data_31205 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 31205 _Entry.Title ; Solution NMR structure of the calcium insensitive human LETM1 F-EF-hand domain mutant in the absence of calcium ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2024-09-14 _Entry.Accession_date 2024-09-14 _Entry.Last_release_date 2024-10-14 _Entry.Original_release_date 2024-10-14 _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 Q. Lin Q. T. . . 31205 2 P. Stathopulos P. B. . . 31205 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID EF-hand . 31205 F-EF-hand . 31205 LETM1 . 31205 'METAL BINDING PROTEIN' . 31205 mitochondrial . 31205 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 31205 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 245 31205 '15N chemical shifts' 47 31205 '1H chemical shifts' 414 31205 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2025-05-08 . original BMRB . 31205 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 9DMR 'BMRB Entry Tracking System' 31205 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 31205 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID . _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for the conformational changes in the LETM1 F-EF-hand domain ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Q. Lin Q. T. . . 31205 1 2 P. Stathopulos P. B. . . 31205 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 31205 _Assembly.ID 1 _Assembly.Name 'Mitochondrial proton/calcium exchanger protein' _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 A yes . . . . . . 31205 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 31205 _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 A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMASTGENVISVAELINA MKQVKHIPESKLTSLAAALA EAKDGKVNIDDLVKVIELVD KED ; _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 63 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6694.656 _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 'Electroneutral mitochondrial K(+)/H(+)exchanger' common 31205 1 KHE common 31205 1 'Leucine zipper-EF-hand-containing transmembrane protein 1' common 31205 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 -5 GLY . 31205 1 2 -4 SER . 31205 1 3 -3 HIS . 31205 1 4 -2 MET . 31205 1 5 -1 ALA . 31205 1 6 0 SER . 31205 1 7 643 THR . 31205 1 8 644 GLY . 31205 1 9 645 GLU . 31205 1 10 646 ASN . 31205 1 11 647 VAL . 31205 1 12 648 ILE . 31205 1 13 649 SER . 31205 1 14 650 VAL . 31205 1 15 651 ALA . 31205 1 16 652 GLU . 31205 1 17 653 LEU . 31205 1 18 654 ILE . 31205 1 19 655 ASN . 31205 1 20 656 ALA . 31205 1 21 657 MET . 31205 1 22 658 LYS . 31205 1 23 659 GLN . 31205 1 24 660 VAL . 31205 1 25 661 LYS . 31205 1 26 662 HIS . 31205 1 27 663 ILE . 31205 1 28 664 PRO . 31205 1 29 665 GLU . 31205 1 30 666 SER . 31205 1 31 667 LYS . 31205 1 32 668 LEU . 31205 1 33 669 THR . 31205 1 34 670 SER . 31205 1 35 671 LEU . 31205 1 36 672 ALA . 31205 1 37 673 ALA . 31205 1 38 674 ALA . 31205 1 39 675 LEU . 31205 1 40 676 ALA . 31205 1 41 677 GLU . 31205 1 42 678 ALA . 31205 1 43 679 LYS . 31205 1 44 680 ASP . 31205 1 45 681 GLY . 31205 1 46 682 LYS . 31205 1 47 683 VAL . 31205 1 48 684 ASN . 31205 1 49 685 ILE . 31205 1 50 686 ASP . 31205 1 51 687 ASP . 31205 1 52 688 LEU . 31205 1 53 689 VAL . 31205 1 54 690 LYS . 31205 1 55 691 VAL . 31205 1 56 692 ILE . 31205 1 57 693 GLU . 31205 1 58 694 LEU . 31205 1 59 695 VAL . 31205 1 60 696 ASP . 31205 1 61 697 LYS . 31205 1 62 698 GLU . 31205 1 63 699 ASP . 31205 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 31205 1 . SER 2 2 31205 1 . HIS 3 3 31205 1 . MET 4 4 31205 1 . ALA 5 5 31205 1 . SER 6 6 31205 1 . THR 7 7 31205 1 . GLY 8 8 31205 1 . GLU 9 9 31205 1 . ASN 10 10 31205 1 . VAL 11 11 31205 1 . ILE 12 12 31205 1 . SER 13 13 31205 1 . VAL 14 14 31205 1 . ALA 15 15 31205 1 . GLU 16 16 31205 1 . LEU 17 17 31205 1 . ILE 18 18 31205 1 . ASN 19 19 31205 1 . ALA 20 20 31205 1 . MET 21 21 31205 1 . LYS 22 22 31205 1 . GLN 23 23 31205 1 . VAL 24 24 31205 1 . LYS 25 25 31205 1 . HIS 26 26 31205 1 . ILE 27 27 31205 1 . PRO 28 28 31205 1 . GLU 29 29 31205 1 . SER 30 30 31205 1 . LYS 31 31 31205 1 . LEU 32 32 31205 1 . THR 33 33 31205 1 . SER 34 34 31205 1 . LEU 35 35 31205 1 . ALA 36 36 31205 1 . ALA 37 37 31205 1 . ALA 38 38 31205 1 . LEU 39 39 31205 1 . ALA 40 40 31205 1 . GLU 41 41 31205 1 . ALA 42 42 31205 1 . LYS 43 43 31205 1 . ASP 44 44 31205 1 . GLY 45 45 31205 1 . LYS 46 46 31205 1 . VAL 47 47 31205 1 . ASN 48 48 31205 1 . ILE 49 49 31205 1 . ASP 50 50 31205 1 . ASP 51 51 31205 1 . LEU 52 52 31205 1 . VAL 53 53 31205 1 . LYS 54 54 31205 1 . VAL 55 55 31205 1 . ILE 56 56 31205 1 . GLU 57 57 31205 1 . LEU 58 58 31205 1 . VAL 59 59 31205 1 . ASP 60 60 31205 1 . LYS 61 61 31205 1 . GLU 62 62 31205 1 . ASP 63 63 31205 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 31205 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . LETM1 . 31205 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 31205 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 31205 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 31205 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-99% 15N] Human leucine zipper EF-hand containing transmembrane protein-1 F-EF-hand domain, 20 mM TRIS, 50 mM sodium chloride, 10 mM CHAPS, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human leucine zipper EF-hand containing transmembrane protein-1 F-EF-hand domain' '[U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 31205 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 31205 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 31205 1 4 CHAPS 'natural abundance' . . . . . . 10 . . mM . . . . 31205 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 31205 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-99% 15N; U-99% 15N] Human leucine zipper EF-hand containing transmembrane protein-1 F-EF-hand domain, 20 mM TRIS, 50 mM sodium chloride, 10 mM CHAPS, 90% H2O/10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human leucine zipper EF-hand containing transmembrane protein-1 F-EF-hand domain' '[U-99% 15N; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 31205 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 31205 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 31205 2 4 CHAPS 'natural abundance' . . . . . . 10 . . mM . . . . 31205 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 31205 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1 mM [U-99% 15N; U-99% 15N] Human leucine zipper EF-hand containing transmembrane protein-1 F-EF-hand domain, 20 mM TRIS, 50 mM sodium chloride, 10 mM CHAPS, 100% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human leucine zipper EF-hand containing transmembrane protein-1 F-EF-hand domain' '[U-99% 15N; U-99% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 31205 3 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 31205 3 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 31205 3 4 CHAPS 'natural abundance' . . . . . . 10 . . mM . . . . 31205 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 31205 _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' 95 . mM 31205 1 pH 7.8 . pH 31205 1 pressure 1 . atm 31205 1 temperature 308.15 . K 31205 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 31205 _Sample_condition_list.ID 2 _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' 95 . mM 31205 2 pH 8.2 . pD 31205 2 pressure 1 . atm 31205 2 temperature 308.15 . K 31205 2 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 31205 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version 1.9.1B12 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 31205 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 31205 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 31205 _Software.ID 2 _Software.Type . _Software.Name CNS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 31205 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 31205 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 31205 _Software.ID 3 _Software.Type . _Software.Name CNS _Software.Version 1.3 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 31205 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 31205 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 31205 _Software.ID 4 _Software.Type . _Software.Name NMRPipe _Software.Version 10.9 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 31205 4 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 31205 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 31205 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 31205 _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 Varian INOVA . 600 . . . 31205 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 31205 _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 . . . . . . . . . . . . . . . . . 31205 1 2 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31205 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31205 1 4 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31205 1 5 '3D H(CCO)NH' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31205 1 6 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31205 1 7 '2D 1H-13C HSQC' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31205 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31205 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 2 $sample_conditions_2 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 31205 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 31205 _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 . . . . . 31205 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 31205 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 31205 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 31205 _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' . . . 31205 1 2 '3D 1H-15N NOESY' . . . 31205 1 3 '3D CBCA(CO)NH' . . . 31205 1 4 '3D HNCACB' . . . 31205 1 5 '3D H(CCO)NH' . . . 31205 1 6 '3D HNCO' . . . 31205 1 7 '2D 1H-13C HSQC' . . . 31205 1 8 '3D HCCH-TOCSY' . . . 31205 1 9 '3D 1H-13C NOESY' . . . 31205 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 GLY HA2 H 1 3.952 0.000 . 2 . . . . A -5 GLY HA2 . 31205 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.952 0.000 . 2 . . . . A -5 GLY HA3 . 31205 1 3 . 1 . 1 1 1 GLY CA C 13 45.332 0.000 . 1 . . . . A -5 GLY CA . 31205 1 4 . 1 . 1 2 2 SER HA H 1 4.483 0.000 . 1 . . . . A -4 SER HA . 31205 1 5 . 1 . 1 2 2 SER HB2 H 1 3.973 0.000 . 2 . . . . A -4 SER HB2 . 31205 1 6 . 1 . 1 2 2 SER HB3 H 1 3.948 0.000 . 2 . . . . A -4 SER HB3 . 31205 1 7 . 1 . 1 2 2 SER CA C 13 58.129 0.000 . 1 . . . . A -4 SER CA . 31205 1 8 . 1 . 1 2 2 SER CB C 13 63.122 0.000 . 1 . . . . A -4 SER CB . 31205 1 9 . 1 . 1 3 3 HIS HB2 H 1 3.107 0.000 . 2 . . . . A -3 HIS HB2 . 31205 1 10 . 1 . 1 3 3 HIS HB3 H 1 3.107 0.000 . 2 . . . . A -3 HIS HB3 . 31205 1 11 . 1 . 1 3 3 HIS CB C 13 31.009 0.000 . 1 . . . . A -3 HIS CB . 31205 1 12 . 1 . 1 4 4 MET HG2 H 1 2.477 0.000 . 2 . . . . A -2 MET HG2 . 31205 1 13 . 1 . 1 4 4 MET HG3 H 1 2.423 0.000 . 2 . . . . A -2 MET HG3 . 31205 1 14 . 1 . 1 4 4 MET HE1 H 1 2.148 0.000 . 1 . . . . A -2 MET HE1 . 31205 1 15 . 1 . 1 4 4 MET HE2 H 1 2.148 0.000 . 1 . . . . A -2 MET HE2 . 31205 1 16 . 1 . 1 4 4 MET HE3 H 1 2.148 0.000 . 1 . . . . A -2 MET HE3 . 31205 1 17 . 1 . 1 4 4 MET CG C 13 31.792 0.000 . 1 . . . . A -2 MET CG . 31205 1 18 . 1 . 1 4 4 MET CE C 13 16.668 0.000 . 1 . . . . A -2 MET CE . 31205 1 19 . 1 . 1 5 5 ALA HA H 1 4.376 0.000 . 1 . . . . A -1 ALA HA . 31205 1 20 . 1 . 1 5 5 ALA HB1 H 1 1.486 0.000 . 1 . . . . A -1 ALA HB1 . 31205 1 21 . 1 . 1 5 5 ALA HB2 H 1 1.486 0.000 . 1 . . . . A -1 ALA HB2 . 31205 1 22 . 1 . 1 5 5 ALA HB3 H 1 1.486 0.000 . 1 . . . . A -1 ALA HB3 . 31205 1 23 . 1 . 1 5 5 ALA CA C 13 52.364 0.000 . 1 . . . . A -1 ALA CA . 31205 1 24 . 1 . 1 5 5 ALA CB C 13 18.830 0.000 . 1 . . . . A -1 ALA CB . 31205 1 25 . 1 . 1 6 6 SER HA H 1 4.550 0.000 . 1 . . . . A 0 SER HA . 31205 1 26 . 1 . 1 6 6 SER HB2 H 1 3.866 0.000 . 2 . . . . A 0 SER HB2 . 31205 1 27 . 1 . 1 6 6 SER HB3 H 1 3.840 0.000 . 2 . . . . A 0 SER HB3 . 31205 1 28 . 1 . 1 6 6 SER CA C 13 58.052 0.000 . 1 . . . . A 0 SER CA . 31205 1 29 . 1 . 1 6 6 SER CB C 13 63.712 0.006 . 1 . . . . A 0 SER CB . 31205 1 30 . 1 . 1 7 7 THR HA H 1 4.418 0.000 . 1 . . . . A 643 THR HA . 31205 1 31 . 1 . 1 7 7 THR HB H 1 4.337 0.000 . 1 . . . . A 643 THR HB . 31205 1 32 . 1 . 1 7 7 THR HG21 H 1 1.245 0.000 . 1 . . . . A 643 THR HG21 . 31205 1 33 . 1 . 1 7 7 THR HG22 H 1 1.245 0.000 . 1 . . . . A 643 THR HG22 . 31205 1 34 . 1 . 1 7 7 THR HG23 H 1 1.245 0.000 . 1 . . . . A 643 THR HG23 . 31205 1 35 . 1 . 1 7 7 THR CA C 13 61.710 0.000 . 1 . . . . A 643 THR CA . 31205 1 36 . 1 . 1 7 7 THR CB C 13 69.641 0.000 . 1 . . . . A 643 THR CB . 31205 1 37 . 1 . 1 7 7 THR CG2 C 13 21.452 0.000 . 1 . . . . A 643 THR CG2 . 31205 1 38 . 1 . 1 8 8 GLY HA2 H 1 4.033 0.000 . 2 . . . . A 644 GLY HA2 . 31205 1 39 . 1 . 1 8 8 GLY HA3 H 1 3.996 0.000 . 2 . . . . A 644 GLY HA3 . 31205 1 40 . 1 . 1 8 8 GLY CA C 13 45.245 0.000 . 1 . . . . A 644 GLY CA . 31205 1 41 . 1 . 1 9 9 GLU HA H 1 4.303 0.000 . 1 . . . . A 645 GLU HA . 31205 1 42 . 1 . 1 9 9 GLU HB2 H 1 1.984 0.000 . 2 . . . . A 645 GLU HB2 . 31205 1 43 . 1 . 1 9 9 GLU HB3 H 1 1.984 0.000 . 2 . . . . A 645 GLU HB3 . 31205 1 44 . 1 . 1 9 9 GLU HG2 H 1 2.363 0.000 . 2 . . . . A 645 GLU HG2 . 31205 1 45 . 1 . 1 9 9 GLU HG3 H 1 2.280 0.000 . 2 . . . . A 645 GLU HG3 . 31205 1 46 . 1 . 1 9 9 GLU C C 13 176.636 0.000 . 1 . . . . A 645 GLU C . 31205 1 47 . 1 . 1 9 9 GLU CA C 13 55.781 0.000 . 1 . . . . A 645 GLU CA . 31205 1 48 . 1 . 1 9 9 GLU CB C 13 29.673 0.000 . 1 . . . . A 645 GLU CB . 31205 1 49 . 1 . 1 9 9 GLU CG C 13 36.275 0.000 . 1 . . . . A 645 GLU CG . 31205 1 50 . 1 . 1 10 10 ASN H H 1 7.428 0.000 . 1 . . . . A 646 ASN H . 31205 1 51 . 1 . 1 10 10 ASN HA H 1 4.799 0.000 . 1 . . . . A 646 ASN HA . 31205 1 52 . 1 . 1 10 10 ASN HB2 H 1 2.817 0.000 . 2 . . . . A 646 ASN HB2 . 31205 1 53 . 1 . 1 10 10 ASN HB3 H 1 2.796 0.000 . 2 . . . . A 646 ASN HB3 . 31205 1 54 . 1 . 1 10 10 ASN C C 13 174.168 0.000 . 1 . . . . A 646 ASN C . 31205 1 55 . 1 . 1 10 10 ASN CA C 13 52.917 0.000 . 1 . . . . A 646 ASN CA . 31205 1 56 . 1 . 1 10 10 ASN CB C 13 38.464 0.000 . 1 . . . . A 646 ASN CB . 31205 1 57 . 1 . 1 10 10 ASN N N 15 123.171 0.000 . 1 . . . . A 646 ASN N . 31205 1 58 . 1 . 1 11 11 VAL H H 1 7.794 0.000 . 1 . . . . A 647 VAL H . 31205 1 59 . 1 . 1 11 11 VAL HA H 1 4.769 0.000 . 1 . . . . A 647 VAL HA . 31205 1 60 . 1 . 1 11 11 VAL HB H 1 1.970 0.000 . 1 . . . . A 647 VAL HB . 31205 1 61 . 1 . 1 11 11 VAL HG11 H 1 0.864 0.000 . 2 . . . . A 647 VAL HG11 . 31205 1 62 . 1 . 1 11 11 VAL HG12 H 1 0.864 0.000 . 2 . . . . A 647 VAL HG12 . 31205 1 63 . 1 . 1 11 11 VAL HG13 H 1 0.864 0.000 . 2 . . . . A 647 VAL HG13 . 31205 1 64 . 1 . 1 11 11 VAL HG21 H 1 0.869 0.000 . 2 . . . . A 647 VAL HG21 . 31205 1 65 . 1 . 1 11 11 VAL HG22 H 1 0.869 0.000 . 2 . . . . A 647 VAL HG22 . 31205 1 66 . 1 . 1 11 11 VAL HG23 H 1 0.869 0.000 . 2 . . . . A 647 VAL HG23 . 31205 1 67 . 1 . 1 11 11 VAL C C 13 175.176 0.000 . 1 . . . . A 647 VAL C . 31205 1 68 . 1 . 1 11 11 VAL CA C 13 60.669 0.000 . 1 . . . . A 647 VAL CA . 31205 1 69 . 1 . 1 11 11 VAL CB C 13 34.294 0.000 . 1 . . . . A 647 VAL CB . 31205 1 70 . 1 . 1 11 11 VAL CG1 C 13 21.523 0.000 . 2 . . . . A 647 VAL CG1 . 31205 1 71 . 1 . 1 11 11 VAL CG2 C 13 19.910 0.000 . 2 . . . . A 647 VAL CG2 . 31205 1 72 . 1 . 1 11 11 VAL N N 15 117.546 0.000 . 1 . . . . A 647 VAL N . 31205 1 73 . 1 . 1 12 12 ILE H H 1 8.635 0.000 . 1 . . . . A 648 ILE H . 31205 1 74 . 1 . 1 12 12 ILE HA H 1 4.541 0.000 . 1 . . . . A 648 ILE HA . 31205 1 75 . 1 . 1 12 12 ILE HB H 1 1.830 0.000 . 1 . . . . A 648 ILE HB . 31205 1 76 . 1 . 1 12 12 ILE HG12 H 1 1.262 0.000 . 2 . . . . A 648 ILE HG12 . 31205 1 77 . 1 . 1 12 12 ILE HG13 H 1 1.542 0.000 . 2 . . . . A 648 ILE HG13 . 31205 1 78 . 1 . 1 12 12 ILE HG21 H 1 0.887 0.000 . 1 . . . . A 648 ILE HG21 . 31205 1 79 . 1 . 1 12 12 ILE HG22 H 1 0.887 0.000 . 1 . . . . A 648 ILE HG22 . 31205 1 80 . 1 . 1 12 12 ILE HG23 H 1 0.887 0.000 . 1 . . . . A 648 ILE HG23 . 31205 1 81 . 1 . 1 12 12 ILE HD11 H 1 0.818 0.000 . 1 . . . . A 648 ILE HD11 . 31205 1 82 . 1 . 1 12 12 ILE HD12 H 1 0.818 0.000 . 1 . . . . A 648 ILE HD12 . 31205 1 83 . 1 . 1 12 12 ILE HD13 H 1 0.818 0.000 . 1 . . . . A 648 ILE HD13 . 31205 1 84 . 1 . 1 12 12 ILE C C 13 174.412 0.000 . 1 . . . . A 648 ILE C . 31205 1 85 . 1 . 1 12 12 ILE CA C 13 59.430 0.000 . 1 . . . . A 648 ILE CA . 31205 1 86 . 1 . 1 12 12 ILE CB C 13 41.205 0.000 . 1 . . . . A 648 ILE CB . 31205 1 87 . 1 . 1 12 12 ILE CG1 C 13 27.491 0.000 . 1 . . . . A 648 ILE CG1 . 31205 1 88 . 1 . 1 12 12 ILE CG2 C 13 17.139 0.000 . 1 . . . . A 648 ILE CG2 . 31205 1 89 . 1 . 1 12 12 ILE CD1 C 13 13.935 0.000 . 1 . . . . A 648 ILE CD1 . 31205 1 90 . 1 . 1 12 12 ILE N N 15 122.421 0.000 . 1 . . . . A 648 ILE N . 31205 1 91 . 1 . 1 13 13 SER H H 1 8.605 0.000 . 1 . . . . A 649 SER H . 31205 1 92 . 1 . 1 13 13 SER HA H 1 4.829 0.000 . 1 . . . . A 649 SER HA . 31205 1 93 . 1 . 1 13 13 SER HB2 H 1 4.274 0.000 . 2 . . . . A 649 SER HB2 . 31205 1 94 . 1 . 1 13 13 SER HB3 H 1 4.012 0.000 . 2 . . . . A 649 SER HB3 . 31205 1 95 . 1 . 1 13 13 SER C C 13 175.489 0.000 . 1 . . . . A 649 SER C . 31205 1 96 . 1 . 1 13 13 SER CA C 13 57.438 0.000 . 1 . . . . A 649 SER CA . 31205 1 97 . 1 . 1 13 13 SER CB C 13 64.099 0.029 . 1 . . . . A 649 SER CB . 31205 1 98 . 1 . 1 13 13 SER N N 15 120.546 0.000 . 1 . . . . A 649 SER N . 31205 1 99 . 1 . 1 14 14 VAL H H 1 8.566 0.000 . 1 . . . . A 650 VAL H . 31205 1 100 . 1 . 1 14 14 VAL HA H 1 3.531 0.000 . 1 . . . . A 650 VAL HA . 31205 1 101 . 1 . 1 14 14 VAL HB H 1 2.012 0.000 . 1 . . . . A 650 VAL HB . 31205 1 102 . 1 . 1 14 14 VAL HG11 H 1 0.967 0.000 . 2 . . . . A 650 VAL HG11 . 31205 1 103 . 1 . 1 14 14 VAL HG12 H 1 0.967 0.000 . 2 . . . . A 650 VAL HG12 . 31205 1 104 . 1 . 1 14 14 VAL HG13 H 1 0.967 0.000 . 2 . . . . A 650 VAL HG13 . 31205 1 105 . 1 . 1 14 14 VAL HG21 H 1 0.918 0.000 . 2 . . . . A 650 VAL HG21 . 31205 1 106 . 1 . 1 14 14 VAL HG22 H 1 0.918 0.000 . 2 . . . . A 650 VAL HG22 . 31205 1 107 . 1 . 1 14 14 VAL HG23 H 1 0.918 0.000 . 2 . . . . A 650 VAL HG23 . 31205 1 108 . 1 . 1 14 14 VAL C C 13 177.071 0.000 . 1 . . . . A 650 VAL C . 31205 1 109 . 1 . 1 14 14 VAL CA C 13 66.792 0.000 . 1 . . . . A 650 VAL CA . 31205 1 110 . 1 . 1 14 14 VAL CB C 13 31.587 0.000 . 1 . . . . A 650 VAL CB . 31205 1 111 . 1 . 1 14 14 VAL CG1 C 13 22.908 0.000 . 2 . . . . A 650 VAL CG1 . 31205 1 112 . 1 . 1 14 14 VAL CG2 C 13 21.849 0.000 . 2 . . . . A 650 VAL CG2 . 31205 1 113 . 1 . 1 14 14 VAL N N 15 124.671 0.000 . 1 . . . . A 650 VAL N . 31205 1 114 . 1 . 1 15 15 ALA H H 1 8.399 0.000 . 1 . . . . A 651 ALA H . 31205 1 115 . 1 . 1 15 15 ALA HA H 1 4.019 0.000 . 1 . . . . A 651 ALA HA . 31205 1 116 . 1 . 1 15 15 ALA HB1 H 1 1.425 0.000 . 1 . . . . A 651 ALA HB1 . 31205 1 117 . 1 . 1 15 15 ALA HB2 H 1 1.425 0.000 . 1 . . . . A 651 ALA HB2 . 31205 1 118 . 1 . 1 15 15 ALA HB3 H 1 1.425 0.000 . 1 . . . . A 651 ALA HB3 . 31205 1 119 . 1 . 1 15 15 ALA C C 13 180.408 0.000 . 1 . . . . A 651 ALA C . 31205 1 120 . 1 . 1 15 15 ALA CA C 13 55.369 0.000 . 1 . . . . A 651 ALA CA . 31205 1 121 . 1 . 1 15 15 ALA CB C 13 18.194 0.000 . 1 . . . . A 651 ALA CB . 31205 1 122 . 1 . 1 15 15 ALA N N 15 120.921 0.000 . 1 . . . . A 651 ALA N . 31205 1 123 . 1 . 1 16 16 GLU H H 1 7.705 0.000 . 1 . . . . A 652 GLU H . 31205 1 124 . 1 . 1 16 16 GLU HA H 1 4.096 0.000 . 1 . . . . A 652 GLU HA . 31205 1 125 . 1 . 1 16 16 GLU HB2 H 1 2.136 0.000 . 2 . . . . A 652 GLU HB2 . 31205 1 126 . 1 . 1 16 16 GLU HB3 H 1 2.067 0.000 . 2 . . . . A 652 GLU HB3 . 31205 1 127 . 1 . 1 16 16 GLU HG2 H 1 2.334 0.000 . 2 . . . . A 652 GLU HG2 . 31205 1 128 . 1 . 1 16 16 GLU HG3 H 1 2.334 0.000 . 2 . . . . A 652 GLU HG3 . 31205 1 129 . 1 . 1 16 16 GLU C C 13 179.313 0.000 . 1 . . . . A 652 GLU C . 31205 1 130 . 1 . 1 16 16 GLU CA C 13 58.825 0.000 . 1 . . . . A 652 GLU CA . 31205 1 131 . 1 . 1 16 16 GLU CB C 13 29.698 0.000 . 1 . . . . A 652 GLU CB . 31205 1 132 . 1 . 1 16 16 GLU CG C 13 36.830 0.000 . 1 . . . . A 652 GLU CG . 31205 1 133 . 1 . 1 16 16 GLU N N 15 117.171 0.000 . 1 . . . . A 652 GLU N . 31205 1 134 . 1 . 1 17 17 LEU H H 1 8.037 0.000 . 1 . . . . A 653 LEU H . 31205 1 135 . 1 . 1 17 17 LEU HA H 1 4.036 0.000 . 1 . . . . A 653 LEU HA . 31205 1 136 . 1 . 1 17 17 LEU HB2 H 1 1.970 0.000 . 2 . . . . A 653 LEU HB2 . 31205 1 137 . 1 . 1 17 17 LEU HB3 H 1 1.875 0.000 . 2 . . . . A 653 LEU HB3 . 31205 1 138 . 1 . 1 17 17 LEU HG H 1 1.621 0.000 . 1 . . . . A 653 LEU HG . 31205 1 139 . 1 . 1 17 17 LEU HD11 H 1 0.855 0.000 . 2 . . . . A 653 LEU HD11 . 31205 1 140 . 1 . 1 17 17 LEU HD12 H 1 0.855 0.000 . 2 . . . . A 653 LEU HD12 . 31205 1 141 . 1 . 1 17 17 LEU HD13 H 1 0.855 0.000 . 2 . . . . A 653 LEU HD13 . 31205 1 142 . 1 . 1 17 17 LEU HD21 H 1 0.850 0.000 . 2 . . . . A 653 LEU HD21 . 31205 1 143 . 1 . 1 17 17 LEU HD22 H 1 0.850 0.000 . 2 . . . . A 653 LEU HD22 . 31205 1 144 . 1 . 1 17 17 LEU HD23 H 1 0.850 0.000 . 2 . . . . A 653 LEU HD23 . 31205 1 145 . 1 . 1 17 17 LEU C C 13 178.131 0.000 . 1 . . . . A 653 LEU C . 31205 1 146 . 1 . 1 17 17 LEU CA C 13 58.145 0.000 . 1 . . . . A 653 LEU CA . 31205 1 147 . 1 . 1 17 17 LEU CB C 13 41.648 0.000 . 1 . . . . A 653 LEU CB . 31205 1 148 . 1 . 1 17 17 LEU CG C 13 27.029 0.000 . 1 . . . . A 653 LEU CG . 31205 1 149 . 1 . 1 17 17 LEU CD1 C 13 25.971 0.000 . 2 . . . . A 653 LEU CD1 . 31205 1 150 . 1 . 1 17 17 LEU CD2 C 13 24.698 0.000 . 2 . . . . A 653 LEU CD2 . 31205 1 151 . 1 . 1 17 17 LEU N N 15 122.421 0.000 . 1 . . . . A 653 LEU N . 31205 1 152 . 1 . 1 18 18 ILE H H 1 8.511 0.000 . 1 . . . . A 654 ILE H . 31205 1 153 . 1 . 1 18 18 ILE HA H 1 3.600 0.000 . 1 . . . . A 654 ILE HA . 31205 1 154 . 1 . 1 18 18 ILE HB H 1 1.970 0.000 . 1 . . . . A 654 ILE HB . 31205 1 155 . 1 . 1 18 18 ILE HG12 H 1 1.200 0.000 . 2 . . . . A 654 ILE HG12 . 31205 1 156 . 1 . 1 18 18 ILE HG13 H 1 1.643 0.000 . 2 . . . . A 654 ILE HG13 . 31205 1 157 . 1 . 1 18 18 ILE HG21 H 1 0.913 0.000 . 1 . . . . A 654 ILE HG21 . 31205 1 158 . 1 . 1 18 18 ILE HG22 H 1 0.913 0.000 . 1 . . . . A 654 ILE HG22 . 31205 1 159 . 1 . 1 18 18 ILE HG23 H 1 0.913 0.000 . 1 . . . . A 654 ILE HG23 . 31205 1 160 . 1 . 1 18 18 ILE HD11 H 1 0.807 0.000 . 1 . . . . A 654 ILE HD11 . 31205 1 161 . 1 . 1 18 18 ILE HD12 H 1 0.807 0.000 . 1 . . . . A 654 ILE HD12 . 31205 1 162 . 1 . 1 18 18 ILE HD13 H 1 0.807 0.000 . 1 . . . . A 654 ILE HD13 . 31205 1 163 . 1 . 1 18 18 ILE C C 13 177.714 0.000 . 1 . . . . A 654 ILE C . 31205 1 164 . 1 . 1 18 18 ILE CA C 13 64.642 0.000 . 1 . . . . A 654 ILE CA . 31205 1 165 . 1 . 1 18 18 ILE CB C 13 36.821 0.000 . 1 . . . . A 654 ILE CB . 31205 1 166 . 1 . 1 18 18 ILE CG1 C 13 28.944 0.000 . 1 . . . . A 654 ILE CG1 . 31205 1 167 . 1 . 1 18 18 ILE CG2 C 13 17.287 0.000 . 1 . . . . A 654 ILE CG2 . 31205 1 168 . 1 . 1 18 18 ILE CD1 C 13 12.215 0.000 . 1 . . . . A 654 ILE CD1 . 31205 1 169 . 1 . 1 18 18 ILE N N 15 119.046 0.000 . 1 . . . . A 654 ILE N . 31205 1 170 . 1 . 1 19 19 ASN H H 1 7.896 0.000 . 1 . . . . A 655 ASN H . 31205 1 171 . 1 . 1 19 19 ASN HA H 1 4.391 0.000 . 1 . . . . A 655 ASN HA . 31205 1 172 . 1 . 1 19 19 ASN HB2 H 1 2.852 0.000 . 2 . . . . A 655 ASN HB2 . 31205 1 173 . 1 . 1 19 19 ASN HB3 H 1 2.820 0.000 . 2 . . . . A 655 ASN HB3 . 31205 1 174 . 1 . 1 19 19 ASN C C 13 175.246 0.000 . 1 . . . . A 655 ASN C . 31205 1 175 . 1 . 1 19 19 ASN CA C 13 55.972 0.000 . 1 . . . . A 655 ASN CA . 31205 1 176 . 1 . 1 19 19 ASN CB C 13 38.275 0.004 . 1 . . . . A 655 ASN CB . 31205 1 177 . 1 . 1 19 19 ASN N N 15 117.171 0.000 . 1 . . . . A 655 ASN N . 31205 1 178 . 1 . 1 20 20 ALA H H 1 7.977 0.000 . 1 . . . . A 656 ALA H . 31205 1 179 . 1 . 1 20 20 ALA HA H 1 4.208 0.000 . 1 . . . . A 656 ALA HA . 31205 1 180 . 1 . 1 20 20 ALA HB1 H 1 1.554 0.000 . 1 . . . . A 656 ALA HB1 . 31205 1 181 . 1 . 1 20 20 ALA HB2 H 1 1.554 0.000 . 1 . . . . A 656 ALA HB2 . 31205 1 182 . 1 . 1 20 20 ALA HB3 H 1 1.554 0.000 . 1 . . . . A 656 ALA HB3 . 31205 1 183 . 1 . 1 20 20 ALA C C 13 180.356 0.000 . 1 . . . . A 656 ALA C . 31205 1 184 . 1 . 1 20 20 ALA CA C 13 54.648 0.000 . 1 . . . . A 656 ALA CA . 31205 1 185 . 1 . 1 20 20 ALA CB C 13 18.324 0.000 . 1 . . . . A 656 ALA CB . 31205 1 186 . 1 . 1 20 20 ALA N N 15 121.671 0.000 . 1 . . . . A 656 ALA N . 31205 1 187 . 1 . 1 21 21 MET H H 1 8.228 0.000 . 1 . . . . A 657 MET H . 31205 1 188 . 1 . 1 21 21 MET HA H 1 4.110 0.000 . 1 . . . . A 657 MET HA . 31205 1 189 . 1 . 1 21 21 MET HB2 H 1 2.755 0.000 . 2 . . . . A 657 MET HB2 . 31205 1 190 . 1 . 1 21 21 MET HB3 H 1 2.422 0.000 . 2 . . . . A 657 MET HB3 . 31205 1 191 . 1 . 1 21 21 MET HG2 H 1 2.233 0.000 . 2 . . . . A 657 MET HG2 . 31205 1 192 . 1 . 1 21 21 MET HG3 H 1 2.222 0.000 . 2 . . . . A 657 MET HG3 . 31205 1 193 . 1 . 1 21 21 MET HE1 H 1 1.917 0.000 . 1 . . . . A 657 MET HE1 . 31205 1 194 . 1 . 1 21 21 MET HE2 H 1 1.917 0.000 . 1 . . . . A 657 MET HE2 . 31205 1 195 . 1 . 1 21 21 MET HE3 H 1 1.917 0.000 . 1 . . . . A 657 MET HE3 . 31205 1 196 . 1 . 1 21 21 MET CA C 13 58.470 0.000 . 1 . . . . A 657 MET CA . 31205 1 197 . 1 . 1 21 21 MET CB C 13 33.184 0.000 . 1 . . . . A 657 MET CB . 31205 1 198 . 1 . 1 21 21 MET CG C 13 31.652 0.000 . 1 . . . . A 657 MET CG . 31205 1 199 . 1 . 1 21 21 MET CE C 13 17.201 0.000 . 1 . . . . A 657 MET CE . 31205 1 200 . 1 . 1 21 21 MET N N 15 116.796 0.000 . 1 . . . . A 657 MET N . 31205 1 201 . 1 . 1 22 22 LYS HA H 1 4.096 0.000 . 1 . . . . A 658 LYS HA . 31205 1 202 . 1 . 1 22 22 LYS HB2 H 1 1.948 0.000 . 2 . . . . A 658 LYS HB2 . 31205 1 203 . 1 . 1 22 22 LYS HB3 H 1 1.948 0.000 . 2 . . . . A 658 LYS HB3 . 31205 1 204 . 1 . 1 22 22 LYS HG2 H 1 1.510 0.000 . 2 . . . . A 658 LYS HG2 . 31205 1 205 . 1 . 1 22 22 LYS HG3 H 1 1.510 0.000 . 2 . . . . A 658 LYS HG3 . 31205 1 206 . 1 . 1 22 22 LYS HD2 H 1 1.708 0.000 . 2 . . . . A 658 LYS HD2 . 31205 1 207 . 1 . 1 22 22 LYS HD3 H 1 1.708 0.000 . 2 . . . . A 658 LYS HD3 . 31205 1 208 . 1 . 1 22 22 LYS HE2 H 1 3.000 0.000 . 2 . . . . A 658 LYS HE2 . 31205 1 209 . 1 . 1 22 22 LYS HE3 H 1 3.000 0.000 . 2 . . . . A 658 LYS HE3 . 31205 1 210 . 1 . 1 22 22 LYS C C 13 177.436 0.000 . 1 . . . . A 658 LYS C . 31205 1 211 . 1 . 1 22 22 LYS CA C 13 58.705 0.000 . 1 . . . . A 658 LYS CA . 31205 1 212 . 1 . 1 22 22 LYS CB C 13 32.590 0.000 . 1 . . . . A 658 LYS CB . 31205 1 213 . 1 . 1 22 22 LYS CG C 13 25.733 0.000 . 1 . . . . A 658 LYS CG . 31205 1 214 . 1 . 1 22 22 LYS CD C 13 31.146 0.000 . 1 . . . . A 658 LYS CD . 31205 1 215 . 1 . 1 22 22 LYS CE C 13 44.996 0.000 . 1 . . . . A 658 LYS CE . 31205 1 216 . 1 . 1 23 23 GLN H H 1 7.521 0.000 . 1 . . . . A 659 GLN H . 31205 1 217 . 1 . 1 23 23 GLN HA H 1 4.325 0.000 . 1 . . . . A 659 GLN HA . 31205 1 218 . 1 . 1 23 23 GLN HB2 H 1 2.343 0.000 . 2 . . . . A 659 GLN HB2 . 31205 1 219 . 1 . 1 23 23 GLN HB3 H 1 2.090 0.000 . 2 . . . . A 659 GLN HB3 . 31205 1 220 . 1 . 1 23 23 GLN HG2 H 1 2.468 0.000 . 2 . . . . A 659 GLN HG2 . 31205 1 221 . 1 . 1 23 23 GLN HG3 H 1 2.452 0.000 . 2 . . . . A 659 GLN HG3 . 31205 1 222 . 1 . 1 23 23 GLN C C 13 176.271 0.000 . 1 . . . . A 659 GLN C . 31205 1 223 . 1 . 1 23 23 GLN CA C 13 55.936 0.000 . 1 . . . . A 659 GLN CA . 31205 1 224 . 1 . 1 23 23 GLN CB C 13 29.156 0.000 . 1 . . . . A 659 GLN CB . 31205 1 225 . 1 . 1 23 23 GLN CG C 13 33.634 0.000 . 1 . . . . A 659 GLN CG . 31205 1 226 . 1 . 1 23 23 GLN N N 15 115.296 0.000 . 1 . . . . A 659 GLN N . 31205 1 227 . 1 . 1 24 24 VAL H H 1 7.466 0.000 . 1 . . . . A 660 VAL H . 31205 1 228 . 1 . 1 24 24 VAL HA H 1 4.035 0.000 . 1 . . . . A 660 VAL HA . 31205 1 229 . 1 . 1 24 24 VAL HB H 1 2.033 0.000 . 1 . . . . A 660 VAL HB . 31205 1 230 . 1 . 1 24 24 VAL HG11 H 1 0.986 0.000 . 2 . . . . A 660 VAL HG11 . 31205 1 231 . 1 . 1 24 24 VAL HG12 H 1 0.986 0.000 . 2 . . . . A 660 VAL HG12 . 31205 1 232 . 1 . 1 24 24 VAL HG13 H 1 0.986 0.000 . 2 . . . . A 660 VAL HG13 . 31205 1 233 . 1 . 1 24 24 VAL HG21 H 1 0.877 0.000 . 2 . . . . A 660 VAL HG21 . 31205 1 234 . 1 . 1 24 24 VAL HG22 H 1 0.877 0.000 . 2 . . . . A 660 VAL HG22 . 31205 1 235 . 1 . 1 24 24 VAL HG23 H 1 0.877 0.000 . 2 . . . . A 660 VAL HG23 . 31205 1 236 . 1 . 1 24 24 VAL CA C 13 62.688 0.000 . 1 . . . . A 660 VAL CA . 31205 1 237 . 1 . 1 24 24 VAL CB C 13 31.773 0.000 . 1 . . . . A 660 VAL CB . 31205 1 238 . 1 . 1 24 24 VAL CG1 C 13 21.404 0.000 . 2 . . . . A 660 VAL CG1 . 31205 1 239 . 1 . 1 24 24 VAL CG2 C 13 21.560 0.000 . 2 . . . . A 660 VAL CG2 . 31205 1 240 . 1 . 1 24 24 VAL N N 15 118.296 0.000 . 1 . . . . A 660 VAL N . 31205 1 241 . 1 . 1 25 25 LYS HA H 1 4.337 0.000 . 1 . . . . A 661 LYS HA . 31205 1 242 . 1 . 1 25 25 LYS HB2 H 1 1.872 0.000 . 2 . . . . A 661 LYS HB2 . 31205 1 243 . 1 . 1 25 25 LYS HB3 H 1 1.797 0.000 . 2 . . . . A 661 LYS HB3 . 31205 1 244 . 1 . 1 25 25 LYS HG2 H 1 1.491 0.000 . 2 . . . . A 661 LYS HG2 . 31205 1 245 . 1 . 1 25 25 LYS HG3 H 1 1.491 0.000 . 2 . . . . A 661 LYS HG3 . 31205 1 246 . 1 . 1 25 25 LYS HD2 H 1 1.686 0.000 . 2 . . . . A 661 LYS HD2 . 31205 1 247 . 1 . 1 25 25 LYS HD3 H 1 1.686 0.000 . 2 . . . . A 661 LYS HD3 . 31205 1 248 . 1 . 1 25 25 LYS HE2 H 1 2.984 0.000 . 2 . . . . A 661 LYS HE2 . 31205 1 249 . 1 . 1 25 25 LYS HE3 H 1 2.984 0.000 . 2 . . . . A 661 LYS HE3 . 31205 1 250 . 1 . 1 25 25 LYS C C 13 176.324 0.000 . 1 . . . . A 661 LYS C . 31205 1 251 . 1 . 1 25 25 LYS CA C 13 56.208 0.000 . 1 . . . . A 661 LYS CA . 31205 1 252 . 1 . 1 25 25 LYS CB C 13 33.401 0.000 . 1 . . . . A 661 LYS CB . 31205 1 253 . 1 . 1 25 25 LYS CG C 13 24.442 0.000 . 1 . . . . A 661 LYS CG . 31205 1 254 . 1 . 1 25 25 LYS CD C 13 28.971 0.000 . 1 . . . . A 661 LYS CD . 31205 1 255 . 1 . 1 25 25 LYS CE C 13 41.847 0.000 . 1 . . . . A 661 LYS CE . 31205 1 256 . 1 . 1 26 26 HIS H H 1 8.332 0.000 . 1 . . . . A 662 HIS H . 31205 1 257 . 1 . 1 26 26 HIS HA H 1 4.628 0.000 . 1 . . . . A 662 HIS HA . 31205 1 258 . 1 . 1 26 26 HIS HB2 H 1 3.210 0.000 . 2 . . . . A 662 HIS HB2 . 31205 1 259 . 1 . 1 26 26 HIS HB3 H 1 3.046 0.000 . 2 . . . . A 662 HIS HB3 . 31205 1 260 . 1 . 1 26 26 HIS C C 13 174.742 0.000 . 1 . . . . A 662 HIS C . 31205 1 261 . 1 . 1 26 26 HIS CA C 13 56.560 0.000 . 1 . . . . A 662 HIS CA . 31205 1 262 . 1 . 1 26 26 HIS CB C 13 30.953 0.000 . 1 . . . . A 662 HIS CB . 31205 1 263 . 1 . 1 26 26 HIS N N 15 122.796 0.000 . 1 . . . . A 662 HIS N . 31205 1 264 . 1 . 1 27 27 ILE H H 1 7.549 0.000 . 1 . . . . A 663 ILE H . 31205 1 265 . 1 . 1 27 27 ILE HA H 1 4.447 0.000 . 1 . . . . A 663 ILE HA . 31205 1 266 . 1 . 1 27 27 ILE HB H 1 1.742 0.000 . 1 . . . . A 663 ILE HB . 31205 1 267 . 1 . 1 27 27 ILE HG12 H 1 1.378 0.000 . 2 . . . . A 663 ILE HG12 . 31205 1 268 . 1 . 1 27 27 ILE HG13 H 1 1.378 0.000 . 2 . . . . A 663 ILE HG13 . 31205 1 269 . 1 . 1 27 27 ILE HG21 H 1 0.879 0.000 . 1 . . . . A 663 ILE HG21 . 31205 1 270 . 1 . 1 27 27 ILE HG22 H 1 0.879 0.000 . 1 . . . . A 663 ILE HG22 . 31205 1 271 . 1 . 1 27 27 ILE HG23 H 1 0.879 0.000 . 1 . . . . A 663 ILE HG23 . 31205 1 272 . 1 . 1 27 27 ILE HD11 H 1 0.840 0.000 . 1 . . . . A 663 ILE HD11 . 31205 1 273 . 1 . 1 27 27 ILE HD12 H 1 0.840 0.000 . 1 . . . . A 663 ILE HD12 . 31205 1 274 . 1 . 1 27 27 ILE HD13 H 1 0.840 0.000 . 1 . . . . A 663 ILE HD13 . 31205 1 275 . 1 . 1 27 27 ILE CA C 13 58.209 0.000 . 1 . . . . A 663 ILE CA . 31205 1 276 . 1 . 1 27 27 ILE CB C 13 39.346 0.000 . 1 . . . . A 663 ILE CB . 31205 1 277 . 1 . 1 27 27 ILE CG1 C 13 27.256 0.000 . 1 . . . . A 663 ILE CG1 . 31205 1 278 . 1 . 1 27 27 ILE CG2 C 13 17.448 0.000 . 1 . . . . A 663 ILE CG2 . 31205 1 279 . 1 . 1 27 27 ILE CD1 C 13 13.217 0.000 . 1 . . . . A 663 ILE CD1 . 31205 1 280 . 1 . 1 27 27 ILE N N 15 123.171 0.000 . 1 . . . . A 663 ILE N . 31205 1 281 . 1 . 1 28 28 PRO HA H 1 4.459 0.000 . 1 . . . . A 664 PRO HA . 31205 1 282 . 1 . 1 28 28 PRO HG2 H 1 2.110 0.000 . 2 . . . . A 664 PRO HG2 . 31205 1 283 . 1 . 1 28 28 PRO HG3 H 1 2.110 0.000 . 2 . . . . A 664 PRO HG3 . 31205 1 284 . 1 . 1 28 28 PRO HD2 H 1 4.005 0.000 . 2 . . . . A 664 PRO HD2 . 31205 1 285 . 1 . 1 28 28 PRO HD3 H 1 3.571 0.000 . 2 . . . . A 664 PRO HD3 . 31205 1 286 . 1 . 1 28 28 PRO CA C 13 62.905 0.000 . 1 . . . . A 664 PRO CA . 31205 1 287 . 1 . 1 28 28 PRO CG C 13 27.734 0.000 . 1 . . . . A 664 PRO CG . 31205 1 288 . 1 . 1 28 28 PRO CD C 13 51.341 0.000 . 1 . . . . A 664 PRO CD . 31205 1 289 . 1 . 1 29 29 GLU HB2 H 1 2.072 0.000 . 2 . . . . A 665 GLU HB2 . 31205 1 290 . 1 . 1 29 29 GLU HB3 H 1 1.906 0.000 . 2 . . . . A 665 GLU HB3 . 31205 1 291 . 1 . 1 29 29 GLU HG2 H 1 2.133 0.000 . 2 . . . . A 665 GLU HG2 . 31205 1 292 . 1 . 1 29 29 GLU HG3 H 1 2.133 0.000 . 2 . . . . A 665 GLU HG3 . 31205 1 293 . 1 . 1 29 29 GLU CB C 13 31.214 0.000 . 1 . . . . A 665 GLU CB . 31205 1 294 . 1 . 1 29 29 GLU CG C 13 36.301 0.000 . 1 . . . . A 665 GLU CG . 31205 1 295 . 1 . 1 30 30 SER HA H 1 4.211 0.000 . 1 . . . . A 666 SER HA . 31205 1 296 . 1 . 1 30 30 SER HB2 H 1 3.981 0.000 . 2 . . . . A 666 SER HB2 . 31205 1 297 . 1 . 1 30 30 SER HB3 H 1 3.954 0.000 . 2 . . . . A 666 SER HB3 . 31205 1 298 . 1 . 1 30 30 SER C C 13 176.845 0.000 . 1 . . . . A 666 SER C . 31205 1 299 . 1 . 1 30 30 SER CA C 13 60.791 0.000 . 1 . . . . A 666 SER CA . 31205 1 300 . 1 . 1 30 30 SER CB C 13 61.808 0.000 . 1 . . . . A 666 SER CB . 31205 1 301 . 1 . 1 31 31 LYS H H 1 7.374 0.000 . 1 . . . . A 667 LYS H . 31205 1 302 . 1 . 1 31 31 LYS HA H 1 4.345 0.000 . 1 . . . . A 667 LYS HA . 31205 1 303 . 1 . 1 31 31 LYS HB2 H 1 1.901 0.000 . 2 . . . . A 667 LYS HB2 . 31205 1 304 . 1 . 1 31 31 LYS HB3 H 1 1.901 0.000 . 2 . . . . A 667 LYS HB3 . 31205 1 305 . 1 . 1 31 31 LYS HG2 H 1 1.481 0.000 . 2 . . . . A 667 LYS HG2 . 31205 1 306 . 1 . 1 31 31 LYS HG3 H 1 1.481 0.000 . 2 . . . . A 667 LYS HG3 . 31205 1 307 . 1 . 1 31 31 LYS HD2 H 1 1.753 0.000 . 2 . . . . A 667 LYS HD2 . 31205 1 308 . 1 . 1 31 31 LYS HD3 H 1 1.753 0.000 . 2 . . . . A 667 LYS HD3 . 31205 1 309 . 1 . 1 31 31 LYS HE2 H 1 3.019 0.000 . 2 . . . . A 667 LYS HE2 . 31205 1 310 . 1 . 1 31 31 LYS HE3 H 1 3.019 0.000 . 2 . . . . A 667 LYS HE3 . 31205 1 311 . 1 . 1 31 31 LYS C C 13 177.923 0.000 . 1 . . . . A 667 LYS C . 31205 1 312 . 1 . 1 31 31 LYS CA C 13 57.561 0.000 . 1 . . . . A 667 LYS CA . 31205 1 313 . 1 . 1 31 31 LYS CB C 13 32.841 0.000 . 1 . . . . A 667 LYS CB . 31205 1 314 . 1 . 1 31 31 LYS CG C 13 25.447 0.000 . 1 . . . . A 667 LYS CG . 31205 1 315 . 1 . 1 31 31 LYS CD C 13 29.064 0.000 . 1 . . . . A 667 LYS CD . 31205 1 316 . 1 . 1 31 31 LYS CE C 13 41.013 0.000 . 1 . . . . A 667 LYS CE . 31205 1 317 . 1 . 1 31 31 LYS N N 15 121.671 0.000 . 1 . . . . A 667 LYS N . 31205 1 318 . 1 . 1 32 32 LEU H H 1 7.860 0.000 . 1 . . . . A 668 LEU H . 31205 1 319 . 1 . 1 32 32 LEU HA H 1 4.028 0.000 . 1 . . . . A 668 LEU HA . 31205 1 320 . 1 . 1 32 32 LEU HB2 H 1 1.790 0.000 . 2 . . . . A 668 LEU HB2 . 31205 1 321 . 1 . 1 32 32 LEU HB3 H 1 1.790 0.000 . 2 . . . . A 668 LEU HB3 . 31205 1 322 . 1 . 1 32 32 LEU HG H 1 1.675 0.000 . 1 . . . . A 668 LEU HG . 31205 1 323 . 1 . 1 32 32 LEU HD11 H 1 0.930 0.000 . 2 . . . . A 668 LEU HD11 . 31205 1 324 . 1 . 1 32 32 LEU HD12 H 1 0.930 0.000 . 2 . . . . A 668 LEU HD12 . 31205 1 325 . 1 . 1 32 32 LEU HD13 H 1 0.930 0.000 . 2 . . . . A 668 LEU HD13 . 31205 1 326 . 1 . 1 32 32 LEU HD21 H 1 0.859 0.000 . 2 . . . . A 668 LEU HD21 . 31205 1 327 . 1 . 1 32 32 LEU HD22 H 1 0.859 0.000 . 2 . . . . A 668 LEU HD22 . 31205 1 328 . 1 . 1 32 32 LEU HD23 H 1 0.859 0.000 . 2 . . . . A 668 LEU HD23 . 31205 1 329 . 1 . 1 32 32 LEU C C 13 178.913 0.000 . 1 . . . . A 668 LEU C . 31205 1 330 . 1 . 1 32 32 LEU CA C 13 57.716 0.000 . 1 . . . . A 668 LEU CA . 31205 1 331 . 1 . 1 32 32 LEU CB C 13 41.765 0.000 . 1 . . . . A 668 LEU CB . 31205 1 332 . 1 . 1 32 32 LEU CG C 13 26.746 0.000 . 1 . . . . A 668 LEU CG . 31205 1 333 . 1 . 1 32 32 LEU CD1 C 13 25.171 0.000 . 2 . . . . A 668 LEU CD1 . 31205 1 334 . 1 . 1 32 32 LEU CD2 C 13 23.990 0.000 . 2 . . . . A 668 LEU CD2 . 31205 1 335 . 1 . 1 32 32 LEU N N 15 120.546 0.000 . 1 . . . . A 668 LEU N . 31205 1 336 . 1 . 1 33 33 THR H H 1 8.394 0.000 . 1 . . . . A 669 THR H . 31205 1 337 . 1 . 1 33 33 THR HA H 1 3.928 0.000 . 1 . . . . A 669 THR HA . 31205 1 338 . 1 . 1 33 33 THR HB H 1 4.275 0.000 . 1 . . . . A 669 THR HB . 31205 1 339 . 1 . 1 33 33 THR HG21 H 1 1.290 0.000 . 1 . . . . A 669 THR HG21 . 31205 1 340 . 1 . 1 33 33 THR HG22 H 1 1.290 0.000 . 1 . . . . A 669 THR HG22 . 31205 1 341 . 1 . 1 33 33 THR HG23 H 1 1.290 0.000 . 1 . . . . A 669 THR HG23 . 31205 1 342 . 1 . 1 33 33 THR CA C 13 66.257 0.000 . 1 . . . . A 669 THR CA . 31205 1 343 . 1 . 1 33 33 THR CB C 13 68.367 0.000 . 1 . . . . A 669 THR CB . 31205 1 344 . 1 . 1 33 33 THR CG2 C 13 21.853 0.000 . 1 . . . . A 669 THR CG2 . 31205 1 345 . 1 . 1 33 33 THR N N 15 114.546 0.000 . 1 . . . . A 669 THR N . 31205 1 346 . 1 . 1 34 34 SER HA H 1 4.318 0.000 . 1 . . . . A 670 SER HA . 31205 1 347 . 1 . 1 34 34 SER HB2 H 1 4.012 0.000 . 2 . . . . A 670 SER HB2 . 31205 1 348 . 1 . 1 34 34 SER HB3 H 1 3.937 0.000 . 2 . . . . A 670 SER HB3 . 31205 1 349 . 1 . 1 34 34 SER C C 13 176.584 0.000 . 1 . . . . A 670 SER C . 31205 1 350 . 1 . 1 34 34 SER CA C 13 61.657 0.000 . 1 . . . . A 670 SER CA . 31205 1 351 . 1 . 1 34 34 SER CB C 13 62.584 0.000 . 1 . . . . A 670 SER CB . 31205 1 352 . 1 . 1 35 35 LEU H H 1 8.133 0.000 . 1 . . . . A 671 LEU H . 31205 1 353 . 1 . 1 35 35 LEU HA H 1 4.044 0.000 . 1 . . . . A 671 LEU HA . 31205 1 354 . 1 . 1 35 35 LEU HB2 H 1 1.722 0.000 . 2 . . . . A 671 LEU HB2 . 31205 1 355 . 1 . 1 35 35 LEU HB3 H 1 1.660 0.000 . 2 . . . . A 671 LEU HB3 . 31205 1 356 . 1 . 1 35 35 LEU HG H 1 1.467 0.000 . 1 . . . . A 671 LEU HG . 31205 1 357 . 1 . 1 35 35 LEU HD11 H 1 0.864 0.000 . 2 . . . . A 671 LEU HD11 . 31205 1 358 . 1 . 1 35 35 LEU HD12 H 1 0.864 0.000 . 2 . . . . A 671 LEU HD12 . 31205 1 359 . 1 . 1 35 35 LEU HD13 H 1 0.864 0.000 . 2 . . . . A 671 LEU HD13 . 31205 1 360 . 1 . 1 35 35 LEU HD21 H 1 0.860 0.000 . 2 . . . . A 671 LEU HD21 . 31205 1 361 . 1 . 1 35 35 LEU HD22 H 1 0.860 0.000 . 2 . . . . A 671 LEU HD22 . 31205 1 362 . 1 . 1 35 35 LEU HD23 H 1 0.860 0.000 . 2 . . . . A 671 LEU HD23 . 31205 1 363 . 1 . 1 35 35 LEU C C 13 177.627 0.000 . 1 . . . . A 671 LEU C . 31205 1 364 . 1 . 1 35 35 LEU CA C 13 57.814 0.000 . 1 . . . . A 671 LEU CA . 31205 1 365 . 1 . 1 35 35 LEU CB C 13 41.934 0.000 . 1 . . . . A 671 LEU CB . 31205 1 366 . 1 . 1 35 35 LEU CG C 13 27.011 0.000 . 1 . . . . A 671 LEU CG . 31205 1 367 . 1 . 1 35 35 LEU CD1 C 13 25.335 0.000 . 2 . . . . A 671 LEU CD1 . 31205 1 368 . 1 . 1 35 35 LEU CD2 C 13 24.717 0.000 . 2 . . . . A 671 LEU CD2 . 31205 1 369 . 1 . 1 35 35 LEU N N 15 123.921 0.000 . 1 . . . . A 671 LEU N . 31205 1 370 . 1 . 1 36 36 ALA H H 1 8.348 0.000 . 1 . . . . A 672 ALA H . 31205 1 371 . 1 . 1 36 36 ALA HA H 1 3.859 0.000 . 1 . . . . A 672 ALA HA . 31205 1 372 . 1 . 1 36 36 ALA HB1 H 1 1.463 0.000 . 1 . . . . A 672 ALA HB1 . 31205 1 373 . 1 . 1 36 36 ALA HB2 H 1 1.463 0.000 . 1 . . . . A 672 ALA HB2 . 31205 1 374 . 1 . 1 36 36 ALA HB3 H 1 1.463 0.000 . 1 . . . . A 672 ALA HB3 . 31205 1 375 . 1 . 1 36 36 ALA C C 13 179.730 0.000 . 1 . . . . A 672 ALA C . 31205 1 376 . 1 . 1 36 36 ALA CA C 13 55.360 0.000 . 1 . . . . A 672 ALA CA . 31205 1 377 . 1 . 1 36 36 ALA CB C 13 18.139 0.000 . 1 . . . . A 672 ALA CB . 31205 1 378 . 1 . 1 36 36 ALA N N 15 120.546 0.000 . 1 . . . . A 672 ALA N . 31205 1 379 . 1 . 1 37 37 ALA H H 1 7.811 0.000 . 1 . . . . A 673 ALA H . 31205 1 380 . 1 . 1 37 37 ALA HA H 1 3.903 0.000 . 1 . . . . A 673 ALA HA . 31205 1 381 . 1 . 1 37 37 ALA HB1 H 1 1.509 0.000 . 1 . . . . A 673 ALA HB1 . 31205 1 382 . 1 . 1 37 37 ALA HB2 H 1 1.509 0.000 . 1 . . . . A 673 ALA HB2 . 31205 1 383 . 1 . 1 37 37 ALA HB3 H 1 1.509 0.000 . 1 . . . . A 673 ALA HB3 . 31205 1 384 . 1 . 1 37 37 ALA C C 13 179.921 0.000 . 1 . . . . A 673 ALA C . 31205 1 385 . 1 . 1 37 37 ALA CA C 13 54.936 0.000 . 1 . . . . A 673 ALA CA . 31205 1 386 . 1 . 1 37 37 ALA CB C 13 18.191 0.000 . 1 . . . . A 673 ALA CB . 31205 1 387 . 1 . 1 37 37 ALA N N 15 119.421 0.000 . 1 . . . . A 673 ALA N . 31205 1 388 . 1 . 1 38 38 ALA H H 1 7.760 0.000 . 1 . . . . A 674 ALA H . 31205 1 389 . 1 . 1 38 38 ALA HA H 1 4.199 0.000 . 1 . . . . A 674 ALA HA . 31205 1 390 . 1 . 1 38 38 ALA HB1 H 1 1.487 0.000 . 1 . . . . A 674 ALA HB1 . 31205 1 391 . 1 . 1 38 38 ALA HB2 H 1 1.487 0.000 . 1 . . . . A 674 ALA HB2 . 31205 1 392 . 1 . 1 38 38 ALA HB3 H 1 1.487 0.000 . 1 . . . . A 674 ALA HB3 . 31205 1 393 . 1 . 1 38 38 ALA C C 13 180.182 0.000 . 1 . . . . A 674 ALA C . 31205 1 394 . 1 . 1 38 38 ALA CA C 13 54.494 0.000 . 1 . . . . A 674 ALA CA . 31205 1 395 . 1 . 1 38 38 ALA CB C 13 18.134 0.000 . 1 . . . . A 674 ALA CB . 31205 1 396 . 1 . 1 38 38 ALA N N 15 120.546 0.000 . 1 . . . . A 674 ALA N . 31205 1 397 . 1 . 1 39 39 LEU H H 1 8.019 0.000 . 1 . . . . A 675 LEU H . 31205 1 398 . 1 . 1 39 39 LEU HA H 1 4.084 0.000 . 1 . . . . A 675 LEU HA . 31205 1 399 . 1 . 1 39 39 LEU HB2 H 1 1.835 0.000 . 2 . . . . A 675 LEU HB2 . 31205 1 400 . 1 . 1 39 39 LEU HB3 H 1 1.537 0.000 . 2 . . . . A 675 LEU HB3 . 31205 1 401 . 1 . 1 39 39 LEU HG H 1 1.696 0.000 . 1 . . . . A 675 LEU HG . 31205 1 402 . 1 . 1 39 39 LEU HD11 H 1 0.809 0.000 . 2 . . . . A 675 LEU HD11 . 31205 1 403 . 1 . 1 39 39 LEU HD12 H 1 0.809 0.000 . 2 . . . . A 675 LEU HD12 . 31205 1 404 . 1 . 1 39 39 LEU HD13 H 1 0.809 0.000 . 2 . . . . A 675 LEU HD13 . 31205 1 405 . 1 . 1 39 39 LEU HD21 H 1 0.801 0.000 . 2 . . . . A 675 LEU HD21 . 31205 1 406 . 1 . 1 39 39 LEU HD22 H 1 0.801 0.000 . 2 . . . . A 675 LEU HD22 . 31205 1 407 . 1 . 1 39 39 LEU HD23 H 1 0.801 0.000 . 2 . . . . A 675 LEU HD23 . 31205 1 408 . 1 . 1 39 39 LEU C C 13 178.218 0.000 . 1 . . . . A 675 LEU C . 31205 1 409 . 1 . 1 39 39 LEU CA C 13 56.388 0.000 . 1 . . . . A 675 LEU CA . 31205 1 410 . 1 . 1 39 39 LEU CB C 13 41.794 0.012 . 1 . . . . A 675 LEU CB . 31205 1 411 . 1 . 1 39 39 LEU CG C 13 27.063 0.000 . 1 . . . . A 675 LEU CG . 31205 1 412 . 1 . 1 39 39 LEU CD1 C 13 26.061 0.000 . 2 . . . . A 675 LEU CD1 . 31205 1 413 . 1 . 1 39 39 LEU CD2 C 13 23.263 0.000 . 2 . . . . A 675 LEU CD2 . 31205 1 414 . 1 . 1 39 39 LEU N N 15 116.796 0.000 . 1 . . . . A 675 LEU N . 31205 1 415 . 1 . 1 40 40 ALA H H 1 7.719 0.000 . 1 . . . . A 676 ALA H . 31205 1 416 . 1 . 1 40 40 ALA HA H 1 4.131 0.000 . 1 . . . . A 676 ALA HA . 31205 1 417 . 1 . 1 40 40 ALA HB1 H 1 1.528 0.000 . 1 . . . . A 676 ALA HB1 . 31205 1 418 . 1 . 1 40 40 ALA HB2 H 1 1.528 0.000 . 1 . . . . A 676 ALA HB2 . 31205 1 419 . 1 . 1 40 40 ALA HB3 H 1 1.528 0.000 . 1 . . . . A 676 ALA HB3 . 31205 1 420 . 1 . 1 40 40 ALA C C 13 178.735 0.000 . 1 . . . . A 676 ALA C . 31205 1 421 . 1 . 1 40 40 ALA CA C 13 54.450 0.000 . 1 . . . . A 676 ALA CA . 31205 1 422 . 1 . 1 40 40 ALA CB C 13 18.615 0.000 . 1 . . . . A 676 ALA CB . 31205 1 423 . 1 . 1 40 40 ALA N N 15 121.296 0.000 . 1 . . . . A 676 ALA N . 31205 1 424 . 1 . 1 41 41 GLU H H 1 7.586 0.000 . 1 . . . . A 677 GLU H . 31205 1 425 . 1 . 1 41 41 GLU HA H 1 4.301 0.000 . 1 . . . . A 677 GLU HA . 31205 1 426 . 1 . 1 41 41 GLU HB2 H 1 2.086 0.000 . 2 . . . . A 677 GLU HB2 . 31205 1 427 . 1 . 1 41 41 GLU HB3 H 1 1.991 0.000 . 2 . . . . A 677 GLU HB3 . 31205 1 428 . 1 . 1 41 41 GLU HG2 H 1 2.399 0.000 . 2 . . . . A 677 GLU HG2 . 31205 1 429 . 1 . 1 41 41 GLU HG3 H 1 2.262 0.000 . 2 . . . . A 677 GLU HG3 . 31205 1 430 . 1 . 1 41 41 GLU C C 13 176.584 0.000 . 1 . . . . A 677 GLU C . 31205 1 431 . 1 . 1 41 41 GLU CA C 13 56.262 0.000 . 1 . . . . A 677 GLU CA . 31205 1 432 . 1 . 1 41 41 GLU CB C 13 29.741 0.000 . 1 . . . . A 677 GLU CB . 31205 1 433 . 1 . 1 41 41 GLU CG C 13 36.314 0.000 . 1 . . . . A 677 GLU CG . 31205 1 434 . 1 . 1 41 41 GLU N N 15 115.296 0.000 . 1 . . . . A 677 GLU N . 31205 1 435 . 1 . 1 42 42 ALA H H 1 7.468 0.000 . 1 . . . . A 678 ALA H . 31205 1 436 . 1 . 1 42 42 ALA HA H 1 4.320 0.000 . 1 . . . . A 678 ALA HA . 31205 1 437 . 1 . 1 42 42 ALA HB1 H 1 1.386 0.000 . 1 . . . . A 678 ALA HB1 . 31205 1 438 . 1 . 1 42 42 ALA HB2 H 1 1.386 0.000 . 1 . . . . A 678 ALA HB2 . 31205 1 439 . 1 . 1 42 42 ALA HB3 H 1 1.386 0.000 . 1 . . . . A 678 ALA HB3 . 31205 1 440 . 1 . 1 42 42 ALA C C 13 178.235 0.000 . 1 . . . . A 678 ALA C . 31205 1 441 . 1 . 1 42 42 ALA CA C 13 52.691 0.000 . 1 . . . . A 678 ALA CA . 31205 1 442 . 1 . 1 42 42 ALA CB C 13 18.489 0.000 . 1 . . . . A 678 ALA CB . 31205 1 443 . 1 . 1 42 42 ALA N N 15 123.171 0.000 . 1 . . . . A 678 ALA N . 31205 1 444 . 1 . 1 43 43 LYS H H 1 8.400 0.000 . 1 . . . . A 679 LYS H . 31205 1 445 . 1 . 1 43 43 LYS HA H 1 4.101 0.000 . 1 . . . . A 679 LYS HA . 31205 1 446 . 1 . 1 43 43 LYS HB2 H 1 2.202 0.000 . 2 . . . . A 679 LYS HB2 . 31205 1 447 . 1 . 1 43 43 LYS HB3 H 1 1.971 0.000 . 2 . . . . A 679 LYS HB3 . 31205 1 448 . 1 . 1 43 43 LYS HG2 H 1 1.450 0.000 . 2 . . . . A 679 LYS HG2 . 31205 1 449 . 1 . 1 43 43 LYS HG3 H 1 1.450 0.000 . 2 . . . . A 679 LYS HG3 . 31205 1 450 . 1 . 1 43 43 LYS HD2 H 1 1.624 0.000 . 2 . . . . A 679 LYS HD2 . 31205 1 451 . 1 . 1 43 43 LYS HD3 H 1 1.624 0.000 . 2 . . . . A 679 LYS HD3 . 31205 1 452 . 1 . 1 43 43 LYS HE2 H 1 2.720 0.000 . 2 . . . . A 679 LYS HE2 . 31205 1 453 . 1 . 1 43 43 LYS HE3 H 1 2.358 0.000 . 2 . . . . A 679 LYS HE3 . 31205 1 454 . 1 . 1 43 43 LYS C C 13 178.027 0.000 . 1 . . . . A 679 LYS C . 31205 1 455 . 1 . 1 43 43 LYS CA C 13 58.195 0.000 . 1 . . . . A 679 LYS CA . 31205 1 456 . 1 . 1 43 43 LYS CB C 13 32.675 0.000 . 1 . . . . A 679 LYS CB . 31205 1 457 . 1 . 1 43 43 LYS CG C 13 25.817 0.000 . 1 . . . . A 679 LYS CG . 31205 1 458 . 1 . 1 43 43 LYS CD C 13 29.027 0.000 . 1 . . . . A 679 LYS CD . 31205 1 459 . 1 . 1 43 43 LYS CE C 13 41.783 0.000 . 1 . . . . A 679 LYS CE . 31205 1 460 . 1 . 1 43 43 LYS N N 15 123.546 0.000 . 1 . . . . A 679 LYS N . 31205 1 461 . 1 . 1 44 44 ASP H H 1 7.897 0.000 . 1 . . . . A 680 ASP H . 31205 1 462 . 1 . 1 44 44 ASP HA H 1 4.521 0.000 . 1 . . . . A 680 ASP HA . 31205 1 463 . 1 . 1 44 44 ASP HB2 H 1 2.888 0.000 . 2 . . . . A 680 ASP HB2 . 31205 1 464 . 1 . 1 44 44 ASP HB3 H 1 2.772 0.000 . 2 . . . . A 680 ASP HB3 . 31205 1 465 . 1 . 1 44 44 ASP C C 13 176.254 0.000 . 1 . . . . A 680 ASP C . 31205 1 466 . 1 . 1 44 44 ASP CA C 13 54.754 0.000 . 1 . . . . A 680 ASP CA . 31205 1 467 . 1 . 1 44 44 ASP CB C 13 40.429 0.000 . 1 . . . . A 680 ASP CB . 31205 1 468 . 1 . 1 44 44 ASP N N 15 117.171 0.000 . 1 . . . . A 680 ASP N . 31205 1 469 . 1 . 1 45 45 GLY H H 1 8.227 0.000 . 1 . . . . A 681 GLY H . 31205 1 470 . 1 . 1 45 45 GLY HA2 H 1 4.096 0.000 . 2 . . . . A 681 GLY HA2 . 31205 1 471 . 1 . 1 45 45 GLY HA3 H 1 3.874 0.000 . 2 . . . . A 681 GLY HA3 . 31205 1 472 . 1 . 1 45 45 GLY C C 13 174.255 0.000 . 1 . . . . A 681 GLY C . 31205 1 473 . 1 . 1 45 45 GLY CA C 13 46.048 0.000 . 1 . . . . A 681 GLY CA . 31205 1 474 . 1 . 1 45 45 GLY N N 15 105.546 0.000 . 1 . . . . A 681 GLY N . 31205 1 475 . 1 . 1 46 46 LYS H H 1 7.759 0.000 . 1 . . . . A 682 LYS H . 31205 1 476 . 1 . 1 46 46 LYS HA H 1 4.960 0.000 . 1 . . . . A 682 LYS HA . 31205 1 477 . 1 . 1 46 46 LYS HB2 H 1 1.757 0.000 . 2 . . . . A 682 LYS HB2 . 31205 1 478 . 1 . 1 46 46 LYS HB3 H 1 1.666 0.000 . 2 . . . . A 682 LYS HB3 . 31205 1 479 . 1 . 1 46 46 LYS HG2 H 1 1.408 0.000 . 2 . . . . A 682 LYS HG2 . 31205 1 480 . 1 . 1 46 46 LYS HG3 H 1 1.284 0.000 . 2 . . . . A 682 LYS HG3 . 31205 1 481 . 1 . 1 46 46 LYS HD2 H 1 1.610 0.000 . 2 . . . . A 682 LYS HD2 . 31205 1 482 . 1 . 1 46 46 LYS HD3 H 1 1.610 0.000 . 2 . . . . A 682 LYS HD3 . 31205 1 483 . 1 . 1 46 46 LYS HE2 H 1 2.961 0.000 . 2 . . . . A 682 LYS HE2 . 31205 1 484 . 1 . 1 46 46 LYS HE3 H 1 2.961 0.000 . 2 . . . . A 682 LYS HE3 . 31205 1 485 . 1 . 1 46 46 LYS C C 13 174.620 0.000 . 1 . . . . A 682 LYS C . 31205 1 486 . 1 . 1 46 46 LYS CA C 13 55.107 0.000 . 1 . . . . A 682 LYS CA . 31205 1 487 . 1 . 1 46 46 LYS CB C 13 35.222 0.000 . 1 . . . . A 682 LYS CB . 31205 1 488 . 1 . 1 46 46 LYS CG C 13 24.602 0.022 . 1 . . . . A 682 LYS CG . 31205 1 489 . 1 . 1 46 46 LYS CD C 13 29.043 0.000 . 1 . . . . A 682 LYS CD . 31205 1 490 . 1 . 1 46 46 LYS CE C 13 42.797 0.000 . 1 . . . . A 682 LYS CE . 31205 1 491 . 1 . 1 46 46 LYS N N 15 120.546 0.000 . 1 . . . . A 682 LYS N . 31205 1 492 . 1 . 1 47 47 VAL H H 1 8.604 0.000 . 1 . . . . A 683 VAL H . 31205 1 493 . 1 . 1 47 47 VAL HA H 1 4.449 0.000 . 1 . . . . A 683 VAL HA . 31205 1 494 . 1 . 1 47 47 VAL HB H 1 2.001 0.000 . 1 . . . . A 683 VAL HB . 31205 1 495 . 1 . 1 47 47 VAL HG11 H 1 0.858 0.000 . 2 . . . . A 683 VAL HG11 . 31205 1 496 . 1 . 1 47 47 VAL HG12 H 1 0.858 0.000 . 2 . . . . A 683 VAL HG12 . 31205 1 497 . 1 . 1 47 47 VAL HG13 H 1 0.858 0.000 . 2 . . . . A 683 VAL HG13 . 31205 1 498 . 1 . 1 47 47 VAL HG21 H 1 0.840 0.000 . 2 . . . . A 683 VAL HG21 . 31205 1 499 . 1 . 1 47 47 VAL HG22 H 1 0.840 0.000 . 2 . . . . A 683 VAL HG22 . 31205 1 500 . 1 . 1 47 47 VAL HG23 H 1 0.840 0.000 . 2 . . . . A 683 VAL HG23 . 31205 1 501 . 1 . 1 47 47 VAL C C 13 174.064 0.000 . 1 . . . . A 683 VAL C . 31205 1 502 . 1 . 1 47 47 VAL CA C 13 59.863 0.000 . 1 . . . . A 683 VAL CA . 31205 1 503 . 1 . 1 47 47 VAL CB C 13 34.840 0.000 . 1 . . . . A 683 VAL CB . 31205 1 504 . 1 . 1 47 47 VAL CG1 C 13 20.985 0.000 . 2 . . . . A 683 VAL CG1 . 31205 1 505 . 1 . 1 47 47 VAL CG2 C 13 20.806 0.000 . 2 . . . . A 683 VAL CG2 . 31205 1 506 . 1 . 1 47 47 VAL N N 15 118.296 0.000 . 1 . . . . A 683 VAL N . 31205 1 507 . 1 . 1 48 48 ASN H H 1 8.963 0.000 . 1 . . . . A 684 ASN H . 31205 1 508 . 1 . 1 48 48 ASN HA H 1 5.030 0.000 . 1 . . . . A 684 ASN HA . 31205 1 509 . 1 . 1 48 48 ASN HB2 H 1 2.971 0.000 . 2 . . . . A 684 ASN HB2 . 31205 1 510 . 1 . 1 48 48 ASN HB3 H 1 2.862 0.000 . 2 . . . . A 684 ASN HB3 . 31205 1 511 . 1 . 1 48 48 ASN C C 13 176.671 0.000 . 1 . . . . A 684 ASN C . 31205 1 512 . 1 . 1 48 48 ASN CA C 13 52.440 0.000 . 1 . . . . A 684 ASN CA . 31205 1 513 . 1 . 1 48 48 ASN CB C 13 39.014 0.000 . 1 . . . . A 684 ASN CB . 31205 1 514 . 1 . 1 48 48 ASN N N 15 124.671 0.000 . 1 . . . . A 684 ASN N . 31205 1 515 . 1 . 1 49 49 ILE H H 1 8.645 0.000 . 1 . . . . A 685 ILE H . 31205 1 516 . 1 . 1 49 49 ILE HA H 1 3.764 0.000 . 1 . . . . A 685 ILE HA . 31205 1 517 . 1 . 1 49 49 ILE HB H 1 1.880 0.000 . 1 . . . . A 685 ILE HB . 31205 1 518 . 1 . 1 49 49 ILE HG12 H 1 1.184 0.000 . 2 . . . . A 685 ILE HG12 . 31205 1 519 . 1 . 1 49 49 ILE HG13 H 1 1.519 0.000 . 2 . . . . A 685 ILE HG13 . 31205 1 520 . 1 . 1 49 49 ILE HG21 H 1 0.921 0.000 . 1 . . . . A 685 ILE HG21 . 31205 1 521 . 1 . 1 49 49 ILE HG22 H 1 0.921 0.000 . 1 . . . . A 685 ILE HG22 . 31205 1 522 . 1 . 1 49 49 ILE HG23 H 1 0.921 0.000 . 1 . . . . A 685 ILE HG23 . 31205 1 523 . 1 . 1 49 49 ILE HD11 H 1 0.791 0.000 . 1 . . . . A 685 ILE HD11 . 31205 1 524 . 1 . 1 49 49 ILE HD12 H 1 0.791 0.000 . 1 . . . . A 685 ILE HD12 . 31205 1 525 . 1 . 1 49 49 ILE HD13 H 1 0.791 0.000 . 1 . . . . A 685 ILE HD13 . 31205 1 526 . 1 . 1 49 49 ILE C C 13 176.567 0.000 . 1 . . . . A 685 ILE C . 31205 1 527 . 1 . 1 49 49 ILE CA C 13 63.994 0.000 . 1 . . . . A 685 ILE CA . 31205 1 528 . 1 . 1 49 49 ILE CB C 13 37.758 0.000 . 1 . . . . A 685 ILE CB . 31205 1 529 . 1 . 1 49 49 ILE CG1 C 13 28.944 0.000 . 1 . . . . A 685 ILE CG1 . 31205 1 530 . 1 . 1 49 49 ILE CG2 C 13 17.589 0.000 . 1 . . . . A 685 ILE CG2 . 31205 1 531 . 1 . 1 49 49 ILE CD1 C 13 12.826 0.000 . 1 . . . . A 685 ILE CD1 . 31205 1 532 . 1 . 1 49 49 ILE N N 15 124.671 0.000 . 1 . . . . A 685 ILE N . 31205 1 533 . 1 . 1 50 50 ASP H H 1 8.267 0.000 . 1 . . . . A 686 ASP H . 31205 1 534 . 1 . 1 50 50 ASP HA H 1 4.389 0.000 . 1 . . . . A 686 ASP HA . 31205 1 535 . 1 . 1 50 50 ASP HB2 H 1 2.655 0.000 . 2 . . . . A 686 ASP HB2 . 31205 1 536 . 1 . 1 50 50 ASP HB3 H 1 2.655 0.000 . 2 . . . . A 686 ASP HB3 . 31205 1 537 . 1 . 1 50 50 ASP C C 13 178.635 0.000 . 1 . . . . A 686 ASP C . 31205 1 538 . 1 . 1 50 50 ASP CA C 13 57.261 0.000 . 1 . . . . A 686 ASP CA . 31205 1 539 . 1 . 1 50 50 ASP CB C 13 40.276 0.000 . 1 . . . . A 686 ASP CB . 31205 1 540 . 1 . 1 50 50 ASP N N 15 119.796 0.000 . 1 . . . . A 686 ASP N . 31205 1 541 . 1 . 1 51 51 ASP H H 1 7.746 0.000 . 1 . . . . A 687 ASP H . 31205 1 542 . 1 . 1 51 51 ASP HA H 1 4.511 0.000 . 1 . . . . A 687 ASP HA . 31205 1 543 . 1 . 1 51 51 ASP HB2 H 1 2.840 0.000 . 2 . . . . A 687 ASP HB2 . 31205 1 544 . 1 . 1 51 51 ASP HB3 H 1 2.643 0.000 . 2 . . . . A 687 ASP HB3 . 31205 1 545 . 1 . 1 51 51 ASP C C 13 177.905 0.000 . 1 . . . . A 687 ASP C . 31205 1 546 . 1 . 1 51 51 ASP CA C 13 56.499 0.000 . 1 . . . . A 687 ASP CA . 31205 1 547 . 1 . 1 51 51 ASP CB C 13 40.710 0.000 . 1 . . . . A 687 ASP CB . 31205 1 548 . 1 . 1 51 51 ASP N N 15 119.046 0.000 . 1 . . . . A 687 ASP N . 31205 1 549 . 1 . 1 52 52 LEU H H 1 7.826 0.000 . 1 . . . . A 688 LEU H . 31205 1 550 . 1 . 1 52 52 LEU HA H 1 4.022 0.000 . 1 . . . . A 688 LEU HA . 31205 1 551 . 1 . 1 52 52 LEU HB2 H 1 1.680 0.000 . 2 . . . . A 688 LEU HB2 . 31205 1 552 . 1 . 1 52 52 LEU HB3 H 1 1.821 0.000 . 2 . . . . A 688 LEU HB3 . 31205 1 553 . 1 . 1 52 52 LEU HG H 1 1.493 0.000 . 1 . . . . A 688 LEU HG . 31205 1 554 . 1 . 1 52 52 LEU HD11 H 1 0.810 0.000 . 2 . . . . A 688 LEU HD11 . 31205 1 555 . 1 . 1 52 52 LEU HD12 H 1 0.810 0.000 . 2 . . . . A 688 LEU HD12 . 31205 1 556 . 1 . 1 52 52 LEU HD13 H 1 0.810 0.000 . 2 . . . . A 688 LEU HD13 . 31205 1 557 . 1 . 1 52 52 LEU HD21 H 1 0.839 0.000 . 2 . . . . A 688 LEU HD21 . 31205 1 558 . 1 . 1 52 52 LEU HD22 H 1 0.839 0.000 . 2 . . . . A 688 LEU HD22 . 31205 1 559 . 1 . 1 52 52 LEU HD23 H 1 0.839 0.000 . 2 . . . . A 688 LEU HD23 . 31205 1 560 . 1 . 1 52 52 LEU C C 13 178.114 0.000 . 1 . . . . A 688 LEU C . 31205 1 561 . 1 . 1 52 52 LEU CA C 13 57.451 0.000 . 1 . . . . A 688 LEU CA . 31205 1 562 . 1 . 1 52 52 LEU CB C 13 41.671 0.000 . 1 . . . . A 688 LEU CB . 31205 1 563 . 1 . 1 52 52 LEU CG C 13 26.326 0.000 . 1 . . . . A 688 LEU CG . 31205 1 564 . 1 . 1 52 52 LEU CD1 C 13 25.030 0.000 . 2 . . . . A 688 LEU CD1 . 31205 1 565 . 1 . 1 52 52 LEU CD2 C 13 24.697 0.000 . 2 . . . . A 688 LEU CD2 . 31205 1 566 . 1 . 1 52 52 LEU N N 15 120.546 0.000 . 1 . . . . A 688 LEU N . 31205 1 567 . 1 . 1 53 53 VAL H H 1 8.106 0.000 . 1 . . . . A 689 VAL H . 31205 1 568 . 1 . 1 53 53 VAL HA H 1 3.616 0.000 . 1 . . . . A 689 VAL HA . 31205 1 569 . 1 . 1 53 53 VAL HB H 1 2.183 0.000 . 1 . . . . A 689 VAL HB . 31205 1 570 . 1 . 1 53 53 VAL HG11 H 1 1.094 0.000 . 2 . . . . A 689 VAL HG11 . 31205 1 571 . 1 . 1 53 53 VAL HG12 H 1 1.094 0.000 . 2 . . . . A 689 VAL HG12 . 31205 1 572 . 1 . 1 53 53 VAL HG13 H 1 1.094 0.000 . 2 . . . . A 689 VAL HG13 . 31205 1 573 . 1 . 1 53 53 VAL HG21 H 1 0.959 0.000 . 2 . . . . A 689 VAL HG21 . 31205 1 574 . 1 . 1 53 53 VAL HG22 H 1 0.959 0.000 . 2 . . . . A 689 VAL HG22 . 31205 1 575 . 1 . 1 53 53 VAL HG23 H 1 0.959 0.000 . 2 . . . . A 689 VAL HG23 . 31205 1 576 . 1 . 1 53 53 VAL C C 13 177.401 0.000 . 1 . . . . A 689 VAL C . 31205 1 577 . 1 . 1 53 53 VAL CA C 13 66.304 0.000 . 1 . . . . A 689 VAL CA . 31205 1 578 . 1 . 1 53 53 VAL CB C 13 31.659 0.000 . 1 . . . . A 689 VAL CB . 31205 1 579 . 1 . 1 53 53 VAL CG1 C 13 22.386 0.000 . 2 . . . . A 689 VAL CG1 . 31205 1 580 . 1 . 1 53 53 VAL CG2 C 13 21.116 0.000 . 2 . . . . A 689 VAL CG2 . 31205 1 581 . 1 . 1 53 53 VAL N N 15 116.796 0.000 . 1 . . . . A 689 VAL N . 31205 1 582 . 1 . 1 54 54 LYS H H 1 7.399 0.000 . 1 . . . . A 690 LYS H . 31205 1 583 . 1 . 1 54 54 LYS HA H 1 4.159 0.000 . 1 . . . . A 690 LYS HA . 31205 1 584 . 1 . 1 54 54 LYS HB2 H 1 1.914 0.000 . 2 . . . . A 690 LYS HB2 . 31205 1 585 . 1 . 1 54 54 LYS HB3 H 1 1.914 0.000 . 2 . . . . A 690 LYS HB3 . 31205 1 586 . 1 . 1 54 54 LYS HG2 H 1 1.509 0.000 . 2 . . . . A 690 LYS HG2 . 31205 1 587 . 1 . 1 54 54 LYS HG3 H 1 1.509 0.000 . 2 . . . . A 690 LYS HG3 . 31205 1 588 . 1 . 1 54 54 LYS HD2 H 1 1.571 0.000 . 2 . . . . A 690 LYS HD2 . 31205 1 589 . 1 . 1 54 54 LYS HD3 H 1 1.571 0.000 . 2 . . . . A 690 LYS HD3 . 31205 1 590 . 1 . 1 54 54 LYS HE2 H 1 2.661 0.000 . 2 . . . . A 690 LYS HE2 . 31205 1 591 . 1 . 1 54 54 LYS HE3 H 1 2.661 0.000 . 2 . . . . A 690 LYS HE3 . 31205 1 592 . 1 . 1 54 54 LYS C C 13 178.600 0.000 . 1 . . . . A 690 LYS C . 31205 1 593 . 1 . 1 54 54 LYS CA C 13 58.663 0.000 . 1 . . . . A 690 LYS CA . 31205 1 594 . 1 . 1 54 54 LYS CB C 13 32.604 0.000 . 1 . . . . A 690 LYS CB . 31205 1 595 . 1 . 1 54 54 LYS CG C 13 25.265 0.000 . 1 . . . . A 690 LYS CG . 31205 1 596 . 1 . 1 54 54 LYS CD C 13 29.013 0.000 . 1 . . . . A 690 LYS CD . 31205 1 597 . 1 . 1 54 54 LYS CE C 13 42.181 0.000 . 1 . . . . A 690 LYS CE . 31205 1 598 . 1 . 1 54 54 LYS N N 15 118.296 0.000 . 1 . . . . A 690 LYS N . 31205 1 599 . 1 . 1 55 55 VAL H H 1 7.705 0.000 . 1 . . . . A 691 VAL H . 31205 1 600 . 1 . 1 55 55 VAL HA H 1 3.854 0.000 . 1 . . . . A 691 VAL HA . 31205 1 601 . 1 . 1 55 55 VAL HB H 1 2.275 0.000 . 1 . . . . A 691 VAL HB . 31205 1 602 . 1 . 1 55 55 VAL HG11 H 1 1.063 0.000 . 2 . . . . A 691 VAL HG11 . 31205 1 603 . 1 . 1 55 55 VAL HG12 H 1 1.063 0.000 . 2 . . . . A 691 VAL HG12 . 31205 1 604 . 1 . 1 55 55 VAL HG13 H 1 1.063 0.000 . 2 . . . . A 691 VAL HG13 . 31205 1 605 . 1 . 1 55 55 VAL HG21 H 1 0.922 0.000 . 2 . . . . A 691 VAL HG21 . 31205 1 606 . 1 . 1 55 55 VAL HG22 H 1 0.922 0.000 . 2 . . . . A 691 VAL HG22 . 31205 1 607 . 1 . 1 55 55 VAL HG23 H 1 0.922 0.000 . 2 . . . . A 691 VAL HG23 . 31205 1 608 . 1 . 1 55 55 VAL C C 13 177.245 0.000 . 1 . . . . A 691 VAL C . 31205 1 609 . 1 . 1 55 55 VAL CA C 13 65.184 0.000 . 1 . . . . A 691 VAL CA . 31205 1 610 . 1 . 1 55 55 VAL CB C 13 31.787 0.000 . 1 . . . . A 691 VAL CB . 31205 1 611 . 1 . 1 55 55 VAL CG1 C 13 22.549 0.000 . 2 . . . . A 691 VAL CG1 . 31205 1 612 . 1 . 1 55 55 VAL CG2 C 13 21.946 0.000 . 2 . . . . A 691 VAL CG2 . 31205 1 613 . 1 . 1 55 55 VAL N N 15 117.171 0.000 . 1 . . . . A 691 VAL N . 31205 1 614 . 1 . 1 56 56 ILE H H 1 7.983 0.000 . 1 . . . . A 692 ILE H . 31205 1 615 . 1 . 1 56 56 ILE HA H 1 3.783 0.000 . 1 . . . . A 692 ILE HA . 31205 1 616 . 1 . 1 56 56 ILE HB H 1 1.979 0.000 . 1 . . . . A 692 ILE HB . 31205 1 617 . 1 . 1 56 56 ILE HG12 H 1 1.222 0.000 . 2 . . . . A 692 ILE HG12 . 31205 1 618 . 1 . 1 56 56 ILE HG13 H 1 1.644 0.000 . 2 . . . . A 692 ILE HG13 . 31205 1 619 . 1 . 1 56 56 ILE HG21 H 1 0.922 0.000 . 1 . . . . A 692 ILE HG21 . 31205 1 620 . 1 . 1 56 56 ILE HG22 H 1 0.922 0.000 . 1 . . . . A 692 ILE HG22 . 31205 1 621 . 1 . 1 56 56 ILE HG23 H 1 0.922 0.000 . 1 . . . . A 692 ILE HG23 . 31205 1 622 . 1 . 1 56 56 ILE HD11 H 1 0.786 0.000 . 1 . . . . A 692 ILE HD11 . 31205 1 623 . 1 . 1 56 56 ILE HD12 H 1 0.786 0.000 . 1 . . . . A 692 ILE HD12 . 31205 1 624 . 1 . 1 56 56 ILE HD13 H 1 0.786 0.000 . 1 . . . . A 692 ILE HD13 . 31205 1 625 . 1 . 1 56 56 ILE C C 13 176.967 0.000 . 1 . . . . A 692 ILE C . 31205 1 626 . 1 . 1 56 56 ILE CA C 13 63.797 0.000 . 1 . . . . A 692 ILE CA . 31205 1 627 . 1 . 1 56 56 ILE CB C 13 37.547 0.000 . 1 . . . . A 692 ILE CB . 31205 1 628 . 1 . 1 56 56 ILE CG1 C 13 28.764 0.000 . 1 . . . . A 692 ILE CG1 . 31205 1 629 . 1 . 1 56 56 ILE CG2 C 13 17.465 0.000 . 1 . . . . A 692 ILE CG2 . 31205 1 630 . 1 . 1 56 56 ILE CD1 C 13 13.261 0.000 . 1 . . . . A 692 ILE CD1 . 31205 1 631 . 1 . 1 56 56 ILE N N 15 119.796 0.000 . 1 . . . . A 692 ILE N . 31205 1 632 . 1 . 1 57 57 GLU H H 1 7.968 0.000 . 1 . . . . A 693 GLU H . 31205 1 633 . 1 . 1 57 57 GLU HA H 1 4.122 0.000 . 1 . . . . A 693 GLU HA . 31205 1 634 . 1 . 1 57 57 GLU HB2 H 1 2.206 0.000 . 2 . . . . A 693 GLU HB2 . 31205 1 635 . 1 . 1 57 57 GLU HB3 H 1 2.093 0.000 . 2 . . . . A 693 GLU HB3 . 31205 1 636 . 1 . 1 57 57 GLU HG2 H 1 2.431 0.000 . 2 . . . . A 693 GLU HG2 . 31205 1 637 . 1 . 1 57 57 GLU HG3 H 1 2.431 0.000 . 2 . . . . A 693 GLU HG3 . 31205 1 638 . 1 . 1 57 57 GLU C C 13 177.627 0.000 . 1 . . . . A 693 GLU C . 31205 1 639 . 1 . 1 57 57 GLU CA C 13 58.619 0.000 . 1 . . . . A 693 GLU CA . 31205 1 640 . 1 . 1 57 57 GLU CB C 13 29.714 0.000 . 1 . . . . A 693 GLU CB . 31205 1 641 . 1 . 1 57 57 GLU CG C 13 36.632 0.000 . 1 . . . . A 693 GLU CG . 31205 1 642 . 1 . 1 57 57 GLU N N 15 119.421 0.000 . 1 . . . . A 693 GLU N . 31205 1 643 . 1 . 1 58 58 LEU H H 1 7.685 0.000 . 1 . . . . A 694 LEU H . 31205 1 644 . 1 . 1 58 58 LEU HA H 1 4.264 0.000 . 1 . . . . A 694 LEU HA . 31205 1 645 . 1 . 1 58 58 LEU HB2 H 1 1.619 0.000 . 2 . . . . A 694 LEU HB2 . 31205 1 646 . 1 . 1 58 58 LEU HB3 H 1 1.858 0.000 . 2 . . . . A 694 LEU HB3 . 31205 1 647 . 1 . 1 58 58 LEU HG H 1 1.439 0.000 . 1 . . . . A 694 LEU HG . 31205 1 648 . 1 . 1 58 58 LEU HD11 H 1 0.920 0.000 . 2 . . . . A 694 LEU HD11 . 31205 1 649 . 1 . 1 58 58 LEU HD12 H 1 0.920 0.000 . 2 . . . . A 694 LEU HD12 . 31205 1 650 . 1 . 1 58 58 LEU HD13 H 1 0.920 0.000 . 2 . . . . A 694 LEU HD13 . 31205 1 651 . 1 . 1 58 58 LEU HD21 H 1 0.902 0.000 . 2 . . . . A 694 LEU HD21 . 31205 1 652 . 1 . 1 58 58 LEU HD22 H 1 0.902 0.000 . 2 . . . . A 694 LEU HD22 . 31205 1 653 . 1 . 1 58 58 LEU HD23 H 1 0.902 0.000 . 2 . . . . A 694 LEU HD23 . 31205 1 654 . 1 . 1 58 58 LEU C C 13 178.305 0.000 . 1 . . . . A 694 LEU C . 31205 1 655 . 1 . 1 58 58 LEU CA C 13 56.379 0.000 . 1 . . . . A 694 LEU CA . 31205 1 656 . 1 . 1 58 58 LEU CB C 13 42.344 0.000 . 1 . . . . A 694 LEU CB . 31205 1 657 . 1 . 1 58 58 LEU CG C 13 26.720 0.000 . 1 . . . . A 694 LEU CG . 31205 1 658 . 1 . 1 58 58 LEU CD1 C 13 24.753 0.000 . 2 . . . . A 694 LEU CD1 . 31205 1 659 . 1 . 1 58 58 LEU CD2 C 13 23.554 0.000 . 2 . . . . A 694 LEU CD2 . 31205 1 660 . 1 . 1 58 58 LEU N N 15 119.421 0.000 . 1 . . . . A 694 LEU N . 31205 1 661 . 1 . 1 59 59 VAL H H 1 7.858 0.000 . 1 . . . . A 695 VAL H . 31205 1 662 . 1 . 1 59 59 VAL HA H 1 4.008 0.000 . 1 . . . . A 695 VAL HA . 31205 1 663 . 1 . 1 59 59 VAL HB H 1 2.191 0.000 . 1 . . . . A 695 VAL HB . 31205 1 664 . 1 . 1 59 59 VAL HG11 H 1 0.948 0.000 . 2 . . . . A 695 VAL HG11 . 31205 1 665 . 1 . 1 59 59 VAL HG12 H 1 0.948 0.000 . 2 . . . . A 695 VAL HG12 . 31205 1 666 . 1 . 1 59 59 VAL HG13 H 1 0.948 0.000 . 2 . . . . A 695 VAL HG13 . 31205 1 667 . 1 . 1 59 59 VAL HG21 H 1 0.929 0.000 . 2 . . . . A 695 VAL HG21 . 31205 1 668 . 1 . 1 59 59 VAL HG22 H 1 0.929 0.000 . 2 . . . . A 695 VAL HG22 . 31205 1 669 . 1 . 1 59 59 VAL HG23 H 1 0.929 0.000 . 2 . . . . A 695 VAL HG23 . 31205 1 670 . 1 . 1 59 59 VAL C C 13 176.150 0.000 . 1 . . . . A 695 VAL C . 31205 1 671 . 1 . 1 59 59 VAL CA C 13 63.418 0.000 . 1 . . . . A 695 VAL CA . 31205 1 672 . 1 . 1 59 59 VAL CB C 13 32.168 0.000 . 1 . . . . A 695 VAL CB . 31205 1 673 . 1 . 1 59 59 VAL CG1 C 13 21.645 0.000 . 2 . . . . A 695 VAL CG1 . 31205 1 674 . 1 . 1 59 59 VAL CG2 C 13 21.854 0.000 . 2 . . . . A 695 VAL CG2 . 31205 1 675 . 1 . 1 59 59 VAL N N 15 117.921 0.000 . 1 . . . . A 695 VAL N . 31205 1 676 . 1 . 1 60 60 ASP H H 1 8.150 0.000 . 1 . . . . A 696 ASP H . 31205 1 677 . 1 . 1 60 60 ASP HA H 1 4.633 0.000 . 1 . . . . A 696 ASP HA . 31205 1 678 . 1 . 1 60 60 ASP HB2 H 1 2.713 0.000 . 2 . . . . A 696 ASP HB2 . 31205 1 679 . 1 . 1 60 60 ASP HB3 H 1 2.611 0.000 . 2 . . . . A 696 ASP HB3 . 31205 1 680 . 1 . 1 60 60 ASP C C 13 175.959 0.000 . 1 . . . . A 696 ASP C . 31205 1 681 . 1 . 1 60 60 ASP CA C 13 54.577 0.000 . 1 . . . . A 696 ASP CA . 31205 1 682 . 1 . 1 60 60 ASP CB C 13 41.321 0.000 . 1 . . . . A 696 ASP CB . 31205 1 683 . 1 . 1 60 60 ASP N N 15 122.046 0.000 . 1 . . . . A 696 ASP N . 31205 1 684 . 1 . 1 61 61 LYS H H 1 7.760 0.000 . 1 . . . . A 697 LYS H . 31205 1 685 . 1 . 1 61 61 LYS HA H 1 4.387 0.000 . 1 . . . . A 697 LYS HA . 31205 1 686 . 1 . 1 61 61 LYS HE2 H 1 2.657 0.000 . 2 . . . . A 697 LYS HE2 . 31205 1 687 . 1 . 1 61 61 LYS HE3 H 1 2.582 0.000 . 2 . . . . A 697 LYS HE3 . 31205 1 688 . 1 . 1 61 61 LYS CA C 13 55.855 0.000 . 1 . . . . A 697 LYS CA . 31205 1 689 . 1 . 1 61 61 LYS CE C 13 42.400 0.000 . 1 . . . . A 697 LYS CE . 31205 1 690 . 1 . 1 61 61 LYS N N 15 120.546 0.000 . 1 . . . . A 697 LYS N . 31205 1 691 . 1 . 1 62 62 GLU HA H 1 4.340 0.000 . 1 . . . . A 698 GLU HA . 31205 1 692 . 1 . 1 62 62 GLU HB2 H 1 2.110 0.000 . 2 . . . . A 698 GLU HB2 . 31205 1 693 . 1 . 1 62 62 GLU HB3 H 1 1.940 0.000 . 2 . . . . A 698 GLU HB3 . 31205 1 694 . 1 . 1 62 62 GLU HG2 H 1 2.271 0.000 . 2 . . . . A 698 GLU HG2 . 31205 1 695 . 1 . 1 62 62 GLU HG3 H 1 2.271 0.000 . 2 . . . . A 698 GLU HG3 . 31205 1 696 . 1 . 1 62 62 GLU C C 13 175.229 0.000 . 1 . . . . A 698 GLU C . 31205 1 697 . 1 . 1 62 62 GLU CA C 13 56.498 0.000 . 1 . . . . A 698 GLU CA . 31205 1 698 . 1 . 1 62 62 GLU CB C 13 30.556 0.000 . 1 . . . . A 698 GLU CB . 31205 1 699 . 1 . 1 62 62 GLU CG C 13 36.433 0.000 . 1 . . . . A 698 GLU CG . 31205 1 700 . 1 . 1 63 63 ASP H H 1 7.971 0.000 . 1 . . . . A 699 ASP H . 31205 1 701 . 1 . 1 63 63 ASP HA H 1 4.359 0.000 . 1 . . . . A 699 ASP HA . 31205 1 702 . 1 . 1 63 63 ASP HB2 H 1 2.650 0.000 . 2 . . . . A 699 ASP HB2 . 31205 1 703 . 1 . 1 63 63 ASP HB3 H 1 2.588 0.000 . 2 . . . . A 699 ASP HB3 . 31205 1 704 . 1 . 1 63 63 ASP CA C 13 55.754 0.000 . 1 . . . . A 699 ASP CA . 31205 1 705 . 1 . 1 63 63 ASP CB C 13 42.280 0.000 . 1 . . . . A 699 ASP CB . 31205 1 706 . 1 . 1 63 63 ASP N N 15 127.296 0.000 . 1 . . . . A 699 ASP N . 31205 1 stop_ save_