA . 34408 1 342 . 1 1 36 36 SER HB2 H 1 3.894 . . 1 . . 67 . X 36 SER HB2 . 34408 1 343 . 1 1 36 36 SER HB3 H 1 3.851 . . 1 . . 68 . X 36 SER HB3 . 34408 1 344 . 1 1 36 36 SER CA C 13 58.385 . . 1 . . 579 . X 36 SER CA . 34408 1 345 . 1 1 36 36 SER CB C 13 63.809 . . 1 . . 511 . X 36 SER CB . 34408 1 346 . 1 1 36 36 SER N N 15 117.068 . . 1 . . 338 . X 36 SER N . 34408 1 347 . 1 1 37 37 ARG H H 1 8.131 0.003 . 1 . . 372 . X 37 ARG H . 34408 1 348 . 1 1 37 37 ARG HA H 1 4.326 . . 1 . . 391 . X 37 ARG HA . 34408 1 349 . 1 1 37 37 ARG HB2 H 1 1.864 . . 1 . . 437 . X 37 ARG HB2 . 34408 1 350 . 1 1 37 37 ARG HB3 H 1 1.737 . . 1 . . 440 . X 37 ARG HB3 . 34408 1 351 . 1 1 37 37 ARG HG2 H 1 1.598 . . 1 . . 446 . X 37 ARG HG2 . 34408 1 352 . 1 1 37 37 ARG HG3 H 1 1.598 . . 1 . . 447 . X 37 ARG HG3 . 34408 1 353 . 1 1 37 37 ARG HD2 H 1 3.171 . . 1 . . 445 . X 37 ARG HD2 . 34408 1 354 . 1 1 37 37 ARG HD3 H 1 3.171 . . 1 . . 444 . X 37 ARG HD3 . 34408 1 355 . 1 1 37 37 ARG HE H 1 7.134 0.002 . 1 . . 436 . X 37 ARG HE . 34408 1 356 . 1 1 37 37 ARG CA C 13 55.926 . . 1 . . 593 . X 37 ARG CA . 34408 1 357 . 1 1 37 37 ARG CB C 13 30.680 0.006 . 1 . . 638 . X 37 ARG CB . 34408 1 358 . 1 1 37 37 ARG CG C 13 27.133 . . 1 . . 641 . X 37 ARG CG . 34408 1 359 . 1 1 37 37 ARG CD C 13 43.331 . . 1 . . 558 . X 37 ARG CD . 34408 1 360 . 1 1 37 37 ARG N N 15 122.135 . . 1 . . 373 . X 37 ARG N . 34408 1 361 . 1 1 37 37 ARG NE N 15 84.851 . . 1 . . 470 . X 37 ARG NE . 34408 1 362 . 1 1 38 38 ARG H H 1 8.126 0.001 . 1 . . 370 . X 38 ARG H . 34408 1 363 . 1 1 38 38 ARG HA H 1 4.326 . . 1 . . 392 . X 38 ARG HA . 34408 1 364 . 1 1 38 38 ARG HB2 H 1 1.817 . . 1 . . 439 . X 38 ARG HB2 . 34408 1 365 . 1 1 38 38 ARG HB3 H 1 1.709 . . 1 . . 441 . X 38 ARG HB3 . 34408 1 366 . 1 1 38 38 ARG HG2 H 1 1.598 . . 1 . . 449 . X 38 ARG HG2 . 34408 1 367 . 1 1 38 38 ARG HG3 H 1 1.598 . . 1 . . 448 . X 38 ARG HG3 . 34408 1 368 . 1 1 38 38 ARG HD2 H 1 3.150 . . 1 . . 443 . X 38 ARG HD2 . 34408 1 369 . 1 1 38 38 ARG HD3 H 1 3.150 . . 1 . . 442 . X 38 ARG HD3 . 34408 1 370 . 1 1 38 38 ARG HE H 1 7.129 0.002 . 1 . . 438 . X 38 ARG HE . 34408 1 371 . 1 1 38 38 ARG CA C 13 55.926 . . 1 . . 594 . X 38 ARG CA . 34408 1 372 . 1 1 38 38 ARG CB C 13 30.969 0.006 . 1 . . 639 . X 38 ARG CB . 34408 1 373 . 1 1 38 38 ARG CG C 13 27.133 . . 1 . . 640 . X 38 ARG CG . 34408 1 374 . 1 1 38 38 ARG CD C 13 43.319 . . 1 . . 559 . X 38 ARG CD . 34408 1 375 . 1 1 38 38 ARG N N 15 121.288 . . 1 . . 371 . X 38 ARG N . 34408 1 376 . 1 1 38 38 ARG NE N 15 84.851 . . 1 . . 471 . X 38 ARG NE . 34408 1 377 . 1 1 39 39 ALA H H 1 8.129 0.001 . 1 . . 69 . X 39 ALA H . 34408 1 378 . 1 1 39 39 ALA HA H 1 4.570 0.001 . 1 . . 70 . X 39 ALA HA . 34408 1 379 . 1 1 39 39 ALA HB1 H 1 1.344 0.001 . 1 . . 71 . X 39 ALA HB1 . 34408 1 380 . 1 1 39 39 ALA HB2 H 1 1.344 0.001 . 1 . . 71 . X 39 ALA HB2 . 34408 1 381 . 1 1 39 39 ALA HB3 H 1 1.344 0.001 . 1 . . 71 . X 39 ALA HB3 . 34408 1 382 . 1 1 39 39 ALA CA C 13 50.514 . . 1 . . 515 . X 39 ALA CA . 34408 1 383 . 1 1 39 39 ALA CB C 13 18.373 . . 1 . . 476 . X 39 ALA CB . 34408 1 384 . 1 1 39 39 ALA N N 15 126.002 . . 1 . . 316 . X 39 ALA N . 34408 1 385 . 1 1 40 40 PRO HA H 1 4.411 . . 1 . . 388 . X 40 PRO HA . 34408 1 386 . 1 1 40 40 PRO HB2 H 1 1.888 . . 1 . . 387 . X 40 PRO HB2 . 34408 1 387 . 1 1 40 40 PRO HB3 H 1 2.251 . . 1 . . 384 . X 40 PRO HB3 . 34408 1 388 . 1 1 40 40 PRO HG2 H 1 1.888 . . 1 . . 386 . X 40 PRO HG2 . 34408 1 389 . 1 1 40 40 PRO HG3 H 1 1.888 . . 1 . . 385 . X 40 PRO HG3 . 34408 1 390 . 1 1 40 40 PRO HD2 H 1 3.618 0.008 . 1 . . 399 . X 40 PRO HD2 . 34408 1 391 . 1 1 40 40 PRO HD3 H 1 3.738 0.001 . 1 . . 411 . X 40 PRO HD3 . 34408 1 392 . 1 1 40 40 PRO CA C 13 63.350 . . 1 . . 598 . X 40 PRO CA . 34408 1 393 . 1 1 40 40 PRO CB C 13 32.132 . . 1 . . 609 . X 40 PRO CB . 34408 1 394 . 1 1 40 40 PRO CG C 13 27.501 . . 1 . . 612 . X 40 PRO CG . 34408 1 395 . 1 1 40 40 PRO CD C 13 50.622 . . 1 . . 505 . X 40 PRO CD . 34408 1 396 . 1 1 41 41 GLN H H 1 8.421 0.002 . 1 . . 25 . X 41 GLN H . 34408 1 397 . 1 1 41 41 GLN HA H 1 4.373 0.003 . 1 . . 26 . X 41 GLN HA . 34408 1 398 . 1 1 41 41 GLN HB2 H 1 1.992 0.001 . 1 . . 412 . X 41 GLN HB2 . 34408 1 399 . 1 1 41 41 GLN HB3 H 1 2.133 0.0 . 1 . . 29 . X 41 GLN HB3 . 34408 1 400 . 1 1 41 41 GLN HG2 H 1 2.372 0.002 . 1 . . 27 . X 41 GLN HG2 . 34408 1 401 . 1 1 41 41 GLN HG3 H 1 2.372 0.002 . 1 . . 28 . X 41 GLN HG3 . 34408 1 402 . 1 1 41 41 GLN HE21 H 1 7.441 0.0 . 1 . . 31 . X 41 GLN HE21 . 34408 1 403 . 1 1 41 41 GLN HE22 H 1 6.788 0.005 . 1 . . 30 . X 41 GLN HE22 . 34408 1 404 . 1 1 41 41 GLN CA C 13 56.064 . . 1 . . 591 . X 41 GLN CA . 34408 1 405 . 1 1 41 41 GLN CB C 13 29.547 0.013 . 1 . . 617 . X 41 GLN CB . 34408 1 406 . 1 1 41 41 GLN CG C 13 33.969 . . 1 . . 549 . X 41 GLN CG . 34408 1 407 . 1 1 41 41 GLN N N 15 119.905 . . 1 . . 332 . X 41 GLN N . 34408 1 408 . 1 1 41 41 GLN NE2 N 15 111.953 . . 1 . . 474 . X 41 GLN NE2 . 34408 1 409 . 1 1 42 42 THR H H 1 8.029 0.002 . 1 . . 110 . X 42 THR H . 34408 1 410 . 1 1 42 42 THR HA H 1 4.345 0.001 . 1 . . 111 . X 42 THR HA . 34408 1 411 . 1 1 42 42 THR HB H 1 4.244 0.002 . 1 . . 112 . X 42 THR HB . 34408 1 412 . 1 1 42 42 THR HG21 H 1 1.209 0.003 . 1 . . 113 . X 42 THR HG21 . 34408 1 413 . 1 1 42 42 THR HG22 H 1 1.209 0.003 . 1 . . 113 . X 42 THR HG22 . 34408 1 414 . 1 1 42 42 THR HG23 H 1 1.209 0.003 . 1 . . 113 . X 42 THR HG23 . 34408 1 415 . 1 1 42 42 THR CA C 13 62.104 . . 1 . . 523 . X 42 THR CA . 34408 1 416 . 1 1 42 42 THR CB C 13 70.058 . . 1 . . 493 . X 42 THR CB . 34408 1 417 . 1 1 42 42 THR CG2 C 13 21.617 . . 1 . . 532 . X 42 THR CG2 . 34408 1 418 . 1 1 42 42 THR N N 15 114.071 . . 1 . . 315 . X 42 THR N . 34408 1 419 . 1 1 43 43 GLY H H 1 8.447 0.004 . 1 . . 212 . X 43 GLY H . 34408 1 420 . 1 1 43 43 GLY HA2 H 1 4.058 0.001 . 1 . . 213 . X 43 GLY HA2 . 34408 1 421 . 1 1 43 43 GLY HA3 H 1 4.082 . . 1 . . 214 . X 43 GLY HA3 . 34408 1 422 . 1 1 43 43 GLY CA C 13 45.721 0.001 . 1 . . 496 . X 43 GLY CA . 34408 1 423 . 1 1 43 43 GLY N N 15 110.828 . . 1 . . 313 . X 43 GLY N . 34408 1 424 . 1 1 44 44 ILE H H 1 7.855 0.001 . 1 . . 143 . X 44 ILE H . 34408 1 425 . 1 1 44 44 ILE HA H 1 4.000 0.004 . 1 . . 145 . X 44 ILE HA . 34408 1 426 . 1 1 44 44 ILE HB H 1 1.522 0.004 . 1 . . 149 . X 44 ILE HB . 34408 1 427 . 1 1 44 44 ILE HG12 H 1 1.279 0.004 . 1 . . 148 . X 44 ILE HG12 . 34408 1 428 . 1 1 44 44 ILE HG13 H 1 0.999 0.005 . 1 . . 147 . X 44 ILE HG13 . 34408 1 429 . 1 1 44 44 ILE HG21 H 1 0.763 0.007 . 1 . . 144 . X 44 ILE HG21 . 34408 1 430 . 1 1 44 44 ILE HG22 H 1 0.763 0.007 . 1 . . 144 . X 44 ILE HG22 . 34408 1 431 . 1 1 44 44 ILE HG23 H 1 0.763 0.007 . 1 . . 144 . X 44 ILE HG23 . 34408 1 432 . 1 1 44 44 ILE HD11 H 1 0.699 0.002 . 1 . . 146 . X 44 ILE HD11 . 34408 1 433 . 1 1 44 44 ILE HD12 H 1 0.699 0.002 . 1 . . 146 . X 44 ILE HD12 . 34408 1 434 . 1 1 44 44 ILE HD13 H 1 0.699 0.002 . 1 . . 146 . X 44 ILE HD13 . 34408 1 435 . 1 1 44 44 ILE CA C 13 62.247 . . 1 . . 490 . X 44 ILE CA . 34408 1 436 . 1 1 44 44 ILE CB C 13 38.224 . . 1 . . 416 . X 44 ILE CB . 34408 1 437 . 1 1 44 44 ILE CG1 C 13 28.153 0.025 . 1 . . 421 . X 44 ILE CG1 . 34408 1 438 . 1 1 44 44 ILE CG2 C 13 17.832 . . 1 . . 423 . X 44 ILE CG2 . 34408 1 439 . 1 1 44 44 ILE CD1 C 13 13.837 . . 1 . . 422 . X 44 ILE CD1 . 34408 1 440 . 1 1 44 44 ILE N N 15 120.240 . . 1 . . 320 . X 44 ILE N . 34408 1 441 . 1 1 45 45 VAL H H 1 7.894 0.002 . 1 . . 134 . X 45 VAL H . 34408 1 442 . 1 1 45 45 VAL HA H 1 3.732 0.002 . 1 . . 135 . X 45 VAL HA . 34408 1 443 . 1 1 45 45 VAL HB H 1 1.979 0.003 . 1 . . 136 . X 45 VAL HB . 34408 1 444 . 1 1 45 45 VAL HG11 H 1 0.790 0.007 . 1 . . 137 . X 45 VAL HG11 . 34408 1 445 . 1 1 45 45 VAL HG12 H 1 0.790 0.007 . 1 . . 137 . X 45 VAL HG12 . 34408 1 446 . 1 1 45 45 VAL HG13 H 1 0.790 0.007 . 1 . . 137 . X 45 VAL HG13 . 34408 1 447 . 1 1 45 45 VAL HG21 H 1 0.862 0.001 . 1 . . 138 . X 45 VAL HG21 . 34408 1 448 . 1 1 45 45 VAL HG22 H 1 0.862 0.001 . 1 . . 138 . X 45 VAL HG22 . 34408 1 449 . 1 1 45 45 VAL HG23 H 1 0.862 0.001 . 1 . . 138 . X 45 VAL HG23 . 34408 1 450 . 1 1 45 45 VAL CA C 13 65.002 . . 1 . . 484 . X 45 VAL CA . 34408 1 451 . 1 1 45 45 VAL CB C 13 32.080 . . 1 . . 622 . X 45 VAL CB . 34408 1 452 . 1 1 45 45 VAL CG1 C 13 21.393 . . 1 . . 483 . X 45 VAL CG1 . 34408 1 453 . 1 1 45 45 VAL CG2 C 13 21.782 . . 1 . . 536 . X 45 VAL CG2 . 34408 1 454 . 1 1 45 45 VAL N N 15 122.067 . . 1 . . 319 . X 45 VAL N . 34408 1 455 . 1 1 46 46 ASP H H 1 7.975 0.006 . 1 . . 124 . X 46 ASP H . 34408 1 456 . 1 1 46 46 ASP HA H 1 4.511 0.001 . 1 . . 127 . X 46 ASP HA . 34408 1 457 . 1 1 46 46 ASP HB2 H 1 2.783 0.002 . 1 . . 126 . X 46 ASP HB2 . 34408 1 458 . 1 1 46 46 ASP HB3 H 1 2.784 0.002 . 1 . . 125 . X 46 ASP HB3 . 34408 1 459 . 1 1 46 46 ASP CA C 13 55.570 . . 1 . . 589 . X 46 ASP CA . 34408 1 460 . 1 1 46 46 ASP CB C 13 40.248 . . 1 . . 572 . X 46 ASP CB . 34408 1 461 . 1 1 46 46 ASP N N 15 120.608 . . 1 . . 355 . X 46 ASP N . 34408 1 462 . 1 1 47 47 GLU H H 1 7.986 0.003 . 1 . . 118 . X 47 GLU H . 34408 1 463 . 1 1 47 47 GLU HA H 1 4.162 0.001 . 1 . . 119 . X 47 GLU HA . 34408 1 464 . 1 1 47 47 GLU HB2 H 1 2.081 0.004 . 1 . . 122 . X 47 GLU HB2 . 34408 1 465 . 1 1 47 47 GLU HB3 H 1 2.080 0.003 . 1 . . 123 . X 47 GLU HB3 . 34408 1 466 . 1 1 47 47 GLU HG2 H 1 2.445 0.003 . 1 . . 120 . X 47 GLU HG2 . 34408 1 467 . 1 1 47 47 GLU HG3 H 1 2.445 0.002 . 1 . . 121 . X 47 GLU HG3 . 34408 1 468 . 1 1 47 47 GLU CA C 13 58.196 . . 1 . . 585 . X 47 GLU CA . 34408 1 469 . 1 1 47 47 GLU CB C 13 29.744 . . 1 . . 618 . X 47 GLU CB . 34408 1 470 . 1 1 47 47 GLU CG C 13 33.960 . . 1 . . 552 . X 47 GLU CG . 34408 1 471 . 1 1 47 47 GLU N N 15 118.501 . . 1 . . 356 . X 47 GLU N . 34408 1 472 . 1 1 48 48 CYS H H 1 8.225 0.002 . 1 . . 53 . X 48 CYS H . 34408 1 473 . 1 1 48 48 CYS HA H 1 4.809 0.005 . 1 . . 54 . X 48 CYS HA . 34408 1 474 . 1 1 48 48 CYS HB2 H 1 3.242 0.008 . 1 . . 56 . X 48 CYS HB2 . 34408 1 475 . 1 1 48 48 CYS HB3 H 1 2.995 0.003 . 1 . . 55 . X 48 CYS HB3 . 34408 1 476 . 1 1 48 48 CYS CA C 13 56.763 . . 1 . . 488 . X 48 CYS CA . 34408 1 477 . 1 1 48 48 CYS N N 15 114.344 . . 1 . . 348 . X 48 CYS N . 34408 1 478 . 1 1 49 49 CYS H H 1 7.984 0.005 . 1 . . 284 . X 49 CYS H . 34408 1 479 . 1 1 49 49 CYS HA H 1 4.551 0.005 . 1 . . 285 . X 49 CYS HA . 34408 1 480 . 1 1 49 49 CYS HB2 H 1 3.194 . . 1 . . 286 . X 49 CYS HB2 . 34408 1 481 . 1 1 49 49 CYS HB3 H 1 2.765 0.009 . 1 . . 287 . X 49 CYS HB3 . 34408 1 482 . 1 1 49 49 CYS N N 15 116.851 . . 1 . . 354 . X 49 CYS N . 34408 1 483 . 1 1 50 50 PHE H H 1 7.842 0.004 . 1 . . 150 . X 50 PHE H . 34408 1 484 . 1 1 50 50 PHE HA H 1 4.671 0.001 . 1 . . 151 . X 50 PHE HA . 34408 1 485 . 1 1 50 50 PHE HB2 H 1 3.061 0.002 . 1 . . 152 . X 50 PHE HB2 . 34408 1 486 . 1 1 50 50 PHE HB3 H 1 3.357 0.005 . 1 . . 153 . X 50 PHE HB3 . 34408 1 487 . 1 1 50 50 PHE HD1 H 1 7.266 0.001 . 1 . . 154 . X 50 PHE HD1 . 34408 1 488 . 1 1 50 50 PHE HD2 H 1 7.266 0.001 . 1 . . 154 . X 50 PHE HD2 . 34408 1 489 . 1 1 50 50 PHE HE1 H 1 7.318 0.003 . 1 . . 155 . X 50 PHE HE1 . 34408 1 490 . 1 1 50 50 PHE HE2 H 1 7.318 0.003 . 1 . . 155 . X 50 PHE HE2 . 34408 1 491 . 1 1 50 50 PHE CB C 13 39.234 . . 1 . . 553 . X 50 PHE CB . 34408 1 492 . 1 1 50 50 PHE N N 15 116.682 . . 1 . . 352 . X 50 PHE N . 34408 1 493 . 1 1 51 51 ARG H H 1 7.781 0.003 . 1 . . 159 . X 51 ARG H . 34408 1 494 . 1 1 51 51 ARG HA H 1 4.443 0.001 . 1 . . 160 . X 51 ARG HA . 34408 1 495 . 1 1 51 51 ARG HB2 H 1 1.936 0.003 . 1 . . 164 . X 51 ARG HB2 . 34408 1 496 . 1 1 51 51 ARG HB3 H 1 1.838 0.002 . 1 . . 165 . X 51 ARG HB3 . 34408 1 497 . 1 1 51 51 ARG HG2 H 1 1.624 0.003 . 1 . . 166 . X 51 ARG HG2 . 34408 1 498 . 1 1 51 51 ARG HG3 H 1 1.625 0.003 . 1 . . 167 . X 51 ARG HG3 . 34408 1 499 . 1 1 51 51 ARG HD2 H 1 3.218 0.0 . 1 . . 162 . X 51 ARG HD2 . 34408 1 500 . 1 1 51 51 ARG HD3 H 1 3.218 0.0 . 1 . . 163 . X 51 ARG HD3 . 34408 1 501 . 1 1 51 51 ARG HE H 1 7.206 0.002 . 1 . . 161 . X 51 ARG HE . 34408 1 502 . 1 1 51 51 ARG CG C 13 27.147 . . 1 . . 642 . X 51 ARG CG . 34408 1 503 . 1 1 51 51 ARG CD C 13 43.384 . . 1 . . 562 . X 51 ARG CD . 34408 1 504 . 1 1 51 51 ARG N N 15 118.575 . . 1 . . 357 . X 51 ARG N . 34408 1 505 . 1 1 51 51 ARG NE N 15 85.207 . . 1 . . 467 . X 51 ARG NE . 34408 1 506 . 1 1 52 52 SER H H 1 7.883 0.002 . 1 . . 139 . X 52 SER H . 34408 1 507 . 1 1 52 52 SER HA H 1 4.474 0.001 . 1 . . 140 . X 52 SER HA . 34408 1 508 . 1 1 52 52 SER HB2 H 1 3.803 0.003 . 1 . . 141 . X 52 SER HB2 . 34408 1 509 . 1 1 52 52 SER HB3 H 1 3.803 0.003 . 1 . . 142 . X 52 SER HB3 . 34408 1 510 . 1 1 52 52 SER CA C 13 58.512 . . 1 . . 580 . X 52 SER CA . 34408 1 511 . 1 1 52 52 SER CB C 13 63.701 . . 1 . . 508 . X 52 SER CB . 34408 1 512 . 1 1 52 52 SER N N 15 112.777 . . 1 . . 314 . X 52 SER N . 34408 1 513 . 1 1 53 53 CYS H H 1 8.829 0.005 . 1 . . 1 . X 53 CYS H . 34408 1 514 . 1 1 53 53 CYS HA H 1 4.834 0.008 . 1 . . 2 . X 53 CYS HA . 34408 1 515 . 1 1 53 53 CYS HB2 H 1 3.169 0.001 . 1 . . 3 . X 53 CYS HB2 . 34408 1 516 . 1 1 53 53 CYS HB3 H 1 3.265 . . 1 . . 4 . X 53 CYS HB3 . 34408 1 517 . 1 1 53 53 CYS CA C 13 54.062 . . 1 . . 487 . X 53 CYS CA . 34408 1 518 . 1 1 53 53 CYS N N 15 121.201 . . 1 . . 363 . X 53 CYS N . 34408 1 519 . 1 1 54 54 ASP H H 1 8.281 0.002 . 1 . . 42 . X 54 ASP H . 34408 1 520 . 1 1 54 54 ASP HA H 1 4.685 0.003 . 1 . . 43 . X 54 ASP HA . 34408 1 521 . 1 1 54 54 ASP HB2 H 1 2.752 0.002 . 1 . . 44 . X 54 ASP HB2 . 34408 1 522 . 1 1 54 54 ASP HB3 H 1 2.815 0.002 . 1 . . 45 . X 54 ASP HB3 . 34408 1 523 . 1 1 54 54 ASP CA C 13 55.131 . . 1 . . 520 . X 54 ASP CA . 34408 1 524 . 1 1 54 54 ASP N N 15 121.772 . . 1 . . 349 . X 54 ASP N . 34408 1 525 . 1 1 55 55 LEU H H 1 8.416 0.002 . 1 . . 223 . X 55 LEU H . 34408 1 526 . 1 1 55 55 LEU HA H 1 4.017 0.003 . 1 . . 224 . X 55 LEU HA . 34408 1 527 . 1 1 55 55 LEU HB2 H 1 1.731 0.007 . 1 . . 228 . X 55 LEU HB2 . 34408 1 528 . 1 1 55 55 LEU HB3 H 1 1.613 0.002 . 1 . . 648 . X 55 LEU HB3 . 34408 1 529 . 1 1 55 55 LEU HG H 1 1.613 0.002 . 1 . . 229 . X 55 LEU HG . 34408 1 530 . 1 1 55 55 LEU HD11 H 1 0.935 0.002 . 1 . . 226 . X 55 LEU HD11 . 34408 1 531 . 1 1 55 55 LEU HD12 H 1 0.935 0.002 . 1 . . 226 . X 55 LEU HD12 . 34408 1 532 . 1 1 55 55 LEU HD13 H 1 0.935 0.002 . 1 . . 226 . X 55 LEU HD13 . 34408 1 533 . 1 1 55 55 LEU HD21 H 1 0.854 0.003 . 1 . . 225 . X 55 LEU HD21 . 34408 1 534 . 1 1 55 55 LEU HD22 H 1 0.854 0.003 . 1 . . 225 . X 55 LEU HD22 . 34408 1 535 . 1 1 55 55 LEU HD23 H 1 0.854 0.003 . 1 . . 225 . X 55 LEU HD23 . 34408 1 536 . 1 1 55 55 LEU CA C 13 57.468 . . 1 . . 513 . X 55 LEU CA . 34408 1 537 . 1 1 55 55 LEU CB C 13 41.610 0.027 . 1 . . 643 . X 55 LEU CB . 34408 1 538 . 1 1 55 55 LEU CD1 C 13 25.293 . . 1 . . 537 . X 55 LEU CD1 . 34408 1 539 . 1 1 55 55 LEU CD2 C 13 23.834 . . 1 . . 538 . X 55 LEU CD2 . 34408 1 540 . 1 1 55 55 LEU N N 15 124.699 . . 1 . . 344 . X 55 LEU N . 34408 1 541 . 1 1 56 56 ARG H H 1 8.134 0.002 . 1 . . 413 . X 56 ARG H . 34408 1 542 . 1 1 56 56 ARG HA H 1 4.119 0.002 . 1 . . 428 . X 56 ARG HA . 34408 1 543 . 1 1 56 56 ARG HB2 H 1 2.060 . . 1 . . 435 . X 56 ARG HB2 . 34408 1 544 . 1 1 56 56 ARG HB3 H 1 1.887 0.001 . 1 . . 433 . X 56 ARG HB3 . 34408 1 545 . 1 1 56 56 ARG HG2 H 1 1.733 . . 1 . . 431 . X 56 ARG HG2 . 34408 1 546 . 1 1 56 56 ARG HG3 H 1 1.700 . . 1 . . 432 . X 56 ARG HG3 . 34408 1 547 . 1 1 56 56 ARG HD2 H 1 3.234 0.005 . 1 . . 430 . X 56 ARG HD2 . 34408 1 548 . 1 1 56 56 ARG HD3 H 1 3.234 0.005 . 1 . . 429 . X 56 ARG HD3 . 34408 1 549 . 1 1 56 56 ARG HE H 1 7.488 . . 1 . . 434 . X 56 ARG HE . 34408 1 550 . 1 1 56 56 ARG CA C 13 58.312 . . 1 . . 582 . X 56 ARG CA . 34408 1 551 . 1 1 56 56 ARG CB C 13 29.977 . . 1 . . 633 . X 56 ARG CB . 34408 1 552 . 1 1 56 56 ARG CG C 13 27.282 . . 1 . . 637 . X 56 ARG CG . 34408 1 553 . 1 1 56 56 ARG CD C 13 43.244 . . 1 . . 563 . X 56 ARG CD . 34408 1 554 . 1 1 56 56 ARG N N 15 117.075 . . 1 . . 472 . X 56 ARG N . 34408 1 555 . 1 1 56 56 ARG NE N 15 84.963 . . 1 . . 468 . X 56 ARG NE . 34408 1 556 . 1 1 57 57 ARG H H 1 7.810 0.003 . 1 . . 168 . X 57 ARG H . 34408 1 557 . 1 1 57 57 ARG HA H 1 4.338 0.003 . 1 . . 169 . X 57 ARG HA . 34408 1 558 . 1 1 57 57 ARG HB2 H 1 2.058 0.001 . 1 . . 171 . X 57 ARG HB2 . 34408 1 559 . 1 1 57 57 ARG HB3 H 1 1.881 0.008 . 1 . . 172 . X 57 ARG HB3 . 34408 1 560 . 1 1 57 57 ARG HG2 H 1 1.709 0.005 . 1 . . 173 . X 57 ARG HG2 . 34408 1 561 . 1 1 57 57 ARG HG3 H 1 1.709 0.005 . 1 . . 174 . X 57 ARG HG3 . 34408 1 562 . 1 1 57 57 ARG HD2 H 1 3.257 0.002 . 1 . . 175 . X 57 ARG HD2 . 34408 1 563 . 1 1 57 57 ARG HD3 H 1 3.257 0.002 . 1 . . 176 . X 57 ARG HD3 . 34408 1 564 . 1 1 57 57 ARG HE H 1 7.485 0.002 . 1 . . 170 . X 57 ARG HE . 34408 1 565 . 1 1 57 57 ARG CA C 13 56.105 . . 1 . . 595 . X 57 ARG CA . 34408 1 566 . 1 1 57 57 ARG CB C 13 29.977 . . 1 . . 634 . X 57 ARG CB . 34408 1 567 . 1 1 57 57 ARG CG C 13 27.233 . . 1 . . 636 . X 57 ARG CG . 34408 1 568 . 1 1 57 57 ARG CD C 13 43.088 . . 1 . . 560 . X 57 ARG CD . 34408 1 569 . 1 1 57 57 ARG N N 15 118.053 . . 1 . . 359 . X 57 ARG N . 34408 1 570 . 1 1 57 57 ARG NE N 15 84.824 . . 1 . . 469 . X 57 ARG NE . 34408 1 571 . 1 1 58 58 LEU H H 1 7.795 0.005 . 1 . . 237 . X 58 LEU H . 34408 1 572 . 1 1 58 58 LEU HA H 1 4.201 0.002 . 1 . . 238 . X 58 LEU HA . 34408 1 573 . 1 1 58 58 LEU HB2 H 1 1.788 0.003 . 1 . . 241 . X 58 LEU HB2 . 34408 1 574 . 1 1 58 58 LEU HB3 H 1 1.864 0.004 . 1 . . 242 . X 58 LEU HB3 . 34408 1 575 . 1 1 58 58 LEU HG H 1 1.553 0.004 . 1 . . 645 . X 58 LEU HG . 34408 1 576 . 1 1 58 58 LEU HD11 H 1 0.801 0.002 . 1 . . 239 . X 58 LEU HD11 . 34408 1 577 . 1 1 58 58 LEU HD12 H 1 0.801 0.002 . 1 . . 239 . X 58 LEU HD12 . 34408 1 578 . 1 1 58 58 LEU HD13 H 1 0.801 0.002 . 1 . . 239 . X 58 LEU HD13 . 34408 1 579 . 1 1 58 58 LEU HD21 H 1 0.843 0.005 . 1 . . 240 . X 58 LEU HD21 . 34408 1 580 . 1 1 58 58 LEU HD22 H 1 0.843 0.005 . 1 . . 240 . X 58 LEU HD22 . 34408 1 581 . 1 1 58 58 LEU HD23 H 1 0.843 0.005 . 1 . . 240 . X 58 LEU HD23 . 34408 1 582 . 1 1 58 58 LEU CA C 13 57.378 . . 1 . . 586 . X 58 LEU CA . 34408 1 583 . 1 1 58 58 LEU CB C 13 41.899 0.005 . 1 . . 418 . X 58 LEU CB . 34408 1 584 . 1 1 58 58 LEU CG C 13 27.253 . . 1 . . 646 . X 58 LEU CG . 34408 1 585 . 1 1 58 58 LEU CD1 C 13 23.947 . . 1 . . 543 . X 58 LEU CD1 . 34408 1 586 . 1 1 58 58 LEU CD2 C 13 25.825 . . 1 . . 541 . X 58 LEU CD2 . 34408 1 587 . 1 1 58 58 LEU N N 15 119.176 . . 1 . . 358 . X 58 LEU N . 34408 1 588 . 1 1 59 59 ASP H H 1 8.046 0.003 . 1 . . 276 . X 59 ASP H . 34408 1 589 . 1 1 59 59 ASP HA H 1 4.557 0.001 . 1 . . 279 . X 59 ASP HA . 34408 1 590 . 1 1 59 59 ASP HB2 H 1 2.716 0.003 . 1 . . 277 . X 59 ASP HB2 . 34408 1 591 . 1 1 59 59 ASP HB3 H 1 2.845 0.004 . 1 . . 278 . X 59 ASP HB3 . 34408 1 592 . 1 1 59 59 ASP CB C 13 38.758 . . 1 . . 569 . X 59 ASP CB . 34408 1 593 . 1 1 59 59 ASP N N 15 115.182 . . 1 . . 361 . X 59 ASP N . 34408 1 594 . 1 1 60 60 MET H H 1 7.666 0.003 . 1 . . 186 . X 60 MET H . 34408 1 595 . 1 1 60 60 MET HA H 1 4.241 0.001 . 1 . . 187 . X 60 MET HA . 34408 1 596 . 1 1 60 60 MET HB2 H 1 1.944 0.008 . 1 . . 191 . X 60 MET HB2 . 34408 1 597 . 1 1 60 60 MET HB3 H 1 1.887 0.002 . 1 . . 190 . X 60 MET HB3 . 34408 1 598 . 1 1 60 60 MET HG2 H 1 2.240 0.002 . 1 . . 188 . X 60 MET HG2 . 34408 1 599 . 1 1 60 60 MET HG3 H 1 2.399 . . 1 . . 189 . X 60 MET HG3 . 34408 1 600 . 1 1 60 60 MET HE1 H 1 2.000 . . 1 . . 548 . X 60 MET HE1 . 34408 1 601 . 1 1 60 60 MET HE2 H 1 2.000 . . 1 . . 548 . X 60 MET HE2 . 34408 1 602 . 1 1 60 60 MET HE3 H 1 2.000 . . 1 . . 548 . X 60 MET HE3 . 34408 1 603 . 1 1 60 60 MET CA C 13 57.310 . . 1 . . 588 . X 60 MET CA . 34408 1 604 . 1 1 60 60 MET CB C 13 32.149 . . 1 . . 603 . X 60 MET CB . 34408 1 605 . 1 1 60 60 MET CG C 13 31.707 0.001 . 1 . . 602 . X 60 MET CG . 34408 1 606 . 1 1 60 60 MET CE C 13 16.956 . . 1 . . 601 . X 60 MET CE . 34408 1 607 . 1 1 60 60 MET N N 15 117.737 . . 1 . . 336 . X 60 MET N . 34408 1 608 . 1 1 61 61 TYR H H 1 7.934 0.004 . 1 . . 128 . X 61 TYR H . 34408 1 609 . 1 1 61 61 TYR HA H 1 4.559 0.001 . 1 . . 129 . X 61 TYR HA . 34408 1 610 . 1 1 61 61 TYR HB2 H 1 2.869 0.004 . 1 . . 130 . X 61 TYR HB2 . 34408 1 611 . 1 1 61 61 TYR HB3 H 1 3.425 0.006 . 1 . . 131 . X 61 TYR HB3 . 34408 1 612 . 1 1 61 61 TYR HD1 H 1 7.264 0.002 . 1 . . 132 . X 61 TYR HD1 . 34408 1 613 . 1 1 61 61 TYR HD2 H 1 7.264 0.002 . 1 . . 132 . X 61 TYR HD2 . 34408 1 614 . 1 1 61 61 TYR HE1 H 1 6.778 0.003 . 1 . . 133 . X 61 TYR HE1 . 34408 1 615 . 1 1 61 61 TYR HE2 H 1 6.778 0.003 . 1 . . 133 . X 61 TYR HE2 . 34408 1 616 . 1 1 61 61 TYR CB C 13 38.499 . . 1 . . 564 . X 61 TYR CB . 34408 1 617 . 1 1 61 61 TYR CD1 C 13 133.415 . . 1 . . 530 . X 61 TYR CD1 . 34408 1 618 . 1 1 61 61 TYR CD2 C 13 133.415 . . 1 . . 530 . X 61 TYR CD2 . 34408 1 619 . 1 1 61 61 TYR CE1 C 13 118.204 . . 1 . . 526 . X 61 TYR CE1 . 34408 1 620 . 1 1 61 61 TYR CE2 C 13 118.204 . . 1 . . 526 . X 61 TYR CE2 . 34408 1 621 . 1 1 61 61 TYR N N 15 117.648 . . 1 . . 353 . X 61 TYR N . 34408 1 622 . 1 1 62 62 CYS H H 1 7.459 0.001 . 1 . . 208 . X 62 CYS H . 34408 1 623 . 1 1 62 62 CYS HA H 1 5.019 0.0 . 1 . . 209 . X 62 CYS HA . 34408 1 624 . 1 1 62 62 CYS HB2 H 1 2.786 0.003 . 1 . . 211 . X 62 CYS HB2 . 34408 1 625 . 1 1 62 62 CYS HB3 H 1 3.173 0.002 . 1 . . 210 . X 62 CYS HB3 . 34408 1 626 . 1 1 62 62 CYS CA C 13 53.259 . . 1 . . 485 . X 62 CYS CA . 34408 1 627 . 1 1 62 62 CYS N N 15 116.202 . . 1 . . 350 . X 62 CYS N . 34408 1 628 . 1 1 63 63 ALA H H 1 8.235 0.002 . 1 . . 273 . X 63 ALA H . 34408 1 629 . 1 1 63 63 ALA HA H 1 4.427 0.003 . 1 . . 274 . X 63 ALA HA . 34408 1 630 . 1 1 63 63 ALA HB1 H 1 1.247 0.002 . 1 . . 275 . X 63 ALA HB1 . 34408 1 631 . 1 1 63 63 ALA HB2 H 1 1.247 0.002 . 1 . . 275 . X 63 ALA HB2 . 34408 1 632 . 1 1 63 63 ALA HB3 H 1 1.247 0.002 . 1 . . 275 . X 63 ALA HB3 . 34408 1 633 . 1 1 63 63 ALA CA C 13 51.062 . . 1 . . 517 . X 63 ALA CA . 34408 1 634 . 1 1 63 63 ALA CB C 13 17.656 . . 1 . . 425 . X 63 ALA CB . 34408 1 635 . 1 1 63 63 ALA N N 15 126.532 . . 1 . . 317 . X 63 ALA N . 34408 1 636 . 1 1 64 64 PRO HA H 1 4.401 . . 1 . . 450 . X 64 PRO HA . 34408 1 637 . 1 1 64 64 PRO HB2 H 1 1.855 0.001 . 1 . . 458 . X 64 PRO HB2 . 34408 1 638 . 1 1 64 64 PRO HB3 H 1 2.267 0.001 . 1 . . 459 . X 64 PRO HB3 . 34408 1 639 . 1 1 64 64 PRO HG2 H 1 2.005 0.004 . 1 . . 457 . X 64 PRO HG2 . 34408 1 640 . 1 1 64 64 PRO HG3 H 1 2.005 0.004 . 1 . . 456 . X 64 PRO HG3 . 34408 1 641 . 1 1 64 64 PRO HD2 H 1 3.628 0.002 . 1 . . 401 . X 64 PRO HD2 . 34408 1 642 . 1 1 64 64 PRO HD3 H 1 3.753 0.004 . 1 . . 400 . X 64 PRO HD3 . 34408 1 643 . 1 1 64 64 PRO CA C 13 63.150 . . 1 . . 597 . X 64 PRO CA . 34408 1 644 . 1 1 64 64 PRO CB C 13 32.130 0.018 . 1 . . 613 . X 64 PRO CB . 34408 1 645 . 1 1 64 64 PRO CG C 13 27.474 . . 1 . . 607 . X 64 PRO CG . 34408 1 646 . 1 1 64 64 PRO CD C 13 50.622 . . 1 . . 506 . X 64 PRO CD . 34408 1 647 . 1 1 65 65 LEU H H 1 8.183 0.002 . 1 . . 230 . X 65 LEU H . 34408 1 648 . 1 1 65 65 LEU HA H 1 4.233 0.001 . 1 . . 231 . X 65 LEU HA . 34408 1 649 . 1 1 65 65 LEU HB2 H 1 1.554 0.001 . 1 . . 234 . X 65 LEU HB2 . 34408 1 650 . 1 1 65 65 LEU HB3 H 1 1.554 0.002 . 1 . . 235 . X 65 LEU HB3 . 34408 1 651 . 1 1 65 65 LEU HG H 1 1.596 0.001 . 1 . . 236 . X 65 LEU HG . 34408 1 652 . 1 1 65 65 LEU HD11 H 1 0.875 0.002 . 1 . . 232 . X 65 LEU HD11 . 34408 1 653 . 1 1 65 65 LEU HD12 H 1 0.875 0.002 . 1 . . 232 . X 65 LEU HD12 . 34408 1 654 . 1 1 65 65 LEU HD13 H 1 0.875 0.002 . 1 . . 232 . X 65 LEU HD13 . 34408 1 655 . 1 1 65 65 LEU HD21 H 1 0.913 0.002 . 1 . . 233 . X 65 LEU HD21 . 34408 1 656 . 1 1 65 65 LEU HD22 H 1 0.913 0.002 . 1 . . 233 . X 65 LEU HD22 . 34408 1 657 . 1 1 65 65 LEU HD23 H 1 0.913 0.002 . 1 . . 233 . X 65 LEU HD23 . 34408 1 658 . 1 1 65 65 LEU CA C 13 57.324 . . 1 . . 587 . X 65 LEU CA . 34408 1 659 . 1 1 65 65 LEU CB C 13 42.757 . . 1 . . 420 . X 65 LEU CB . 34408 1 660 . 1 1 65 65 LEU CG C 13 27.156 . . 1 . . 647 . X 65 LEU CG . 34408 1 661 . 1 1 65 65 LEU CD1 C 13 23.967 . . 1 . . 540 . X 65 LEU CD1 . 34408 1 662 . 1 1 65 65 LEU CD2 C 13 24.927 . . 1 . . 539 . X 65 LEU CD2 . 34408 1 663 . 1 1 65 65 LEU N N 15 121.973 . . 1 . . 366 . X 65 LEU N . 34408 1 664 . 1 1 66 66 LYS H H 1 8.238 0.002 . 1 . . 253 . X 66 LYS H . 34408 1 665 . 1 1 66 66 LYS HA H 1 4.606 0.001 . 1 . . 254 . X 66 LYS HA . 34408 1 666 . 1 1 66 66 LYS HB2 H 1 1.794 0.001 . 1 . . 258 . X 66 LYS HB2 . 34408 1 667 . 1 1 66 66 LYS HB3 H 1 1.794 0.001 . 1 . . 257 . X 66 LYS HB3 . 34408 1 668 . 1 1 66 66 LYS HG2 H 1 1.417 . . 1 . . 261 . X 66 LYS HG2 . 34408 1 669 . 1 1 66 66 LYS HG3 H 1 1.447 . . 1 . . 262 . X 66 LYS HG3 . 34408 1 670 . 1 1 66 66 LYS HD2 H 1 1.697 . . 1 . . 259 . X 66 LYS HD2 . 34408 1 671 . 1 1 66 66 LYS HD3 H 1 1.697 . . 1 . . 260 . X 66 LYS HD3 . 34408 1 672 . 1 1 66 66 LYS HE2 H 1 3.003 . . 1 . . 255 . X 66 LYS HE2 . 34408 1 673 . 1 1 66 66 LYS HE3 H 1 3.003 . . 1 . . 256 . X 66 LYS HE3 . 34408 1 674 . 1 1 66 66 LYS CA C 13 53.955 . . 1 . . 521 . X 66 LYS CA . 34408 1 675 . 1 1 66 66 LYS CB C 13 32.769 0.006 . 1 . . 624 . X 66 LYS CB . 34408 1 676 . 1 1 66 66 LYS CG C 13 24.702 . . 1 . . 546 . X 66 LYS CG . 34408 1 677 . 1 1 66 66 LYS CD C 13 29.074 . . 1 . . 627 . X 66 LYS CD . 34408 1 678 . 1 1 66 66 LYS CE C 13 41.994 . . 1 . . 556 . X 66 LYS CE . 34408 1 679 . 1 1 66 66 LYS N N 15 123.484 . . 1 . . 321 . X 66 LYS N . 34408 1 680 . 1 1 67 67 PRO HA H 1 4.381 . . 1 . . 383 . X 67 PRO HA . 34408 1 681 . 1 1 67 67 PRO HB2 H 1 1.905 0.006 . 1 . . 379 . X 67 PRO HB2 . 34408 1 682 . 1 1 67 67 PRO HB3 H 1 2.276 0.007 . 1 . . 382 . X 67 PRO HB3 . 34408 1 683 . 1 1 67 67 PRO HG2 H 1 1.901 0.001 . 1 . . 380 . X 67 PRO HG2 . 34408 1 684 . 1 1 67 67 PRO HG3 H 1 1.900 . . 1 . . 381 . X 67 PRO HG3 . 34408 1 685 . 1 1 67 67 PRO HD2 H 1 3.622 0.002 . 1 . . 452 . X 67 PRO HD2 . 34408 1 686 . 1 1 67 67 PRO HD3 H 1 3.795 0.004 . 1 . . 451 . X 67 PRO HD3 . 34408 1 687 . 1 1 67 67 PRO CA C 13 63.018 . . 1 . . 596 . X 67 PRO CA . 34408 1 688 . 1 1 67 67 PRO CB C 13 32.169 0.004 . 1 . . 604 . X 67 PRO CB . 34408 1 689 . 1 1 67 67 PRO CG C 13 27.474 . . 1 . . 606 . X 67 PRO CG . 34408 1 690 . 1 1 67 67 PRO CD C 13 50.682 0.041 . 1 . . 503 . X 67 PRO CD . 34408 1 691 . 1 1 68 68 ALA H H 1 8.307 0.001 . 1 . . 39 . X 68 ALA H . 34408 1 692 . 1 1 68 68 ALA HA H 1 4.295 0.001 . 1 . . 40 . X 68 ALA HA . 34408 1 693 . 1 1 68 68 ALA HB1 H 1 1.392 . . 1 . . 41 . X 68 ALA HB1 . 34408 1 694 . 1 1 68 68 ALA HB2 H 1 1.392 . . 1 . . 41 . X 68 ALA HB2 . 34408 1 695 . 1 1 68 68 ALA HB3 H 1 1.392 . . 1 . . 41 . X 68 ALA HB3 . 34408 1 696 . 1 1 68 68 ALA CA C 13 52.446 . . 1 . . 516 . X 68 ALA CA . 34408 1 697 . 1 1 68 68 ALA CB C 13 19.395 . . 1 . . 477 . X 68 ALA CB . 34408 1 698 . 1 1 68 68 ALA N N 15 124.654 . . 1 . . 339 . X 68 ALA N . 34408 1 699 . 1 1 69 69 LYS H H 1 8.180 0.001 . 1 . . 243 . X 69 LYS H . 34408 1 700 . 1 1 69 69 LYS HA H 1 4.352 0.002 . 1 . . 244 . X 69 LYS HA . 34408 1 701 . 1 1 69 69 LYS HB2 H 1 1.850 0.003 . 1 . . 247 . X 69 LYS HB2 . 34408 1 702 . 1 1 69 69 LYS HB3 H 1 1.779 0.004 . 1 . . 248 . X 69 LYS HB3 . 34408 1 703 . 1 1 69 69 LYS HG2 H 1 1.434 0.001 . 1 . . 249 . X 69 LYS HG2 . 34408 1 704 . 1 1 69 69 LYS HG3 H 1 1.434 0.001 . 1 . . 252 . X 69 LYS HG3 . 34408 1 705 . 1 1 69 69 LYS HD2 H 1 1.694 0.001 . 1 . . 251 . X 69 LYS HD2 . 34408 1 706 . 1 1 69 69 LYS HD3 H 1 1.694 0.001 . 1 . . 250 . X 69 LYS HD3 . 34408 1 707 . 1 1 69 69 LYS HE2 H 1 3.005 0.002 . 1 . . 246 . X 69 LYS HE2 . 34408 1 708 . 1 1 69 69 LYS HE3 H 1 3.004 0.002 . 1 . . 245 . X 69 LYS HE3 . 34408 1 709 . 1 1 69 69 LYS CA C 13 56.242 . . 1 . . 592 . X 69 LYS CA . 34408 1 710 . 1 1 69 69 LYS CB C 13 33.274 0.011 . 1 . . 623 . X 69 LYS CB . 34408 1 711 . 1 1 69 69 LYS CG C 13 24.702 . . 1 . . 547 . X 69 LYS CG . 34408 1 712 . 1 1 69 69 LYS CD C 13 29.074 . . 1 . . 628 . X 69 LYS CD . 34408 1 713 . 1 1 69 69 LYS CE C 13 41.994 . . 1 . . 557 . X 69 LYS CE . 34408 1 714 . 1 1 69 69 LYS N N 15 120.098 . . 1 . . 330 . X 69 LYS N . 34408 1 715 . 1 1 70 70 SER H H 1 8.259 0.003 . 1 . . 46 . X 70 SER H . 34408 1 716 . 1 1 70 70 SER HA H 1 4.439 . . 1 . . 47 . X 70 SER HA . 34408 1 717 . 1 1 70 70 SER HB2 H 1 3.866 . . 1 . . 48 . X 70 SER HB2 . 34408 1 718 . 1 1 70 70 SER HB3 H 1 3.866 . . 1 . . 49 . X 70 SER HB3 . 34408 1 719 . 1 1 70 70 SER CB C 13 63.945 . . 1 . . 512 . X 70 SER CB . 34408 1 720 . 1 1 70 70 SER N N 15 117.744 . . 1 . . 327 . X 70 SER N . 34408 1 721 . 1 1 71 71 ALA H H 1 8.018 . . 1 . . 340 . X 71 ALA H . 34408 1 722 . 1 1 71 71 ALA CA C 13 53.361 . . 1 . . 519 . X 71 ALA CA . 34408 1 723 . 1 1 71 71 ALA CB C 13 20.113 . . 1 . . 480 . X 71 ALA CB . 34408 1 724 . 1 1 71 71 ALA N N 15 129.975 . . 1 . . 341 . X 71 ALA N . 34408 1 stop_ save_