data_34609 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34609 _Entry.Title ; NMR structure of GIPC1-GH2 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-03-04 _Entry.Accession_date 2021-03-04 _Entry.Last_release_date 2021-03-29 _Entry.Original_release_date 2021-03-29 _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 P. Barthe P. . . . 34609 2 C. Roumestand C. . . . 34609 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'ALPHA-HELICAL BUNDLE' . 34609 ENDOCYTOSIS . 34609 'PROTEIN BINDING' . 34609 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34609 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 222 34609 '15N chemical shifts' 78 34609 '1H chemical shifts' 532 34609 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 2021-03-04 update BMRB 'update entry citation' 34609 1 . . 2021-04-11 2021-03-04 original author 'original release' 34609 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 7NRN 'BMRB Entry Tracking System' 34609 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34609 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33808390 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Pressure and Chemical Unfolding of an alpha-Helical Bundle Protein: the GH2 Domain of the Protein Adaptor GIPC1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 22 _Citation.Journal_issue 7 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _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 3597 _Citation.Page_last 3597 _Citation.Year 2021 _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 Cecile Dubois C. . . . 34609 1 2 Vicente Planelles-Herrero V. J. . . 34609 1 3 Camille Tillatte-Tripodi C. . . . 34609 1 4 Stephane Delbecq S. . . . 34609 1 5 Lea Mammri L. . . . 34609 1 6 Elena Sirkia E. M. . . 34609 1 7 Virginie Ropars V. . . . 34609 1 8 Christian Roumestand C. . . . 34609 1 9 Philippe Barthe P. . . . 34609 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34609 _Assembly.ID 1 _Assembly.Name 'PDZ domain-containing protein GIPC1' _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 . . . . . . 34609 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34609 _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 ; GAMGDLPSAFEEKAIEKVDD LLESYMGIRDTELAATMVEL GKDKRNPDELAEALDERLGD FAFPDEFVFDVWGAIGDAKV GRY ; _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 83 _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 9181.199 _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 'GAIP C-terminus-interacting protein' common 34609 1 'RGS-GAIP-interacting protein' common 34609 1 'RGS19-interacting protein 1' common 34609 1 SEMCAP-1 common 34609 1 'SemaF cytoplasmic domain-associated protein 1' common 34609 1 Synectin common 34609 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 -3 GLY . 34609 1 2 -2 ALA . 34609 1 3 -1 MET . 34609 1 4 0 GLY . 34609 1 5 1 ASP . 34609 1 6 2 LEU . 34609 1 7 3 PRO . 34609 1 8 4 SER . 34609 1 9 5 ALA . 34609 1 10 6 PHE . 34609 1 11 7 GLU . 34609 1 12 8 GLU . 34609 1 13 9 LYS . 34609 1 14 10 ALA . 34609 1 15 11 ILE . 34609 1 16 12 GLU . 34609 1 17 13 LYS . 34609 1 18 14 VAL . 34609 1 19 15 ASP . 34609 1 20 16 ASP . 34609 1 21 17 LEU . 34609 1 22 18 LEU . 34609 1 23 19 GLU . 34609 1 24 20 SER . 34609 1 25 21 TYR . 34609 1 26 22 MET . 34609 1 27 23 GLY . 34609 1 28 24 ILE . 34609 1 29 25 ARG . 34609 1 30 26 ASP . 34609 1 31 27 THR . 34609 1 32 28 GLU . 34609 1 33 29 LEU . 34609 1 34 30 ALA . 34609 1 35 31 ALA . 34609 1 36 32 THR . 34609 1 37 33 MET . 34609 1 38 34 VAL . 34609 1 39 35 GLU . 34609 1 40 36 LEU . 34609 1 41 37 GLY . 34609 1 42 38 LYS . 34609 1 43 39 ASP . 34609 1 44 40 LYS . 34609 1 45 41 ARG . 34609 1 46 42 ASN . 34609 1 47 43 PRO . 34609 1 48 44 ASP . 34609 1 49 45 GLU . 34609 1 50 46 LEU . 34609 1 51 47 ALA . 34609 1 52 48 GLU . 34609 1 53 49 ALA . 34609 1 54 50 LEU . 34609 1 55 51 ASP . 34609 1 56 52 GLU . 34609 1 57 53 ARG . 34609 1 58 54 LEU . 34609 1 59 55 GLY . 34609 1 60 56 ASP . 34609 1 61 57 PHE . 34609 1 62 58 ALA . 34609 1 63 59 PHE . 34609 1 64 60 PRO . 34609 1 65 61 ASP . 34609 1 66 62 GLU . 34609 1 67 63 PHE . 34609 1 68 64 VAL . 34609 1 69 65 PHE . 34609 1 70 66 ASP . 34609 1 71 67 VAL . 34609 1 72 68 TRP . 34609 1 73 69 GLY . 34609 1 74 70 ALA . 34609 1 75 71 ILE . 34609 1 76 72 GLY . 34609 1 77 73 ASP . 34609 1 78 74 ALA . 34609 1 79 75 LYS . 34609 1 80 76 VAL . 34609 1 81 77 GLY . 34609 1 82 78 ARG . 34609 1 83 79 TYR . 34609 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 34609 1 . ALA 2 2 34609 1 . MET 3 3 34609 1 . GLY 4 4 34609 1 . ASP 5 5 34609 1 . LEU 6 6 34609 1 . PRO 7 7 34609 1 . SER 8 8 34609 1 . ALA 9 9 34609 1 . PHE 10 10 34609 1 . GLU 11 11 34609 1 . GLU 12 12 34609 1 . LYS 13 13 34609 1 . ALA 14 14 34609 1 . ILE 15 15 34609 1 . GLU 16 16 34609 1 . LYS 17 17 34609 1 . VAL 18 18 34609 1 . ASP 19 19 34609 1 . ASP 20 20 34609 1 . LEU 21 21 34609 1 . LEU 22 22 34609 1 . GLU 23 23 34609 1 . SER 24 24 34609 1 . TYR 25 25 34609 1 . MET 26 26 34609 1 . GLY 27 27 34609 1 . ILE 28 28 34609 1 . ARG 29 29 34609 1 . ASP 30 30 34609 1 . THR 31 31 34609 1 . GLU 32 32 34609 1 . LEU 33 33 34609 1 . ALA 34 34 34609 1 . ALA 35 35 34609 1 . THR 36 36 34609 1 . MET 37 37 34609 1 . VAL 38 38 34609 1 . GLU 39 39 34609 1 . LEU 40 40 34609 1 . GLY 41 41 34609 1 . LYS 42 42 34609 1 . ASP 43 43 34609 1 . LYS 44 44 34609 1 . ARG 45 45 34609 1 . ASN 46 46 34609 1 . PRO 47 47 34609 1 . ASP 48 48 34609 1 . GLU 49 49 34609 1 . LEU 50 50 34609 1 . ALA 51 51 34609 1 . GLU 52 52 34609 1 . ALA 53 53 34609 1 . LEU 54 54 34609 1 . ASP 55 55 34609 1 . GLU 56 56 34609 1 . ARG 57 57 34609 1 . LEU 58 58 34609 1 . GLY 59 59 34609 1 . ASP 60 60 34609 1 . PHE 61 61 34609 1 . ALA 62 62 34609 1 . PHE 63 63 34609 1 . PRO 64 64 34609 1 . ASP 65 65 34609 1 . GLU 66 66 34609 1 . PHE 67 67 34609 1 . VAL 68 68 34609 1 . PHE 69 69 34609 1 . ASP 70 70 34609 1 . VAL 71 71 34609 1 . TRP 72 72 34609 1 . GLY 73 73 34609 1 . ALA 74 74 34609 1 . ILE 75 75 34609 1 . GLY 76 76 34609 1 . ASP 77 77 34609 1 . ALA 78 78 34609 1 . LYS 79 79 34609 1 . VAL 80 80 34609 1 . GLY 81 81 34609 1 . ARG 82 82 34609 1 . TYR 83 83 34609 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 34609 _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 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . 'Gipc1, Gipc, Rgs19ip1, Semcap1' . 34609 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 34609 _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 . . . . . . . . . . 34609 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34609 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-15N] GIPC1-GH2, 20 mM TRIS, 0.1 mM EDTA, 0.1 mM PMSF, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GIPC1-GH2 [U-15N] . . 1 $entity_1 . . 1.0 . . mM . . . . 34609 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 34609 1 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 34609 1 4 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 34609 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34609 _Sample.ID 2 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM [U-13C; U-15N] GIPC1-GH2, 20 mM TRIS, 0.1 mM EDTA, 0.1 mM PMSF, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 GIPC1-GH2 '[U-13C; U-15N]' . . 1 $entity_1 . . 1.0 . . mM . . . . 34609 2 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 34609 2 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 34609 2 4 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 34609 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34609 _Sample.ID 3 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.0 mM GIPC1-GH2, 20 mM TRIS, 0.1 mM EDTA, 0.1 mM PMSF, 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 GIPC1-GH2 'natural abundance' . . 1 $entity_1 . . 1.0 . . mM . . . . 34609 3 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 34609 3 3 EDTA 'natural abundance' . . . . . . 0.1 . . mM . . . . 34609 3 4 PMSF 'natural abundance' . . . . . . 0.1 . . mM . . . . 34609 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 34609 _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' 150 . mM 34609 1 pH 7.2 . pH 34609 1 pressure 1 . atm 34609 1 temperature 293 . K 34609 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34609 _Software.ID 1 _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' . . 34609 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 34609 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34609 _Software.ID 2 _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' . . 34609 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'structure calculation' . 34609 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34609 _Software.ID 3 _Software.Type . _Software.Name CINDY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Padilla . . 34609 3 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 34609 3 'peak picking' . 34609 3 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 34609 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _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 34609 _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 . 800 . . . 34609 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 34609 _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 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34609 1 2 '3D HNCACB' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34609 1 3 '3D HNCO' no . . . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34609 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 34609 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 34609 _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 . . . . . 34609 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34609 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.101329118 . . . . . 34609 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 34609 _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 '3D 1H-15N NOESY' . . . 34609 1 2 '3D HNCACB' . . . 34609 1 3 '3D HNCO' . . . 34609 1 4 '2D 1H-1H NOESY' . . . 34609 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 5 5 ASP H H 1 8.228 0.000 . . . . . . A 1 ASP H . 34609 1 2 . 1 . 1 5 5 ASP HA H 1 4.621 0.000 . . . . . . A 1 ASP HA . 34609 1 3 . 1 . 1 5 5 ASP HB2 H 1 2.695 0.000 . . . . . . A 1 ASP HB2 . 34609 1 4 . 1 . 1 5 5 ASP HB3 H 1 2.589 0.000 . . . . . . A 1 ASP HB3 . 34609 1 5 . 1 . 1 5 5 ASP N N 15 120.500 0.000 . . . . . . A 1 ASP N . 34609 1 6 . 1 . 1 6 6 LEU H H 1 8.267 0.000 . . . . . . A 2 LEU H . 34609 1 7 . 1 . 1 6 6 LEU HA H 1 4.618 0.000 . . . . . . A 2 LEU HA . 34609 1 8 . 1 . 1 6 6 LEU HB2 H 1 1.626 0.000 . . . . . . A 2 LEU HB2 . 34609 1 9 . 1 . 1 6 6 LEU HB3 H 1 1.664 0.000 . . . . . . A 2 LEU HB3 . 34609 1 10 . 1 . 1 6 6 LEU HG H 1 1.503 0.000 . . . . . . A 2 LEU HG . 34609 1 11 . 1 . 1 6 6 LEU HD11 H 1 0.852 0.000 . . . . . . A 2 LEU HD11 . 34609 1 12 . 1 . 1 6 6 LEU HD12 H 1 0.852 0.000 . . . . . . A 2 LEU HD12 . 34609 1 13 . 1 . 1 6 6 LEU HD13 H 1 0.852 0.000 . . . . . . A 2 LEU HD13 . 34609 1 14 . 1 . 1 6 6 LEU HD21 H 1 0.822 0.000 . . . . . . A 2 LEU HD21 . 34609 1 15 . 1 . 1 6 6 LEU HD22 H 1 0.822 0.000 . . . . . . A 2 LEU HD22 . 34609 1 16 . 1 . 1 6 6 LEU HD23 H 1 0.822 0.000 . . . . . . A 2 LEU HD23 . 34609 1 17 . 1 . 1 6 6 LEU N N 15 123.290 0.000 . . . . . . A 2 LEU N . 34609 1 18 . 1 . 1 7 7 PRO HB2 H 1 2.336 0.000 . . . . . . A 3 PRO HB2 . 34609 1 19 . 1 . 1 7 7 PRO HB3 H 1 1.958 0.000 . . . . . . A 3 PRO HB3 . 34609 1 20 . 1 . 1 7 7 PRO HG2 H 1 2.078 0.000 . . . . . . A 3 PRO HG2 . 34609 1 21 . 1 . 1 7 7 PRO HG3 H 1 2.052 0.000 . . . . . . A 3 PRO HG3 . 34609 1 22 . 1 . 1 7 7 PRO HD2 H 1 3.897 0.000 . . . . . . A 3 PRO HD2 . 34609 1 23 . 1 . 1 7 7 PRO HD3 H 1 3.645 0.000 . . . . . . A 3 PRO HD3 . 34609 1 24 . 1 . 1 8 8 SER H H 1 8.599 0.000 . . . . . . A 4 SER H . 34609 1 25 . 1 . 1 8 8 SER HA H 1 4.424 0.000 . . . . . . A 4 SER HA . 34609 1 26 . 1 . 1 8 8 SER HB2 H 1 3.991 0.000 . . . . . . A 4 SER HB2 . 34609 1 27 . 1 . 1 8 8 SER HB3 H 1 3.938 0.000 . . . . . . A 4 SER HB3 . 34609 1 28 . 1 . 1 8 8 SER C C 13 175.170 0.000 . . . . . . A 4 SER C . 34609 1 29 . 1 . 1 8 8 SER CA C 13 59.680 0.000 . . . . . . A 4 SER CA . 34609 1 30 . 1 . 1 8 8 SER CB C 13 64.370 0.000 . . . . . . A 4 SER CB . 34609 1 31 . 1 . 1 8 8 SER N N 15 117.290 0.000 . . . . . . A 4 SER N . 34609 1 32 . 1 . 1 9 9 ALA H H 1 8.499 0.000 . . . . . . A 5 ALA H . 34609 1 33 . 1 . 1 9 9 ALA HA H 1 4.418 0.000 . . . . . . A 5 ALA HA . 34609 1 34 . 1 . 1 9 9 ALA HB1 H 1 1.425 0.000 . . . . . . A 5 ALA HB1 . 34609 1 35 . 1 . 1 9 9 ALA HB2 H 1 1.425 0.000 . . . . . . A 5 ALA HB2 . 34609 1 36 . 1 . 1 9 9 ALA HB3 H 1 1.425 0.000 . . . . . . A 5 ALA HB3 . 34609 1 37 . 1 . 1 9 9 ALA C C 13 177.980 0.000 . . . . . . A 5 ALA C . 34609 1 38 . 1 . 1 9 9 ALA CA C 13 53.450 0.000 . . . . . . A 5 ALA CA . 34609 1 39 . 1 . 1 9 9 ALA CB C 13 18.850 0.000 . . . . . . A 5 ALA CB . 34609 1 40 . 1 . 1 9 9 ALA N N 15 125.040 0.000 . . . . . . A 5 ALA N . 34609 1 41 . 1 . 1 10 10 PHE H H 1 7.948 0.000 . . . . . . A 6 PHE H . 34609 1 42 . 1 . 1 10 10 PHE HA H 1 4.357 0.000 . . . . . . A 6 PHE HA . 34609 1 43 . 1 . 1 10 10 PHE HB2 H 1 3.017 0.000 . . . . . . A 6 PHE HB2 . 34609 1 44 . 1 . 1 10 10 PHE HB3 H 1 3.271 0.000 . . . . . . A 6 PHE HB3 . 34609 1 45 . 1 . 1 10 10 PHE HD1 H 1 7.127 0.000 . . . . . . A 6 PHE HD1 . 34609 1 46 . 1 . 1 10 10 PHE HD2 H 1 7.127 0.000 . . . . . . A 6 PHE HD2 . 34609 1 47 . 1 . 1 10 10 PHE HE1 H 1 7.283 0.000 . . . . . . A 6 PHE HE1 . 34609 1 48 . 1 . 1 10 10 PHE HE2 H 1 7.283 0.000 . . . . . . A 6 PHE HE2 . 34609 1 49 . 1 . 1 10 10 PHE C C 13 176.080 0.000 . . . . . . A 6 PHE C . 34609 1 50 . 1 . 1 10 10 PHE CA C 13 59.950 0.000 . . . . . . A 6 PHE CA . 34609 1 51 . 1 . 1 10 10 PHE CB C 13 39.240 0.000 . . . . . . A 6 PHE CB . 34609 1 52 . 1 . 1 10 10 PHE N N 15 117.810 0.000 . . . . . . A 6 PHE N . 34609 1 53 . 1 . 1 11 11 GLU H H 1 8.473 0.000 . . . . . . A 7 GLU H . 34609 1 54 . 1 . 1 11 11 GLU HA H 1 3.244 0.000 . . . . . . A 7 GLU HA . 34609 1 55 . 1 . 1 11 11 GLU HB2 H 1 1.865 0.000 . . . . . . A 7 GLU HB2 . 34609 1 56 . 1 . 1 11 11 GLU HB3 H 1 1.969 0.000 . . . . . . A 7 GLU HB3 . 34609 1 57 . 1 . 1 11 11 GLU HG2 H 1 2.162 0.000 . . . . . . A 7 GLU HG2 . 34609 1 58 . 1 . 1 11 11 GLU HG3 H 1 2.120 0.000 . . . . . . A 7 GLU HG3 . 34609 1 59 . 1 . 1 11 11 GLU C C 13 177.630 0.000 . . . . . . A 7 GLU C . 34609 1 60 . 1 . 1 11 11 GLU CA C 13 60.950 0.000 . . . . . . A 7 GLU CA . 34609 1 61 . 1 . 1 11 11 GLU CB C 13 29.340 0.000 . . . . . . A 7 GLU CB . 34609 1 62 . 1 . 1 11 11 GLU N N 15 121.080 0.000 . . . . . . A 7 GLU N . 34609 1 63 . 1 . 1 12 12 GLU H H 1 8.135 0.000 . . . . . . A 8 GLU H . 34609 1 64 . 1 . 1 12 12 GLU HA H 1 3.897 0.000 . . . . . . A 8 GLU HA . 34609 1 65 . 1 . 1 12 12 GLU HB2 H 1 2.067 0.000 . . . . . . A 8 GLU HB2 . 34609 1 66 . 1 . 1 12 12 GLU HB3 H 1 2.009 0.000 . . . . . . A 8 GLU HB3 . 34609 1 67 . 1 . 1 12 12 GLU HG2 H 1 2.316 0.000 . . . . . . A 8 GLU HG2 . 34609 1 68 . 1 . 1 12 12 GLU HG3 H 1 2.202 0.000 . . . . . . A 8 GLU HG3 . 34609 1 69 . 1 . 1 12 12 GLU C C 13 179.310 0.000 . . . . . . A 8 GLU C . 34609 1 70 . 1 . 1 12 12 GLU CA C 13 59.860 0.000 . . . . . . A 8 GLU CA . 34609 1 71 . 1 . 1 12 12 GLU CB C 13 29.870 0.000 . . . . . . A 8 GLU CB . 34609 1 72 . 1 . 1 12 12 GLU N N 15 117.150 0.000 . . . . . . A 8 GLU N . 34609 1 73 . 1 . 1 13 13 LYS H H 1 7.767 0.000 . . . . . . A 9 LYS H . 34609 1 74 . 1 . 1 13 13 LYS HA H 1 4.142 0.000 . . . . . . A 9 LYS HA . 34609 1 75 . 1 . 1 13 13 LYS HB2 H 1 1.692 0.000 . . . . . . A 9 LYS HB2 . 34609 1 76 . 1 . 1 13 13 LYS HB3 H 1 1.871 0.000 . . . . . . A 9 LYS HB3 . 34609 1 77 . 1 . 1 13 13 LYS HG2 H 1 1.405 0.000 . . . . . . A 9 LYS HG2 . 34609 1 78 . 1 . 1 13 13 LYS HG3 H 1 1.177 0.000 . . . . . . A 9 LYS HG3 . 34609 1 79 . 1 . 1 13 13 LYS HD2 H 1 1.488 0.000 . . . . . . A 9 LYS HD2 . 34609 1 80 . 1 . 1 13 13 LYS HD3 H 1 1.488 0.000 . . . . . . A 9 LYS HD3 . 34609 1 81 . 1 . 1 13 13 LYS C C 13 178.850 0.000 . . . . . . A 9 LYS C . 34609 1 82 . 1 . 1 13 13 LYS CA C 13 57.770 0.000 . . . . . . A 9 LYS CA . 34609 1 83 . 1 . 1 13 13 LYS CB C 13 31.910 0.000 . . . . . . A 9 LYS CB . 34609 1 84 . 1 . 1 13 13 LYS N N 15 118.330 0.000 . . . . . . A 9 LYS N . 34609 1 85 . 1 . 1 14 14 ALA H H 1 8.382 0.000 . . . . . . A 10 ALA H . 34609 1 86 . 1 . 1 14 14 ALA HA H 1 3.842 0.000 . . . . . . A 10 ALA HA . 34609 1 87 . 1 . 1 14 14 ALA HB1 H 1 1.181 0.000 . . . . . . A 10 ALA HB1 . 34609 1 88 . 1 . 1 14 14 ALA HB2 H 1 1.181 0.000 . . . . . . A 10 ALA HB2 . 34609 1 89 . 1 . 1 14 14 ALA HB3 H 1 1.181 0.000 . . . . . . A 10 ALA HB3 . 34609 1 90 . 1 . 1 14 14 ALA C C 13 178.540 0.000 . . . . . . A 10 ALA C . 34609 1 91 . 1 . 1 14 14 ALA CA C 13 55.590 0.000 . . . . . . A 10 ALA CA . 34609 1 92 . 1 . 1 14 14 ALA CB C 13 18.790 0.000 . . . . . . A 10 ALA CB . 34609 1 93 . 1 . 1 14 14 ALA N N 15 122.160 0.000 . . . . . . A 10 ALA N . 34609 1 94 . 1 . 1 15 15 ILE H H 1 8.457 0.000 . . . . . . A 11 ILE H . 34609 1 95 . 1 . 1 15 15 ILE HA H 1 3.237 0.000 . . . . . . A 11 ILE HA . 34609 1 96 . 1 . 1 15 15 ILE HB H 1 1.845 0.000 . . . . . . A 11 ILE HB . 34609 1 97 . 1 . 1 15 15 ILE HG12 H 1 1.638 0.000 . . . . . . A 11 ILE HG12 . 34609 1 98 . 1 . 1 15 15 ILE HG13 H 1 1.532 0.000 . . . . . . A 11 ILE HG13 . 34609 1 99 . 1 . 1 15 15 ILE HG21 H 1 0.888 0.000 . . . . . . A 11 ILE HG21 . 34609 1 100 . 1 . 1 15 15 ILE HG22 H 1 0.888 0.000 . . . . . . A 11 ILE HG22 . 34609 1 101 . 1 . 1 15 15 ILE HG23 H 1 0.888 0.000 . . . . . . A 11 ILE HG23 . 34609 1 102 . 1 . 1 15 15 ILE HD11 H 1 0.569 0.000 . . . . . . A 11 ILE HD11 . 34609 1 103 . 1 . 1 15 15 ILE HD12 H 1 0.569 0.000 . . . . . . A 11 ILE HD12 . 34609 1 104 . 1 . 1 15 15 ILE HD13 H 1 0.569 0.000 . . . . . . A 11 ILE HD13 . 34609 1 105 . 1 . 1 15 15 ILE C C 13 177.230 0.000 . . . . . . A 11 ILE C . 34609 1 106 . 1 . 1 15 15 ILE CA C 13 66.720 0.000 . . . . . . A 11 ILE CA . 34609 1 107 . 1 . 1 15 15 ILE CB C 13 38.180 0.000 . . . . . . A 11 ILE CB . 34609 1 108 . 1 . 1 15 15 ILE N N 15 117.860 0.000 . . . . . . A 11 ILE N . 34609 1 109 . 1 . 1 16 16 GLU H H 1 7.357 0.000 . . . . . . A 12 GLU H . 34609 1 110 . 1 . 1 16 16 GLU HA H 1 4.026 0.000 . . . . . . A 12 GLU HA . 34609 1 111 . 1 . 1 16 16 GLU HB2 H 1 2.196 0.000 . . . . . . A 12 GLU HB2 . 34609 1 112 . 1 . 1 16 16 GLU HB3 H 1 2.130 0.000 . . . . . . A 12 GLU HB3 . 34609 1 113 . 1 . 1 16 16 GLU HG2 H 1 2.511 0.000 . . . . . . A 12 GLU HG2 . 34609 1 114 . 1 . 1 16 16 GLU HG3 H 1 2.484 0.000 . . . . . . A 12 GLU HG3 . 34609 1 115 . 1 . 1 16 16 GLU C C 13 178.770 0.000 . . . . . . A 12 GLU C . 34609 1 116 . 1 . 1 16 16 GLU CA C 13 59.680 0.000 . . . . . . A 12 GLU CA . 34609 1 117 . 1 . 1 16 16 GLU CB C 13 30.000 0.000 . . . . . . A 12 GLU CB . 34609 1 118 . 1 . 1 16 16 GLU N N 15 118.190 0.000 . . . . . . A 12 GLU N . 34609 1 119 . 1 . 1 17 17 LYS H H 1 7.731 0.000 . . . . . . A 13 LYS H . 34609 1 120 . 1 . 1 17 17 LYS HA H 1 4.171 0.000 . . . . . . A 13 LYS HA . 34609 1 121 . 1 . 1 17 17 LYS HB2 H 1 1.851 0.000 . . . . . . A 13 LYS HB2 . 34609 1 122 . 1 . 1 17 17 LYS HB3 H 1 1.919 0.000 . . . . . . A 13 LYS HB3 . 34609 1 123 . 1 . 1 17 17 LYS HG2 H 1 1.652 0.000 . . . . . . A 13 LYS HG2 . 34609 1 124 . 1 . 1 17 17 LYS HG3 H 1 1.616 0.000 . . . . . . A 13 LYS HG3 . 34609 1 125 . 1 . 1 17 17 LYS HD2 H 1 1.759 0.000 . . . . . . A 13 LYS HD2 . 34609 1 126 . 1 . 1 17 17 LYS HD3 H 1 1.759 0.000 . . . . . . A 13 LYS HD3 . 34609 1 127 . 1 . 1 17 17 LYS HE2 H 1 2.890 0.000 . . . . . . A 13 LYS HE2 . 34609 1 128 . 1 . 1 17 17 LYS HE3 H 1 2.890 0.000 . . . . . . A 13 LYS HE3 . 34609 1 129 . 1 . 1 17 17 LYS C C 13 180.040 0.000 . . . . . . A 13 LYS C . 34609 1 130 . 1 . 1 17 17 LYS CA C 13 58.730 0.000 . . . . . . A 13 LYS CA . 34609 1 131 . 1 . 1 17 17 LYS CB C 13 33.170 0.000 . . . . . . A 13 LYS CB . 34609 1 132 . 1 . 1 17 17 LYS N N 15 117.190 0.000 . . . . . . A 13 LYS N . 34609 1 133 . 1 . 1 18 18 VAL H H 1 8.638 0.000 . . . . . . A 14 VAL H . 34609 1 134 . 1 . 1 18 18 VAL HA H 1 3.584 0.000 . . . . . . A 14 VAL HA . 34609 1 135 . 1 . 1 18 18 VAL HB H 1 2.067 0.000 . . . . . . A 14 VAL HB . 34609 1 136 . 1 . 1 18 18 VAL HG11 H 1 1.016 0.000 . . . . . . A 14 VAL HG11 . 34609 1 137 . 1 . 1 18 18 VAL HG12 H 1 1.016 0.000 . . . . . . A 14 VAL HG12 . 34609 1 138 . 1 . 1 18 18 VAL HG13 H 1 1.016 0.000 . . . . . . A 14 VAL HG13 . 34609 1 139 . 1 . 1 18 18 VAL HG21 H 1 0.906 0.000 . . . . . . A 14 VAL HG21 . 34609 1 140 . 1 . 1 18 18 VAL HG22 H 1 0.906 0.000 . . . . . . A 14 VAL HG22 . 34609 1 141 . 1 . 1 18 18 VAL HG23 H 1 0.906 0.000 . . . . . . A 14 VAL HG23 . 34609 1 142 . 1 . 1 18 18 VAL C C 13 177.190 0.000 . . . . . . A 14 VAL C . 34609 1 143 . 1 . 1 18 18 VAL CA C 13 67.500 0.000 . . . . . . A 14 VAL CA . 34609 1 144 . 1 . 1 18 18 VAL CB C 13 31.580 0.000 . . . . . . A 14 VAL CB . 34609 1 145 . 1 . 1 18 18 VAL N N 15 120.690 0.000 . . . . . . A 14 VAL N . 34609 1 146 . 1 . 1 19 19 ASP H H 1 8.810 0.000 . . . . . . A 15 ASP H . 34609 1 147 . 1 . 1 19 19 ASP HA H 1 4.763 0.000 . . . . . . A 15 ASP HA . 34609 1 148 . 1 . 1 19 19 ASP HB2 H 1 2.612 0.000 . . . . . . A 15 ASP HB2 . 34609 1 149 . 1 . 1 19 19 ASP HB3 H 1 2.702 0.000 . . . . . . A 15 ASP HB3 . 34609 1 150 . 1 . 1 19 19 ASP C C 13 178.660 0.000 . . . . . . A 15 ASP C . 34609 1 151 . 1 . 1 19 19 ASP CA C 13 57.950 0.000 . . . . . . A 15 ASP CA . 34609 1 152 . 1 . 1 19 19 ASP CB C 13 41.680 0.000 . . . . . . A 15 ASP CB . 34609 1 153 . 1 . 1 19 19 ASP N N 15 123.340 0.000 . . . . . . A 15 ASP N . 34609 1 154 . 1 . 1 20 20 ASP H H 1 7.863 0.000 . . . . . . A 16 ASP H . 34609 1 155 . 1 . 1 20 20 ASP HA H 1 4.425 0.000 . . . . . . A 16 ASP HA . 34609 1 156 . 1 . 1 20 20 ASP HB2 H 1 2.725 0.000 . . . . . . A 16 ASP HB2 . 34609 1 157 . 1 . 1 20 20 ASP HB3 H 1 3.055 0.000 . . . . . . A 16 ASP HB3 . 34609 1 158 . 1 . 1 20 20 ASP C C 13 180.040 0.000 . . . . . . A 16 ASP C . 34609 1 159 . 1 . 1 20 20 ASP CA C 13 57.860 0.000 . . . . . . A 16 ASP CA . 34609 1 160 . 1 . 1 20 20 ASP CB C 13 40.360 0.000 . . . . . . A 16 ASP CB . 34609 1 161 . 1 . 1 20 20 ASP N N 15 116.960 0.000 . . . . . . A 16 ASP N . 34609 1 162 . 1 . 1 21 21 LEU H H 1 7.833 0.000 . . . . . . A 17 LEU H . 34609 1 163 . 1 . 1 21 21 LEU HA H 1 4.519 0.000 . . . . . . A 17 LEU HA . 34609 1 164 . 1 . 1 21 21 LEU HB2 H 1 1.540 0.000 . . . . . . A 17 LEU HB2 . 34609 1 165 . 1 . 1 21 21 LEU HB3 H 1 2.355 0.000 . . . . . . A 17 LEU HB3 . 34609 1 166 . 1 . 1 21 21 LEU HG H 1 2.016 0.000 . . . . . . A 17 LEU HG . 34609 1 167 . 1 . 1 21 21 LEU HD11 H 1 0.691 0.000 . . . . . . A 17 LEU HD11 . 34609 1 168 . 1 . 1 21 21 LEU HD12 H 1 0.691 0.000 . . . . . . A 17 LEU HD12 . 34609 1 169 . 1 . 1 21 21 LEU HD13 H 1 0.691 0.000 . . . . . . A 17 LEU HD13 . 34609 1 170 . 1 . 1 21 21 LEU HD21 H 1 1.157 0.000 . . . . . . A 17 LEU HD21 . 34609 1 171 . 1 . 1 21 21 LEU HD22 H 1 1.157 0.000 . . . . . . A 17 LEU HD22 . 34609 1 172 . 1 . 1 21 21 LEU HD23 H 1 1.157 0.000 . . . . . . A 17 LEU HD23 . 34609 1 173 . 1 . 1 21 21 LEU C C 13 179.850 0.000 . . . . . . A 17 LEU C . 34609 1 174 . 1 . 1 21 21 LEU CA C 13 58.090 0.000 . . . . . . A 17 LEU CA . 34609 1 175 . 1 . 1 21 21 LEU CB C 13 42.670 0.000 . . . . . . A 17 LEU CB . 34609 1 176 . 1 . 1 21 21 LEU N N 15 122.490 0.000 . . . . . . A 17 LEU N . 34609 1 177 . 1 . 1 22 22 LEU H H 1 9.129 0.000 . . . . . . A 18 LEU H . 34609 1 178 . 1 . 1 22 22 LEU HA H 1 4.081 0.000 . . . . . . A 18 LEU HA . 34609 1 179 . 1 . 1 22 22 LEU HB2 H 1 2.601 0.000 . . . . . . A 18 LEU HB2 . 34609 1 180 . 1 . 1 22 22 LEU HB3 H 1 1.636 0.000 . . . . . . A 18 LEU HB3 . 34609 1 181 . 1 . 1 22 22 LEU HG H 1 1.966 0.000 . . . . . . A 18 LEU HG . 34609 1 182 . 1 . 1 22 22 LEU HD11 H 1 1.064 0.000 . . . . . . A 18 LEU HD11 . 34609 1 183 . 1 . 1 22 22 LEU HD12 H 1 1.064 0.000 . . . . . . A 18 LEU HD12 . 34609 1 184 . 1 . 1 22 22 LEU HD13 H 1 1.064 0.000 . . . . . . A 18 LEU HD13 . 34609 1 185 . 1 . 1 22 22 LEU HD21 H 1 0.890 0.000 . . . . . . A 18 LEU HD21 . 34609 1 186 . 1 . 1 22 22 LEU HD22 H 1 0.890 0.000 . . . . . . A 18 LEU HD22 . 34609 1 187 . 1 . 1 22 22 LEU HD23 H 1 0.890 0.000 . . . . . . A 18 LEU HD23 . 34609 1 188 . 1 . 1 22 22 LEU C C 13 180.290 0.000 . . . . . . A 18 LEU C . 34609 1 189 . 1 . 1 22 22 LEU CA C 13 59.230 0.000 . . . . . . A 18 LEU CA . 34609 1 190 . 1 . 1 22 22 LEU CB C 13 41.280 0.000 . . . . . . A 18 LEU CB . 34609 1 191 . 1 . 1 22 22 LEU N N 15 124.050 0.000 . . . . . . A 18 LEU N . 34609 1 192 . 1 . 1 23 23 GLU H H 1 8.240 0.000 . . . . . . A 19 GLU H . 34609 1 193 . 1 . 1 23 23 GLU HA H 1 3.864 0.000 . . . . . . A 19 GLU HA . 34609 1 194 . 1 . 1 23 23 GLU HB2 H 1 1.982 0.000 . . . . . . A 19 GLU HB2 . 34609 1 195 . 1 . 1 23 23 GLU HB3 H 1 2.011 0.000 . . . . . . A 19 GLU HB3 . 34609 1 196 . 1 . 1 23 23 GLU HG2 H 1 2.201 0.000 . . . . . . A 19 GLU HG2 . 34609 1 197 . 1 . 1 23 23 GLU HG3 H 1 2.159 0.000 . . . . . . A 19 GLU HG3 . 34609 1 198 . 1 . 1 23 23 GLU C C 13 179.820 0.000 . . . . . . A 19 GLU C . 34609 1 199 . 1 . 1 23 23 GLU CA C 13 60.820 0.000 . . . . . . A 19 GLU CA . 34609 1 200 . 1 . 1 23 23 GLU CB C 13 29.140 0.000 . . . . . . A 19 GLU CB . 34609 1 201 . 1 . 1 23 23 GLU N N 15 122.250 0.000 . . . . . . A 19 GLU N . 34609 1 202 . 1 . 1 24 24 SER H H 1 8.321 0.000 . . . . . . A 20 SER H . 34609 1 203 . 1 . 1 24 24 SER HA H 1 4.161 0.000 . . . . . . A 20 SER HA . 34609 1 204 . 1 . 1 24 24 SER HB2 H 1 4.035 0.000 . . . . . . A 20 SER HB2 . 34609 1 205 . 1 . 1 24 24 SER HB3 H 1 3.989 0.000 . . . . . . A 20 SER HB3 . 34609 1 206 . 1 . 1 24 24 SER C C 13 176.610 0.000 . . . . . . A 20 SER C . 34609 1 207 . 1 . 1 24 24 SER CA C 13 61.950 0.000 . . . . . . A 20 SER CA . 34609 1 208 . 1 . 1 24 24 SER CB C 13 63.580 0.000 . . . . . . A 20 SER CB . 34609 1 209 . 1 . 1 24 24 SER N N 15 115.110 0.000 . . . . . . A 20 SER N . 34609 1 210 . 1 . 1 25 25 TYR H H 1 8.939 0.000 . . . . . . A 21 TYR H . 34609 1 211 . 1 . 1 25 25 TYR HA H 1 4.522 0.000 . . . . . . A 21 TYR HA . 34609 1 212 . 1 . 1 25 25 TYR HB2 H 1 2.841 0.000 . . . . . . A 21 TYR HB2 . 34609 1 213 . 1 . 1 25 25 TYR HB3 H 1 3.223 0.000 . . . . . . A 21 TYR HB3 . 34609 1 214 . 1 . 1 25 25 TYR HD1 H 1 7.574 0.000 . . . . . . A 21 TYR HD1 . 34609 1 215 . 1 . 1 25 25 TYR HD2 H 1 7.574 0.000 . . . . . . A 21 TYR HD2 . 34609 1 216 . 1 . 1 25 25 TYR HE1 H 1 7.107 0.000 . . . . . . A 21 TYR HE1 . 34609 1 217 . 1 . 1 25 25 TYR HE2 H 1 7.107 0.000 . . . . . . A 21 TYR HE2 . 34609 1 218 . 1 . 1 25 25 TYR C C 13 177.790 0.000 . . . . . . A 21 TYR C . 34609 1 219 . 1 . 1 25 25 TYR CA C 13 61.910 0.000 . . . . . . A 21 TYR CA . 34609 1 220 . 1 . 1 25 25 TYR CB C 13 40.290 0.000 . . . . . . A 21 TYR CB . 34609 1 221 . 1 . 1 25 25 TYR N N 15 116.200 0.000 . . . . . . A 21 TYR N . 34609 1 222 . 1 . 1 26 26 MET H H 1 8.436 0.000 . . . . . . A 22 MET H . 34609 1 223 . 1 . 1 26 26 MET HA H 1 4.857 0.000 . . . . . . A 22 MET HA . 34609 1 224 . 1 . 1 26 26 MET HB2 H 1 2.335 0.000 . . . . . . A 22 MET HB2 . 34609 1 225 . 1 . 1 26 26 MET HB3 H 1 2.289 0.000 . . . . . . A 22 MET HB3 . 34609 1 226 . 1 . 1 26 26 MET HG2 H 1 2.416 0.000 . . . . . . A 22 MET HG2 . 34609 1 227 . 1 . 1 26 26 MET HG3 H 1 2.377 0.000 . . . . . . A 22 MET HG3 . 34609 1 228 . 1 . 1 26 26 MET HE1 H 1 1.890 0.000 . . . . . . A 22 MET HE1 . 34609 1 229 . 1 . 1 26 26 MET HE2 H 1 1.890 0.000 . . . . . . A 22 MET HE2 . 34609 1 230 . 1 . 1 26 26 MET HE3 H 1 1.890 0.000 . . . . . . A 22 MET HE3 . 34609 1 231 . 1 . 1 26 26 MET C C 13 177.120 0.000 . . . . . . A 22 MET C . 34609 1 232 . 1 . 1 26 26 MET CA C 13 54.820 0.000 . . . . . . A 22 MET CA . 34609 1 233 . 1 . 1 26 26 MET CB C 13 33.760 0.000 . . . . . . A 22 MET CB . 34609 1 234 . 1 . 1 26 26 MET N N 15 114.170 0.000 . . . . . . A 22 MET N . 34609 1 235 . 1 . 1 27 27 GLY H H 1 8.026 0.000 . . . . . . A 23 GLY H . 34609 1 236 . 1 . 1 27 27 GLY HA2 H 1 4.045 0.000 . . . . . . A 23 GLY HA2 . 34609 1 237 . 1 . 1 27 27 GLY HA3 H 1 4.159 0.000 . . . . . . A 23 GLY HA3 . 34609 1 238 . 1 . 1 27 27 GLY C C 13 173.620 0.000 . . . . . . A 23 GLY C . 34609 1 239 . 1 . 1 27 27 GLY CA C 13 46.550 0.000 . . . . . . A 23 GLY CA . 34609 1 240 . 1 . 1 27 27 GLY N N 15 109.870 0.000 . . . . . . A 23 GLY N . 34609 1 241 . 1 . 1 28 28 ILE H H 1 7.119 0.000 . . . . . . A 24 ILE H . 34609 1 242 . 1 . 1 28 28 ILE HA H 1 4.536 0.000 . . . . . . A 24 ILE HA . 34609 1 243 . 1 . 1 28 28 ILE HB H 1 1.737 0.000 . . . . . . A 24 ILE HB . 34609 1 244 . 1 . 1 28 28 ILE HG12 H 1 1.389 0.000 . . . . . . A 24 ILE HG12 . 34609 1 245 . 1 . 1 28 28 ILE HG13 H 1 1.353 0.000 . . . . . . A 24 ILE HG13 . 34609 1 246 . 1 . 1 28 28 ILE HG21 H 1 0.926 0.000 . . . . . . A 24 ILE HG21 . 34609 1 247 . 1 . 1 28 28 ILE HG22 H 1 0.926 0.000 . . . . . . A 24 ILE HG22 . 34609 1 248 . 1 . 1 28 28 ILE HG23 H 1 0.926 0.000 . . . . . . A 24 ILE HG23 . 34609 1 249 . 1 . 1 28 28 ILE HD11 H 1 0.780 0.000 . . . . . . A 24 ILE HD11 . 34609 1 250 . 1 . 1 28 28 ILE HD12 H 1 0.780 0.000 . . . . . . A 24 ILE HD12 . 34609 1 251 . 1 . 1 28 28 ILE HD13 H 1 0.780 0.000 . . . . . . A 24 ILE HD13 . 34609 1 252 . 1 . 1 28 28 ILE C C 13 172.770 0.000 . . . . . . A 24 ILE C . 34609 1 253 . 1 . 1 28 28 ILE CA C 13 59.770 0.000 . . . . . . A 24 ILE CA . 34609 1 254 . 1 . 1 28 28 ILE CB C 13 42.730 0.000 . . . . . . A 24 ILE CB . 34609 1 255 . 1 . 1 28 28 ILE N N 15 117.050 0.000 . . . . . . A 24 ILE N . 34609 1 256 . 1 . 1 29 29 ARG H H 1 7.761 0.000 . . . . . . A 25 ARG H . 34609 1 257 . 1 . 1 29 29 ARG HA H 1 4.529 0.000 . . . . . . A 25 ARG HA . 34609 1 258 . 1 . 1 29 29 ARG HB2 H 1 1.608 0.000 . . . . . . A 25 ARG HB2 . 34609 1 259 . 1 . 1 29 29 ARG HB3 H 1 2.163 0.000 . . . . . . A 25 ARG HB3 . 34609 1 260 . 1 . 1 29 29 ARG HG2 H 1 2.133 0.000 . . . . . . A 25 ARG HG2 . 34609 1 261 . 1 . 1 29 29 ARG HG3 H 1 1.524 0.000 . . . . . . A 25 ARG HG3 . 34609 1 262 . 1 . 1 29 29 ARG HD2 H 1 3.166 0.000 . . . . . . A 25 ARG HD2 . 34609 1 263 . 1 . 1 29 29 ARG HD3 H 1 3.133 0.000 . . . . . . A 25 ARG HD3 . 34609 1 264 . 1 . 1 29 29 ARG HE H 1 7.158 0.000 . . . . . . A 25 ARG HE . 34609 1 265 . 1 . 1 29 29 ARG C C 13 176.800 0.000 . . . . . . A 25 ARG C . 34609 1 266 . 1 . 1 29 29 ARG CA C 13 55.360 0.000 . . . . . . A 25 ARG CA . 34609 1 267 . 1 . 1 29 29 ARG CB C 13 32.510 0.000 . . . . . . A 25 ARG CB . 34609 1 268 . 1 . 1 29 29 ARG N N 15 119.270 0.000 . . . . . . A 25 ARG N . 34609 1 269 . 1 . 1 29 29 ARG NE N 15 85.520 0.000 . . . . . . A 25 ARG NE . 34609 1 270 . 1 . 1 30 30 ASP H H 1 10.014 0.000 . . . . . . A 26 ASP H . 34609 1 271 . 1 . 1 30 30 ASP HA H 1 4.577 0.000 . . . . . . A 26 ASP HA . 34609 1 272 . 1 . 1 30 30 ASP HB2 H 1 2.789 0.000 . . . . . . A 26 ASP HB2 . 34609 1 273 . 1 . 1 30 30 ASP HB3 H 1 2.765 0.000 . . . . . . A 26 ASP HB3 . 34609 1 274 . 1 . 1 30 30 ASP C C 13 175.020 0.000 . . . . . . A 26 ASP C . 34609 1 275 . 1 . 1 30 30 ASP CA C 13 54.590 0.000 . . . . . . A 26 ASP CA . 34609 1 276 . 1 . 1 30 30 ASP CB C 13 41.680 0.000 . . . . . . A 26 ASP CB . 34609 1 277 . 1 . 1 30 30 ASP N N 15 124.010 0.000 . . . . . . A 26 ASP N . 34609 1 278 . 1 . 1 31 31 THR H H 1 8.716 0.000 . . . . . . A 27 THR H . 34609 1 279 . 1 . 1 31 31 THR HA H 1 3.873 0.000 . . . . . . A 27 THR HA . 34609 1 280 . 1 . 1 31 31 THR HB H 1 4.135 0.000 . . . . . . A 27 THR HB . 34609 1 281 . 1 . 1 31 31 THR HG21 H 1 1.255 0.000 . . . . . . A 27 THR HG21 . 34609 1 282 . 1 . 1 31 31 THR HG22 H 1 1.255 0.000 . . . . . . A 27 THR HG22 . 34609 1 283 . 1 . 1 31 31 THR HG23 H 1 1.255 0.000 . . . . . . A 27 THR HG23 . 34609 1 284 . 1 . 1 31 31 THR C C 13 176.870 0.000 . . . . . . A 27 THR C . 34609 1 285 . 1 . 1 31 31 THR CA C 13 65.950 0.000 . . . . . . A 27 THR CA . 34609 1 286 . 1 . 1 31 31 THR CB C 13 69.120 0.000 . . . . . . A 27 THR CB . 34609 1 287 . 1 . 1 31 31 THR N N 15 119.890 0.000 . . . . . . A 27 THR N . 34609 1 288 . 1 . 1 32 32 GLU H H 1 8.177 0.000 . . . . . . A 28 GLU H . 34609 1 289 . 1 . 1 32 32 GLU HA H 1 4.164 0.000 . . . . . . A 28 GLU HA . 34609 1 290 . 1 . 1 32 32 GLU HB2 H 1 2.222 0.000 . . . . . . A 28 GLU HB2 . 34609 1 291 . 1 . 1 32 32 GLU HB3 H 1 2.152 0.000 . . . . . . A 28 GLU HB3 . 34609 1 292 . 1 . 1 32 32 GLU HG2 H 1 2.370 0.000 . . . . . . A 28 GLU HG2 . 34609 1 293 . 1 . 1 32 32 GLU HG3 H 1 2.338 0.000 . . . . . . A 28 GLU HG3 . 34609 1 294 . 1 . 1 32 32 GLU C C 13 179.380 0.000 . . . . . . A 28 GLU C . 34609 1 295 . 1 . 1 32 32 GLU CA C 13 59.730 0.000 . . . . . . A 28 GLU CA . 34609 1 296 . 1 . 1 32 32 GLU CB C 13 29.410 0.000 . . . . . . A 28 GLU CB . 34609 1 297 . 1 . 1 32 32 GLU N N 15 122.960 0.000 . . . . . . A 28 GLU N . 34609 1 298 . 1 . 1 33 33 LEU H H 1 7.845 0.000 . . . . . . A 29 LEU H . 34609 1 299 . 1 . 1 33 33 LEU HA H 1 4.135 0.000 . . . . . . A 29 LEU HA . 34609 1 300 . 1 . 1 33 33 LEU HB2 H 1 1.884 0.000 . . . . . . A 29 LEU HB2 . 34609 1 301 . 1 . 1 33 33 LEU HB3 H 1 1.514 0.000 . . . . . . A 29 LEU HB3 . 34609 1 302 . 1 . 1 33 33 LEU HG H 1 1.182 0.000 . . . . . . A 29 LEU HG . 34609 1 303 . 1 . 1 33 33 LEU HD11 H 1 0.900 0.000 . . . . . . A 29 LEU HD11 . 34609 1 304 . 1 . 1 33 33 LEU HD12 H 1 0.900 0.000 . . . . . . A 29 LEU HD12 . 34609 1 305 . 1 . 1 33 33 LEU HD13 H 1 0.900 0.000 . . . . . . A 29 LEU HD13 . 34609 1 306 . 1 . 1 33 33 LEU HD21 H 1 0.814 0.000 . . . . . . A 29 LEU HD21 . 34609 1 307 . 1 . 1 33 33 LEU HD22 H 1 0.814 0.000 . . . . . . A 29 LEU HD22 . 34609 1 308 . 1 . 1 33 33 LEU HD23 H 1 0.814 0.000 . . . . . . A 29 LEU HD23 . 34609 1 309 . 1 . 1 33 33 LEU C C 13 179.070 0.000 . . . . . . A 29 LEU C . 34609 1 310 . 1 . 1 33 33 LEU CA C 13 57.590 0.000 . . . . . . A 29 LEU CA . 34609 1 311 . 1 . 1 33 33 LEU CB C 13 41.610 0.000 . . . . . . A 29 LEU CB . 34609 1 312 . 1 . 1 33 33 LEU N N 15 124.990 0.000 . . . . . . A 29 LEU N . 34609 1 313 . 1 . 1 34 34 ALA H H 1 8.569 0.000 . . . . . . A 30 ALA H . 34609 1 314 . 1 . 1 34 34 ALA HA H 1 3.954 0.000 . . . . . . A 30 ALA HA . 34609 1 315 . 1 . 1 34 34 ALA HB1 H 1 1.526 0.000 . . . . . . A 30 ALA HB1 . 34609 1 316 . 1 . 1 34 34 ALA HB2 H 1 1.526 0.000 . . . . . . A 30 ALA HB2 . 34609 1 317 . 1 . 1 34 34 ALA HB3 H 1 1.526 0.000 . . . . . . A 30 ALA HB3 . 34609 1 318 . 1 . 1 34 34 ALA C C 13 179.200 0.000 . . . . . . A 30 ALA C . 34609 1 319 . 1 . 1 34 34 ALA CA C 13 55.860 0.000 . . . . . . A 30 ALA CA . 34609 1 320 . 1 . 1 34 34 ALA CB C 13 18.850 0.000 . . . . . . A 30 ALA CB . 34609 1 321 . 1 . 1 34 34 ALA N N 15 121.210 0.000 . . . . . . A 30 ALA N . 34609 1 322 . 1 . 1 35 35 ALA H H 1 8.364 0.000 . . . . . . A 31 ALA H . 34609 1 323 . 1 . 1 35 35 ALA HA H 1 3.948 0.000 . . . . . . A 31 ALA HA . 34609 1 324 . 1 . 1 35 35 ALA HB1 H 1 1.570 0.000 . . . . . . A 31 ALA HB1 . 34609 1 325 . 1 . 1 35 35 ALA HB2 H 1 1.570 0.000 . . . . . . A 31 ALA HB2 . 34609 1 326 . 1 . 1 35 35 ALA HB3 H 1 1.570 0.000 . . . . . . A 31 ALA HB3 . 34609 1 327 . 1 . 1 35 35 ALA C C 13 180.790 0.000 . . . . . . A 31 ALA C . 34609 1 328 . 1 . 1 35 35 ALA CA C 13 55.770 0.000 . . . . . . A 31 ALA CA . 34609 1 329 . 1 . 1 35 35 ALA CB C 13 18.390 0.000 . . . . . . A 31 ALA CB . 34609 1 330 . 1 . 1 35 35 ALA N N 15 118.850 0.000 . . . . . . A 31 ALA N . 34609 1 331 . 1 . 1 36 36 THR H H 1 8.201 0.000 . . . . . . A 32 THR H . 34609 1 332 . 1 . 1 36 36 THR HA H 1 3.963 0.000 . . . . . . A 32 THR HA . 34609 1 333 . 1 . 1 36 36 THR HB H 1 4.546 0.000 . . . . . . A 32 THR HB . 34609 1 334 . 1 . 1 36 36 THR HG21 H 1 1.223 0.000 . . . . . . A 32 THR HG21 . 34609 1 335 . 1 . 1 36 36 THR HG22 H 1 1.223 0.000 . . . . . . A 32 THR HG22 . 34609 1 336 . 1 . 1 36 36 THR HG23 H 1 1.223 0.000 . . . . . . A 32 THR HG23 . 34609 1 337 . 1 . 1 36 36 THR C C 13 176.090 0.000 . . . . . . A 32 THR C . 34609 1 338 . 1 . 1 36 36 THR CA C 13 67.180 0.000 . . . . . . A 32 THR CA . 34609 1 339 . 1 . 1 36 36 THR CB C 13 68.920 0.000 . . . . . . A 32 THR CB . 34609 1 340 . 1 . 1 36 36 THR N N 15 118.470 0.000 . . . . . . A 32 THR N . 34609 1 341 . 1 . 1 37 37 MET H H 1 8.324 0.000 . . . . . . A 33 MET H . 34609 1 342 . 1 . 1 37 37 MET HA H 1 3.760 0.000 . . . . . . A 33 MET HA . 34609 1 343 . 1 . 1 37 37 MET HB2 H 1 2.138 0.000 . . . . . . A 33 MET HB2 . 34609 1 344 . 1 . 1 37 37 MET HB3 H 1 1.734 0.000 . . . . . . A 33 MET HB3 . 34609 1 345 . 1 . 1 37 37 MET HG2 H 1 2.814 0.000 . . . . . . A 33 MET HG2 . 34609 1 346 . 1 . 1 37 37 MET HG3 H 1 2.360 0.000 . . . . . . A 33 MET HG3 . 34609 1 347 . 1 . 1 37 37 MET HE1 H 1 2.250 0.000 . . . . . . A 33 MET HE1 . 34609 1 348 . 1 . 1 37 37 MET HE2 H 1 2.250 0.000 . . . . . . A 33 MET HE2 . 34609 1 349 . 1 . 1 37 37 MET HE3 H 1 2.250 0.000 . . . . . . A 33 MET HE3 . 34609 1 350 . 1 . 1 37 37 MET C C 13 177.650 0.000 . . . . . . A 33 MET C . 34609 1 351 . 1 . 1 37 37 MET CA C 13 61.000 0.000 . . . . . . A 33 MET CA . 34609 1 352 . 1 . 1 37 37 MET CB C 13 32.970 0.000 . . . . . . A 33 MET CB . 34609 1 353 . 1 . 1 37 37 MET N N 15 120.450 0.000 . . . . . . A 33 MET N . 34609 1 354 . 1 . 1 38 38 VAL H H 1 8.100 0.000 . . . . . . A 34 VAL H . 34609 1 355 . 1 . 1 38 38 VAL HA H 1 3.421 0.000 . . . . . . A 34 VAL HA . 34609 1 356 . 1 . 1 38 38 VAL HB H 1 2.108 0.000 . . . . . . A 34 VAL HB . 34609 1 357 . 1 . 1 38 38 VAL HG11 H 1 0.820 0.000 . . . . . . A 34 VAL HG11 . 34609 1 358 . 1 . 1 38 38 VAL HG12 H 1 0.820 0.000 . . . . . . A 34 VAL HG12 . 34609 1 359 . 1 . 1 38 38 VAL HG13 H 1 0.820 0.000 . . . . . . A 34 VAL HG13 . 34609 1 360 . 1 . 1 38 38 VAL HG21 H 1 0.864 0.000 . . . . . . A 34 VAL HG21 . 34609 1 361 . 1 . 1 38 38 VAL HG22 H 1 0.864 0.000 . . . . . . A 34 VAL HG22 . 34609 1 362 . 1 . 1 38 38 VAL HG23 H 1 0.864 0.000 . . . . . . A 34 VAL HG23 . 34609 1 363 . 1 . 1 38 38 VAL C C 13 177.210 0.000 . . . . . . A 34 VAL C . 34609 1 364 . 1 . 1 38 38 VAL CA C 13 67.540 0.000 . . . . . . A 34 VAL CA . 34609 1 365 . 1 . 1 38 38 VAL CB C 13 31.720 0.000 . . . . . . A 34 VAL CB . 34609 1 366 . 1 . 1 38 38 VAL N N 15 118.760 0.000 . . . . . . A 34 VAL N . 34609 1 367 . 1 . 1 39 39 GLU H H 1 8.042 0.000 . . . . . . A 35 GLU H . 34609 1 368 . 1 . 1 39 39 GLU HA H 1 3.982 0.000 . . . . . . A 35 GLU HA . 34609 1 369 . 1 . 1 39 39 GLU HB2 H 1 2.196 0.000 . . . . . . A 35 GLU HB2 . 34609 1 370 . 1 . 1 39 39 GLU HB3 H 1 2.164 0.000 . . . . . . A 35 GLU HB3 . 34609 1 371 . 1 . 1 39 39 GLU HG2 H 1 2.316 0.000 . . . . . . A 35 GLU HG2 . 34609 1 372 . 1 . 1 39 39 GLU HG3 H 1 2.286 0.000 . . . . . . A 35 GLU HG3 . 34609 1 373 . 1 . 1 39 39 GLU C C 13 179.260 0.000 . . . . . . A 35 GLU C . 34609 1 374 . 1 . 1 39 39 GLU CA C 13 59.630 0.000 . . . . . . A 35 GLU CA . 34609 1 375 . 1 . 1 39 39 GLU CB C 13 29.470 0.000 . . . . . . A 35 GLU CB . 34609 1 376 . 1 . 1 39 39 GLU N N 15 119.800 0.000 . . . . . . A 35 GLU N . 34609 1 377 . 1 . 1 40 40 LEU H H 1 8.144 0.000 . . . . . . A 36 LEU H . 34609 1 378 . 1 . 1 40 40 LEU HA H 1 4.207 0.000 . . . . . . A 36 LEU HA . 34609 1 379 . 1 . 1 40 40 LEU HB2 H 1 1.986 0.000 . . . . . . A 36 LEU HB2 . 34609 1 380 . 1 . 1 40 40 LEU HB3 H 1 1.810 0.000 . . . . . . A 36 LEU HB3 . 34609 1 381 . 1 . 1 40 40 LEU HG H 1 1.311 0.000 . . . . . . A 36 LEU HG . 34609 1 382 . 1 . 1 40 40 LEU HD11 H 1 0.871 0.000 . . . . . . A 36 LEU HD11 . 34609 1 383 . 1 . 1 40 40 LEU HD12 H 1 0.871 0.000 . . . . . . A 36 LEU HD12 . 34609 1 384 . 1 . 1 40 40 LEU HD13 H 1 0.871 0.000 . . . . . . A 36 LEU HD13 . 34609 1 385 . 1 . 1 40 40 LEU HD21 H 1 0.764 0.000 . . . . . . A 36 LEU HD21 . 34609 1 386 . 1 . 1 40 40 LEU HD22 H 1 0.764 0.000 . . . . . . A 36 LEU HD22 . 34609 1 387 . 1 . 1 40 40 LEU HD23 H 1 0.764 0.000 . . . . . . A 36 LEU HD23 . 34609 1 388 . 1 . 1 40 40 LEU C C 13 179.070 0.000 . . . . . . A 36 LEU C . 34609 1 389 . 1 . 1 40 40 LEU CA C 13 56.910 0.000 . . . . . . A 36 LEU CA . 34609 1 390 . 1 . 1 40 40 LEU CB C 13 42.860 0.000 . . . . . . A 36 LEU CB . 34609 1 391 . 1 . 1 40 40 LEU N N 15 116.440 0.000 . . . . . . A 36 LEU N . 34609 1 392 . 1 . 1 41 41 GLY H H 1 8.318 0.000 . . . . . . A 37 GLY H . 34609 1 393 . 1 . 1 41 41 GLY HA2 H 1 3.438 0.000 . . . . . . A 37 GLY HA2 . 34609 1 394 . 1 . 1 41 41 GLY HA3 H 1 4.166 0.000 . . . . . . A 37 GLY HA3 . 34609 1 395 . 1 . 1 41 41 GLY C C 13 176.090 0.000 . . . . . . A 37 GLY C . 34609 1 396 . 1 . 1 41 41 GLY CA C 13 47.140 0.000 . . . . . . A 37 GLY CA . 34609 1 397 . 1 . 1 41 41 GLY N N 15 103.960 0.000 . . . . . . A 37 GLY N . 34609 1 398 . 1 . 1 42 42 LYS H H 1 8.132 0.000 . . . . . . A 38 LYS H . 34609 1 399 . 1 . 1 42 42 LYS HA H 1 4.016 0.000 . . . . . . A 38 LYS HA . 34609 1 400 . 1 . 1 42 42 LYS HB2 H 1 2.023 0.000 . . . . . . A 38 LYS HB2 . 34609 1 401 . 1 . 1 42 42 LYS HB3 H 1 1.988 0.000 . . . . . . A 38 LYS HB3 . 34609 1 402 . 1 . 1 42 42 LYS HG2 H 1 1.700 0.000 . . . . . . A 38 LYS HG2 . 34609 1 403 . 1 . 1 42 42 LYS HG3 H 1 1.649 0.000 . . . . . . A 38 LYS HG3 . 34609 1 404 . 1 . 1 42 42 LYS HD2 H 1 1.786 0.000 . . . . . . A 38 LYS HD2 . 34609 1 405 . 1 . 1 42 42 LYS HD3 H 1 1.786 0.000 . . . . . . A 38 LYS HD3 . 34609 1 406 . 1 . 1 42 42 LYS C C 13 175.380 0.000 . . . . . . A 38 LYS C . 34609 1 407 . 1 . 1 42 42 LYS CA C 13 60.180 0.000 . . . . . . A 38 LYS CA . 34609 1 408 . 1 . 1 42 42 LYS CB C 13 32.310 0.000 . . . . . . A 38 LYS CB . 34609 1 409 . 1 . 1 42 42 LYS N N 15 120.270 0.000 . . . . . . A 38 LYS N . 34609 1 410 . 1 . 1 43 43 ASP H H 1 8.297 0.000 . . . . . . A 39 ASP H . 34609 1 411 . 1 . 1 43 43 ASP HA H 1 4.945 0.000 . . . . . . A 39 ASP HA . 34609 1 412 . 1 . 1 43 43 ASP HB2 H 1 2.773 0.000 . . . . . . A 39 ASP HB2 . 34609 1 413 . 1 . 1 43 43 ASP HB3 H 1 2.739 0.000 . . . . . . A 39 ASP HB3 . 34609 1 414 . 1 . 1 43 43 ASP C C 13 176.540 0.000 . . . . . . A 39 ASP C . 34609 1 415 . 1 . 1 43 43 ASP CA C 13 53.450 0.000 . . . . . . A 39 ASP CA . 34609 1 416 . 1 . 1 43 43 ASP CB C 13 41.280 0.000 . . . . . . A 39 ASP CB . 34609 1 417 . 1 . 1 43 43 ASP N N 15 117.100 0.000 . . . . . . A 39 ASP N . 34609 1 418 . 1 . 1 44 44 LYS H H 1 7.390 0.000 . . . . . . A 40 LYS H . 34609 1 419 . 1 . 1 44 44 LYS HA H 1 4.645 0.000 . . . . . . A 40 LYS HA . 34609 1 420 . 1 . 1 44 44 LYS HB2 H 1 2.233 0.000 . . . . . . A 40 LYS HB2 . 34609 1 421 . 1 . 1 44 44 LYS HB3 H 1 2.037 0.000 . . . . . . A 40 LYS HB3 . 34609 1 422 . 1 . 1 44 44 LYS HG2 H 1 1.710 0.000 . . . . . . A 40 LYS HG2 . 34609 1 423 . 1 . 1 44 44 LYS HG3 H 1 1.299 0.000 . . . . . . A 40 LYS HG3 . 34609 1 424 . 1 . 1 44 44 LYS HD2 H 1 1.820 0.000 . . . . . . A 40 LYS HD2 . 34609 1 425 . 1 . 1 44 44 LYS HD3 H 1 1.820 0.000 . . . . . . A 40 LYS HD3 . 34609 1 426 . 1 . 1 44 44 LYS C C 13 178.070 0.000 . . . . . . A 40 LYS C . 34609 1 427 . 1 . 1 44 44 LYS CA C 13 54.090 0.000 . . . . . . A 40 LYS CA . 34609 1 428 . 1 . 1 44 44 LYS CB C 13 32.110 0.000 . . . . . . A 40 LYS CB . 34609 1 429 . 1 . 1 44 44 LYS N N 15 117.710 0.000 . . . . . . A 40 LYS N . 34609 1 430 . 1 . 1 45 45 ARG H H 1 9.280 0.000 . . . . . . A 41 ARG H . 34609 1 431 . 1 . 1 45 45 ARG HA H 1 4.406 0.000 . . . . . . A 41 ARG HA . 34609 1 432 . 1 . 1 45 45 ARG HB2 H 1 2.117 0.000 . . . . . . A 41 ARG HB2 . 34609 1 433 . 1 . 1 45 45 ARG HB3 H 1 2.029 0.000 . . . . . . A 41 ARG HB3 . 34609 1 434 . 1 . 1 45 45 ARG HG2 H 1 1.802 0.000 . . . . . . A 41 ARG HG2 . 34609 1 435 . 1 . 1 45 45 ARG HG3 H 1 1.766 0.000 . . . . . . A 41 ARG HG3 . 34609 1 436 . 1 . 1 45 45 ARG C C 13 175.890 0.000 . . . . . . A 41 ARG C . 34609 1 437 . 1 . 1 45 45 ARG CA C 13 57.950 0.000 . . . . . . A 41 ARG CA . 34609 1 438 . 1 . 1 45 45 ARG CB C 13 31.980 0.000 . . . . . . A 41 ARG CB . 34609 1 439 . 1 . 1 45 45 ARG N N 15 121.310 0.000 . . . . . . A 41 ARG N . 34609 1 440 . 1 . 1 46 46 ASN H H 1 7.297 0.000 . . . . . . A 42 ASN H . 34609 1 441 . 1 . 1 46 46 ASN HA H 1 3.827 0.000 . . . . . . A 42 ASN HA . 34609 1 442 . 1 . 1 46 46 ASN HB2 H 1 2.842 0.000 . . . . . . A 42 ASN HB2 . 34609 1 443 . 1 . 1 46 46 ASN HB3 H 1 2.663 0.000 . . . . . . A 42 ASN HB3 . 34609 1 444 . 1 . 1 46 46 ASN HD21 H 1 6.924 0.000 . . . . . . A 42 ASN HD21 . 34609 1 445 . 1 . 1 46 46 ASN HD22 H 1 7.514 0.000 . . . . . . A 42 ASN HD22 . 34609 1 446 . 1 . 1 46 46 ASN C C 13 172.500 0.000 . . . . . . A 42 ASN C . 34609 1 447 . 1 . 1 46 46 ASN CA C 13 51.180 0.000 . . . . . . A 42 ASN CA . 34609 1 448 . 1 . 1 46 46 ASN CB C 13 38.310 0.000 . . . . . . A 42 ASN CB . 34609 1 449 . 1 . 1 46 46 ASN N N 15 112.370 0.000 . . . . . . A 42 ASN N . 34609 1 450 . 1 . 1 46 46 ASN ND2 N 15 115.120 0.000 . . . . . . A 42 ASN ND2 . 34609 1 451 . 1 . 1 47 47 PRO HA H 1 3.513 0.000 . . . . . . A 43 PRO HA . 34609 1 452 . 1 . 1 47 47 PRO HB2 H 1 1.720 0.000 . . . . . . A 43 PRO HB2 . 34609 1 453 . 1 . 1 47 47 PRO HB3 H 1 1.859 0.000 . . . . . . A 43 PRO HB3 . 34609 1 454 . 1 . 1 47 47 PRO HG2 H 1 2.029 0.000 . . . . . . A 43 PRO HG2 . 34609 1 455 . 1 . 1 47 47 PRO HG3 H 1 1.896 0.000 . . . . . . A 43 PRO HG3 . 34609 1 456 . 1 . 1 47 47 PRO HD2 H 1 3.320 0.000 . . . . . . A 43 PRO HD2 . 34609 1 457 . 1 . 1 47 47 PRO HD3 H 1 3.289 0.000 . . . . . . A 43 PRO HD3 . 34609 1 458 . 1 . 1 47 47 PRO C C 13 177.070 0.000 . . . . . . A 43 PRO C . 34609 1 459 . 1 . 1 47 47 PRO CA C 13 64.950 0.000 . . . . . . A 43 PRO CA . 34609 1 460 . 1 . 1 47 47 PRO CB C 13 31.580 0.000 . . . . . . A 43 PRO CB . 34609 1 461 . 1 . 1 48 48 ASP H H 1 7.845 0.000 . . . . . . A 44 ASP H . 34609 1 462 . 1 . 1 48 48 ASP HA H 1 4.341 0.000 . . . . . . A 44 ASP HA . 34609 1 463 . 1 . 1 48 48 ASP HB2 H 1 2.645 0.000 . . . . . . A 44 ASP HB2 . 34609 1 464 . 1 . 1 48 48 ASP HB3 H 1 2.604 0.000 . . . . . . A 44 ASP HB3 . 34609 1 465 . 1 . 1 48 48 ASP C C 13 178.940 0.000 . . . . . . A 44 ASP C . 34609 1 466 . 1 . 1 48 48 ASP CA C 13 57.770 0.000 . . . . . . A 44 ASP CA . 34609 1 467 . 1 . 1 48 48 ASP CB C 13 40.230 0.000 . . . . . . A 44 ASP CB . 34609 1 468 . 1 . 1 48 48 ASP N N 15 118.710 0.000 . . . . . . A 44 ASP N . 34609 1 469 . 1 . 1 49 49 GLU H H 1 8.020 0.000 . . . . . . A 45 GLU H . 34609 1 470 . 1 . 1 49 49 GLU HA H 1 4.137 0.000 . . . . . . A 45 GLU HA . 34609 1 471 . 1 . 1 49 49 GLU HB2 H 1 2.139 0.000 . . . . . . A 45 GLU HB2 . 34609 1 472 . 1 . 1 49 49 GLU HB3 H 1 2.042 0.000 . . . . . . A 45 GLU HB3 . 34609 1 473 . 1 . 1 49 49 GLU HG2 H 1 2.594 0.000 . . . . . . A 45 GLU HG2 . 34609 1 474 . 1 . 1 49 49 GLU HG3 H 1 2.311 0.000 . . . . . . A 45 GLU HG3 . 34609 1 475 . 1 . 1 49 49 GLU C C 13 180.720 0.000 . . . . . . A 45 GLU C . 34609 1 476 . 1 . 1 49 49 GLU CA C 13 59.090 0.000 . . . . . . A 45 GLU CA . 34609 1 477 . 1 . 1 49 49 GLU CB C 13 31.450 0.000 . . . . . . A 45 GLU CB . 34609 1 478 . 1 . 1 49 49 GLU N N 15 119.560 0.000 . . . . . . A 45 GLU N . 34609 1 479 . 1 . 1 50 50 LEU H H 1 7.303 0.000 . . . . . . A 46 LEU H . 34609 1 480 . 1 . 1 50 50 LEU HA H 1 4.149 0.000 . . . . . . A 46 LEU HA . 34609 1 481 . 1 . 1 50 50 LEU HB2 H 1 2.180 0.000 . . . . . . A 46 LEU HB2 . 34609 1 482 . 1 . 1 50 50 LEU HB3 H 1 1.335 0.000 . . . . . . A 46 LEU HB3 . 34609 1 483 . 1 . 1 50 50 LEU HG H 1 1.558 0.000 . . . . . . A 46 LEU HG . 34609 1 484 . 1 . 1 50 50 LEU HD11 H 1 1.040 0.000 . . . . . . A 46 LEU HD11 . 34609 1 485 . 1 . 1 50 50 LEU HD12 H 1 1.040 0.000 . . . . . . A 46 LEU HD12 . 34609 1 486 . 1 . 1 50 50 LEU HD13 H 1 1.040 0.000 . . . . . . A 46 LEU HD13 . 34609 1 487 . 1 . 1 50 50 LEU HD21 H 1 0.925 0.000 . . . . . . A 46 LEU HD21 . 34609 1 488 . 1 . 1 50 50 LEU HD22 H 1 0.925 0.000 . . . . . . A 46 LEU HD22 . 34609 1 489 . 1 . 1 50 50 LEU HD23 H 1 0.925 0.000 . . . . . . A 46 LEU HD23 . 34609 1 490 . 1 . 1 50 50 LEU C C 13 176.860 0.000 . . . . . . A 46 LEU C . 34609 1 491 . 1 . 1 50 50 LEU CA C 13 58.410 0.000 . . . . . . A 46 LEU CA . 34609 1 492 . 1 . 1 50 50 LEU CB C 13 41.610 0.000 . . . . . . A 46 LEU CB . 34609 1 493 . 1 . 1 50 50 LEU N N 15 120.270 0.000 . . . . . . A 46 LEU N . 34609 1 494 . 1 . 1 51 51 ALA H H 1 8.659 0.000 . . . . . . A 47 ALA H . 34609 1 495 . 1 . 1 51 51 ALA HA H 1 3.965 0.000 . . . . . . A 47 ALA HA . 34609 1 496 . 1 . 1 51 51 ALA HB1 H 1 1.653 0.000 . . . . . . A 47 ALA HB1 . 34609 1 497 . 1 . 1 51 51 ALA HB2 H 1 1.653 0.000 . . . . . . A 47 ALA HB2 . 34609 1 498 . 1 . 1 51 51 ALA HB3 H 1 1.653 0.000 . . . . . . A 47 ALA HB3 . 34609 1 499 . 1 . 1 51 51 ALA C C 13 179.520 0.000 . . . . . . A 47 ALA C . 34609 1 500 . 1 . 1 51 51 ALA CA C 13 55.950 0.000 . . . . . . A 47 ALA CA . 34609 1 501 . 1 . 1 51 51 ALA CB C 13 18.330 0.000 . . . . . . A 47 ALA CB . 34609 1 502 . 1 . 1 51 51 ALA N N 15 122.440 0.000 . . . . . . A 47 ALA N . 34609 1 503 . 1 . 1 52 52 GLU H H 1 7.830 0.000 . . . . . . A 48 GLU H . 34609 1 504 . 1 . 1 52 52 GLU HA H 1 4.135 0.000 . . . . . . A 48 GLU HA . 34609 1 505 . 1 . 1 52 52 GLU HB2 H 1 2.148 0.000 . . . . . . A 48 GLU HB2 . 34609 1 506 . 1 . 1 52 52 GLU HB3 H 1 2.099 0.000 . . . . . . A 48 GLU HB3 . 34609 1 507 . 1 . 1 52 52 GLU HG2 H 1 2.478 0.000 . . . . . . A 48 GLU HG2 . 34609 1 508 . 1 . 1 52 52 GLU HG3 H 1 2.266 0.000 . . . . . . A 48 GLU HG3 . 34609 1 509 . 1 . 1 52 52 GLU C C 13 178.740 0.000 . . . . . . A 48 GLU C . 34609 1 510 . 1 . 1 52 52 GLU CA C 13 59.590 0.000 . . . . . . A 48 GLU CA . 34609 1 511 . 1 . 1 52 52 GLU CB C 13 30.070 0.000 . . . . . . A 48 GLU CB . 34609 1 512 . 1 . 1 52 52 GLU N N 15 117.000 0.000 . . . . . . A 48 GLU N . 34609 1 513 . 1 . 1 53 53 ALA H H 1 7.550 0.000 . . . . . . A 49 ALA H . 34609 1 514 . 1 . 1 53 53 ALA HA H 1 4.398 0.000 . . . . . . A 49 ALA HA . 34609 1 515 . 1 . 1 53 53 ALA HB1 H 1 1.609 0.000 . . . . . . A 49 ALA HB1 . 34609 1 516 . 1 . 1 53 53 ALA HB2 H 1 1.609 0.000 . . . . . . A 49 ALA HB2 . 34609 1 517 . 1 . 1 53 53 ALA HB3 H 1 1.609 0.000 . . . . . . A 49 ALA HB3 . 34609 1 518 . 1 . 1 53 53 ALA C C 13 180.310 0.000 . . . . . . A 49 ALA C . 34609 1 519 . 1 . 1 53 53 ALA CA C 13 54.860 0.000 . . . . . . A 49 ALA CA . 34609 1 520 . 1 . 1 53 53 ALA CB C 13 19.180 0.000 . . . . . . A 49 ALA CB . 34609 1 521 . 1 . 1 53 53 ALA N N 15 121.870 0.000 . . . . . . A 49 ALA N . 34609 1 522 . 1 . 1 54 54 LEU H H 1 8.602 0.000 . . . . . . A 50 LEU H . 34609 1 523 . 1 . 1 54 54 LEU HA H 1 3.995 0.000 . . . . . . A 50 LEU HA . 34609 1 524 . 1 . 1 54 54 LEU HB2 H 1 2.143 0.000 . . . . . . A 50 LEU HB2 . 34609 1 525 . 1 . 1 54 54 LEU HB3 H 1 1.936 0.000 . . . . . . A 50 LEU HB3 . 34609 1 526 . 1 . 1 54 54 LEU HG H 1 1.575 0.000 . . . . . . A 50 LEU HG . 34609 1 527 . 1 . 1 54 54 LEU HD11 H 1 0.725 0.000 . . . . . . A 50 LEU HD11 . 34609 1 528 . 1 . 1 54 54 LEU HD12 H 1 0.725 0.000 . . . . . . A 50 LEU HD12 . 34609 1 529 . 1 . 1 54 54 LEU HD13 H 1 0.725 0.000 . . . . . . A 50 LEU HD13 . 34609 1 530 . 1 . 1 54 54 LEU HD21 H 1 0.777 0.000 . . . . . . A 50 LEU HD21 . 34609 1 531 . 1 . 1 54 54 LEU HD22 H 1 0.777 0.000 . . . . . . A 50 LEU HD22 . 34609 1 532 . 1 . 1 54 54 LEU HD23 H 1 0.777 0.000 . . . . . . A 50 LEU HD23 . 34609 1 533 . 1 . 1 54 54 LEU C C 13 179.120 0.000 . . . . . . A 50 LEU C . 34609 1 534 . 1 . 1 54 54 LEU CA C 13 58.180 0.000 . . . . . . A 50 LEU CA . 34609 1 535 . 1 . 1 54 54 LEU CB C 13 41.350 0.000 . . . . . . A 50 LEU CB . 34609 1 536 . 1 . 1 54 54 LEU N N 15 118.330 0.000 . . . . . . A 50 LEU N . 34609 1 537 . 1 . 1 55 55 ASP H H 1 8.153 0.000 . . . . . . A 51 ASP H . 34609 1 538 . 1 . 1 55 55 ASP HA H 1 4.469 0.000 . . . . . . A 51 ASP HA . 34609 1 539 . 1 . 1 55 55 ASP HB2 H 1 2.741 0.000 . . . . . . A 51 ASP HB2 . 34609 1 540 . 1 . 1 55 55 ASP HB3 H 1 2.884 0.000 . . . . . . A 51 ASP HB3 . 34609 1 541 . 1 . 1 55 55 ASP C C 13 177.770 0.000 . . . . . . A 51 ASP C . 34609 1 542 . 1 . 1 55 55 ASP CA C 13 57.230 0.000 . . . . . . A 51 ASP CA . 34609 1 543 . 1 . 1 55 55 ASP CB C 13 41.220 0.000 . . . . . . A 51 ASP CB . 34609 1 544 . 1 . 1 55 55 ASP N N 15 119.890 0.000 . . . . . . A 51 ASP N . 34609 1 545 . 1 . 1 56 56 GLU H H 1 7.707 0.000 . . . . . . A 52 GLU H . 34609 1 546 . 1 . 1 56 56 GLU HA H 1 4.137 0.000 . . . . . . A 52 GLU HA . 34609 1 547 . 1 . 1 56 56 GLU HB2 H 1 2.229 0.000 . . . . . . A 52 GLU HB2 . 34609 1 548 . 1 . 1 56 56 GLU HB3 H 1 2.158 0.000 . . . . . . A 52 GLU HB3 . 34609 1 549 . 1 . 1 56 56 GLU HG2 H 1 2.477 0.000 . . . . . . A 52 GLU HG2 . 34609 1 550 . 1 . 1 56 56 GLU HG3 H 1 2.448 0.000 . . . . . . A 52 GLU HG3 . 34609 1 551 . 1 . 1 56 56 GLU C C 13 178.480 0.000 . . . . . . A 52 GLU C . 34609 1 552 . 1 . 1 56 56 GLU CA C 13 59.000 0.000 . . . . . . A 52 GLU CA . 34609 1 553 . 1 . 1 56 56 GLU CB C 13 30.460 0.000 . . . . . . A 52 GLU CB . 34609 1 554 . 1 . 1 56 56 GLU N N 15 116.440 0.000 . . . . . . A 52 GLU N . 34609 1 555 . 1 . 1 57 57 ARG H H 1 7.999 0.000 . . . . . . A 53 ARG H . 34609 1 556 . 1 . 1 57 57 ARG HA H 1 4.496 0.000 . . . . . . A 53 ARG HA . 34609 1 557 . 1 . 1 57 57 ARG HB2 H 1 1.895 0.000 . . . . . . A 53 ARG HB2 . 34609 1 558 . 1 . 1 57 57 ARG HB3 H 1 1.934 0.000 . . . . . . A 53 ARG HB3 . 34609 1 559 . 1 . 1 57 57 ARG HG2 H 1 1.754 0.000 . . . . . . A 53 ARG HG2 . 34609 1 560 . 1 . 1 57 57 ARG HG3 H 1 1.717 0.000 . . . . . . A 53 ARG HG3 . 34609 1 561 . 1 . 1 57 57 ARG HD2 H 1 3.330 0.000 . . . . . . A 53 ARG HD2 . 34609 1 562 . 1 . 1 57 57 ARG HD3 H 1 3.273 0.000 . . . . . . A 53 ARG HD3 . 34609 1 563 . 1 . 1 57 57 ARG C C 13 176.960 0.000 . . . . . . A 53 ARG C . 34609 1 564 . 1 . 1 57 57 ARG CA C 13 56.540 0.000 . . . . . . A 53 ARG CA . 34609 1 565 . 1 . 1 57 57 ARG CB C 13 31.910 0.000 . . . . . . A 53 ARG CB . 34609 1 566 . 1 . 1 57 57 ARG N N 15 115.820 0.000 . . . . . . A 53 ARG N . 34609 1 567 . 1 . 1 58 58 LEU H H 1 8.400 0.000 . . . . . . A 54 LEU H . 34609 1 568 . 1 . 1 58 58 LEU HA H 1 5.006 0.000 . . . . . . A 54 LEU HA . 34609 1 569 . 1 . 1 58 58 LEU HB2 H 1 2.028 0.000 . . . . . . A 54 LEU HB2 . 34609 1 570 . 1 . 1 58 58 LEU HB3 H 1 2.057 0.000 . . . . . . A 54 LEU HB3 . 34609 1 571 . 1 . 1 58 58 LEU HG H 1 1.582 0.000 . . . . . . A 54 LEU HG . 34609 1 572 . 1 . 1 58 58 LEU HD11 H 1 0.922 0.000 . . . . . . A 54 LEU HD11 . 34609 1 573 . 1 . 1 58 58 LEU HD12 H 1 0.922 0.000 . . . . . . A 54 LEU HD12 . 34609 1 574 . 1 . 1 58 58 LEU HD13 H 1 0.922 0.000 . . . . . . A 54 LEU HD13 . 34609 1 575 . 1 . 1 58 58 LEU HD21 H 1 0.999 0.000 . . . . . . A 54 LEU HD21 . 34609 1 576 . 1 . 1 58 58 LEU HD22 H 1 0.999 0.000 . . . . . . A 54 LEU HD22 . 34609 1 577 . 1 . 1 58 58 LEU HD23 H 1 0.999 0.000 . . . . . . A 54 LEU HD23 . 34609 1 578 . 1 . 1 58 58 LEU C C 13 177.980 0.000 . . . . . . A 54 LEU C . 34609 1 579 . 1 . 1 58 58 LEU CA C 13 53.910 0.000 . . . . . . A 54 LEU CA . 34609 1 580 . 1 . 1 58 58 LEU CB C 13 42.600 0.000 . . . . . . A 54 LEU CB . 34609 1 581 . 1 . 1 58 58 LEU N N 15 121.730 0.000 . . . . . . A 54 LEU N . 34609 1 582 . 1 . 1 59 59 GLY H H 1 8.126 0.000 . . . . . . A 55 GLY H . 34609 1 583 . 1 . 1 59 59 GLY HA2 H 1 4.016 0.000 . . . . . . A 55 GLY HA2 . 34609 1 584 . 1 . 1 59 59 GLY HA3 H 1 4.058 0.000 . . . . . . A 55 GLY HA3 . 34609 1 585 . 1 . 1 59 59 GLY C C 13 175.180 0.000 . . . . . . A 55 GLY C . 34609 1 586 . 1 . 1 59 59 GLY CA C 13 47.410 0.000 . . . . . . A 55 GLY CA . 34609 1 587 . 1 . 1 59 59 GLY N N 15 108.310 0.000 . . . . . . A 55 GLY N . 34609 1 588 . 1 . 1 60 60 ASP H H 1 8.529 0.000 . . . . . . A 56 ASP H . 34609 1 589 . 1 . 1 60 60 ASP HA H 1 4.431 0.000 . . . . . . A 56 ASP HA . 34609 1 590 . 1 . 1 60 60 ASP HB2 H 1 2.463 0.000 . . . . . . A 56 ASP HB2 . 34609 1 591 . 1 . 1 60 60 ASP HB3 H 1 2.296 0.000 . . . . . . A 56 ASP HB3 . 34609 1 592 . 1 . 1 60 60 ASP C C 13 176.130 0.000 . . . . . . A 56 ASP C . 34609 1 593 . 1 . 1 60 60 ASP CA C 13 55.280 0.000 . . . . . . A 56 ASP CA . 34609 1 594 . 1 . 1 60 60 ASP CB C 13 40.360 0.000 . . . . . . A 56 ASP CB . 34609 1 595 . 1 . 1 60 60 ASP N N 15 118.520 0.000 . . . . . . A 56 ASP N . 34609 1 596 . 1 . 1 61 61 PHE H H 1 7.740 0.000 . . . . . . A 57 PHE H . 34609 1 597 . 1 . 1 61 61 PHE HA H 1 4.144 0.000 . . . . . . A 57 PHE HA . 34609 1 598 . 1 . 1 61 61 PHE HB2 H 1 2.348 0.000 . . . . . . A 57 PHE HB2 . 34609 1 599 . 1 . 1 61 61 PHE HB3 H 1 1.944 0.000 . . . . . . A 57 PHE HB3 . 34609 1 600 . 1 . 1 61 61 PHE HD1 H 1 7.018 0.000 . . . . . . A 57 PHE HD1 . 34609 1 601 . 1 . 1 61 61 PHE HD2 H 1 7.018 0.000 . . . . . . A 57 PHE HD2 . 34609 1 602 . 1 . 1 61 61 PHE HE1 H 1 7.310 0.000 . . . . . . A 57 PHE HE1 . 34609 1 603 . 1 . 1 61 61 PHE HE2 H 1 7.310 0.000 . . . . . . A 57 PHE HE2 . 34609 1 604 . 1 . 1 61 61 PHE C C 13 174.430 0.000 . . . . . . A 57 PHE C . 34609 1 605 . 1 . 1 61 61 PHE CA C 13 58.230 0.000 . . . . . . A 57 PHE CA . 34609 1 606 . 1 . 1 61 61 PHE CB C 13 40.620 0.000 . . . . . . A 57 PHE CB . 34609 1 607 . 1 . 1 61 61 PHE N N 15 118.940 0.000 . . . . . . A 57 PHE N . 34609 1 608 . 1 . 1 62 62 ALA H H 1 7.960 0.000 . . . . . . A 58 ALA H . 34609 1 609 . 1 . 1 62 62 ALA HA H 1 4.341 0.000 . . . . . . A 58 ALA HA . 34609 1 610 . 1 . 1 62 62 ALA HB1 H 1 1.196 0.000 . . . . . . A 58 ALA HB1 . 34609 1 611 . 1 . 1 62 62 ALA HB2 H 1 1.196 0.000 . . . . . . A 58 ALA HB2 . 34609 1 612 . 1 . 1 62 62 ALA HB3 H 1 1.196 0.000 . . . . . . A 58 ALA HB3 . 34609 1 613 . 1 . 1 62 62 ALA C C 13 176.540 0.000 . . . . . . A 58 ALA C . 34609 1 614 . 1 . 1 62 62 ALA CA C 13 51.360 0.000 . . . . . . A 58 ALA CA . 34609 1 615 . 1 . 1 62 62 ALA CB C 13 18.390 0.000 . . . . . . A 58 ALA CB . 34609 1 616 . 1 . 1 62 62 ALA N N 15 124.470 0.000 . . . . . . A 58 ALA N . 34609 1 617 . 1 . 1 63 63 PHE H H 1 8.490 0.000 . . . . . . A 59 PHE H . 34609 1 618 . 1 . 1 63 63 PHE HA H 1 4.716 0.000 . . . . . . A 59 PHE HA . 34609 1 619 . 1 . 1 63 63 PHE HB2 H 1 2.899 0.000 . . . . . . A 59 PHE HB2 . 34609 1 620 . 1 . 1 63 63 PHE HB3 H 1 2.784 0.000 . . . . . . A 59 PHE HB3 . 34609 1 621 . 1 . 1 63 63 PHE HD1 H 1 7.091 0.000 . . . . . . A 59 PHE HD1 . 34609 1 622 . 1 . 1 63 63 PHE HD2 H 1 7.091 0.000 . . . . . . A 59 PHE HD2 . 34609 1 623 . 1 . 1 63 63 PHE HE1 H 1 7.009 0.000 . . . . . . A 59 PHE HE1 . 34609 1 624 . 1 . 1 63 63 PHE HE2 H 1 7.009 0.000 . . . . . . A 59 PHE HE2 . 34609 1 625 . 1 . 1 63 63 PHE C C 13 174.610 0.000 . . . . . . A 59 PHE C . 34609 1 626 . 1 . 1 63 63 PHE CA C 13 56.040 0.000 . . . . . . A 59 PHE CA . 34609 1 627 . 1 . 1 63 63 PHE CB C 13 39.630 0.000 . . . . . . A 59 PHE CB . 34609 1 628 . 1 . 1 63 63 PHE N N 15 120.800 0.000 . . . . . . A 59 PHE N . 34609 1 629 . 1 . 1 64 64 PRO HA H 1 4.765 0.000 . . . . . . A 60 PRO HA . 34609 1 630 . 1 . 1 64 64 PRO HB2 H 1 2.752 0.000 . . . . . . A 60 PRO HB2 . 34609 1 631 . 1 . 1 64 64 PRO HB3 H 1 2.260 0.000 . . . . . . A 60 PRO HB3 . 34609 1 632 . 1 . 1 64 64 PRO HG2 H 1 2.414 0.000 . . . . . . A 60 PRO HG2 . 34609 1 633 . 1 . 1 64 64 PRO HG3 H 1 2.388 0.000 . . . . . . A 60 PRO HG3 . 34609 1 634 . 1 . 1 64 64 PRO HD2 H 1 4.164 0.000 . . . . . . A 60 PRO HD2 . 34609 1 635 . 1 . 1 64 64 PRO HD3 H 1 3.556 0.000 . . . . . . A 60 PRO HD3 . 34609 1 636 . 1 . 1 64 64 PRO C C 13 177.620 0.000 . . . . . . A 60 PRO C . 34609 1 637 . 1 . 1 64 64 PRO CA C 13 62.590 0.000 . . . . . . A 60 PRO CA . 34609 1 638 . 1 . 1 64 64 PRO CB C 13 32.640 0.000 . . . . . . A 60 PRO CB . 34609 1 639 . 1 . 1 65 65 ASP H H 1 9.072 0.000 . . . . . . A 61 ASP H . 34609 1 640 . 1 . 1 65 65 ASP HA H 1 4.284 0.000 . . . . . . A 61 ASP HA . 34609 1 641 . 1 . 1 65 65 ASP HB2 H 1 2.674 0.000 . . . . . . A 61 ASP HB2 . 34609 1 642 . 1 . 1 65 65 ASP HB3 H 1 2.608 0.000 . . . . . . A 61 ASP HB3 . 34609 1 643 . 1 . 1 65 65 ASP C C 13 178.310 0.000 . . . . . . A 61 ASP C . 34609 1 644 . 1 . 1 65 65 ASP CA C 13 58.270 0.000 . . . . . . A 61 ASP CA . 34609 1 645 . 1 . 1 65 65 ASP CB C 13 40.560 0.000 . . . . . . A 61 ASP CB . 34609 1 646 . 1 . 1 65 65 ASP N N 15 124.000 0.000 . . . . . . A 61 ASP N . 34609 1 647 . 1 . 1 66 66 GLU H H 1 9.554 0.000 . . . . . . A 62 GLU H . 34609 1 648 . 1 . 1 66 66 GLU HA H 1 4.063 0.000 . . . . . . A 62 GLU HA . 34609 1 649 . 1 . 1 66 66 GLU HB2 H 1 2.248 0.000 . . . . . . A 62 GLU HB2 . 34609 1 650 . 1 . 1 66 66 GLU HB3 H 1 2.184 0.000 . . . . . . A 62 GLU HB3 . 34609 1 651 . 1 . 1 66 66 GLU HG2 H 1 2.651 0.000 . . . . . . A 62 GLU HG2 . 34609 1 652 . 1 . 1 66 66 GLU HG3 H 1 2.426 0.000 . . . . . . A 62 GLU HG3 . 34609 1 653 . 1 . 1 66 66 GLU C C 13 178.230 0.000 . . . . . . A 62 GLU C . 34609 1 654 . 1 . 1 66 66 GLU CA C 13 60.770 0.000 . . . . . . A 62 GLU CA . 34609 1 655 . 1 . 1 66 66 GLU CB C 13 29.280 0.000 . . . . . . A 62 GLU CB . 34609 1 656 . 1 . 1 66 66 GLU N N 15 117.810 0.000 . . . . . . A 62 GLU N . 34609 1 657 . 1 . 1 67 67 PHE H H 1 6.962 0.000 . . . . . . A 63 PHE H . 34609 1 658 . 1 . 1 67 67 PHE HA H 1 3.625 0.000 . . . . . . A 63 PHE HA . 34609 1 659 . 1 . 1 67 67 PHE HB2 H 1 3.045 0.000 . . . . . . A 63 PHE HB2 . 34609 1 660 . 1 . 1 67 67 PHE HB3 H 1 2.210 0.000 . . . . . . A 63 PHE HB3 . 34609 1 661 . 1 . 1 67 67 PHE HD1 H 1 6.691 0.000 . . . . . . A 63 PHE HD1 . 34609 1 662 . 1 . 1 67 67 PHE HD2 H 1 6.691 0.000 . . . . . . A 63 PHE HD2 . 34609 1 663 . 1 . 1 67 67 PHE HE1 H 1 6.556 0.000 . . . . . . A 63 PHE HE1 . 34609 1 664 . 1 . 1 67 67 PHE HE2 H 1 6.556 0.000 . . . . . . A 63 PHE HE2 . 34609 1 665 . 1 . 1 67 67 PHE C C 13 175.890 0.000 . . . . . . A 63 PHE C . 34609 1 666 . 1 . 1 67 67 PHE CA C 13 60.950 0.000 . . . . . . A 63 PHE CA . 34609 1 667 . 1 . 1 67 67 PHE CB C 13 39.100 0.000 . . . . . . A 63 PHE CB . 34609 1 668 . 1 . 1 67 67 PHE N N 15 118.280 0.000 . . . . . . A 63 PHE N . 34609 1 669 . 1 . 1 68 68 VAL H H 1 7.577 0.000 . . . . . . A 64 VAL H . 34609 1 670 . 1 . 1 68 68 VAL HA H 1 2.936 0.000 . . . . . . A 64 VAL HA . 34609 1 671 . 1 . 1 68 68 VAL HB H 1 2.216 0.000 . . . . . . A 64 VAL HB . 34609 1 672 . 1 . 1 68 68 VAL HG11 H 1 0.842 0.000 . . . . . . A 64 VAL HG11 . 34609 1 673 . 1 . 1 68 68 VAL HG12 H 1 0.842 0.000 . . . . . . A 64 VAL HG12 . 34609 1 674 . 1 . 1 68 68 VAL HG13 H 1 0.842 0.000 . . . . . . A 64 VAL HG13 . 34609 1 675 . 1 . 1 68 68 VAL HG21 H 1 1.038 0.000 . . . . . . A 64 VAL HG21 . 34609 1 676 . 1 . 1 68 68 VAL HG22 H 1 1.038 0.000 . . . . . . A 64 VAL HG22 . 34609 1 677 . 1 . 1 68 68 VAL HG23 H 1 1.038 0.000 . . . . . . A 64 VAL HG23 . 34609 1 678 . 1 . 1 68 68 VAL C C 13 177.740 0.000 . . . . . . A 64 VAL C . 34609 1 679 . 1 . 1 68 68 VAL CA C 13 67.590 0.000 . . . . . . A 64 VAL CA . 34609 1 680 . 1 . 1 68 68 VAL CB C 13 31.060 0.000 . . . . . . A 64 VAL CB . 34609 1 681 . 1 . 1 68 68 VAL N N 15 119.130 0.000 . . . . . . A 64 VAL N . 34609 1 682 . 1 . 1 69 69 PHE H H 1 8.071 0.000 . . . . . . A 65 PHE H . 34609 1 683 . 1 . 1 69 69 PHE HA H 1 4.103 0.000 . . . . . . A 65 PHE HA . 34609 1 684 . 1 . 1 69 69 PHE HB2 H 1 3.208 0.000 . . . . . . A 65 PHE HB2 . 34609 1 685 . 1 . 1 69 69 PHE HB3 H 1 3.255 0.000 . . . . . . A 65 PHE HB3 . 34609 1 686 . 1 . 1 69 69 PHE HD1 H 1 7.341 0.000 . . . . . . A 65 PHE HD1 . 34609 1 687 . 1 . 1 69 69 PHE HD2 H 1 7.341 0.000 . . . . . . A 65 PHE HD2 . 34609 1 688 . 1 . 1 69 69 PHE HE1 H 1 7.400 0.000 . . . . . . A 65 PHE HE1 . 34609 1 689 . 1 . 1 69 69 PHE HE2 H 1 7.400 0.000 . . . . . . A 65 PHE HE2 . 34609 1 690 . 1 . 1 69 69 PHE C C 13 178.610 0.000 . . . . . . A 65 PHE C . 34609 1 691 . 1 . 1 69 69 PHE CA C 13 62.410 0.000 . . . . . . A 65 PHE CA . 34609 1 692 . 1 . 1 69 69 PHE CB C 13 38.970 0.000 . . . . . . A 65 PHE CB . 34609 1 693 . 1 . 1 69 69 PHE N N 15 118.910 0.000 . . . . . . A 65 PHE N . 34609 1 694 . 1 . 1 70 70 ASP H H 1 8.056 0.000 . . . . . . A 66 ASP H . 34609 1 695 . 1 . 1 70 70 ASP HA H 1 4.547 0.000 . . . . . . A 66 ASP HA . 34609 1 696 . 1 . 1 70 70 ASP HB2 H 1 2.724 0.000 . . . . . . A 66 ASP HB2 . 34609 1 697 . 1 . 1 70 70 ASP HB3 H 1 2.832 0.000 . . . . . . A 66 ASP HB3 . 34609 1 698 . 1 . 1 70 70 ASP C C 13 179.590 0.000 . . . . . . A 66 ASP C . 34609 1 699 . 1 . 1 70 70 ASP CA C 13 57.590 0.000 . . . . . . A 66 ASP CA . 34609 1 700 . 1 . 1 70 70 ASP CB C 13 40.620 0.000 . . . . . . A 66 ASP CB . 34609 1 701 . 1 . 1 70 70 ASP N N 15 122.010 0.000 . . . . . . A 66 ASP N . 34609 1 702 . 1 . 1 71 71 VAL H H 1 8.623 0.000 . . . . . . A 67 VAL H . 34609 1 703 . 1 . 1 71 71 VAL HA H 1 3.182 0.000 . . . . . . A 67 VAL HA . 34609 1 704 . 1 . 1 71 71 VAL HB H 1 1.745 0.000 . . . . . . A 67 VAL HB . 34609 1 705 . 1 . 1 71 71 VAL HG11 H 1 0.656 0.000 . . . . . . A 67 VAL HG11 . 34609 1 706 . 1 . 1 71 71 VAL HG12 H 1 0.656 0.000 . . . . . . A 67 VAL HG12 . 34609 1 707 . 1 . 1 71 71 VAL HG13 H 1 0.656 0.000 . . . . . . A 67 VAL HG13 . 34609 1 708 . 1 . 1 71 71 VAL HG21 H 1 0.132 0.000 . . . . . . A 67 VAL HG21 . 34609 1 709 . 1 . 1 71 71 VAL HG22 H 1 0.132 0.000 . . . . . . A 67 VAL HG22 . 34609 1 710 . 1 . 1 71 71 VAL HG23 H 1 0.132 0.000 . . . . . . A 67 VAL HG23 . 34609 1 711 . 1 . 1 71 71 VAL C C 13 176.870 0.000 . . . . . . A 67 VAL C . 34609 1 712 . 1 . 1 71 71 VAL CA C 13 67.310 0.000 . . . . . . A 67 VAL CA . 34609 1 713 . 1 . 1 71 71 VAL CB C 13 31.320 0.000 . . . . . . A 67 VAL CB . 34609 1 714 . 1 . 1 71 71 VAL N N 15 124.380 0.000 . . . . . . A 67 VAL N . 34609 1 715 . 1 . 1 72 72 TRP H H 1 8.466 0.000 . . . . . . A 68 TRP H . 34609 1 716 . 1 . 1 72 72 TRP HA H 1 3.877 0.000 . . . . . . A 68 TRP HA . 34609 1 717 . 1 . 1 72 72 TRP HB2 H 1 3.482 0.000 . . . . . . A 68 TRP HB2 . 34609 1 718 . 1 . 1 72 72 TRP HB3 H 1 3.094 0.000 . . . . . . A 68 TRP HB3 . 34609 1 719 . 1 . 1 72 72 TRP C C 13 178.970 0.000 . . . . . . A 68 TRP C . 34609 1 720 . 1 . 1 72 72 TRP CA C 13 61.770 0.000 . . . . . . A 68 TRP CA . 34609 1 721 . 1 . 1 72 72 TRP CB C 13 28.880 0.000 . . . . . . A 68 TRP CB . 34609 1 722 . 1 . 1 72 72 TRP N N 15 120.220 0.000 . . . . . . A 68 TRP N . 34609 1 723 . 1 . 1 73 73 GLY H H 1 8.219 0.000 . . . . . . A 69 GLY H . 34609 1 724 . 1 . 1 73 73 GLY HA2 H 1 3.444 0.000 . . . . . . A 69 GLY HA2 . 34609 1 725 . 1 . 1 73 73 GLY HA3 H 1 3.870 0.000 . . . . . . A 69 GLY HA3 . 34609 1 726 . 1 . 1 73 73 GLY C C 13 175.010 0.000 . . . . . . A 69 GLY C . 34609 1 727 . 1 . 1 73 73 GLY CA C 13 47.050 0.000 . . . . . . A 69 GLY CA . 34609 1 728 . 1 . 1 73 73 GLY N N 15 106.180 0.000 . . . . . . A 69 GLY N . 34609 1 729 . 1 . 1 74 74 ALA H H 1 8.056 0.000 . . . . . . A 70 ALA H . 34609 1 730 . 1 . 1 74 74 ALA HA H 1 4.176 0.000 . . . . . . A 70 ALA HA . 34609 1 731 . 1 . 1 74 74 ALA HB1 H 1 1.390 0.000 . . . . . . A 70 ALA HB1 . 34609 1 732 . 1 . 1 74 74 ALA HB2 H 1 1.390 0.000 . . . . . . A 70 ALA HB2 . 34609 1 733 . 1 . 1 74 74 ALA HB3 H 1 1.390 0.000 . . . . . . A 70 ALA HB3 . 34609 1 734 . 1 . 1 74 74 ALA C C 13 180.330 0.000 . . . . . . A 70 ALA C . 34609 1 735 . 1 . 1 74 74 ALA CA C 13 54.860 0.000 . . . . . . A 70 ALA CA . 34609 1 736 . 1 . 1 74 74 ALA CB C 13 18.850 0.000 . . . . . . A 70 ALA CB . 34609 1 737 . 1 . 1 74 74 ALA N N 15 124.710 0.000 . . . . . . A 70 ALA N . 34609 1 738 . 1 . 1 75 75 ILE H H 1 8.041 0.000 . . . . . . A 71 ILE H . 34609 1 739 . 1 . 1 75 75 ILE HA H 1 3.467 0.000 . . . . . . A 71 ILE HA . 34609 1 740 . 1 . 1 75 75 ILE HB H 1 1.188 0.000 . . . . . . A 71 ILE HB . 34609 1 741 . 1 . 1 75 75 ILE HG12 H 1 1.638 0.000 . . . . . . A 71 ILE HG12 . 34609 1 742 . 1 . 1 75 75 ILE HG13 H 1 0.909 0.000 . . . . . . A 71 ILE HG13 . 34609 1 743 . 1 . 1 75 75 ILE HG21 H 1 0.768 0.000 . . . . . . A 71 ILE HG21 . 34609 1 744 . 1 . 1 75 75 ILE HG22 H 1 0.768 0.000 . . . . . . A 71 ILE HG22 . 34609 1 745 . 1 . 1 75 75 ILE HG23 H 1 0.768 0.000 . . . . . . A 71 ILE HG23 . 34609 1 746 . 1 . 1 75 75 ILE HD11 H 1 0.692 0.000 . . . . . . A 71 ILE HD11 . 34609 1 747 . 1 . 1 75 75 ILE HD12 H 1 0.692 0.000 . . . . . . A 71 ILE HD12 . 34609 1 748 . 1 . 1 75 75 ILE HD13 H 1 0.692 0.000 . . . . . . A 71 ILE HD13 . 34609 1 749 . 1 . 1 75 75 ILE C C 13 177.580 0.000 . . . . . . A 71 ILE C . 34609 1 750 . 1 . 1 75 75 ILE CA C 13 65.770 0.000 . . . . . . A 71 ILE CA . 34609 1 751 . 1 . 1 75 75 ILE CB C 13 38.380 0.000 . . . . . . A 71 ILE CB . 34609 1 752 . 1 . 1 75 75 ILE N N 15 117.520 0.000 . . . . . . A 71 ILE N . 34609 1 753 . 1 . 1 76 76 GLY H H 1 7.595 0.000 . . . . . . A 72 GLY H . 34609 1 754 . 1 . 1 76 76 GLY HA2 H 1 3.374 0.000 . . . . . . A 72 GLY HA2 . 34609 1 755 . 1 . 1 76 76 GLY HA3 H 1 3.494 0.000 . . . . . . A 72 GLY HA3 . 34609 1 756 . 1 . 1 76 76 GLY C C 13 176.790 0.000 . . . . . . A 72 GLY C . 34609 1 757 . 1 . 1 76 76 GLY CA C 13 47.460 0.000 . . . . . . A 72 GLY CA . 34609 1 758 . 1 . 1 76 76 GLY N N 15 107.220 0.000 . . . . . . A 72 GLY N . 34609 1 759 . 1 . 1 77 77 ASP H H 1 8.382 0.000 . . . . . . A 73 ASP H . 34609 1 760 . 1 . 1 77 77 ASP HA H 1 4.360 0.000 . . . . . . A 73 ASP HA . 34609 1 761 . 1 . 1 77 77 ASP HB2 H 1 2.794 0.000 . . . . . . A 73 ASP HB2 . 34609 1 762 . 1 . 1 77 77 ASP HB3 H 1 2.648 0.000 . . . . . . A 73 ASP HB3 . 34609 1 763 . 1 . 1 77 77 ASP C C 13 178.400 0.000 . . . . . . A 73 ASP C . 34609 1 764 . 1 . 1 77 77 ASP CA C 13 56.680 0.000 . . . . . . A 73 ASP CA . 34609 1 765 . 1 . 1 77 77 ASP CB C 13 40.560 0.000 . . . . . . A 73 ASP CB . 34609 1 766 . 1 . 1 77 77 ASP N N 15 122.210 0.000 . . . . . . A 73 ASP N . 34609 1 767 . 1 . 1 78 78 ALA H H 1 7.869 0.000 . . . . . . A 74 ALA H . 34609 1 768 . 1 . 1 78 78 ALA HA H 1 4.144 0.000 . . . . . . A 74 ALA HA . 34609 1 769 . 1 . 1 78 78 ALA HB1 H 1 1.559 0.000 . . . . . . A 74 ALA HB1 . 34609 1 770 . 1 . 1 78 78 ALA HB2 H 1 1.559 0.000 . . . . . . A 74 ALA HB2 . 34609 1 771 . 1 . 1 78 78 ALA HB3 H 1 1.559 0.000 . . . . . . A 74 ALA HB3 . 34609 1 772 . 1 . 1 78 78 ALA C C 13 179.180 0.000 . . . . . . A 74 ALA C . 34609 1 773 . 1 . 1 78 78 ALA CA C 13 54.450 0.000 . . . . . . A 74 ALA CA . 34609 1 774 . 1 . 1 78 78 ALA CB C 13 18.460 0.000 . . . . . . A 74 ALA CB . 34609 1 775 . 1 . 1 78 78 ALA N N 15 121.970 0.000 . . . . . . A 74 ALA N . 34609 1 776 . 1 . 1 79 79 LYS H H 1 7.960 0.000 . . . . . . A 75 LYS H . 34609 1 777 . 1 . 1 79 79 LYS HA H 1 3.745 0.000 . . . . . . A 75 LYS HA . 34609 1 778 . 1 . 1 79 79 LYS HB2 H 1 1.776 0.000 . . . . . . A 75 LYS HB2 . 34609 1 779 . 1 . 1 79 79 LYS HB3 H 1 1.714 0.000 . . . . . . A 75 LYS HB3 . 34609 1 780 . 1 . 1 79 79 LYS HG2 H 1 1.390 0.000 . . . . . . A 75 LYS HG2 . 34609 1 781 . 1 . 1 79 79 LYS HG3 H 1 0.819 0.000 . . . . . . A 75 LYS HG3 . 34609 1 782 . 1 . 1 79 79 LYS HD2 H 1 1.177 0.000 . . . . . . A 75 LYS HD2 . 34609 1 783 . 1 . 1 79 79 LYS HD3 H 1 1.177 0.000 . . . . . . A 75 LYS HD3 . 34609 1 784 . 1 . 1 79 79 LYS HE2 H 1 2.640 0.000 . . . . . . A 75 LYS HE2 . 34609 1 785 . 1 . 1 79 79 LYS HE3 H 1 2.640 0.000 . . . . . . A 75 LYS HE3 . 34609 1 786 . 1 . 1 79 79 LYS C C 13 177.490 0.000 . . . . . . A 75 LYS C . 34609 1 787 . 1 . 1 79 79 LYS CA C 13 59.360 0.000 . . . . . . A 75 LYS CA . 34609 1 788 . 1 . 1 79 79 LYS CB C 13 33.170 0.000 . . . . . . A 75 LYS CB . 34609 1 789 . 1 . 1 79 79 LYS N N 15 117.480 0.000 . . . . . . A 75 LYS N . 34609 1 790 . 1 . 1 80 80 VAL H H 1 7.306 0.000 . . . . . . A 76 VAL H . 34609 1 791 . 1 . 1 80 80 VAL HA H 1 4.249 0.000 . . . . . . A 76 VAL HA . 34609 1 792 . 1 . 1 80 80 VAL HB H 1 2.292 0.000 . . . . . . A 76 VAL HB . 34609 1 793 . 1 . 1 80 80 VAL HG11 H 1 0.985 0.000 . . . . . . A 76 VAL HG11 . 34609 1 794 . 1 . 1 80 80 VAL HG12 H 1 0.985 0.000 . . . . . . A 76 VAL HG12 . 34609 1 795 . 1 . 1 80 80 VAL HG13 H 1 0.985 0.000 . . . . . . A 76 VAL HG13 . 34609 1 796 . 1 . 1 80 80 VAL HG21 H 1 0.903 0.000 . . . . . . A 76 VAL HG21 . 34609 1 797 . 1 . 1 80 80 VAL HG22 H 1 0.903 0.000 . . . . . . A 76 VAL HG22 . 34609 1 798 . 1 . 1 80 80 VAL HG23 H 1 0.903 0.000 . . . . . . A 76 VAL HG23 . 34609 1 799 . 1 . 1 80 80 VAL C C 13 176.740 0.000 . . . . . . A 76 VAL C . 34609 1 800 . 1 . 1 80 80 VAL CA C 13 61.820 0.000 . . . . . . A 76 VAL CA . 34609 1 801 . 1 . 1 80 80 VAL CB C 13 32.050 0.000 . . . . . . A 76 VAL CB . 34609 1 802 . 1 . 1 80 80 VAL N N 15 112.330 0.000 . . . . . . A 76 VAL N . 34609 1 803 . 1 . 1 81 81 GLY H H 1 7.915 0.000 . . . . . . A 77 GLY H . 34609 1 804 . 1 . 1 81 81 GLY HA2 H 1 3.876 0.000 . . . . . . A 77 GLY HA2 . 34609 1 805 . 1 . 1 81 81 GLY HA3 H 1 3.663 0.000 . . . . . . A 77 GLY HA3 . 34609 1 806 . 1 . 1 81 81 GLY C C 13 173.970 0.000 . . . . . . A 77 GLY C . 34609 1 807 . 1 . 1 81 81 GLY CA C 13 45.960 0.000 . . . . . . A 77 GLY CA . 34609 1 808 . 1 . 1 81 81 GLY N N 15 110.670 0.000 . . . . . . A 77 GLY N . 34609 1 809 . 1 . 1 82 82 ARG H H 1 8.035 0.000 . . . . . . A 78 ARG H . 34609 1 810 . 1 . 1 82 82 ARG HA H 1 4.255 0.000 . . . . . . A 78 ARG HA . 34609 1 811 . 1 . 1 82 82 ARG HB2 H 1 1.709 0.000 . . . . . . A 78 ARG HB2 . 34609 1 812 . 1 . 1 82 82 ARG HB3 H 1 1.664 0.000 . . . . . . A 78 ARG HB3 . 34609 1 813 . 1 . 1 82 82 ARG HG2 H 1 1.536 0.000 . . . . . . A 78 ARG HG2 . 34609 1 814 . 1 . 1 82 82 ARG HG3 H 1 1.472 0.000 . . . . . . A 78 ARG HG3 . 34609 1 815 . 1 . 1 82 82 ARG HD2 H 1 3.109 0.000 . . . . . . A 78 ARG HD2 . 34609 1 816 . 1 . 1 82 82 ARG HD3 H 1 3.077 0.000 . . . . . . A 78 ARG HD3 . 34609 1 817 . 1 . 1 82 82 ARG C C 13 174.530 0.000 . . . . . . A 78 ARG C . 34609 1 818 . 1 . 1 82 82 ARG CA C 13 56.180 0.000 . . . . . . A 78 ARG CA . 34609 1 819 . 1 . 1 82 82 ARG CB C 13 30.590 0.000 . . . . . . A 78 ARG CB . 34609 1 820 . 1 . 1 82 82 ARG N N 15 121.260 0.000 . . . . . . A 78 ARG N . 34609 1 821 . 1 . 1 83 83 TYR H H 1 7.631 0.000 . . . . . . A 79 TYR H . 34609 1 822 . 1 . 1 83 83 TYR HA H 1 4.378 0.000 . . . . . . A 79 TYR HA . 34609 1 823 . 1 . 1 83 83 TYR HB2 H 1 3.074 0.000 . . . . . . A 79 TYR HB2 . 34609 1 824 . 1 . 1 83 83 TYR HB3 H 1 2.902 0.000 . . . . . . A 79 TYR HB3 . 34609 1 825 . 1 . 1 83 83 TYR HD1 H 1 7.000 0.000 . . . . . . A 79 TYR HD1 . 34609 1 826 . 1 . 1 83 83 TYR HD2 H 1 7.000 0.000 . . . . . . A 79 TYR HD2 . 34609 1 827 . 1 . 1 83 83 TYR HE1 H 1 6.840 0.000 . . . . . . A 79 TYR HE1 . 34609 1 828 . 1 . 1 83 83 TYR HE2 H 1 6.840 0.000 . . . . . . A 79 TYR HE2 . 34609 1 829 . 1 . 1 83 83 TYR C C 13 180.290 0.000 . . . . . . A 79 TYR C . 34609 1 830 . 1 . 1 83 83 TYR CA C 13 58.590 0.000 . . . . . . A 79 TYR CA . 34609 1 831 . 1 . 1 83 83 TYR CB C 13 39.570 0.000 . . . . . . A 79 TYR CB . 34609 1 832 . 1 . 1 83 83 TYR N N 15 125.940 0.000 . . . . . . A 79 TYR N . 34609 1 stop_ save_