data_34628 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34628 _Entry.Title ; NMR solution structure of SNX9 SH3 - EEEV nsP3 peptide complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-05-14 _Entry.Accession_date 2021-05-14 _Entry.Last_release_date 2021-06-11 _Entry.Original_release_date 2021-06-11 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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_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 H. Tossavainen H. . . . 34628 2 P. Permi P. . . . 34628 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ENDOCYTOSIS . 34628 complex . 34628 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34628 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 224 34628 '15N chemical shifts' 66 34628 '1H chemical shifts' 623 34628 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 2 . . 2022-06-09 2021-05-14 update BMRB 'update entry citation' 34628 1 . . 2022-04-11 2021-05-14 original author 'original release' 34628 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7OJ9 'BMRB Entry Tracking System' 34628 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34628 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35390274 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structure of SNX9 SH3 in complex with a viral ligand reveals the molecular basis of its unique specificity for alanine-containing class I SH3 motifs ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 6 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _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 828 _Citation.Page_last 839 _Citation.Year 2022 _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 H. Tossavainen H. . . . 34628 1 2 H. Ugurlu H. . . . 34628 1 3 M. Karjalainen M. . . . 34628 1 4 M. Hellman M. . . . 34628 1 5 R. Fagerlund R. . . . 34628 1 6 K. Saksela K. . . . 34628 1 7 P. Permi P. . . . 34628 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34628 _Assembly.ID 1 _Assembly.Name 'EEEV nsP3 peptide, Sorting nexin-9' _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 unit_1 1 $entity_1 A B yes . . . . . . 34628 1 2 unit_2 2 $entity_2 B A yes . . . . . . 34628 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34628 _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 B _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; AERLIPRRPAPPVPVPARIP SPR ; _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 23 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 2548.062 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 1663 ALA . 34628 1 2 1664 GLU . 34628 1 3 1665 ARG . 34628 1 4 1666 LEU . 34628 1 5 1667 ILE . 34628 1 6 1668 PRO . 34628 1 7 1669 ARG . 34628 1 8 1670 ARG . 34628 1 9 1671 PRO . 34628 1 10 1672 ALA . 34628 1 11 1673 PRO . 34628 1 12 1674 PRO . 34628 1 13 1675 VAL . 34628 1 14 1676 PRO . 34628 1 15 1677 VAL . 34628 1 16 1678 PRO . 34628 1 17 1679 ALA . 34628 1 18 1680 ARG . 34628 1 19 1681 ILE . 34628 1 20 1682 PRO . 34628 1 21 1683 SER . 34628 1 22 1684 PRO . 34628 1 23 1685 ARG . 34628 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 . ALA 1 1 34628 1 . GLU 2 2 34628 1 . ARG 3 3 34628 1 . LEU 4 4 34628 1 . ILE 5 5 34628 1 . PRO 6 6 34628 1 . ARG 7 7 34628 1 . ARG 8 8 34628 1 . PRO 9 9 34628 1 . ALA 10 10 34628 1 . PRO 11 11 34628 1 . PRO 12 12 34628 1 . VAL 13 13 34628 1 . PRO 14 14 34628 1 . VAL 15 15 34628 1 . PRO 16 16 34628 1 . ALA 17 17 34628 1 . ARG 18 18 34628 1 . ILE 19 19 34628 1 . PRO 20 20 34628 1 . SER 21 21 34628 1 . PRO 22 22 34628 1 . ARG 23 23 34628 1 stop_ save_ save_entity_2 _Entity.Sf_category entity _Entity.Sf_framecode entity_2 _Entity.Entry_ID 34628 _Entity.ID 2 _Entity.BMRB_code . _Entity.Name entity_2 _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 ; GSHMATKARVMYDFAAEPGN NELTVNEGEIITITNPDVGG GWLEGRNIKGERGLVPTDYV EILPSDG ; _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 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 2 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7179.922 _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 'Protein SDP1' common 34628 2 'SH3 and PX domain-containing protein 1' common 34628 2 'SH3 and PX domain-containing protein 3A' common 34628 2 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 -2 GLY . 34628 2 2 -1 SER . 34628 2 3 0 HIS . 34628 2 4 1 MET . 34628 2 5 2 ALA . 34628 2 6 3 THR . 34628 2 7 4 LYS . 34628 2 8 5 ALA . 34628 2 9 6 ARG . 34628 2 10 7 VAL . 34628 2 11 8 MET . 34628 2 12 9 TYR . 34628 2 13 10 ASP . 34628 2 14 11 PHE . 34628 2 15 12 ALA . 34628 2 16 13 ALA . 34628 2 17 14 GLU . 34628 2 18 15 PRO . 34628 2 19 16 GLY . 34628 2 20 17 ASN . 34628 2 21 18 ASN . 34628 2 22 19 GLU . 34628 2 23 20 LEU . 34628 2 24 21 THR . 34628 2 25 22 VAL . 34628 2 26 23 ASN . 34628 2 27 24 GLU . 34628 2 28 25 GLY . 34628 2 29 26 GLU . 34628 2 30 27 ILE . 34628 2 31 28 ILE . 34628 2 32 29 THR . 34628 2 33 30 ILE . 34628 2 34 31 THR . 34628 2 35 32 ASN . 34628 2 36 33 PRO . 34628 2 37 34 ASP . 34628 2 38 35 VAL . 34628 2 39 36 GLY . 34628 2 40 37 GLY . 34628 2 41 38 GLY . 34628 2 42 39 TRP . 34628 2 43 40 LEU . 34628 2 44 41 GLU . 34628 2 45 42 GLY . 34628 2 46 43 ARG . 34628 2 47 44 ASN . 34628 2 48 45 ILE . 34628 2 49 46 LYS . 34628 2 50 47 GLY . 34628 2 51 48 GLU . 34628 2 52 49 ARG . 34628 2 53 50 GLY . 34628 2 54 51 LEU . 34628 2 55 52 VAL . 34628 2 56 53 PRO . 34628 2 57 54 THR . 34628 2 58 55 ASP . 34628 2 59 56 TYR . 34628 2 60 57 VAL . 34628 2 61 58 GLU . 34628 2 62 59 ILE . 34628 2 63 60 LEU . 34628 2 64 61 PRO . 34628 2 65 62 SER . 34628 2 66 63 ASP . 34628 2 67 64 GLY . 34628 2 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 34628 2 . SER 2 2 34628 2 . HIS 3 3 34628 2 . MET 4 4 34628 2 . ALA 5 5 34628 2 . THR 6 6 34628 2 . LYS 7 7 34628 2 . ALA 8 8 34628 2 . ARG 9 9 34628 2 . VAL 10 10 34628 2 . MET 11 11 34628 2 . TYR 12 12 34628 2 . ASP 13 13 34628 2 . PHE 14 14 34628 2 . ALA 15 15 34628 2 . ALA 16 16 34628 2 . GLU 17 17 34628 2 . PRO 18 18 34628 2 . GLY 19 19 34628 2 . ASN 20 20 34628 2 . ASN 21 21 34628 2 . GLU 22 22 34628 2 . LEU 23 23 34628 2 . THR 24 24 34628 2 . VAL 25 25 34628 2 . ASN 26 26 34628 2 . GLU 27 27 34628 2 . GLY 28 28 34628 2 . GLU 29 29 34628 2 . ILE 30 30 34628 2 . ILE 31 31 34628 2 . THR 32 32 34628 2 . ILE 33 33 34628 2 . THR 34 34 34628 2 . ASN 35 35 34628 2 . PRO 36 36 34628 2 . ASP 37 37 34628 2 . VAL 38 38 34628 2 . GLY 39 39 34628 2 . GLY 40 40 34628 2 . GLY 41 41 34628 2 . TRP 42 42 34628 2 . LEU 43 43 34628 2 . GLU 44 44 34628 2 . GLY 45 45 34628 2 . ARG 46 46 34628 2 . ASN 47 47 34628 2 . ILE 48 48 34628 2 . LYS 49 49 34628 2 . GLY 50 50 34628 2 . GLU 51 51 34628 2 . ARG 52 52 34628 2 . GLY 53 53 34628 2 . LEU 54 54 34628 2 . VAL 55 55 34628 2 . PRO 56 56 34628 2 . THR 57 57 34628 2 . ASP 58 58 34628 2 . TYR 59 59 34628 2 . VAL 60 60 34628 2 . GLU 61 61 34628 2 . ILE 62 62 34628 2 . LEU 63 63 34628 2 . PRO 64 64 34628 2 . SER 65 65 34628 2 . ASP 66 66 34628 2 . GLY 67 67 34628 2 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 34628 _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 . 11021 organism . 'Eastern equine encephalitis virus' 'Eastern equine encephalitis virus' . . Viruses . Alphavirus 'Eastern equine encephalitis virus' . . . . . . . . . . . . . 34628 1 2 2 $entity_2 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . 'SNX9, SH3PX1, SH3PXD3A' . 34628 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 34628 _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 . 'chemical synthesis' . . . . . . . . . . . . . . . . 34628 1 2 2 $entity_2 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34628 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34628 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM [U-13C; U-15N] SNX9 SH3, 1 mM EEEV nsP3 peptide, 20 mM sodium phosphate, 50 mM sodium chloride, 93% H2O/7% D2O' _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 'SNX9 SH3' '[U-13C; U-15N]' . . 2 $entity_2 . . 1 . . mM . . . . 34628 1 2 'EEEV nsP3 peptide' 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 34628 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34628 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 34628 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 34628 _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' 0.15 . M 34628 1 pH 6.5 . pH 34628 1 pressure 1 . atm 34628 1 temperature 298 . K 34628 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34628 _Software.ID 1 _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' . . 34628 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 34628 1 processing . 34628 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34628 _Software.ID 2 _Software.Type . _Software.Name 'CcpNmr Analysis' _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34628 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34628 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34628 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34628 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34628 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34628 _Software.ID 4 _Software.Type . _Software.Name Amber _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34628 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34628 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 34628 _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 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34628 _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' . 800 . . . 34628 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 34628 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 7 '3D iHNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 9 '3D (H)CC(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 10 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 11 '3D HCCH-COSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 12 '3D HCCmHm-TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 13 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 14 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 15 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 16 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 17 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 18 'X-filtered-, 13C-edited NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 19 'F1, F2, 15N, 13C-filtered NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 1 20 'X-filtered NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34628 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 34628 _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 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.251449530 . . . . . 34628 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34628 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34628 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 34628 _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-15N HSQC' . . . 34628 1 2 '2D 1H-13C HSQC aliphatic' . . . 34628 1 3 '2D 1H-13C HSQC aromatic' . . . 34628 1 4 '3D HNCACB' . . . 34628 1 5 '3D CBCA(CO)NH' . . . 34628 1 6 '3D HNCO' . . . 34628 1 7 '3D iHNCO' . . . 34628 1 8 '3D H(CCO)NH' . . . 34628 1 9 '3D (H)CC(CO)NH' . . . 34628 1 10 '3D HBHA(CO)NH' . . . 34628 1 11 '3D HCCH-COSY' . . . 34628 1 12 '3D HCCmHm-TOCSY' . . . 34628 1 13 '2D (HB)CB(CGCD)HD' . . . 34628 1 14 '3D 1H-13C NOESY aromatic' . . . 34628 1 15 '3D 1H-13C NOESY aliphatic' . . . 34628 1 16 '2D (HB)CB(CGCDCE)HE' . . . 34628 1 17 '3D 1H-15N NOESY' . . . 34628 1 18 'X-filtered-, 13C-edited NOESY' . . . 34628 1 19 'F1, F2, 15N, 13C-filtered NOESY' . . . 34628 1 20 'X-filtered NOESY' . . . 34628 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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 ALA HA H 1 4.06 0.02 . 1 . . . . B 1663 ALA HA . 34628 1 2 . 1 . 1 1 1 ALA HB1 H 1 1.49 0.02 . 1 . . . . B 1663 ALA HB1 . 34628 1 3 . 1 . 1 1 1 ALA HB2 H 1 1.49 0.02 . 1 . . . . B 1663 ALA HB2 . 34628 1 4 . 1 . 1 1 1 ALA HB3 H 1 1.49 0.02 . 1 . . . . B 1663 ALA HB3 . 34628 1 5 . 1 . 1 2 2 GLU HA H 1 4.31 0.02 . 1 . . . . B 1664 GLU HA . 34628 1 6 . 1 . 1 2 2 GLU HB2 H 1 2.02 0.02 . 2 . . . . B 1664 GLU HB2 . 34628 1 7 . 1 . 1 2 2 GLU HB3 H 1 1.91 0.02 . 2 . . . . B 1664 GLU HB3 . 34628 1 8 . 1 . 1 2 2 GLU HG2 H 1 2.28 0.02 . 2 . . . . B 1664 GLU HG2 . 34628 1 9 . 1 . 1 2 2 GLU HG3 H 1 2.25 0.02 . 2 . . . . B 1664 GLU HG3 . 34628 1 10 . 1 . 1 3 3 ARG H H 1 8.42 0.02 . 1 . . . . B 1665 ARG H . 34628 1 11 . 1 . 1 3 3 ARG HA H 1 4.33 0.02 . 1 . . . . B 1665 ARG HA . 34628 1 12 . 1 . 1 3 3 ARG HB2 H 1 1.76 0.02 . 1 . . . . B 1665 ARG HB2 . 34628 1 13 . 1 . 1 3 3 ARG HB3 H 1 1.76 0.02 . 1 . . . . B 1665 ARG HB3 . 34628 1 14 . 1 . 1 3 3 ARG HG2 H 1 1.61 0.02 . 2 . . . . B 1665 ARG HG2 . 34628 1 15 . 1 . 1 3 3 ARG HG3 H 1 1.57 0.02 . 2 . . . . B 1665 ARG HG3 . 34628 1 16 . 1 . 1 3 3 ARG HD2 H 1 3.18 0.02 . 1 . . . . B 1665 ARG HD2 . 34628 1 17 . 1 . 1 3 3 ARG HD3 H 1 3.18 0.02 . 1 . . . . B 1665 ARG HD3 . 34628 1 18 . 1 . 1 4 4 LEU H H 1 8.45 0.02 . 1 . . . . B 1666 LEU H . 34628 1 19 . 1 . 1 4 4 LEU HA H 1 4.31 0.02 . 1 . . . . B 1666 LEU HA . 34628 1 20 . 1 . 1 4 4 LEU HB2 H 1 1.67 0.02 . 2 . . . . B 1666 LEU HB2 . 34628 1 21 . 1 . 1 4 4 LEU HB3 H 1 1.60 0.02 . 2 . . . . B 1666 LEU HB3 . 34628 1 22 . 1 . 1 4 4 LEU HG H 1 1.22 0.02 . 1 . . . . B 1666 LEU HG . 34628 1 23 . 1 . 1 4 4 LEU HD11 H 1 0.76 0.02 . 2 . . . . B 1666 LEU HD11 . 34628 1 24 . 1 . 1 4 4 LEU HD12 H 1 0.76 0.02 . 2 . . . . B 1666 LEU HD12 . 34628 1 25 . 1 . 1 4 4 LEU HD13 H 1 0.76 0.02 . 2 . . . . B 1666 LEU HD13 . 34628 1 26 . 1 . 1 4 4 LEU HD21 H 1 0.82 0.02 . 2 . . . . B 1666 LEU HD21 . 34628 1 27 . 1 . 1 4 4 LEU HD22 H 1 0.82 0.02 . 2 . . . . B 1666 LEU HD22 . 34628 1 28 . 1 . 1 4 4 LEU HD23 H 1 0.82 0.02 . 2 . . . . B 1666 LEU HD23 . 34628 1 29 . 1 . 1 5 5 ILE H H 1 7.91 0.02 . 1 . . . . B 1667 ILE H . 34628 1 30 . 1 . 1 5 5 ILE HA H 1 4.48 0.02 . 1 . . . . B 1667 ILE HA . 34628 1 31 . 1 . 1 5 5 ILE HB H 1 1.72 0.02 . 1 . . . . B 1667 ILE HB . 34628 1 32 . 1 . 1 5 5 ILE HG12 H 1 1.05 0.02 . 2 . . . . B 1667 ILE HG12 . 34628 1 33 . 1 . 1 5 5 ILE HG13 H 1 1.42 0.02 . 2 . . . . B 1667 ILE HG13 . 34628 1 34 . 1 . 1 5 5 ILE HG21 H 1 0.85 0.02 . 1 . . . . B 1667 ILE HG21 . 34628 1 35 . 1 . 1 5 5 ILE HG22 H 1 0.85 0.02 . 1 . . . . B 1667 ILE HG22 . 34628 1 36 . 1 . 1 5 5 ILE HG23 H 1 0.85 0.02 . 1 . . . . B 1667 ILE HG23 . 34628 1 37 . 1 . 1 5 5 ILE HD11 H 1 0.80 0.02 . 1 . . . . B 1667 ILE HD11 . 34628 1 38 . 1 . 1 5 5 ILE HD12 H 1 0.80 0.02 . 1 . . . . B 1667 ILE HD12 . 34628 1 39 . 1 . 1 5 5 ILE HD13 H 1 0.80 0.02 . 1 . . . . B 1667 ILE HD13 . 34628 1 40 . 1 . 1 6 6 PRO HA H 1 3.89 0.02 . 1 . . . . B 1668 PRO HA . 34628 1 41 . 1 . 1 6 6 PRO HB2 H 1 1.70 0.02 . 2 . . . . B 1668 PRO HB2 . 34628 1 42 . 1 . 1 6 6 PRO HB3 H 1 1.48 0.02 . 2 . . . . B 1668 PRO HB3 . 34628 1 43 . 1 . 1 6 6 PRO HG2 H 1 2.04 0.02 . 2 . . . . B 1668 PRO HG2 . 34628 1 44 . 1 . 1 6 6 PRO HG3 H 1 1.57 0.02 . 2 . . . . B 1668 PRO HG3 . 34628 1 45 . 1 . 1 6 6 PRO HD2 H 1 3.61 0.02 . 2 . . . . B 1668 PRO HD2 . 34628 1 46 . 1 . 1 6 6 PRO HD3 H 1 3.63 0.02 . 2 . . . . B 1668 PRO HD3 . 34628 1 47 . 1 . 1 7 7 ARG H H 1 8.67 0.02 . 1 . . . . B 1669 ARG H . 34628 1 48 . 1 . 1 7 7 ARG HA H 1 4.28 0.02 . 1 . . . . B 1669 ARG HA . 34628 1 49 . 1 . 1 7 7 ARG HB2 H 1 1.95 0.02 . 2 . . . . B 1669 ARG HB2 . 34628 1 50 . 1 . 1 7 7 ARG HB3 H 1 1.50 0.02 . 2 . . . . B 1669 ARG HB3 . 34628 1 51 . 1 . 1 7 7 ARG HG2 H 1 1.63 0.02 . 2 . . . . B 1669 ARG HG2 . 34628 1 52 . 1 . 1 7 7 ARG HG3 H 1 1.68 0.02 . 2 . . . . B 1669 ARG HG3 . 34628 1 53 . 1 . 1 7 7 ARG HD2 H 1 3.15 0.02 . 1 . . . . B 1669 ARG HD2 . 34628 1 54 . 1 . 1 7 7 ARG HD3 H 1 3.15 0.02 . 1 . . . . B 1669 ARG HD3 . 34628 1 55 . 1 . 1 8 8 ARG H H 1 7.67 0.02 . 1 . . . . B 1670 ARG H . 34628 1 56 . 1 . 1 8 8 ARG HA H 1 4.98 0.02 . 1 . . . . B 1670 ARG HA . 34628 1 57 . 1 . 1 8 8 ARG HB2 H 1 2.00 0.02 . 2 . . . . B 1670 ARG HB2 . 34628 1 58 . 1 . 1 8 8 ARG HB3 H 1 1.92 0.02 . 2 . . . . B 1670 ARG HB3 . 34628 1 59 . 1 . 1 8 8 ARG HG2 H 1 1.84 0.02 . 2 . . . . B 1670 ARG HG2 . 34628 1 60 . 1 . 1 8 8 ARG HG3 H 1 1.65 0.02 . 2 . . . . B 1670 ARG HG3 . 34628 1 61 . 1 . 1 8 8 ARG HD2 H 1 3.43 0.02 . 2 . . . . B 1670 ARG HD2 . 34628 1 62 . 1 . 1 8 8 ARG HD3 H 1 3.04 0.02 . 2 . . . . B 1670 ARG HD3 . 34628 1 63 . 1 . 1 8 8 ARG HE H 1 9.62 0.02 . 1 . . . . B 1670 ARG HE . 34628 1 64 . 1 . 1 8 8 ARG HH11 H 1 6.98 0.02 . 1 . . . . B 1670 ARG HH11 . 34628 1 65 . 1 . 1 8 8 ARG HH12 H 1 6.98 0.02 . 1 . . . . B 1670 ARG HH12 . 34628 1 66 . 1 . 1 8 8 ARG HH21 H 1 6.98 0.02 . 1 . . . . B 1670 ARG HH21 . 34628 1 67 . 1 . 1 8 8 ARG HH22 H 1 6.98 0.02 . 1 . . . . B 1670 ARG HH22 . 34628 1 68 . 1 . 1 9 9 PRO HB2 H 1 2.39 0.02 . 2 . . . . B 1671 PRO HB2 . 34628 1 69 . 1 . 1 9 9 PRO HB3 H 1 1.84 0.02 . 2 . . . . B 1671 PRO HB3 . 34628 1 70 . 1 . 1 9 9 PRO HG2 H 1 2.10 0.02 . 2 . . . . B 1671 PRO HG2 . 34628 1 71 . 1 . 1 9 9 PRO HG3 H 1 2.00 0.02 . 2 . . . . B 1671 PRO HG3 . 34628 1 72 . 1 . 1 9 9 PRO HD2 H 1 3.84 0.02 . 2 . . . . B 1671 PRO HD2 . 34628 1 73 . 1 . 1 9 9 PRO HD3 H 1 3.71 0.02 . 2 . . . . B 1671 PRO HD3 . 34628 1 74 . 1 . 1 10 10 ALA H H 1 8.23 0.02 . 1 . . . . B 1672 ALA H . 34628 1 75 . 1 . 1 10 10 ALA HA H 1 3.67 0.02 . 1 . . . . B 1672 ALA HA . 34628 1 76 . 1 . 1 10 10 ALA HB1 H 1 0.16 0.02 . 1 . . . . B 1672 ALA HB1 . 34628 1 77 . 1 . 1 10 10 ALA HB2 H 1 0.16 0.02 . 1 . . . . B 1672 ALA HB2 . 34628 1 78 . 1 . 1 10 10 ALA HB3 H 1 0.16 0.02 . 1 . . . . B 1672 ALA HB3 . 34628 1 79 . 1 . 1 11 11 PRO HA H 1 4.71 0.02 . 1 . . . . B 1673 PRO HA . 34628 1 80 . 1 . 1 11 11 PRO HB2 H 1 2.36 0.02 . 2 . . . . B 1673 PRO HB2 . 34628 1 81 . 1 . 1 11 11 PRO HB3 H 1 2.10 0.02 . 2 . . . . B 1673 PRO HB3 . 34628 1 82 . 1 . 1 11 11 PRO HG2 H 1 2.20 0.02 . 2 . . . . B 1673 PRO HG2 . 34628 1 83 . 1 . 1 11 11 PRO HG3 H 1 1.92 0.02 . 2 . . . . B 1673 PRO HG3 . 34628 1 84 . 1 . 1 11 11 PRO HD2 H 1 3.53 0.02 . 2 . . . . B 1673 PRO HD2 . 34628 1 85 . 1 . 1 11 11 PRO HD3 H 1 2.79 0.02 . 2 . . . . B 1673 PRO HD3 . 34628 1 86 . 1 . 1 12 12 PRO HA H 1 4.57 0.02 . 1 . . . . B 1674 PRO HA . 34628 1 87 . 1 . 1 12 12 PRO HB2 H 1 2.29 0.02 . 2 . . . . B 1674 PRO HB2 . 34628 1 88 . 1 . 1 12 12 PRO HB3 H 1 1.92 0.02 . 2 . . . . B 1674 PRO HB3 . 34628 1 89 . 1 . 1 12 12 PRO HG2 H 1 2.02 0.02 . 2 . . . . B 1674 PRO HG2 . 34628 1 90 . 1 . 1 12 12 PRO HG3 H 1 1.92 0.02 . 2 . . . . B 1674 PRO HG3 . 34628 1 91 . 1 . 1 12 12 PRO HD2 H 1 3.77 0.02 . 2 . . . . B 1674 PRO HD2 . 34628 1 92 . 1 . 1 12 12 PRO HD3 H 1 3.62 0.02 . 2 . . . . B 1674 PRO HD3 . 34628 1 93 . 1 . 1 13 13 VAL H H 1 8.59 0.02 . 1 . . . . B 1675 VAL H . 34628 1 94 . 1 . 1 13 13 VAL HA H 1 3.52 0.02 . 1 . . . . B 1675 VAL HA . 34628 1 95 . 1 . 1 13 13 VAL HB H 1 1.46 0.02 . 1 . . . . B 1675 VAL HB . 34628 1 96 . 1 . 1 13 13 VAL HG11 H 1 0.51 0.02 . 2 . . . . B 1675 VAL HG11 . 34628 1 97 . 1 . 1 13 13 VAL HG12 H 1 0.51 0.02 . 2 . . . . B 1675 VAL HG12 . 34628 1 98 . 1 . 1 13 13 VAL HG13 H 1 0.51 0.02 . 2 . . . . B 1675 VAL HG13 . 34628 1 99 . 1 . 1 13 13 VAL HG21 H 1 0.72 0.02 . 2 . . . . B 1675 VAL HG21 . 34628 1 100 . 1 . 1 13 13 VAL HG22 H 1 0.72 0.02 . 2 . . . . B 1675 VAL HG22 . 34628 1 101 . 1 . 1 13 13 VAL HG23 H 1 0.72 0.02 . 2 . . . . B 1675 VAL HG23 . 34628 1 102 . 1 . 1 14 14 PRO HA H 1 4.35 0.02 . 1 . . . . B 1676 PRO HA . 34628 1 103 . 1 . 1 14 14 PRO HB2 H 1 2.15 0.02 . 2 . . . . B 1676 PRO HB2 . 34628 1 104 . 1 . 1 14 14 PRO HB3 H 1 1.77 0.02 . 2 . . . . B 1676 PRO HB3 . 34628 1 105 . 1 . 1 14 14 PRO HG2 H 1 1.93 0.02 . 2 . . . . B 1676 PRO HG2 . 34628 1 106 . 1 . 1 14 14 PRO HG3 H 1 1.69 0.02 . 2 . . . . B 1676 PRO HG3 . 34628 1 107 . 1 . 1 14 14 PRO HD2 H 1 3.02 0.02 . 1 . . . . B 1676 PRO HD2 . 34628 1 108 . 1 . 1 14 14 PRO HD3 H 1 3.02 0.02 . 1 . . . . B 1676 PRO HD3 . 34628 1 109 . 1 . 1 15 15 VAL H H 1 7.72 0.02 . 1 . . . . B 1677 VAL H . 34628 1 110 . 1 . 1 15 15 VAL HA H 1 4.34 0.02 . 1 . . . . B 1677 VAL HA . 34628 1 111 . 1 . 1 15 15 VAL HB H 1 2.02 0.02 . 1 . . . . B 1677 VAL HB . 34628 1 112 . 1 . 1 15 15 VAL HG11 H 1 0.88 0.02 . 2 . . . . B 1677 VAL HG11 . 34628 1 113 . 1 . 1 15 15 VAL HG12 H 1 0.88 0.02 . 2 . . . . B 1677 VAL HG12 . 34628 1 114 . 1 . 1 15 15 VAL HG13 H 1 0.88 0.02 . 2 . . . . B 1677 VAL HG13 . 34628 1 115 . 1 . 1 15 15 VAL HG21 H 1 0.94 0.02 . 2 . . . . B 1677 VAL HG21 . 34628 1 116 . 1 . 1 15 15 VAL HG22 H 1 0.94 0.02 . 2 . . . . B 1677 VAL HG22 . 34628 1 117 . 1 . 1 15 15 VAL HG23 H 1 0.94 0.02 . 2 . . . . B 1677 VAL HG23 . 34628 1 118 . 1 . 1 16 16 PRO HA H 1 4.38 0.02 . 1 . . . . B 1678 PRO HA . 34628 1 119 . 1 . 1 16 16 PRO HB2 H 1 2.32 0.02 . 2 . . . . B 1678 PRO HB2 . 34628 1 120 . 1 . 1 16 16 PRO HB3 H 1 1.89 0.02 . 2 . . . . B 1678 PRO HB3 . 34628 1 121 . 1 . 1 16 16 PRO HG2 H 1 2.04 0.02 . 2 . . . . B 1678 PRO HG2 . 34628 1 122 . 1 . 1 16 16 PRO HG3 H 1 2.00 0.02 . 2 . . . . B 1678 PRO HG3 . 34628 1 123 . 1 . 1 16 16 PRO HD2 H 1 3.82 0.02 . 2 . . . . B 1678 PRO HD2 . 34628 1 124 . 1 . 1 16 16 PRO HD3 H 1 3.64 0.02 . 2 . . . . B 1678 PRO HD3 . 34628 1 125 . 1 . 1 17 17 ALA H H 1 8.31 0.02 . 1 . . . . B 1679 ALA H . 34628 1 126 . 1 . 1 17 17 ALA HA H 1 4.27 0.02 . 1 . . . . B 1679 ALA HA . 34628 1 127 . 1 . 1 17 17 ALA HB1 H 1 1.38 0.02 . 1 . . . . B 1679 ALA HB1 . 34628 1 128 . 1 . 1 17 17 ALA HB2 H 1 1.38 0.02 . 1 . . . . B 1679 ALA HB2 . 34628 1 129 . 1 . 1 17 17 ALA HB3 H 1 1.38 0.02 . 1 . . . . B 1679 ALA HB3 . 34628 1 130 . 1 . 1 18 18 ARG H H 1 8.23 0.02 . 1 . . . . B 1680 ARG H . 34628 1 131 . 1 . 1 18 18 ARG HA H 1 4.33 0.02 . 1 . . . . B 1680 ARG HA . 34628 1 132 . 1 . 1 18 18 ARG HB2 H 1 1.74 0.02 . 2 . . . . B 1680 ARG HB2 . 34628 1 133 . 1 . 1 18 18 ARG HB3 H 1 1.80 0.02 . 2 . . . . B 1680 ARG HB3 . 34628 1 134 . 1 . 1 18 18 ARG HG2 H 1 1.57 0.02 . 2 . . . . B 1680 ARG HG2 . 34628 1 135 . 1 . 1 18 18 ARG HG3 H 1 1.62 0.02 . 2 . . . . B 1680 ARG HG3 . 34628 1 136 . 1 . 1 18 18 ARG HD2 H 1 3.19 0.02 . 1 . . . . B 1680 ARG HD2 . 34628 1 137 . 1 . 1 18 18 ARG HD3 H 1 3.19 0.02 . 1 . . . . B 1680 ARG HD3 . 34628 1 138 . 1 . 1 19 19 ILE H H 1 8.23 0.02 . 1 . . . . B 1681 ILE H . 34628 1 139 . 1 . 1 19 19 ILE HA H 1 4.47 0.02 . 1 . . . . B 1681 ILE HA . 34628 1 140 . 1 . 1 19 19 ILE HB H 1 1.88 0.02 . 1 . . . . B 1681 ILE HB . 34628 1 141 . 1 . 1 19 19 ILE HG12 H 1 1.19 0.02 . 2 . . . . B 1681 ILE HG12 . 34628 1 142 . 1 . 1 19 19 ILE HG13 H 1 1.51 0.02 . 2 . . . . B 1681 ILE HG13 . 34628 1 143 . 1 . 1 19 19 ILE HG21 H 1 0.96 0.02 . 1 . . . . B 1681 ILE HG21 . 34628 1 144 . 1 . 1 19 19 ILE HG22 H 1 0.96 0.02 . 1 . . . . B 1681 ILE HG22 . 34628 1 145 . 1 . 1 19 19 ILE HG23 H 1 0.96 0.02 . 1 . . . . B 1681 ILE HG23 . 34628 1 146 . 1 . 1 19 19 ILE HD11 H 1 0.87 0.02 . 1 . . . . B 1681 ILE HD11 . 34628 1 147 . 1 . 1 19 19 ILE HD12 H 1 0.87 0.02 . 1 . . . . B 1681 ILE HD12 . 34628 1 148 . 1 . 1 19 19 ILE HD13 H 1 0.87 0.02 . 1 . . . . B 1681 ILE HD13 . 34628 1 149 . 1 . 1 20 20 PRO HA H 1 4.43 0.02 . 1 . . . . B 1682 PRO HA . 34628 1 150 . 1 . 1 20 20 PRO HB2 H 1 2.29 0.02 . 2 . . . . B 1682 PRO HB2 . 34628 1 151 . 1 . 1 20 20 PRO HB3 H 1 1.91 0.02 . 2 . . . . B 1682 PRO HB3 . 34628 1 152 . 1 . 1 20 20 PRO HG2 H 1 2.05 0.02 . 2 . . . . B 1682 PRO HG2 . 34628 1 153 . 1 . 1 20 20 PRO HG3 H 1 1.98 0.02 . 2 . . . . B 1682 PRO HG3 . 34628 1 154 . 1 . 1 20 20 PRO HD2 H 1 3.70 0.02 . 2 . . . . B 1682 PRO HD2 . 34628 1 155 . 1 . 1 20 20 PRO HD3 H 1 3.89 0.02 . 2 . . . . B 1682 PRO HD3 . 34628 1 156 . 1 . 1 21 21 SER H H 1 8.38 0.02 . 1 . . . . B 1683 SER H . 34628 1 157 . 1 . 1 21 21 SER HA H 1 4.75 0.02 . 1 . . . . B 1683 SER HA . 34628 1 158 . 1 . 1 21 21 SER HB2 H 1 3.91 0.02 . 2 . . . . B 1683 SER HB2 . 34628 1 159 . 1 . 1 21 21 SER HB3 H 1 3.83 0.02 . 2 . . . . B 1683 SER HB3 . 34628 1 160 . 1 . 1 22 22 PRO HA H 1 4.44 0.02 . 1 . . . . B 1684 PRO HA . 34628 1 161 . 1 . 1 22 22 PRO HB2 H 1 2.29 0.02 . 2 . . . . B 1684 PRO HB2 . 34628 1 162 . 1 . 1 22 22 PRO HB3 H 1 1.98 0.02 . 2 . . . . B 1684 PRO HB3 . 34628 1 163 . 1 . 1 22 22 PRO HG2 H 1 1.99 0.02 . 2 . . . . B 1684 PRO HG2 . 34628 1 164 . 1 . 1 22 22 PRO HG3 H 1 2.03 0.02 . 2 . . . . B 1684 PRO HG3 . 34628 1 165 . 1 . 1 22 22 PRO HD2 H 1 3.84 0.02 . 2 . . . . B 1684 PRO HD2 . 34628 1 166 . 1 . 1 22 22 PRO HD3 H 1 3.74 0.02 . 2 . . . . B 1684 PRO HD3 . 34628 1 167 . 1 . 1 23 23 ARG H H 1 7.94 0.02 . 1 . . . . B 1685 ARG H . 34628 1 168 . 1 . 1 23 23 ARG HA H 1 4.17 0.02 . 1 . . . . B 1685 ARG HA . 34628 1 169 . 1 . 1 23 23 ARG HB2 H 1 1.86 0.02 . 2 . . . . B 1685 ARG HB2 . 34628 1 170 . 1 . 1 23 23 ARG HB3 H 1 1.85 0.02 . 2 . . . . B 1685 ARG HB3 . 34628 1 171 . 1 . 1 23 23 ARG HG2 H 1 1.72 0.02 . 2 . . . . B 1685 ARG HG2 . 34628 1 172 . 1 . 1 23 23 ARG HG3 H 1 1.61 0.02 . 2 . . . . B 1685 ARG HG3 . 34628 1 173 . 1 . 1 23 23 ARG HD2 H 1 3.21 0.02 . 1 . . . . B 1685 ARG HD2 . 34628 1 174 . 1 . 1 23 23 ARG HD3 H 1 3.21 0.02 . 1 . . . . B 1685 ARG HD3 . 34628 1 175 . 2 . 2 1 1 GLY HA2 H 1 3.87 0.02 . 1 . . . . A -2 GLY HA2 . 34628 1 176 . 2 . 2 1 1 GLY HA3 H 1 3.87 0.02 . 1 . . . . A -2 GLY HA3 . 34628 1 177 . 2 . 2 1 1 GLY CA C 13 43.57 0.2 . 1 . . . . A -2 GLY CA . 34628 1 178 . 2 . 2 2 2 SER HA H 1 4.48 0.02 . 1 . . . . A -1 SER HA . 34628 1 179 . 2 . 2 2 2 SER HB2 H 1 3.84 0.02 . 1 . . . . A -1 SER HB2 . 34628 1 180 . 2 . 2 2 2 SER HB3 H 1 3.84 0.02 . 1 . . . . A -1 SER HB3 . 34628 1 181 . 2 . 2 2 2 SER CA C 13 58.29 0.2 . 1 . . . . A -1 SER CA . 34628 1 182 . 2 . 2 2 2 SER CB C 13 63.96 0.2 . 1 . . . . A -1 SER CB . 34628 1 183 . 2 . 2 3 3 HIS HA H 1 4.67 0.02 . 1 . . . . A 0 HIS HA . 34628 1 184 . 2 . 2 3 3 HIS HB2 H 1 3.18 0.02 . 2 . . . . A 0 HIS HB2 . 34628 1 185 . 2 . 2 3 3 HIS HB3 H 1 3.10 0.02 . 2 . . . . A 0 HIS HB3 . 34628 1 186 . 2 . 2 3 3 HIS HD2 H 1 7.09 0.02 . 1 . . . . A 0 HIS HD2 . 34628 1 187 . 2 . 2 3 3 HIS HE1 H 1 8.04 0.02 . 1 . . . . A 0 HIS HE1 . 34628 1 188 . 2 . 2 3 3 HIS CA C 13 56.18 0.2 . 1 . . . . A 0 HIS CA . 34628 1 189 . 2 . 2 3 3 HIS CB C 13 30.30 0.2 . 1 . . . . A 0 HIS CB . 34628 1 190 . 2 . 2 3 3 HIS CD2 C 13 120.03 0.2 . 1 . . . . A 0 HIS CD2 . 34628 1 191 . 2 . 2 3 3 HIS CE1 C 13 137.92 0.2 . 1 . . . . A 0 HIS CE1 . 34628 1 192 . 2 . 2 4 4 MET HA H 1 4.46 0.02 . 1 . . . . A 1 MET HA . 34628 1 193 . 2 . 2 4 4 MET HB2 H 1 2.05 0.02 . 2 . . . . A 1 MET HB2 . 34628 1 194 . 2 . 2 4 4 MET HB3 H 1 1.95 0.02 . 2 . . . . A 1 MET HB3 . 34628 1 195 . 2 . 2 4 4 MET HG2 H 1 2.53 0.02 . 2 . . . . A 1 MET HG2 . 34628 1 196 . 2 . 2 4 4 MET HG3 H 1 2.47 0.02 . 2 . . . . A 1 MET HG3 . 34628 1 197 . 2 . 2 4 4 MET HE1 H 1 2.09 0.02 . 1 . . . . A 1 MET HE1 . 34628 1 198 . 2 . 2 4 4 MET HE2 H 1 2.09 0.02 . 1 . . . . A 1 MET HE2 . 34628 1 199 . 2 . 2 4 4 MET HE3 H 1 2.09 0.02 . 1 . . . . A 1 MET HE3 . 34628 1 200 . 2 . 2 4 4 MET CA C 13 55.23 0.2 . 1 . . . . A 1 MET CA . 34628 1 201 . 2 . 2 4 4 MET CB C 13 33.13 0.2 . 1 . . . . A 1 MET CB . 34628 1 202 . 2 . 2 4 4 MET CG C 13 31.87 0.2 . 1 . . . . A 1 MET CG . 34628 1 203 . 2 . 2 4 4 MET CE C 13 17.00 0.2 . 1 . . . . A 1 MET CE . 34628 1 204 . 2 . 2 5 5 ALA H H 1 8.35 0.02 . 1 . . . . A 2 ALA H . 34628 1 205 . 2 . 2 5 5 ALA HA H 1 4.40 0.02 . 1 . . . . A 2 ALA HA . 34628 1 206 . 2 . 2 5 5 ALA HB1 H 1 1.35 0.02 . 1 . . . . A 2 ALA HB1 . 34628 1 207 . 2 . 2 5 5 ALA HB2 H 1 1.35 0.02 . 1 . . . . A 2 ALA HB2 . 34628 1 208 . 2 . 2 5 5 ALA HB3 H 1 1.35 0.02 . 1 . . . . A 2 ALA HB3 . 34628 1 209 . 2 . 2 5 5 ALA CA C 13 52.27 0.2 . 1 . . . . A 2 ALA CA . 34628 1 210 . 2 . 2 5 5 ALA CB C 13 19.66 0.2 . 1 . . . . A 2 ALA CB . 34628 1 211 . 2 . 2 5 5 ALA N N 15 125.89 0.2 . 1 . . . . A 2 ALA N . 34628 1 212 . 2 . 2 6 6 THR H H 1 8.53 0.02 . 1 . . . . A 3 THR H . 34628 1 213 . 2 . 2 6 6 THR HA H 1 4.38 0.02 . 1 . . . . A 3 THR HA . 34628 1 214 . 2 . 2 6 6 THR HB H 1 4.16 0.02 . 1 . . . . A 3 THR HB . 34628 1 215 . 2 . 2 6 6 THR HG21 H 1 1.28 0.02 . 1 . . . . A 3 THR HG21 . 34628 1 216 . 2 . 2 6 6 THR HG22 H 1 1.28 0.02 . 1 . . . . A 3 THR HG22 . 34628 1 217 . 2 . 2 6 6 THR HG23 H 1 1.28 0.02 . 1 . . . . A 3 THR HG23 . 34628 1 218 . 2 . 2 6 6 THR CA C 13 62.61 0.2 . 1 . . . . A 3 THR CA . 34628 1 219 . 2 . 2 6 6 THR CB C 13 70.29 0.2 . 1 . . . . A 3 THR CB . 34628 1 220 . 2 . 2 6 6 THR CG2 C 13 22.49 0.2 . 1 . . . . A 3 THR CG2 . 34628 1 221 . 2 . 2 6 6 THR N N 15 117.53 0.2 . 1 . . . . A 3 THR N . 34628 1 222 . 2 . 2 7 7 LYS H H 1 8.87 0.02 . 1 . . . . A 4 LYS H . 34628 1 223 . 2 . 2 7 7 LYS HA H 1 5.23 0.02 . 1 . . . . A 4 LYS HA . 34628 1 224 . 2 . 2 7 7 LYS HB2 H 1 1.77 0.02 . 2 . . . . A 4 LYS HB2 . 34628 1 225 . 2 . 2 7 7 LYS HB3 H 1 1.67 0.02 . 2 . . . . A 4 LYS HB3 . 34628 1 226 . 2 . 2 7 7 LYS HG2 H 1 1.46 0.02 . 2 . . . . A 4 LYS HG2 . 34628 1 227 . 2 . 2 7 7 LYS HG3 H 1 1.39 0.02 . 2 . . . . A 4 LYS HG3 . 34628 1 228 . 2 . 2 7 7 LYS HD2 H 1 1.60 0.02 . 2 . . . . A 4 LYS HD2 . 34628 1 229 . 2 . 2 7 7 LYS HD3 H 1 1.55 0.02 . 2 . . . . A 4 LYS HD3 . 34628 1 230 . 2 . 2 7 7 LYS HE2 H 1 2.88 0.02 . 1 . . . . A 4 LYS HE2 . 34628 1 231 . 2 . 2 7 7 LYS HE3 H 1 2.88 0.02 . 1 . . . . A 4 LYS HE3 . 34628 1 232 . 2 . 2 7 7 LYS CA C 13 54.72 0.2 . 1 . . . . A 4 LYS CA . 34628 1 233 . 2 . 2 7 7 LYS CB C 13 35.81 0.2 . 1 . . . . A 4 LYS CB . 34628 1 234 . 2 . 2 7 7 LYS CG C 13 25.15 0.2 . 1 . . . . A 4 LYS CG . 34628 1 235 . 2 . 2 7 7 LYS CD C 13 29.09 0.2 . 1 . . . . A 4 LYS CD . 34628 1 236 . 2 . 2 7 7 LYS CE C 13 42.14 0.2 . 1 . . . . A 4 LYS CE . 34628 1 237 . 2 . 2 7 7 LYS N N 15 125.74 0.2 . 1 . . . . A 4 LYS N . 34628 1 238 . 2 . 2 8 8 ALA H H 1 8.97 0.02 . 1 . . . . A 5 ALA H . 34628 1 239 . 2 . 2 8 8 ALA HA H 1 5.15 0.02 . 1 . . . . A 5 ALA HA . 34628 1 240 . 2 . 2 8 8 ALA HB1 H 1 1.04 0.02 . 1 . . . . A 5 ALA HB1 . 34628 1 241 . 2 . 2 8 8 ALA HB2 H 1 1.04 0.02 . 1 . . . . A 5 ALA HB2 . 34628 1 242 . 2 . 2 8 8 ALA HB3 H 1 1.04 0.02 . 1 . . . . A 5 ALA HB3 . 34628 1 243 . 2 . 2 8 8 ALA CA C 13 50.52 0.2 . 1 . . . . A 5 ALA CA . 34628 1 244 . 2 . 2 8 8 ALA CB C 13 23.59 0.2 . 1 . . . . A 5 ALA CB . 34628 1 245 . 2 . 2 8 8 ALA N N 15 120.73 0.2 . 1 . . . . A 5 ALA N . 34628 1 246 . 2 . 2 9 9 ARG H H 1 8.97 0.02 . 1 . . . . A 6 ARG H . 34628 1 247 . 2 . 2 9 9 ARG HA H 1 5.02 0.02 . 1 . . . . A 6 ARG HA . 34628 1 248 . 2 . 2 9 9 ARG HB2 H 1 1.86 0.02 . 2 . . . . A 6 ARG HB2 . 34628 1 249 . 2 . 2 9 9 ARG HB3 H 1 1.55 0.02 . 2 . . . . A 6 ARG HB3 . 34628 1 250 . 2 . 2 9 9 ARG HG2 H 1 1.38 0.02 . 2 . . . . A 6 ARG HG2 . 34628 1 251 . 2 . 2 9 9 ARG HG3 H 1 1.36 0.02 . 2 . . . . A 6 ARG HG3 . 34628 1 252 . 2 . 2 9 9 ARG HD2 H 1 3.22 0.02 . 2 . . . . A 6 ARG HD2 . 34628 1 253 . 2 . 2 9 9 ARG HD3 H 1 3.15 0.02 . 2 . . . . A 6 ARG HD3 . 34628 1 254 . 2 . 2 9 9 ARG HE H 1 7.32 0.02 . 1 . . . . A 6 ARG HE . 34628 1 255 . 2 . 2 9 9 ARG CA C 13 53.94 0.2 . 1 . . . . A 6 ARG CA . 34628 1 256 . 2 . 2 9 9 ARG CB C 13 33.17 0.2 . 1 . . . . A 6 ARG CB . 34628 1 257 . 2 . 2 9 9 ARG CG C 13 27.59 0.2 . 1 . . . . A 6 ARG CG . 34628 1 258 . 2 . 2 9 9 ARG CD C 13 43.36 0.2 . 1 . . . . A 6 ARG CD . 34628 1 259 . 2 . 2 9 9 ARG N N 15 121.30 0.2 . 1 . . . . A 6 ARG N . 34628 1 260 . 2 . 2 9 9 ARG NE N 15 83.86 0.2 . 1 . . . . A 6 ARG NE . 34628 1 261 . 2 . 2 10 10 VAL H H 1 9.31 0.02 . 1 . . . . A 7 VAL H . 34628 1 262 . 2 . 2 10 10 VAL HA H 1 3.94 0.02 . 1 . . . . A 7 VAL HA . 34628 1 263 . 2 . 2 10 10 VAL HB H 1 2.35 0.02 . 1 . . . . A 7 VAL HB . 34628 1 264 . 2 . 2 10 10 VAL HG11 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG11 . 34628 1 265 . 2 . 2 10 10 VAL HG12 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG12 . 34628 1 266 . 2 . 2 10 10 VAL HG13 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG13 . 34628 1 267 . 2 . 2 10 10 VAL HG21 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG21 . 34628 1 268 . 2 . 2 10 10 VAL HG22 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG22 . 34628 1 269 . 2 . 2 10 10 VAL HG23 H 1 0.91 0.02 . 2 . . . . A 7 VAL HG23 . 34628 1 270 . 2 . 2 10 10 VAL CA C 13 64.05 0.2 . 1 . . . . A 7 VAL CA . 34628 1 271 . 2 . 2 10 10 VAL CB C 13 31.38 0.2 . 1 . . . . A 7 VAL CB . 34628 1 272 . 2 . 2 10 10 VAL CG1 C 13 21.47 0.2 . 2 . . . . A 7 VAL CG1 . 34628 1 273 . 2 . 2 10 10 VAL CG2 C 13 23.35 0.2 . 2 . . . . A 7 VAL CG2 . 34628 1 274 . 2 . 2 10 10 VAL N N 15 128.83 0.2 . 1 . . . . A 7 VAL N . 34628 1 275 . 2 . 2 11 11 MET H H 1 9.47 0.02 . 1 . . . . A 8 MET H . 34628 1 276 . 2 . 2 11 11 MET HA H 1 4.22 0.02 . 1 . . . . A 8 MET HA . 34628 1 277 . 2 . 2 11 11 MET HB2 H 1 1.36 0.02 . 2 . . . . A 8 MET HB2 . 34628 1 278 . 2 . 2 11 11 MET HB3 H 1 1.20 0.02 . 2 . . . . A 8 MET HB3 . 34628 1 279 . 2 . 2 11 11 MET HG2 H 1 2.30 0.02 . 2 . . . . A 8 MET HG2 . 34628 1 280 . 2 . 2 11 11 MET HG3 H 1 2.14 0.02 . 2 . . . . A 8 MET HG3 . 34628 1 281 . 2 . 2 11 11 MET HE1 H 1 1.85 0.02 . 1 . . . . A 8 MET HE1 . 34628 1 282 . 2 . 2 11 11 MET HE2 H 1 1.85 0.02 . 1 . . . . A 8 MET HE2 . 34628 1 283 . 2 . 2 11 11 MET HE3 H 1 1.85 0.02 . 1 . . . . A 8 MET HE3 . 34628 1 284 . 2 . 2 11 11 MET CA C 13 56.51 0.2 . 1 . . . . A 8 MET CA . 34628 1 285 . 2 . 2 11 11 MET CB C 13 33.71 0.2 . 1 . . . . A 8 MET CB . 34628 1 286 . 2 . 2 11 11 MET CG C 13 31.76 0.2 . 1 . . . . A 8 MET CG . 34628 1 287 . 2 . 2 11 11 MET CE C 13 16.10 0.2 . 1 . . . . A 8 MET CE . 34628 1 288 . 2 . 2 11 11 MET N N 15 127.98 0.2 . 1 . . . . A 8 MET N . 34628 1 289 . 2 . 2 12 12 TYR H H 1 7.05 0.02 . 1 . . . . A 9 TYR H . 34628 1 290 . 2 . 2 12 12 TYR HA H 1 4.79 0.02 . 1 . . . . A 9 TYR HA . 34628 1 291 . 2 . 2 12 12 TYR HB2 H 1 2.29 0.02 . 2 . . . . A 9 TYR HB2 . 34628 1 292 . 2 . 2 12 12 TYR HB3 H 1 2.99 0.02 . 2 . . . . A 9 TYR HB3 . 34628 1 293 . 2 . 2 12 12 TYR HD1 H 1 6.71 0.02 . 1 . . . . A 9 TYR HD1 . 34628 1 294 . 2 . 2 12 12 TYR HD2 H 1 6.71 0.02 . 1 . . . . A 9 TYR HD2 . 34628 1 295 . 2 . 2 12 12 TYR HE1 H 1 6.66 0.02 . 1 . . . . A 9 TYR HE1 . 34628 1 296 . 2 . 2 12 12 TYR HE2 H 1 6.66 0.02 . 1 . . . . A 9 TYR HE2 . 34628 1 297 . 2 . 2 12 12 TYR CA C 13 54.62 0.2 . 1 . . . . A 9 TYR CA . 34628 1 298 . 2 . 2 12 12 TYR CB C 13 42.16 0.2 . 1 . . . . A 9 TYR CB . 34628 1 299 . 2 . 2 12 12 TYR CD1 C 13 133.79 0.2 . 1 . . . . A 9 TYR CD1 . 34628 1 300 . 2 . 2 12 12 TYR CD2 C 13 133.79 0.2 . 1 . . . . A 9 TYR CD2 . 34628 1 301 . 2 . 2 12 12 TYR CE1 C 13 117.76 0.2 . 1 . . . . A 9 TYR CE1 . 34628 1 302 . 2 . 2 12 12 TYR CE2 C 13 117.76 0.2 . 1 . . . . A 9 TYR CE2 . 34628 1 303 . 2 . 2 12 12 TYR N N 15 114.22 0.2 . 1 . . . . A 9 TYR N . 34628 1 304 . 2 . 2 13 13 ASP H H 1 8.57 0.02 . 1 . . . . A 10 ASP H . 34628 1 305 . 2 . 2 13 13 ASP HA H 1 4.64 0.02 . 1 . . . . A 10 ASP HA . 34628 1 306 . 2 . 2 13 13 ASP HB2 H 1 2.93 0.02 . 2 . . . . A 10 ASP HB2 . 34628 1 307 . 2 . 2 13 13 ASP HB3 H 1 2.61 0.02 . 2 . . . . A 10 ASP HB3 . 34628 1 308 . 2 . 2 13 13 ASP CA C 13 55.73 0.2 . 1 . . . . A 10 ASP CA . 34628 1 309 . 2 . 2 13 13 ASP CB C 13 41.40 0.2 . 1 . . . . A 10 ASP CB . 34628 1 310 . 2 . 2 13 13 ASP N N 15 118.65 0.2 . 1 . . . . A 10 ASP N . 34628 1 311 . 2 . 2 14 14 PHE H H 1 8.75 0.02 . 1 . . . . A 11 PHE H . 34628 1 312 . 2 . 2 14 14 PHE HA H 1 4.93 0.02 . 1 . . . . A 11 PHE HA . 34628 1 313 . 2 . 2 14 14 PHE HB2 H 1 3.26 0.02 . 2 . . . . A 11 PHE HB2 . 34628 1 314 . 2 . 2 14 14 PHE HB3 H 1 3.01 0.02 . 2 . . . . A 11 PHE HB3 . 34628 1 315 . 2 . 2 14 14 PHE HD1 H 1 7.38 0.02 . 1 . . . . A 11 PHE HD1 . 34628 1 316 . 2 . 2 14 14 PHE HD2 H 1 7.38 0.02 . 1 . . . . A 11 PHE HD2 . 34628 1 317 . 2 . 2 14 14 PHE HE1 H 1 7.30 0.02 . 1 . . . . A 11 PHE HE1 . 34628 1 318 . 2 . 2 14 14 PHE HE2 H 1 7.30 0.02 . 1 . . . . A 11 PHE HE2 . 34628 1 319 . 2 . 2 14 14 PHE HZ H 1 7.61 0.02 . 1 . . . . A 11 PHE HZ . 34628 1 320 . 2 . 2 14 14 PHE CA C 13 57.07 0.2 . 1 . . . . A 11 PHE CA . 34628 1 321 . 2 . 2 14 14 PHE CB C 13 41.54 0.2 . 1 . . . . A 11 PHE CB . 34628 1 322 . 2 . 2 14 14 PHE CD1 C 13 132.56 0.2 . 1 . . . . A 11 PHE CD1 . 34628 1 323 . 2 . 2 14 14 PHE CD2 C 13 132.56 0.2 . 1 . . . . A 11 PHE CD2 . 34628 1 324 . 2 . 2 14 14 PHE CE1 C 13 131.10 0.2 . 1 . . . . A 11 PHE CE1 . 34628 1 325 . 2 . 2 14 14 PHE CE2 C 13 131.10 0.2 . 1 . . . . A 11 PHE CE2 . 34628 1 326 . 2 . 2 14 14 PHE CZ C 13 129.91 0.2 . 1 . . . . A 11 PHE CZ . 34628 1 327 . 2 . 2 14 14 PHE N N 15 121.87 0.2 . 1 . . . . A 11 PHE N . 34628 1 328 . 2 . 2 15 15 ALA H H 1 7.92 0.02 . 1 . . . . A 12 ALA H . 34628 1 329 . 2 . 2 15 15 ALA HA H 1 4.44 0.02 . 1 . . . . A 12 ALA HA . 34628 1 330 . 2 . 2 15 15 ALA HB1 H 1 1.14 0.02 . 1 . . . . A 12 ALA HB1 . 34628 1 331 . 2 . 2 15 15 ALA HB2 H 1 1.14 0.02 . 1 . . . . A 12 ALA HB2 . 34628 1 332 . 2 . 2 15 15 ALA HB3 H 1 1.14 0.02 . 1 . . . . A 12 ALA HB3 . 34628 1 333 . 2 . 2 15 15 ALA CA C 13 49.72 0.2 . 1 . . . . A 12 ALA CA . 34628 1 334 . 2 . 2 15 15 ALA CB C 13 19.24 0.2 . 1 . . . . A 12 ALA CB . 34628 1 335 . 2 . 2 15 15 ALA N N 15 131.44 0.2 . 1 . . . . A 12 ALA N . 34628 1 336 . 2 . 2 16 16 ALA H H 1 7.83 0.02 . 1 . . . . A 13 ALA H . 34628 1 337 . 2 . 2 16 16 ALA HA H 1 3.90 0.02 . 1 . . . . A 13 ALA HA . 34628 1 338 . 2 . 2 16 16 ALA HB1 H 1 1.09 0.02 . 1 . . . . A 13 ALA HB1 . 34628 1 339 . 2 . 2 16 16 ALA HB2 H 1 1.09 0.02 . 1 . . . . A 13 ALA HB2 . 34628 1 340 . 2 . 2 16 16 ALA HB3 H 1 1.09 0.02 . 1 . . . . A 13 ALA HB3 . 34628 1 341 . 2 . 2 16 16 ALA CA C 13 51.68 0.2 . 1 . . . . A 13 ALA CA . 34628 1 342 . 2 . 2 16 16 ALA CB C 13 20.95 0.2 . 1 . . . . A 13 ALA CB . 34628 1 343 . 2 . 2 16 16 ALA N N 15 125.12 0.2 . 1 . . . . A 13 ALA N . 34628 1 344 . 2 . 2 17 17 GLU H H 1 8.74 0.02 . 1 . . . . A 14 GLU H . 34628 1 345 . 2 . 2 17 17 GLU HA H 1 4.62 0.02 . 1 . . . . A 14 GLU HA . 34628 1 346 . 2 . 2 17 17 GLU HB2 H 1 1.92 0.02 . 2 . . . . A 14 GLU HB2 . 34628 1 347 . 2 . 2 17 17 GLU HB3 H 1 1.86 0.02 . 2 . . . . A 14 GLU HB3 . 34628 1 348 . 2 . 2 17 17 GLU HG2 H 1 2.21 0.02 . 1 . . . . A 14 GLU HG2 . 34628 1 349 . 2 . 2 17 17 GLU HG3 H 1 2.21 0.02 . 1 . . . . A 14 GLU HG3 . 34628 1 350 . 2 . 2 17 17 GLU CA C 13 53.44 0.2 . 1 . . . . A 14 GLU CA . 34628 1 351 . 2 . 2 17 17 GLU CB C 13 29.82 0.2 . 1 . . . . A 14 GLU CB . 34628 1 352 . 2 . 2 17 17 GLU CG C 13 35.67 0.2 . 1 . . . . A 14 GLU CG . 34628 1 353 . 2 . 2 17 17 GLU CD C 13 183.28 0.2 . 1 . . . . A 14 GLU CD . 34628 1 354 . 2 . 2 17 17 GLU N N 15 125.08 0.2 . 1 . . . . A 14 GLU N . 34628 1 355 . 2 . 2 18 18 PRO HA H 1 4.27 0.02 . 1 . . . . A 15 PRO HA . 34628 1 356 . 2 . 2 18 18 PRO HB2 H 1 2.27 0.02 . 2 . . . . A 15 PRO HB2 . 34628 1 357 . 2 . 2 18 18 PRO HB3 H 1 1.88 0.02 . 2 . . . . A 15 PRO HB3 . 34628 1 358 . 2 . 2 18 18 PRO HG2 H 1 2.07 0.02 . 2 . . . . A 15 PRO HG2 . 34628 1 359 . 2 . 2 18 18 PRO HG3 H 1 1.96 0.02 . 2 . . . . A 15 PRO HG3 . 34628 1 360 . 2 . 2 18 18 PRO HD2 H 1 3.88 0.02 . 2 . . . . A 15 PRO HD2 . 34628 1 361 . 2 . 2 18 18 PRO HD3 H 1 3.65 0.02 . 2 . . . . A 15 PRO HD3 . 34628 1 362 . 2 . 2 18 18 PRO CA C 13 63.94 0.2 . 1 . . . . A 15 PRO CA . 34628 1 363 . 2 . 2 18 18 PRO CB C 13 32.11 0.2 . 1 . . . . A 15 PRO CB . 34628 1 364 . 2 . 2 18 18 PRO CG C 13 27.54 0.2 . 1 . . . . A 15 PRO CG . 34628 1 365 . 2 . 2 18 18 PRO CD C 13 51.12 0.2 . 1 . . . . A 15 PRO CD . 34628 1 366 . 2 . 2 19 19 GLY H H 1 8.66 0.02 . 1 . . . . A 16 GLY H . 34628 1 367 . 2 . 2 19 19 GLY HA2 H 1 4.16 0.02 . 2 . . . . A 16 GLY HA2 . 34628 1 368 . 2 . 2 19 19 GLY HA3 H 1 3.74 0.02 . 2 . . . . A 16 GLY HA3 . 34628 1 369 . 2 . 2 19 19 GLY CA C 13 45.73 0.2 . 1 . . . . A 16 GLY CA . 34628 1 370 . 2 . 2 19 19 GLY N N 15 109.52 0.2 . 1 . . . . A 16 GLY N . 34628 1 371 . 2 . 2 20 20 ASN H H 1 7.64 0.02 . 1 . . . . A 17 ASN H . 34628 1 372 . 2 . 2 20 20 ASN HA H 1 4.77 0.02 . 1 . . . . A 17 ASN HA . 34628 1 373 . 2 . 2 20 20 ASN HB2 H 1 3.04 0.02 . 2 . . . . A 17 ASN HB2 . 34628 1 374 . 2 . 2 20 20 ASN HB3 H 1 2.52 0.02 . 2 . . . . A 17 ASN HB3 . 34628 1 375 . 2 . 2 20 20 ASN HD21 H 1 7.27 0.02 . 1 . . . . A 17 ASN HD21 . 34628 1 376 . 2 . 2 20 20 ASN HD22 H 1 6.92 0.02 . 1 . . . . A 17 ASN HD22 . 34628 1 377 . 2 . 2 20 20 ASN CB C 13 39.64 0.2 . 1 . . . . A 17 ASN CB . 34628 1 378 . 2 . 2 20 20 ASN N N 15 118.47 0.2 . 1 . . . . A 17 ASN N . 34628 1 379 . 2 . 2 20 20 ASN ND2 N 15 108.88 0.2 . 1 . . . . A 17 ASN ND2 . 34628 1 380 . 2 . 2 21 21 ASN H H 1 8.77 0.02 . 1 . . . . A 18 ASN H . 34628 1 381 . 2 . 2 21 21 ASN HA H 1 4.46 0.02 . 1 . . . . A 18 ASN HA . 34628 1 382 . 2 . 2 21 21 ASN HB2 H 1 2.98 0.02 . 2 . . . . A 18 ASN HB2 . 34628 1 383 . 2 . 2 21 21 ASN HB3 H 1 2.85 0.02 . 2 . . . . A 18 ASN HB3 . 34628 1 384 . 2 . 2 21 21 ASN HD21 H 1 7.58 0.02 . 1 . . . . A 18 ASN HD21 . 34628 1 385 . 2 . 2 21 21 ASN HD22 H 1 6.91 0.02 . 1 . . . . A 18 ASN HD22 . 34628 1 386 . 2 . 2 21 21 ASN CA C 13 54.69 0.2 . 1 . . . . A 18 ASN CA . 34628 1 387 . 2 . 2 21 21 ASN CB C 13 37.97 0.2 . 1 . . . . A 18 ASN CB . 34628 1 388 . 2 . 2 21 21 ASN N N 15 117.14 0.2 . 1 . . . . A 18 ASN N . 34628 1 389 . 2 . 2 21 21 ASN ND2 N 15 114.12 0.2 . 1 . . . . A 18 ASN ND2 . 34628 1 390 . 2 . 2 22 22 GLU H H 1 8.44 0.02 . 1 . . . . A 19 GLU H . 34628 1 391 . 2 . 2 22 22 GLU HA H 1 4.61 0.02 . 1 . . . . A 19 GLU HA . 34628 1 392 . 2 . 2 22 22 GLU HB2 H 1 2.25 0.02 . 2 . . . . A 19 GLU HB2 . 34628 1 393 . 2 . 2 22 22 GLU HB3 H 1 1.99 0.02 . 2 . . . . A 19 GLU HB3 . 34628 1 394 . 2 . 2 22 22 GLU HG2 H 1 1.96 0.02 . 1 . . . . A 19 GLU HG2 . 34628 1 395 . 2 . 2 22 22 GLU HG3 H 1 1.96 0.02 . 1 . . . . A 19 GLU HG3 . 34628 1 396 . 2 . 2 22 22 GLU CA C 13 55.38 0.2 . 1 . . . . A 19 GLU CA . 34628 1 397 . 2 . 2 22 22 GLU CB C 13 32.51 0.2 . 1 . . . . A 19 GLU CB . 34628 1 398 . 2 . 2 22 22 GLU CG C 13 36.46 0.2 . 1 . . . . A 19 GLU CG . 34628 1 399 . 2 . 2 22 22 GLU N N 15 117.35 0.2 . 1 . . . . A 19 GLU N . 34628 1 400 . 2 . 2 23 23 LEU H H 1 9.18 0.02 . 1 . . . . A 20 LEU H . 34628 1 401 . 2 . 2 23 23 LEU HA H 1 4.56 0.02 . 1 . . . . A 20 LEU HA . 34628 1 402 . 2 . 2 23 23 LEU HB2 H 1 1.77 0.02 . 2 . . . . A 20 LEU HB2 . 34628 1 403 . 2 . 2 23 23 LEU HB3 H 1 0.46 0.02 . 2 . . . . A 20 LEU HB3 . 34628 1 404 . 2 . 2 23 23 LEU HG H 1 1.35 0.02 . 1 . . . . A 20 LEU HG . 34628 1 405 . 2 . 2 23 23 LEU HD11 H 1 0.52 0.02 . 2 . . . . A 20 LEU HD11 . 34628 1 406 . 2 . 2 23 23 LEU HD12 H 1 0.52 0.02 . 2 . . . . A 20 LEU HD12 . 34628 1 407 . 2 . 2 23 23 LEU HD13 H 1 0.52 0.02 . 2 . . . . A 20 LEU HD13 . 34628 1 408 . 2 . 2 23 23 LEU HD21 H 1 0.68 0.02 . 2 . . . . A 20 LEU HD21 . 34628 1 409 . 2 . 2 23 23 LEU HD22 H 1 0.68 0.02 . 2 . . . . A 20 LEU HD22 . 34628 1 410 . 2 . 2 23 23 LEU HD23 H 1 0.68 0.02 . 2 . . . . A 20 LEU HD23 . 34628 1 411 . 2 . 2 23 23 LEU CA C 13 53.22 0.2 . 1 . . . . A 20 LEU CA . 34628 1 412 . 2 . 2 23 23 LEU CB C 13 44.98 0.2 . 1 . . . . A 20 LEU CB . 34628 1 413 . 2 . 2 23 23 LEU CG C 13 26.11 0.2 . 1 . . . . A 20 LEU CG . 34628 1 414 . 2 . 2 23 23 LEU CD1 C 13 24.82 0.2 . 2 . . . . A 20 LEU CD1 . 34628 1 415 . 2 . 2 23 23 LEU CD2 C 13 23.63 0.2 . 2 . . . . A 20 LEU CD2 . 34628 1 416 . 2 . 2 23 23 LEU N N 15 127.21 0.2 . 1 . . . . A 20 LEU N . 34628 1 417 . 2 . 2 24 24 THR H H 1 8.04 0.02 . 1 . . . . A 21 THR H . 34628 1 418 . 2 . 2 24 24 THR HA H 1 4.57 0.02 . 1 . . . . A 21 THR HA . 34628 1 419 . 2 . 2 24 24 THR HB H 1 4.09 0.02 . 1 . . . . A 21 THR HB . 34628 1 420 . 2 . 2 24 24 THR HG1 H 1 5.94 0.02 . 1 . . . . A 21 THR HG1 . 34628 1 421 . 2 . 2 24 24 THR HG21 H 1 1.32 0.02 . 1 . . . . A 21 THR HG21 . 34628 1 422 . 2 . 2 24 24 THR HG22 H 1 1.32 0.02 . 1 . . . . A 21 THR HG22 . 34628 1 423 . 2 . 2 24 24 THR HG23 H 1 1.32 0.02 . 1 . . . . A 21 THR HG23 . 34628 1 424 . 2 . 2 24 24 THR CA C 13 63.91 0.2 . 1 . . . . A 21 THR CA . 34628 1 425 . 2 . 2 24 24 THR CB C 13 69.65 0.2 . 1 . . . . A 21 THR CB . 34628 1 426 . 2 . 2 24 24 THR CG2 C 13 22.23 0.2 . 1 . . . . A 21 THR CG2 . 34628 1 427 . 2 . 2 24 24 THR N N 15 123.48 0.2 . 1 . . . . A 21 THR N . 34628 1 428 . 2 . 2 25 25 VAL H H 1 8.96 0.02 . 1 . . . . A 22 VAL H . 34628 1 429 . 2 . 2 25 25 VAL HA H 1 5.00 0.02 . 1 . . . . A 22 VAL HA . 34628 1 430 . 2 . 2 25 25 VAL HB H 1 2.21 0.02 . 1 . . . . A 22 VAL HB . 34628 1 431 . 2 . 2 25 25 VAL HG11 H 1 0.94 0.02 . 2 . . . . A 22 VAL HG11 . 34628 1 432 . 2 . 2 25 25 VAL HG12 H 1 0.94 0.02 . 2 . . . . A 22 VAL HG12 . 34628 1 433 . 2 . 2 25 25 VAL HG13 H 1 0.94 0.02 . 2 . . . . A 22 VAL HG13 . 34628 1 434 . 2 . 2 25 25 VAL HG21 H 1 1.26 0.02 . 2 . . . . A 22 VAL HG21 . 34628 1 435 . 2 . 2 25 25 VAL HG22 H 1 1.26 0.02 . 2 . . . . A 22 VAL HG22 . 34628 1 436 . 2 . 2 25 25 VAL HG23 H 1 1.26 0.02 . 2 . . . . A 22 VAL HG23 . 34628 1 437 . 2 . 2 25 25 VAL CA C 13 59.00 0.2 . 1 . . . . A 22 VAL CA . 34628 1 438 . 2 . 2 25 25 VAL CB C 13 37.46 0.2 . 1 . . . . A 22 VAL CB . 34628 1 439 . 2 . 2 25 25 VAL CG1 C 13 23.12 0.2 . 2 . . . . A 22 VAL CG1 . 34628 1 440 . 2 . 2 25 25 VAL CG2 C 13 20.92 0.2 . 2 . . . . A 22 VAL CG2 . 34628 1 441 . 2 . 2 25 25 VAL N N 15 120.24 0.2 . 1 . . . . A 22 VAL N . 34628 1 442 . 2 . 2 26 26 ASN H H 1 9.25 0.02 . 1 . . . . A 23 ASN H . 34628 1 443 . 2 . 2 26 26 ASN HA H 1 5.46 0.02 . 1 . . . . A 23 ASN HA . 34628 1 444 . 2 . 2 26 26 ASN HB2 H 1 2.82 0.02 . 2 . . . . A 23 ASN HB2 . 34628 1 445 . 2 . 2 26 26 ASN HB3 H 1 2.54 0.02 . 2 . . . . A 23 ASN HB3 . 34628 1 446 . 2 . 2 26 26 ASN HD21 H 1 7.55 0.02 . 1 . . . . A 23 ASN HD21 . 34628 1 447 . 2 . 2 26 26 ASN HD22 H 1 6.81 0.02 . 1 . . . . A 23 ASN HD22 . 34628 1 448 . 2 . 2 26 26 ASN CA C 13 51.67 0.2 . 1 . . . . A 23 ASN CA . 34628 1 449 . 2 . 2 26 26 ASN CB C 13 42.48 0.2 . 1 . . . . A 23 ASN CB . 34628 1 450 . 2 . 2 26 26 ASN CG C 13 177.34 0.2 . 1 . . . . A 23 ASN CG . 34628 1 451 . 2 . 2 26 26 ASN N N 15 120.20 0.2 . 1 . . . . A 23 ASN N . 34628 1 452 . 2 . 2 26 26 ASN ND2 N 15 112.84 0.2 . 1 . . . . A 23 ASN ND2 . 34628 1 453 . 2 . 2 27 27 GLU H H 1 9.16 0.02 . 1 . . . . A 24 GLU H . 34628 1 454 . 2 . 2 27 27 GLU HA H 1 3.33 0.02 . 1 . . . . A 24 GLU HA . 34628 1 455 . 2 . 2 27 27 GLU HB2 H 1 1.89 0.02 . 2 . . . . A 24 GLU HB2 . 34628 1 456 . 2 . 2 27 27 GLU HB3 H 1 1.80 0.02 . 2 . . . . A 24 GLU HB3 . 34628 1 457 . 2 . 2 27 27 GLU HG2 H 1 2.18 0.02 . 2 . . . . A 24 GLU HG2 . 34628 1 458 . 2 . 2 27 27 GLU HG3 H 1 1.95 0.02 . 2 . . . . A 24 GLU HG3 . 34628 1 459 . 2 . 2 27 27 GLU CA C 13 58.56 0.2 . 1 . . . . A 24 GLU CA . 34628 1 460 . 2 . 2 27 27 GLU CB C 13 29.29 0.2 . 1 . . . . A 24 GLU CB . 34628 1 461 . 2 . 2 27 27 GLU CG C 13 35.32 0.2 . 1 . . . . A 24 GLU CG . 34628 1 462 . 2 . 2 27 27 GLU CD C 13 183.14 0.2 . 1 . . . . A 24 GLU CD . 34628 1 463 . 2 . 2 27 27 GLU N N 15 121.11 0.2 . 1 . . . . A 24 GLU N . 34628 1 464 . 2 . 2 28 28 GLY H H 1 9.17 0.02 . 1 . . . . A 25 GLY H . 34628 1 465 . 2 . 2 28 28 GLY HA2 H 1 4.40 0.02 . 2 . . . . A 25 GLY HA2 . 34628 1 466 . 2 . 2 28 28 GLY HA3 H 1 3.49 0.02 . 2 . . . . A 25 GLY HA3 . 34628 1 467 . 2 . 2 28 28 GLY CA C 13 44.95 0.2 . 1 . . . . A 25 GLY CA . 34628 1 468 . 2 . 2 28 28 GLY N N 15 115.57 0.2 . 1 . . . . A 25 GLY N . 34628 1 469 . 2 . 2 29 29 GLU H H 1 8.23 0.02 . 1 . . . . A 26 GLU H . 34628 1 470 . 2 . 2 29 29 GLU HA H 1 4.28 0.02 . 1 . . . . A 26 GLU HA . 34628 1 471 . 2 . 2 29 29 GLU HB2 H 1 2.35 0.02 . 2 . . . . A 26 GLU HB2 . 34628 1 472 . 2 . 2 29 29 GLU HB3 H 1 2.09 0.02 . 2 . . . . A 26 GLU HB3 . 34628 1 473 . 2 . 2 29 29 GLU HG2 H 1 2.41 0.02 . 2 . . . . A 26 GLU HG2 . 34628 1 474 . 2 . 2 29 29 GLU HG3 H 1 2.36 0.02 . 2 . . . . A 26 GLU HG3 . 34628 1 475 . 2 . 2 29 29 GLU CA C 13 57.33 0.2 . 1 . . . . A 26 GLU CA . 34628 1 476 . 2 . 2 29 29 GLU CB C 13 31.83 0.2 . 1 . . . . A 26 GLU CB . 34628 1 477 . 2 . 2 29 29 GLU CG C 13 37.19 0.2 . 1 . . . . A 26 GLU CG . 34628 1 478 . 2 . 2 29 29 GLU CD C 13 183.34 0.2 . 1 . . . . A 26 GLU CD . 34628 1 479 . 2 . 2 29 29 GLU N N 15 122.32 0.2 . 1 . . . . A 26 GLU N . 34628 1 480 . 2 . 2 30 30 ILE H H 1 8.44 0.02 . 1 . . . . A 27 ILE H . 34628 1 481 . 2 . 2 30 30 ILE HA H 1 5.21 0.02 . 1 . . . . A 27 ILE HA . 34628 1 482 . 2 . 2 30 30 ILE HB H 1 1.94 0.02 . 1 . . . . A 27 ILE HB . 34628 1 483 . 2 . 2 30 30 ILE HG12 H 1 1.55 0.02 . 2 . . . . A 27 ILE HG12 . 34628 1 484 . 2 . 2 30 30 ILE HG13 H 1 1.40 0.02 . 2 . . . . A 27 ILE HG13 . 34628 1 485 . 2 . 2 30 30 ILE HG21 H 1 0.86 0.02 . 1 . . . . A 27 ILE HG21 . 34628 1 486 . 2 . 2 30 30 ILE HG22 H 1 0.86 0.02 . 1 . . . . A 27 ILE HG22 . 34628 1 487 . 2 . 2 30 30 ILE HG23 H 1 0.86 0.02 . 1 . . . . A 27 ILE HG23 . 34628 1 488 . 2 . 2 30 30 ILE HD11 H 1 0.81 0.02 . 1 . . . . A 27 ILE HD11 . 34628 1 489 . 2 . 2 30 30 ILE HD12 H 1 0.81 0.02 . 1 . . . . A 27 ILE HD12 . 34628 1 490 . 2 . 2 30 30 ILE HD13 H 1 0.81 0.02 . 1 . . . . A 27 ILE HD13 . 34628 1 491 . 2 . 2 30 30 ILE CA C 13 58.72 0.2 . 1 . . . . A 27 ILE CA . 34628 1 492 . 2 . 2 30 30 ILE CB C 13 37.56 0.2 . 1 . . . . A 27 ILE CB . 34628 1 493 . 2 . 2 30 30 ILE CG1 C 13 27.26 0.2 . 1 . . . . A 27 ILE CG1 . 34628 1 494 . 2 . 2 30 30 ILE CG2 C 13 17.64 0.2 . 1 . . . . A 27 ILE CG2 . 34628 1 495 . 2 . 2 30 30 ILE CD1 C 13 10.84 0.2 . 1 . . . . A 27 ILE CD1 . 34628 1 496 . 2 . 2 30 30 ILE N N 15 122.39 0.2 . 1 . . . . A 27 ILE N . 34628 1 497 . 2 . 2 31 31 ILE H H 1 9.17 0.02 . 1 . . . . A 28 ILE H . 34628 1 498 . 2 . 2 31 31 ILE HA H 1 4.97 0.02 . 1 . . . . A 28 ILE HA . 34628 1 499 . 2 . 2 31 31 ILE HB H 1 1.71 0.02 . 1 . . . . A 28 ILE HB . 34628 1 500 . 2 . 2 31 31 ILE HG12 H 1 1.22 0.02 . 2 . . . . A 28 ILE HG12 . 34628 1 501 . 2 . 2 31 31 ILE HG13 H 1 0.92 0.02 . 2 . . . . A 28 ILE HG13 . 34628 1 502 . 2 . 2 31 31 ILE HG21 H 1 0.78 0.02 . 1 . . . . A 28 ILE HG21 . 34628 1 503 . 2 . 2 31 31 ILE HG22 H 1 0.78 0.02 . 1 . . . . A 28 ILE HG22 . 34628 1 504 . 2 . 2 31 31 ILE HG23 H 1 0.78 0.02 . 1 . . . . A 28 ILE HG23 . 34628 1 505 . 2 . 2 31 31 ILE HD11 H 1 0.61 0.02 . 1 . . . . A 28 ILE HD11 . 34628 1 506 . 2 . 2 31 31 ILE HD12 H 1 0.61 0.02 . 1 . . . . A 28 ILE HD12 . 34628 1 507 . 2 . 2 31 31 ILE HD13 H 1 0.61 0.02 . 1 . . . . A 28 ILE HD13 . 34628 1 508 . 2 . 2 31 31 ILE CA C 13 58.91 0.2 . 1 . . . . A 28 ILE CA . 34628 1 509 . 2 . 2 31 31 ILE CB C 13 41.61 0.2 . 1 . . . . A 28 ILE CB . 34628 1 510 . 2 . 2 31 31 ILE CG1 C 13 25.21 0.2 . 1 . . . . A 28 ILE CG1 . 34628 1 511 . 2 . 2 31 31 ILE CG2 C 13 17.54 0.2 . 1 . . . . A 28 ILE CG2 . 34628 1 512 . 2 . 2 31 31 ILE CD1 C 13 14.48 0.2 . 1 . . . . A 28 ILE CD1 . 34628 1 513 . 2 . 2 31 31 ILE N N 15 121.59 0.2 . 1 . . . . A 28 ILE N . 34628 1 514 . 2 . 2 32 32 THR H H 1 8.66 0.02 . 1 . . . . A 29 THR H . 34628 1 515 . 2 . 2 32 32 THR HA H 1 4.87 0.02 . 1 . . . . A 29 THR HA . 34628 1 516 . 2 . 2 32 32 THR HB H 1 3.91 0.02 . 1 . . . . A 29 THR HB . 34628 1 517 . 2 . 2 32 32 THR HG21 H 1 1.12 0.02 . 1 . . . . A 29 THR HG21 . 34628 1 518 . 2 . 2 32 32 THR HG22 H 1 1.12 0.02 . 1 . . . . A 29 THR HG22 . 34628 1 519 . 2 . 2 32 32 THR HG23 H 1 1.12 0.02 . 1 . . . . A 29 THR HG23 . 34628 1 520 . 2 . 2 32 32 THR CA C 13 61.96 0.2 . 1 . . . . A 29 THR CA . 34628 1 521 . 2 . 2 32 32 THR CB C 13 70.36 0.2 . 1 . . . . A 29 THR CB . 34628 1 522 . 2 . 2 32 32 THR CG2 C 13 21.71 0.2 . 1 . . . . A 29 THR CG2 . 34628 1 523 . 2 . 2 32 32 THR N N 15 116.13 0.2 . 1 . . . . A 29 THR N . 34628 1 524 . 2 . 2 33 33 ILE H H 1 8.99 0.02 . 1 . . . . A 30 ILE H . 34628 1 525 . 2 . 2 33 33 ILE HA H 1 4.42 0.02 . 1 . . . . A 30 ILE HA . 34628 1 526 . 2 . 2 33 33 ILE HB H 1 1.93 0.02 . 1 . . . . A 30 ILE HB . 34628 1 527 . 2 . 2 33 33 ILE HG12 H 1 1.29 0.02 . 2 . . . . A 30 ILE HG12 . 34628 1 528 . 2 . 2 33 33 ILE HG13 H 1 1.14 0.02 . 2 . . . . A 30 ILE HG13 . 34628 1 529 . 2 . 2 33 33 ILE HG21 H 1 0.85 0.02 . 1 . . . . A 30 ILE HG21 . 34628 1 530 . 2 . 2 33 33 ILE HG22 H 1 0.85 0.02 . 1 . . . . A 30 ILE HG22 . 34628 1 531 . 2 . 2 33 33 ILE HG23 H 1 0.85 0.02 . 1 . . . . A 30 ILE HG23 . 34628 1 532 . 2 . 2 33 33 ILE HD11 H 1 0.66 0.02 . 1 . . . . A 30 ILE HD11 . 34628 1 533 . 2 . 2 33 33 ILE HD12 H 1 0.66 0.02 . 1 . . . . A 30 ILE HD12 . 34628 1 534 . 2 . 2 33 33 ILE HD13 H 1 0.66 0.02 . 1 . . . . A 30 ILE HD13 . 34628 1 535 . 2 . 2 33 33 ILE CA C 13 59.90 0.2 . 1 . . . . A 30 ILE CA . 34628 1 536 . 2 . 2 33 33 ILE CB C 13 36.90 0.2 . 1 . . . . A 30 ILE CB . 34628 1 537 . 2 . 2 33 33 ILE CG1 C 13 26.68 0.2 . 1 . . . . A 30 ILE CG1 . 34628 1 538 . 2 . 2 33 33 ILE CG2 C 13 17.45 0.2 . 1 . . . . A 30 ILE CG2 . 34628 1 539 . 2 . 2 33 33 ILE CD1 C 13 12.06 0.2 . 1 . . . . A 30 ILE CD1 . 34628 1 540 . 2 . 2 33 33 ILE N N 15 126.18 0.2 . 1 . . . . A 30 ILE N . 34628 1 541 . 2 . 2 34 34 THR H H 1 8.87 0.02 . 1 . . . . A 31 THR H . 34628 1 542 . 2 . 2 34 34 THR HA H 1 4.40 0.02 . 1 . . . . A 31 THR HA . 34628 1 543 . 2 . 2 34 34 THR HB H 1 4.16 0.02 . 1 . . . . A 31 THR HB . 34628 1 544 . 2 . 2 34 34 THR HG21 H 1 1.00 0.02 . 1 . . . . A 31 THR HG21 . 34628 1 545 . 2 . 2 34 34 THR HG22 H 1 1.00 0.02 . 1 . . . . A 31 THR HG22 . 34628 1 546 . 2 . 2 34 34 THR HG23 H 1 1.00 0.02 . 1 . . . . A 31 THR HG23 . 34628 1 547 . 2 . 2 34 34 THR CA C 13 62.72 0.2 . 1 . . . . A 31 THR CA . 34628 1 548 . 2 . 2 34 34 THR CB C 13 67.98 0.2 . 1 . . . . A 31 THR CB . 34628 1 549 . 2 . 2 34 34 THR CG2 C 13 23.19 0.2 . 1 . . . . A 31 THR CG2 . 34628 1 550 . 2 . 2 34 34 THR N N 15 121.02 0.2 . 1 . . . . A 31 THR N . 34628 1 551 . 2 . 2 35 35 ASN H H 1 7.40 0.02 . 1 . . . . A 32 ASN H . 34628 1 552 . 2 . 2 35 35 ASN HA H 1 4.99 0.02 . 1 . . . . A 32 ASN HA . 34628 1 553 . 2 . 2 35 35 ASN HB2 H 1 2.79 0.02 . 1 . . . . A 32 ASN HB2 . 34628 1 554 . 2 . 2 35 35 ASN HB3 H 1 2.79 0.02 . 1 . . . . A 32 ASN HB3 . 34628 1 555 . 2 . 2 35 35 ASN HD21 H 1 7.71 0.02 . 1 . . . . A 32 ASN HD21 . 34628 1 556 . 2 . 2 35 35 ASN HD22 H 1 6.91 0.02 . 1 . . . . A 32 ASN HD22 . 34628 1 557 . 2 . 2 35 35 ASN CA C 13 51.50 0.2 . 1 . . . . A 32 ASN CA . 34628 1 558 . 2 . 2 35 35 ASN CB C 13 40.25 0.2 . 1 . . . . A 32 ASN CB . 34628 1 559 . 2 . 2 35 35 ASN CG C 13 176.83 0.2 . 1 . . . . A 32 ASN CG . 34628 1 560 . 2 . 2 35 35 ASN N N 15 117.57 0.2 . 1 . . . . A 32 ASN N . 34628 1 561 . 2 . 2 35 35 ASN ND2 N 15 111.52 0.2 . 1 . . . . A 32 ASN ND2 . 34628 1 562 . 2 . 2 36 36 PRO HA H 1 4.44 0.02 . 1 . . . . A 33 PRO HA . 34628 1 563 . 2 . 2 36 36 PRO HB2 H 1 2.18 0.02 . 2 . . . . A 33 PRO HB2 . 34628 1 564 . 2 . 2 36 36 PRO HB3 H 1 2.15 0.02 . 2 . . . . A 33 PRO HB3 . 34628 1 565 . 2 . 2 36 36 PRO HG2 H 1 2.00 0.02 . 1 . . . . A 33 PRO HG2 . 34628 1 566 . 2 . 2 36 36 PRO HG3 H 1 2.00 0.02 . 1 . . . . A 33 PRO HG3 . 34628 1 567 . 2 . 2 36 36 PRO HD2 H 1 3.89 0.02 . 2 . . . . A 33 PRO HD2 . 34628 1 568 . 2 . 2 36 36 PRO HD3 H 1 3.60 0.02 . 2 . . . . A 33 PRO HD3 . 34628 1 569 . 2 . 2 36 36 PRO CA C 13 63.73 0.2 . 1 . . . . A 33 PRO CA . 34628 1 570 . 2 . 2 36 36 PRO CB C 13 32.53 0.2 . 1 . . . . A 33 PRO CB . 34628 1 571 . 2 . 2 36 36 PRO CG C 13 26.20 0.2 . 1 . . . . A 33 PRO CG . 34628 1 572 . 2 . 2 36 36 PRO CD C 13 50.73 0.2 . 1 . . . . A 33 PRO CD . 34628 1 573 . 2 . 2 37 37 ASP H H 1 7.95 0.02 . 1 . . . . A 34 ASP H . 34628 1 574 . 2 . 2 37 37 ASP HA H 1 4.85 0.02 . 1 . . . . A 34 ASP HA . 34628 1 575 . 2 . 2 37 37 ASP HB2 H 1 2.79 0.02 . 2 . . . . A 34 ASP HB2 . 34628 1 576 . 2 . 2 37 37 ASP HB3 H 1 2.64 0.02 . 2 . . . . A 34 ASP HB3 . 34628 1 577 . 2 . 2 37 37 ASP CA C 13 54.60 0.2 . 1 . . . . A 34 ASP CA . 34628 1 578 . 2 . 2 37 37 ASP CB C 13 41.26 0.2 . 1 . . . . A 34 ASP CB . 34628 1 579 . 2 . 2 37 37 ASP N N 15 117.86 0.2 . 1 . . . . A 34 ASP N . 34628 1 580 . 2 . 2 38 38 VAL H H 1 7.73 0.02 . 1 . . . . A 35 VAL H . 34628 1 581 . 2 . 2 38 38 VAL HA H 1 4.03 0.02 . 1 . . . . A 35 VAL HA . 34628 1 582 . 2 . 2 38 38 VAL HB H 1 2.16 0.02 . 1 . . . . A 35 VAL HB . 34628 1 583 . 2 . 2 38 38 VAL HG11 H 1 0.87 0.02 . 2 . . . . A 35 VAL HG11 . 34628 1 584 . 2 . 2 38 38 VAL HG12 H 1 0.87 0.02 . 2 . . . . A 35 VAL HG12 . 34628 1 585 . 2 . 2 38 38 VAL HG13 H 1 0.87 0.02 . 2 . . . . A 35 VAL HG13 . 34628 1 586 . 2 . 2 38 38 VAL HG21 H 1 0.92 0.02 . 2 . . . . A 35 VAL HG21 . 34628 1 587 . 2 . 2 38 38 VAL HG22 H 1 0.92 0.02 . 2 . . . . A 35 VAL HG22 . 34628 1 588 . 2 . 2 38 38 VAL HG23 H 1 0.92 0.02 . 2 . . . . A 35 VAL HG23 . 34628 1 589 . 2 . 2 38 38 VAL CA C 13 63.06 0.2 . 1 . . . . A 35 VAL CA . 34628 1 590 . 2 . 2 38 38 VAL CB C 13 32.03 0.2 . 1 . . . . A 35 VAL CB . 34628 1 591 . 2 . 2 38 38 VAL CG1 C 13 21.86 0.2 . 2 . . . . A 35 VAL CG1 . 34628 1 592 . 2 . 2 38 38 VAL CG2 C 13 21.71 0.2 . 2 . . . . A 35 VAL CG2 . 34628 1 593 . 2 . 2 38 38 VAL N N 15 120.54 0.2 . 1 . . . . A 35 VAL N . 34628 1 594 . 2 . 2 39 39 GLY H H 1 8.22 0.02 . 1 . . . . A 36 GLY H . 34628 1 595 . 2 . 2 39 39 GLY HA2 H 1 3.90 0.02 . 2 . . . . A 36 GLY HA2 . 34628 1 596 . 2 . 2 39 39 GLY HA3 H 1 4.48 0.02 . 2 . . . . A 36 GLY HA3 . 34628 1 597 . 2 . 2 39 39 GLY CA C 13 44.17 0.2 . 1 . . . . A 36 GLY CA . 34628 1 598 . 2 . 2 39 39 GLY N N 15 109.53 0.2 . 1 . . . . A 36 GLY N . 34628 1 599 . 2 . 2 40 40 GLY H H 1 8.54 0.02 . 1 . . . . A 37 GLY H . 34628 1 600 . 2 . 2 40 40 GLY HA2 H 1 4.09 0.02 . 2 . . . . A 37 GLY HA2 . 34628 1 601 . 2 . 2 40 40 GLY HA3 H 1 3.93 0.02 . 2 . . . . A 37 GLY HA3 . 34628 1 602 . 2 . 2 40 40 GLY CA C 13 47.17 0.2 . 1 . . . . A 37 GLY CA . 34628 1 603 . 2 . 2 40 40 GLY N N 15 105.76 0.2 . 1 . . . . A 37 GLY N . 34628 1 604 . 2 . 2 41 41 GLY H H 1 8.62 0.02 . 1 . . . . A 38 GLY H . 34628 1 605 . 2 . 2 41 41 GLY HA2 H 1 3.62 0.02 . 2 . . . . A 38 GLY HA2 . 34628 1 606 . 2 . 2 41 41 GLY HA3 H 1 4.03 0.02 . 2 . . . . A 38 GLY HA3 . 34628 1 607 . 2 . 2 41 41 GLY CA C 13 44.98 0.2 . 1 . . . . A 38 GLY CA . 34628 1 608 . 2 . 2 41 41 GLY N N 15 105.97 0.2 . 1 . . . . A 38 GLY N . 34628 1 609 . 2 . 2 42 42 TRP H H 1 7.45 0.02 . 1 . . . . A 39 TRP H . 34628 1 610 . 2 . 2 42 42 TRP HA H 1 5.01 0.02 . 1 . . . . A 39 TRP HA . 34628 1 611 . 2 . 2 42 42 TRP HB2 H 1 3.14 0.02 . 2 . . . . A 39 TRP HB2 . 34628 1 612 . 2 . 2 42 42 TRP HB3 H 1 3.09 0.02 . 2 . . . . A 39 TRP HB3 . 34628 1 613 . 2 . 2 42 42 TRP HD1 H 1 7.37 0.02 . 1 . . . . A 39 TRP HD1 . 34628 1 614 . 2 . 2 42 42 TRP HE1 H 1 10.44 0.02 . 1 . . . . A 39 TRP HE1 . 34628 1 615 . 2 . 2 42 42 TRP HE3 H 1 7.11 0.02 . 1 . . . . A 39 TRP HE3 . 34628 1 616 . 2 . 2 42 42 TRP HZ2 H 1 7.23 0.02 . 1 . . . . A 39 TRP HZ2 . 34628 1 617 . 2 . 2 42 42 TRP HZ3 H 1 6.46 0.02 . 1 . . . . A 39 TRP HZ3 . 34628 1 618 . 2 . 2 42 42 TRP HH2 H 1 7.05 0.02 . 1 . . . . A 39 TRP HH2 . 34628 1 619 . 2 . 2 42 42 TRP CA C 13 56.46 0.2 . 1 . . . . A 39 TRP CA . 34628 1 620 . 2 . 2 42 42 TRP CB C 13 33.34 0.2 . 1 . . . . A 39 TRP CB . 34628 1 621 . 2 . 2 42 42 TRP CD1 C 13 129.54 0.2 . 1 . . . . A 39 TRP CD1 . 34628 1 622 . 2 . 2 42 42 TRP CE3 C 13 120.50 0.2 . 1 . . . . A 39 TRP CE3 . 34628 1 623 . 2 . 2 42 42 TRP CZ2 C 13 114.77 0.2 . 1 . . . . A 39 TRP CZ2 . 34628 1 624 . 2 . 2 42 42 TRP CZ3 C 13 120.36 0.2 . 1 . . . . A 39 TRP CZ3 . 34628 1 625 . 2 . 2 42 42 TRP CH2 C 13 123.43 0.2 . 1 . . . . A 39 TRP CH2 . 34628 1 626 . 2 . 2 42 42 TRP N N 15 120.53 0.2 . 1 . . . . A 39 TRP N . 34628 1 627 . 2 . 2 42 42 TRP NE1 N 15 129.48 0.2 . 1 . . . . A 39 TRP NE1 . 34628 1 628 . 2 . 2 43 43 LEU H H 1 9.21 0.02 . 1 . . . . A 40 LEU H . 34628 1 629 . 2 . 2 43 43 LEU HA H 1 4.68 0.02 . 1 . . . . A 40 LEU HA . 34628 1 630 . 2 . 2 43 43 LEU HB2 H 1 1.87 0.02 . 1 . . . . A 40 LEU HB2 . 34628 1 631 . 2 . 2 43 43 LEU HB3 H 1 1.87 0.02 . 1 . . . . A 40 LEU HB3 . 34628 1 632 . 2 . 2 43 43 LEU HG H 1 1.87 0.02 . 1 . . . . A 40 LEU HG . 34628 1 633 . 2 . 2 43 43 LEU HD11 H 1 0.67 0.02 . 2 . . . . A 40 LEU HD11 . 34628 1 634 . 2 . 2 43 43 LEU HD12 H 1 0.67 0.02 . 2 . . . . A 40 LEU HD12 . 34628 1 635 . 2 . 2 43 43 LEU HD13 H 1 0.67 0.02 . 2 . . . . A 40 LEU HD13 . 34628 1 636 . 2 . 2 43 43 LEU HD21 H 1 0.84 0.02 . 2 . . . . A 40 LEU HD21 . 34628 1 637 . 2 . 2 43 43 LEU HD22 H 1 0.84 0.02 . 2 . . . . A 40 LEU HD22 . 34628 1 638 . 2 . 2 43 43 LEU HD23 H 1 0.84 0.02 . 2 . . . . A 40 LEU HD23 . 34628 1 639 . 2 . 2 43 43 LEU CA C 13 53.79 0.2 . 1 . . . . A 40 LEU CA . 34628 1 640 . 2 . 2 43 43 LEU CB C 13 44.32 0.2 . 1 . . . . A 40 LEU CB . 34628 1 641 . 2 . 2 43 43 LEU CG C 13 25.34 0.2 . 1 . . . . A 40 LEU CG . 34628 1 642 . 2 . 2 43 43 LEU CD1 C 13 24.65 0.2 . 2 . . . . A 40 LEU CD1 . 34628 1 643 . 2 . 2 43 43 LEU CD2 C 13 27.19 0.2 . 2 . . . . A 40 LEU CD2 . 34628 1 644 . 2 . 2 43 43 LEU N N 15 118.40 0.2 . 1 . . . . A 40 LEU N . 34628 1 645 . 2 . 2 44 44 GLU H H 1 8.76 0.02 . 1 . . . . A 41 GLU H . 34628 1 646 . 2 . 2 44 44 GLU HA H 1 4.88 0.02 . 1 . . . . A 41 GLU HA . 34628 1 647 . 2 . 2 44 44 GLU HB2 H 1 2.10 0.02 . 2 . . . . A 41 GLU HB2 . 34628 1 648 . 2 . 2 44 44 GLU HB3 H 1 1.71 0.02 . 2 . . . . A 41 GLU HB3 . 34628 1 649 . 2 . 2 44 44 GLU HG2 H 1 2.10 0.02 . 2 . . . . A 41 GLU HG2 . 34628 1 650 . 2 . 2 44 44 GLU HG3 H 1 1.95 0.02 . 2 . . . . A 41 GLU HG3 . 34628 1 651 . 2 . 2 44 44 GLU CA C 13 55.38 0.2 . 1 . . . . A 41 GLU CA . 34628 1 652 . 2 . 2 44 44 GLU CB C 13 33.37 0.2 . 1 . . . . A 41 GLU CB . 34628 1 653 . 2 . 2 44 44 GLU CG C 13 37.72 0.2 . 1 . . . . A 41 GLU CG . 34628 1 654 . 2 . 2 44 44 GLU CD C 13 182.83 0.2 . 1 . . . . A 41 GLU CD . 34628 1 655 . 2 . 2 44 44 GLU N N 15 120.67 0.2 . 1 . . . . A 41 GLU N . 34628 1 656 . 2 . 2 45 45 GLY H H 1 9.06 0.02 . 1 . . . . A 42 GLY H . 34628 1 657 . 2 . 2 45 45 GLY HA2 H 1 5.36 0.02 . 2 . . . . A 42 GLY HA2 . 34628 1 658 . 2 . 2 45 45 GLY HA3 H 1 3.33 0.02 . 2 . . . . A 42 GLY HA3 . 34628 1 659 . 2 . 2 45 45 GLY CA C 13 44.16 0.2 . 1 . . . . A 42 GLY CA . 34628 1 660 . 2 . 2 45 45 GLY N N 15 113.98 0.2 . 1 . . . . A 42 GLY N . 34628 1 661 . 2 . 2 46 46 ARG H H 1 8.93 0.02 . 1 . . . . A 43 ARG H . 34628 1 662 . 2 . 2 46 46 ARG HA H 1 5.65 0.02 . 1 . . . . A 43 ARG HA . 34628 1 663 . 2 . 2 46 46 ARG HB2 H 1 1.63 0.02 . 2 . . . . A 43 ARG HB2 . 34628 1 664 . 2 . 2 46 46 ARG HB3 H 1 1.48 0.02 . 2 . . . . A 43 ARG HB3 . 34628 1 665 . 2 . 2 46 46 ARG HG2 H 1 1.76 0.02 . 2 . . . . A 43 ARG HG2 . 34628 1 666 . 2 . 2 46 46 ARG HG3 H 1 1.36 0.02 . 2 . . . . A 43 ARG HG3 . 34628 1 667 . 2 . 2 46 46 ARG HD2 H 1 3.12 0.02 . 2 . . . . A 43 ARG HD2 . 34628 1 668 . 2 . 2 46 46 ARG HD3 H 1 3.09 0.02 . 2 . . . . A 43 ARG HD3 . 34628 1 669 . 2 . 2 46 46 ARG CA C 13 53.97 0.2 . 1 . . . . A 43 ARG CA . 34628 1 670 . 2 . 2 46 46 ARG CB C 13 34.67 0.2 . 1 . . . . A 43 ARG CB . 34628 1 671 . 2 . 2 46 46 ARG CG C 13 27.07 0.2 . 1 . . . . A 43 ARG CG . 34628 1 672 . 2 . 2 46 46 ARG CD C 13 43.92 0.2 . 1 . . . . A 43 ARG CD . 34628 1 673 . 2 . 2 46 46 ARG N N 15 117.66 0.2 . 1 . . . . A 43 ARG N . 34628 1 674 . 2 . 2 47 47 ASN H H 1 8.77 0.02 . 1 . . . . A 44 ASN H . 34628 1 675 . 2 . 2 47 47 ASN HA H 1 5.06 0.02 . 1 . . . . A 44 ASN HA . 34628 1 676 . 2 . 2 47 47 ASN HB2 H 1 3.83 0.02 . 2 . . . . A 44 ASN HB2 . 34628 1 677 . 2 . 2 47 47 ASN HB3 H 1 2.90 0.02 . 2 . . . . A 44 ASN HB3 . 34628 1 678 . 2 . 2 47 47 ASN HD21 H 1 7.84 0.02 . 1 . . . . A 44 ASN HD21 . 34628 1 679 . 2 . 2 47 47 ASN HD22 H 1 9.08 0.02 . 1 . . . . A 44 ASN HD22 . 34628 1 680 . 2 . 2 47 47 ASN CA C 13 51.41 0.2 . 1 . . . . A 44 ASN CA . 34628 1 681 . 2 . 2 47 47 ASN CB C 13 39.82 0.2 . 1 . . . . A 44 ASN CB . 34628 1 682 . 2 . 2 47 47 ASN CG C 13 176.44 0.2 . 1 . . . . A 44 ASN CG . 34628 1 683 . 2 . 2 47 47 ASN N N 15 125.05 0.2 . 1 . . . . A 44 ASN N . 34628 1 684 . 2 . 2 47 47 ASN ND2 N 15 115.15 0.2 . 1 . . . . A 44 ASN ND2 . 34628 1 685 . 2 . 2 48 48 ILE H H 1 9.12 0.02 . 1 . . . . A 45 ILE H . 34628 1 686 . 2 . 2 48 48 ILE HA H 1 4.14 0.02 . 1 . . . . A 45 ILE HA . 34628 1 687 . 2 . 2 48 48 ILE HB H 1 2.11 0.02 . 1 . . . . A 45 ILE HB . 34628 1 688 . 2 . 2 48 48 ILE HG12 H 1 1.53 0.02 . 2 . . . . A 45 ILE HG12 . 34628 1 689 . 2 . 2 48 48 ILE HG13 H 1 1.46 0.02 . 2 . . . . A 45 ILE HG13 . 34628 1 690 . 2 . 2 48 48 ILE HG21 H 1 1.07 0.02 . 1 . . . . A 45 ILE HG21 . 34628 1 691 . 2 . 2 48 48 ILE HG22 H 1 1.07 0.02 . 1 . . . . A 45 ILE HG22 . 34628 1 692 . 2 . 2 48 48 ILE HG23 H 1 1.07 0.02 . 1 . . . . A 45 ILE HG23 . 34628 1 693 . 2 . 2 48 48 ILE HD11 H 1 0.98 0.02 . 1 . . . . A 45 ILE HD11 . 34628 1 694 . 2 . 2 48 48 ILE HD12 H 1 0.98 0.02 . 1 . . . . A 45 ILE HD12 . 34628 1 695 . 2 . 2 48 48 ILE HD13 H 1 0.98 0.02 . 1 . . . . A 45 ILE HD13 . 34628 1 696 . 2 . 2 48 48 ILE CA C 13 63.46 0.2 . 1 . . . . A 45 ILE CA . 34628 1 697 . 2 . 2 48 48 ILE CB C 13 38.57 0.2 . 1 . . . . A 45 ILE CB . 34628 1 698 . 2 . 2 48 48 ILE CG1 C 13 28.30 0.2 . 1 . . . . A 45 ILE CG1 . 34628 1 699 . 2 . 2 48 48 ILE CG2 C 13 17.87 0.2 . 1 . . . . A 45 ILE CG2 . 34628 1 700 . 2 . 2 48 48 ILE CD1 C 13 14.10 0.2 . 1 . . . . A 45 ILE CD1 . 34628 1 701 . 2 . 2 48 48 ILE N N 15 118.37 0.2 . 1 . . . . A 45 ILE N . 34628 1 702 . 2 . 2 49 49 LYS H H 1 7.32 0.02 . 1 . . . . A 46 LYS H . 34628 1 703 . 2 . 2 49 49 LYS HA H 1 4.32 0.02 . 1 . . . . A 46 LYS HA . 34628 1 704 . 2 . 2 49 49 LYS HB2 H 1 1.82 0.02 . 2 . . . . A 46 LYS HB2 . 34628 1 705 . 2 . 2 49 49 LYS HB3 H 1 2.03 0.02 . 2 . . . . A 46 LYS HB3 . 34628 1 706 . 2 . 2 49 49 LYS HG2 H 1 1.46 0.02 . 1 . . . . A 46 LYS HG2 . 34628 1 707 . 2 . 2 49 49 LYS HG3 H 1 1.46 0.02 . 1 . . . . A 46 LYS HG3 . 34628 1 708 . 2 . 2 49 49 LYS HD2 H 1 1.70 0.02 . 2 . . . . A 46 LYS HD2 . 34628 1 709 . 2 . 2 49 49 LYS HD3 H 1 1.68 0.02 . 2 . . . . A 46 LYS HD3 . 34628 1 710 . 2 . 2 49 49 LYS HE2 H 1 2.98 0.02 . 1 . . . . A 46 LYS HE2 . 34628 1 711 . 2 . 2 49 49 LYS HE3 H 1 2.98 0.02 . 1 . . . . A 46 LYS HE3 . 34628 1 712 . 2 . 2 49 49 LYS CA C 13 56.50 0.2 . 1 . . . . A 46 LYS CA . 34628 1 713 . 2 . 2 49 49 LYS CB C 13 32.55 0.2 . 1 . . . . A 46 LYS CB . 34628 1 714 . 2 . 2 49 49 LYS CG C 13 25.48 0.2 . 1 . . . . A 46 LYS CG . 34628 1 715 . 2 . 2 49 49 LYS CD C 13 29.29 0.2 . 1 . . . . A 46 LYS CD . 34628 1 716 . 2 . 2 49 49 LYS CE C 13 42.04 0.2 . 1 . . . . A 46 LYS CE . 34628 1 717 . 2 . 2 49 49 LYS N N 15 119.86 0.2 . 1 . . . . A 46 LYS N . 34628 1 718 . 2 . 2 50 50 GLY H H 1 8.19 0.02 . 1 . . . . A 47 GLY H . 34628 1 719 . 2 . 2 50 50 GLY HA2 H 1 4.32 0.02 . 2 . . . . A 47 GLY HA2 . 34628 1 720 . 2 . 2 50 50 GLY HA3 H 1 3.49 0.02 . 2 . . . . A 47 GLY HA3 . 34628 1 721 . 2 . 2 50 50 GLY CA C 13 45.03 0.2 . 1 . . . . A 47 GLY CA . 34628 1 722 . 2 . 2 50 50 GLY N N 15 107.38 0.2 . 1 . . . . A 47 GLY N . 34628 1 723 . 2 . 2 51 51 GLU H H 1 8.08 0.02 . 1 . . . . A 48 GLU H . 34628 1 724 . 2 . 2 51 51 GLU HA H 1 4.22 0.02 . 1 . . . . A 48 GLU HA . 34628 1 725 . 2 . 2 51 51 GLU HB2 H 1 2.00 0.02 . 2 . . . . A 48 GLU HB2 . 34628 1 726 . 2 . 2 51 51 GLU HB3 H 1 1.89 0.02 . 2 . . . . A 48 GLU HB3 . 34628 1 727 . 2 . 2 51 51 GLU HG2 H 1 2.18 0.02 . 1 . . . . A 48 GLU HG2 . 34628 1 728 . 2 . 2 51 51 GLU HG3 H 1 2.18 0.02 . 1 . . . . A 48 GLU HG3 . 34628 1 729 . 2 . 2 51 51 GLU CA C 13 56.05 0.2 . 1 . . . . A 48 GLU CA . 34628 1 730 . 2 . 2 51 51 GLU CB C 13 29.93 0.2 . 1 . . . . A 48 GLU CB . 34628 1 731 . 2 . 2 51 51 GLU CG C 13 36.47 0.2 . 1 . . . . A 48 GLU CG . 34628 1 732 . 2 . 2 51 51 GLU CD C 13 183.65 0.2 . 1 . . . . A 48 GLU CD . 34628 1 733 . 2 . 2 51 51 GLU N N 15 123.12 0.2 . 1 . . . . A 48 GLU N . 34628 1 734 . 2 . 2 52 52 ARG H H 1 8.43 0.02 . 1 . . . . A 49 ARG H . 34628 1 735 . 2 . 2 52 52 ARG HA H 1 5.69 0.02 . 1 . . . . A 49 ARG HA . 34628 1 736 . 2 . 2 52 52 ARG HB2 H 1 1.72 0.02 . 2 . . . . A 49 ARG HB2 . 34628 1 737 . 2 . 2 52 52 ARG HB3 H 1 1.63 0.02 . 2 . . . . A 49 ARG HB3 . 34628 1 738 . 2 . 2 52 52 ARG HG2 H 1 1.57 0.02 . 2 . . . . A 49 ARG HG2 . 34628 1 739 . 2 . 2 52 52 ARG HG3 H 1 1.42 0.02 . 2 . . . . A 49 ARG HG3 . 34628 1 740 . 2 . 2 52 52 ARG HD2 H 1 3.16 0.02 . 2 . . . . A 49 ARG HD2 . 34628 1 741 . 2 . 2 52 52 ARG HD3 H 1 3.13 0.02 . 2 . . . . A 49 ARG HD3 . 34628 1 742 . 2 . 2 52 52 ARG CA C 13 53.54 0.2 . 1 . . . . A 49 ARG CA . 34628 1 743 . 2 . 2 52 52 ARG CB C 13 34.89 0.2 . 1 . . . . A 49 ARG CB . 34628 1 744 . 2 . 2 52 52 ARG CG C 13 27.05 0.2 . 1 . . . . A 49 ARG CG . 34628 1 745 . 2 . 2 52 52 ARG CD C 13 43.93 0.2 . 1 . . . . A 49 ARG CD . 34628 1 746 . 2 . 2 52 52 ARG N N 15 121.04 0.2 . 1 . . . . A 49 ARG N . 34628 1 747 . 2 . 2 53 53 GLY H H 1 8.70 0.02 . 1 . . . . A 50 GLY H . 34628 1 748 . 2 . 2 53 53 GLY HA2 H 1 3.93 0.02 . 2 . . . . A 50 GLY HA2 . 34628 1 749 . 2 . 2 53 53 GLY HA3 H 1 3.81 0.02 . 2 . . . . A 50 GLY HA3 . 34628 1 750 . 2 . 2 53 53 GLY CA C 13 45.44 0.2 . 1 . . . . A 50 GLY CA . 34628 1 751 . 2 . 2 53 53 GLY N N 15 108.29 0.2 . 1 . . . . A 50 GLY N . 34628 1 752 . 2 . 2 54 54 LEU H H 1 9.13 0.02 . 1 . . . . A 51 LEU H . 34628 1 753 . 2 . 2 54 54 LEU HA H 1 5.28 0.02 . 1 . . . . A 51 LEU HA . 34628 1 754 . 2 . 2 54 54 LEU HB2 H 1 1.29 0.02 . 2 . . . . A 51 LEU HB2 . 34628 1 755 . 2 . 2 54 54 LEU HB3 H 1 1.18 0.02 . 2 . . . . A 51 LEU HB3 . 34628 1 756 . 2 . 2 54 54 LEU HG H 1 1.60 0.02 . 1 . . . . A 51 LEU HG . 34628 1 757 . 2 . 2 54 54 LEU HD11 H 1 0.18 0.02 . 2 . . . . A 51 LEU HD11 . 34628 1 758 . 2 . 2 54 54 LEU HD12 H 1 0.18 0.02 . 2 . . . . A 51 LEU HD12 . 34628 1 759 . 2 . 2 54 54 LEU HD13 H 1 0.18 0.02 . 2 . . . . A 51 LEU HD13 . 34628 1 760 . 2 . 2 54 54 LEU HD21 H 1 0.60 0.02 . 2 . . . . A 51 LEU HD21 . 34628 1 761 . 2 . 2 54 54 LEU HD22 H 1 0.60 0.02 . 2 . . . . A 51 LEU HD22 . 34628 1 762 . 2 . 2 54 54 LEU HD23 H 1 0.60 0.02 . 2 . . . . A 51 LEU HD23 . 34628 1 763 . 2 . 2 54 54 LEU CA C 13 54.78 0.2 . 1 . . . . A 51 LEU CA . 34628 1 764 . 2 . 2 54 54 LEU CB C 13 43.21 0.2 . 1 . . . . A 51 LEU CB . 34628 1 765 . 2 . 2 54 54 LEU CG C 13 26.46 0.2 . 1 . . . . A 51 LEU CG . 34628 1 766 . 2 . 2 54 54 LEU CD1 C 13 25.07 0.2 . 2 . . . . A 51 LEU CD1 . 34628 1 767 . 2 . 2 54 54 LEU CD2 C 13 24.07 0.2 . 2 . . . . A 51 LEU CD2 . 34628 1 768 . 2 . 2 54 54 LEU N N 15 119.76 0.2 . 1 . . . . A 51 LEU N . 34628 1 769 . 2 . 2 55 55 VAL H H 1 9.07 0.02 . 1 . . . . A 52 VAL H . 34628 1 770 . 2 . 2 55 55 VAL HA H 1 4.46 0.02 . 1 . . . . A 52 VAL HA . 34628 1 771 . 2 . 2 55 55 VAL HB H 1 1.63 0.02 . 1 . . . . A 52 VAL HB . 34628 1 772 . 2 . 2 55 55 VAL HG11 H 1 0.81 0.02 . 2 . . . . A 52 VAL HG11 . 34628 1 773 . 2 . 2 55 55 VAL HG12 H 1 0.81 0.02 . 2 . . . . A 52 VAL HG12 . 34628 1 774 . 2 . 2 55 55 VAL HG13 H 1 0.81 0.02 . 2 . . . . A 52 VAL HG13 . 34628 1 775 . 2 . 2 55 55 VAL HG21 H 1 0.95 0.02 . 2 . . . . A 52 VAL HG21 . 34628 1 776 . 2 . 2 55 55 VAL HG22 H 1 0.95 0.02 . 2 . . . . A 52 VAL HG22 . 34628 1 777 . 2 . 2 55 55 VAL HG23 H 1 0.95 0.02 . 2 . . . . A 52 VAL HG23 . 34628 1 778 . 2 . 2 55 55 VAL CA C 13 58.50 0.2 . 1 . . . . A 52 VAL CA . 34628 1 779 . 2 . 2 55 55 VAL CB C 13 37.62 0.2 . 1 . . . . A 52 VAL CB . 34628 1 780 . 2 . 2 55 55 VAL CG1 C 13 21.20 0.2 . 2 . . . . A 52 VAL CG1 . 34628 1 781 . 2 . 2 55 55 VAL CG2 C 13 22.33 0.2 . 2 . . . . A 52 VAL CG2 . 34628 1 782 . 2 . 2 55 55 VAL N N 15 120.43 0.2 . 1 . . . . A 52 VAL N . 34628 1 783 . 2 . 2 56 56 PRO HA H 1 4.00 0.02 . 1 . . . . A 53 PRO HA . 34628 1 784 . 2 . 2 56 56 PRO HB2 H 1 1.41 0.02 . 2 . . . . A 53 PRO HB2 . 34628 1 785 . 2 . 2 56 56 PRO HB3 H 1 1.34 0.02 . 2 . . . . A 53 PRO HB3 . 34628 1 786 . 2 . 2 56 56 PRO HG2 H 1 0.18 0.02 . 2 . . . . A 53 PRO HG2 . 34628 1 787 . 2 . 2 56 56 PRO HG3 H 1 0.03 0.02 . 2 . . . . A 53 PRO HG3 . 34628 1 788 . 2 . 2 56 56 PRO HD2 H 1 2.01 0.02 . 1 . . . . A 53 PRO HD2 . 34628 1 789 . 2 . 2 56 56 PRO HD3 H 1 2.01 0.02 . 1 . . . . A 53 PRO HD3 . 34628 1 790 . 2 . 2 56 56 PRO CA C 13 62.41 0.2 . 1 . . . . A 53 PRO CA . 34628 1 791 . 2 . 2 56 56 PRO CB C 13 31.86 0.2 . 1 . . . . A 53 PRO CB . 34628 1 792 . 2 . 2 56 56 PRO CG C 13 27.68 0.2 . 1 . . . . A 53 PRO CG . 34628 1 793 . 2 . 2 56 56 PRO CD C 13 50.47 0.2 . 1 . . . . A 53 PRO CD . 34628 1 794 . 2 . 2 57 57 THR H H 1 8.69 0.02 . 1 . . . . A 54 THR H . 34628 1 795 . 2 . 2 57 57 THR HA H 1 3.63 0.02 . 1 . . . . A 54 THR HA . 34628 1 796 . 2 . 2 57 57 THR HB H 1 3.81 0.02 . 1 . . . . A 54 THR HB . 34628 1 797 . 2 . 2 57 57 THR HG21 H 1 1.12 0.02 . 1 . . . . A 54 THR HG21 . 34628 1 798 . 2 . 2 57 57 THR HG22 H 1 1.12 0.02 . 1 . . . . A 54 THR HG22 . 34628 1 799 . 2 . 2 57 57 THR HG23 H 1 1.12 0.02 . 1 . . . . A 54 THR HG23 . 34628 1 800 . 2 . 2 57 57 THR CA C 13 66.18 0.2 . 1 . . . . A 54 THR CA . 34628 1 801 . 2 . 2 57 57 THR CB C 13 68.44 0.2 . 1 . . . . A 54 THR CB . 34628 1 802 . 2 . 2 57 57 THR CG2 C 13 22.50 0.2 . 1 . . . . A 54 THR CG2 . 34628 1 803 . 2 . 2 57 57 THR N N 15 122.95 0.2 . 1 . . . . A 54 THR N . 34628 1 804 . 2 . 2 58 58 ASP H H 1 8.66 0.02 . 1 . . . . A 55 ASP H . 34628 1 805 . 2 . 2 58 58 ASP HA H 1 4.65 0.02 . 1 . . . . A 55 ASP HA . 34628 1 806 . 2 . 2 58 58 ASP HB2 H 1 2.76 0.02 . 2 . . . . A 55 ASP HB2 . 34628 1 807 . 2 . 2 58 58 ASP HB3 H 1 2.57 0.02 . 2 . . . . A 55 ASP HB3 . 34628 1 808 . 2 . 2 58 58 ASP CA C 13 55.49 0.2 . 1 . . . . A 55 ASP CA . 34628 1 809 . 2 . 2 58 58 ASP CB C 13 39.64 0.2 . 1 . . . . A 55 ASP CB . 34628 1 810 . 2 . 2 58 58 ASP N N 15 116.88 0.2 . 1 . . . . A 55 ASP N . 34628 1 811 . 2 . 2 59 59 TYR H H 1 8.04 0.02 . 1 . . . . A 56 TYR H . 34628 1 812 . 2 . 2 59 59 TYR HA H 1 4.76 0.02 . 1 . . . . A 56 TYR HA . 34628 1 813 . 2 . 2 59 59 TYR HB2 H 1 3.38 0.02 . 2 . . . . A 56 TYR HB2 . 34628 1 814 . 2 . 2 59 59 TYR HB3 H 1 3.26 0.02 . 2 . . . . A 56 TYR HB3 . 34628 1 815 . 2 . 2 59 59 TYR HD1 H 1 7.15 0.02 . 1 . . . . A 56 TYR HD1 . 34628 1 816 . 2 . 2 59 59 TYR HD2 H 1 7.15 0.02 . 1 . . . . A 56 TYR HD2 . 34628 1 817 . 2 . 2 59 59 TYR HE1 H 1 6.88 0.02 . 1 . . . . A 56 TYR HE1 . 34628 1 818 . 2 . 2 59 59 TYR HE2 H 1 6.88 0.02 . 1 . . . . A 56 TYR HE2 . 34628 1 819 . 2 . 2 59 59 TYR CB C 13 37.58 0.2 . 1 . . . . A 56 TYR CB . 34628 1 820 . 2 . 2 59 59 TYR CD1 C 13 132.70 0.2 . 1 . . . . A 56 TYR CD1 . 34628 1 821 . 2 . 2 59 59 TYR CD2 C 13 132.70 0.2 . 1 . . . . A 56 TYR CD2 . 34628 1 822 . 2 . 2 59 59 TYR CE1 C 13 118.38 0.2 . 1 . . . . A 56 TYR CE1 . 34628 1 823 . 2 . 2 59 59 TYR CE2 C 13 118.38 0.2 . 1 . . . . A 56 TYR CE2 . 34628 1 824 . 2 . 2 59 59 TYR N N 15 117.47 0.2 . 1 . . . . A 56 TYR N . 34628 1 825 . 2 . 2 60 60 VAL H H 1 7.59 0.02 . 1 . . . . A 57 VAL H . 34628 1 826 . 2 . 2 60 60 VAL HA H 1 5.31 0.02 . 1 . . . . A 57 VAL HA . 34628 1 827 . 2 . 2 60 60 VAL HB H 1 1.85 0.02 . 1 . . . . A 57 VAL HB . 34628 1 828 . 2 . 2 60 60 VAL HG11 H 1 0.75 0.02 . 2 . . . . A 57 VAL HG11 . 34628 1 829 . 2 . 2 60 60 VAL HG12 H 1 0.75 0.02 . 2 . . . . A 57 VAL HG12 . 34628 1 830 . 2 . 2 60 60 VAL HG13 H 1 0.75 0.02 . 2 . . . . A 57 VAL HG13 . 34628 1 831 . 2 . 2 60 60 VAL HG21 H 1 0.79 0.02 . 2 . . . . A 57 VAL HG21 . 34628 1 832 . 2 . 2 60 60 VAL HG22 H 1 0.79 0.02 . 2 . . . . A 57 VAL HG22 . 34628 1 833 . 2 . 2 60 60 VAL HG23 H 1 0.79 0.02 . 2 . . . . A 57 VAL HG23 . 34628 1 834 . 2 . 2 60 60 VAL CA C 13 58.46 0.2 . 1 . . . . A 57 VAL CA . 34628 1 835 . 2 . 2 60 60 VAL CB C 13 34.81 0.2 . 1 . . . . A 57 VAL CB . 34628 1 836 . 2 . 2 60 60 VAL CG1 C 13 21.30 0.2 . 2 . . . . A 57 VAL CG1 . 34628 1 837 . 2 . 2 60 60 VAL CG2 C 13 19.16 0.2 . 2 . . . . A 57 VAL CG2 . 34628 1 838 . 2 . 2 60 60 VAL N N 15 110.97 0.2 . 1 . . . . A 57 VAL N . 34628 1 839 . 2 . 2 61 61 GLU H H 1 9.04 0.02 . 1 . . . . A 58 GLU H . 34628 1 840 . 2 . 2 61 61 GLU HA H 1 4.73 0.02 . 1 . . . . A 58 GLU HA . 34628 1 841 . 2 . 2 61 61 GLU HB2 H 1 2.05 0.02 . 2 . . . . A 58 GLU HB2 . 34628 1 842 . 2 . 2 61 61 GLU HB3 H 1 1.98 0.02 . 2 . . . . A 58 GLU HB3 . 34628 1 843 . 2 . 2 61 61 GLU HG2 H 1 2.24 0.02 . 2 . . . . A 58 GLU HG2 . 34628 1 844 . 2 . 2 61 61 GLU HG3 H 1 2.09 0.02 . 2 . . . . A 58 GLU HG3 . 34628 1 845 . 2 . 2 61 61 GLU CA C 13 54.08 0.2 . 1 . . . . A 58 GLU CA . 34628 1 846 . 2 . 2 61 61 GLU CB C 13 32.28 0.2 . 1 . . . . A 58 GLU CB . 34628 1 847 . 2 . 2 61 61 GLU CG C 13 36.12 0.2 . 1 . . . . A 58 GLU CG . 34628 1 848 . 2 . 2 61 61 GLU CD C 13 183.61 0.2 . 1 . . . . A 58 GLU CD . 34628 1 849 . 2 . 2 61 61 GLU N N 15 122.18 0.2 . 1 . . . . A 58 GLU N . 34628 1 850 . 2 . 2 62 62 ILE H H 1 8.84 0.02 . 1 . . . . A 59 ILE H . 34628 1 851 . 2 . 2 62 62 ILE HA H 1 3.98 0.02 . 1 . . . . A 59 ILE HA . 34628 1 852 . 2 . 2 62 62 ILE HB H 1 1.85 0.02 . 1 . . . . A 59 ILE HB . 34628 1 853 . 2 . 2 62 62 ILE HG12 H 1 1.56 0.02 . 2 . . . . A 59 ILE HG12 . 34628 1 854 . 2 . 2 62 62 ILE HG13 H 1 1.22 0.02 . 2 . . . . A 59 ILE HG13 . 34628 1 855 . 2 . 2 62 62 ILE HG21 H 1 0.95 0.02 . 1 . . . . A 59 ILE HG21 . 34628 1 856 . 2 . 2 62 62 ILE HG22 H 1 0.95 0.02 . 1 . . . . A 59 ILE HG22 . 34628 1 857 . 2 . 2 62 62 ILE HG23 H 1 0.95 0.02 . 1 . . . . A 59 ILE HG23 . 34628 1 858 . 2 . 2 62 62 ILE HD11 H 1 0.77 0.02 . 1 . . . . A 59 ILE HD11 . 34628 1 859 . 2 . 2 62 62 ILE HD12 H 1 0.77 0.02 . 1 . . . . A 59 ILE HD12 . 34628 1 860 . 2 . 2 62 62 ILE HD13 H 1 0.77 0.02 . 1 . . . . A 59 ILE HD13 . 34628 1 861 . 2 . 2 62 62 ILE CA C 13 62.14 0.2 . 1 . . . . A 59 ILE CA . 34628 1 862 . 2 . 2 62 62 ILE CB C 13 36.85 0.2 . 1 . . . . A 59 ILE CB . 34628 1 863 . 2 . 2 62 62 ILE CG1 C 13 28.47 0.2 . 1 . . . . A 59 ILE CG1 . 34628 1 864 . 2 . 2 62 62 ILE CG2 C 13 17.77 0.2 . 1 . . . . A 59 ILE CG2 . 34628 1 865 . 2 . 2 62 62 ILE CD1 C 13 11.53 0.2 . 1 . . . . A 59 ILE CD1 . 34628 1 866 . 2 . 2 62 62 ILE N N 15 127.35 0.2 . 1 . . . . A 59 ILE N . 34628 1 867 . 2 . 2 63 63 LEU H H 1 8.64 0.02 . 1 . . . . A 60 LEU H . 34628 1 868 . 2 . 2 63 63 LEU HA H 1 4.70 0.02 . 1 . . . . A 60 LEU HA . 34628 1 869 . 2 . 2 63 63 LEU HB2 H 1 1.57 0.02 . 2 . . . . A 60 LEU HB2 . 34628 1 870 . 2 . 2 63 63 LEU HB3 H 1 1.50 0.02 . 2 . . . . A 60 LEU HB3 . 34628 1 871 . 2 . 2 63 63 LEU HG H 1 1.71 0.02 . 1 . . . . A 60 LEU HG . 34628 1 872 . 2 . 2 63 63 LEU HD11 H 1 0.86 0.02 . 2 . . . . A 60 LEU HD11 . 34628 1 873 . 2 . 2 63 63 LEU HD12 H 1 0.86 0.02 . 2 . . . . A 60 LEU HD12 . 34628 1 874 . 2 . 2 63 63 LEU HD13 H 1 0.86 0.02 . 2 . . . . A 60 LEU HD13 . 34628 1 875 . 2 . 2 63 63 LEU HD21 H 1 0.88 0.02 . 2 . . . . A 60 LEU HD21 . 34628 1 876 . 2 . 2 63 63 LEU HD22 H 1 0.88 0.02 . 2 . . . . A 60 LEU HD22 . 34628 1 877 . 2 . 2 63 63 LEU HD23 H 1 0.88 0.02 . 2 . . . . A 60 LEU HD23 . 34628 1 878 . 2 . 2 63 63 LEU CA C 13 52.90 0.2 . 1 . . . . A 60 LEU CA . 34628 1 879 . 2 . 2 63 63 LEU CB C 13 41.13 0.2 . 1 . . . . A 60 LEU CB . 34628 1 880 . 2 . 2 63 63 LEU CG C 13 27.21 0.2 . 1 . . . . A 60 LEU CG . 34628 1 881 . 2 . 2 63 63 LEU CD1 C 13 25.73 0.2 . 2 . . . . A 60 LEU CD1 . 34628 1 882 . 2 . 2 63 63 LEU CD2 C 13 22.68 0.2 . 2 . . . . A 60 LEU CD2 . 34628 1 883 . 2 . 2 63 63 LEU N N 15 130.27 0.2 . 1 . . . . A 60 LEU N . 34628 1 884 . 2 . 2 64 64 PRO HA H 1 4.52 0.02 . 1 . . . . A 61 PRO HA . 34628 1 885 . 2 . 2 64 64 PRO HB2 H 1 2.34 0.02 . 2 . . . . A 61 PRO HB2 . 34628 1 886 . 2 . 2 64 64 PRO HB3 H 1 1.96 0.02 . 2 . . . . A 61 PRO HB3 . 34628 1 887 . 2 . 2 64 64 PRO HG2 H 1 2.05 0.02 . 1 . . . . A 61 PRO HG2 . 34628 1 888 . 2 . 2 64 64 PRO HG3 H 1 2.05 0.02 . 1 . . . . A 61 PRO HG3 . 34628 1 889 . 2 . 2 64 64 PRO HD2 H 1 3.90 0.02 . 2 . . . . A 61 PRO HD2 . 34628 1 890 . 2 . 2 64 64 PRO HD3 H 1 3.64 0.02 . 2 . . . . A 61 PRO HD3 . 34628 1 891 . 2 . 2 64 64 PRO CA C 13 62.87 0.2 . 1 . . . . A 61 PRO CA . 34628 1 892 . 2 . 2 64 64 PRO CB C 13 32.21 0.2 . 1 . . . . A 61 PRO CB . 34628 1 893 . 2 . 2 64 64 PRO CG C 13 27.43 0.2 . 1 . . . . A 61 PRO CG . 34628 1 894 . 2 . 2 64 64 PRO CD C 13 50.55 0.2 . 1 . . . . A 61 PRO CD . 34628 1 895 . 2 . 2 65 65 SER H H 1 8.49 0.02 . 1 . . . . A 62 SER H . 34628 1 896 . 2 . 2 65 65 SER HA H 1 4.46 0.02 . 1 . . . . A 62 SER HA . 34628 1 897 . 2 . 2 65 65 SER HB2 H 1 3.90 0.02 . 1 . . . . A 62 SER HB2 . 34628 1 898 . 2 . 2 65 65 SER HB3 H 1 3.90 0.02 . 1 . . . . A 62 SER HB3 . 34628 1 899 . 2 . 2 65 65 SER CA C 13 58.57 0.2 . 1 . . . . A 62 SER CA . 34628 1 900 . 2 . 2 65 65 SER CB C 13 64.00 0.2 . 1 . . . . A 62 SER CB . 34628 1 901 . 2 . 2 65 65 SER N N 15 116.64 0.2 . 1 . . . . A 62 SER N . 34628 1 902 . 2 . 2 66 66 ASP H H 1 8.41 0.02 . 1 . . . . A 63 ASP H . 34628 1 903 . 2 . 2 66 66 ASP HA H 1 4.68 0.02 . 1 . . . . A 63 ASP HA . 34628 1 904 . 2 . 2 66 66 ASP HB2 H 1 2.68 0.02 . 2 . . . . A 63 ASP HB2 . 34628 1 905 . 2 . 2 66 66 ASP HB3 H 1 2.65 0.02 . 2 . . . . A 63 ASP HB3 . 34628 1 906 . 2 . 2 66 66 ASP CA C 13 54.25 0.2 . 1 . . . . A 63 ASP CA . 34628 1 907 . 2 . 2 66 66 ASP CB C 13 41.36 0.2 . 1 . . . . A 63 ASP CB . 34628 1 908 . 2 . 2 66 66 ASP N N 15 122.63 0.2 . 1 . . . . A 63 ASP N . 34628 1 909 . 2 . 2 67 67 GLY H H 1 7.91 0.02 . 1 . . . . A 64 GLY H . 34628 1 910 . 2 . 2 67 67 GLY HA2 H 1 3.75 0.02 . 1 . . . . A 64 GLY HA2 . 34628 1 911 . 2 . 2 67 67 GLY HA3 H 1 3.75 0.02 . 1 . . . . A 64 GLY HA3 . 34628 1 912 . 2 . 2 67 67 GLY CA C 13 46.29 0.2 . 1 . . . . A 64 GLY CA . 34628 1 913 . 2 . 2 67 67 GLY N N 15 114.84 0.2 . 1 . . . . A 64 GLY N . 34628 1 stop_ save_