data_11209 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11209 _Entry.Title ; Solution structure of the SH3 domain of Endophilin B1 (Sh3g1b1) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-07-22 _Entry.Accession_date 2010-07-23 _Entry.Last_release_date 2011-07-21 _Entry.Original_release_date 2011-07-21 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 X. Qin . . . 11209 2 F. Hayashi . . . 11209 3 S. Yokoyama . . . 11209 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11209 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11209 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 326 11209 '15N chemical shifts' 74 11209 '1H chemical shifts' 518 11209 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-07-21 2010-07-22 original author . 11209 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1X43 'BMRB Entry Tracking System' 11209 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11209 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the SH3 domain of Endophilin B1 (Sh3g1b1)' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 X. Qin . . . 11209 1 2 F. Hayashi . . . 11209 1 3 S. Yokoyama . . . 11209 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11209 _Assembly.ID 1 _Assembly.Name 'SH3 domain GRB2-like protein B1' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 E.C.2.3.1.- _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 'SH3 domain GRB2-like protein B1' 1 $entity_1 A . yes native no no . . . 11209 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1x43 . . . . . . 11209 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11209 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 domain' _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 ; GSSGSSGLNDLKESSNNRKA RVLYDYDAANSTELSLLADE VITVFSVVGMDSDWLMGERG NQKGKVPITYLELLNSGPSS G ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1X43 . "Solution Structure Of The Sh3 Domain Of Endophilin B1 (Sh3g1b1)" . . . . . 100.00 81 100.00 100.00 1.03e-48 . . . . 11209 1 2 no DBJ BAE34495 . "unnamed protein product [Mus musculus]" . . . . . 74.07 355 98.33 98.33 5.67e-31 . . . . 11209 1 3 no GB ABA54268 . "endophilin B1 testis variant [Mus musculus]" . . . . . 74.07 355 98.33 98.33 5.67e-31 . . . . 11209 1 4 no GB EDL12028 . "SH3-domain GRB2-like B1 (endophilin), isoform CRA_c, partial [Mus musculus]" . . . . . 74.07 332 98.33 98.33 4.71e-29 . . . . 11209 1 5 no REF NP_001268971 . "endophilin-B1 isoform 3 [Mus musculus]" . . . . . 74.07 355 98.33 98.33 5.67e-31 . . . . 11209 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11209 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11209 1 2 . SER . 11209 1 3 . SER . 11209 1 4 . GLY . 11209 1 5 . SER . 11209 1 6 . SER . 11209 1 7 . GLY . 11209 1 8 . LEU . 11209 1 9 . ASN . 11209 1 10 . ASP . 11209 1 11 . LEU . 11209 1 12 . LYS . 11209 1 13 . GLU . 11209 1 14 . SER . 11209 1 15 . SER . 11209 1 16 . ASN . 11209 1 17 . ASN . 11209 1 18 . ARG . 11209 1 19 . LYS . 11209 1 20 . ALA . 11209 1 21 . ARG . 11209 1 22 . VAL . 11209 1 23 . LEU . 11209 1 24 . TYR . 11209 1 25 . ASP . 11209 1 26 . TYR . 11209 1 27 . ASP . 11209 1 28 . ALA . 11209 1 29 . ALA . 11209 1 30 . ASN . 11209 1 31 . SER . 11209 1 32 . THR . 11209 1 33 . GLU . 11209 1 34 . LEU . 11209 1 35 . SER . 11209 1 36 . LEU . 11209 1 37 . LEU . 11209 1 38 . ALA . 11209 1 39 . ASP . 11209 1 40 . GLU . 11209 1 41 . VAL . 11209 1 42 . ILE . 11209 1 43 . THR . 11209 1 44 . VAL . 11209 1 45 . PHE . 11209 1 46 . SER . 11209 1 47 . VAL . 11209 1 48 . VAL . 11209 1 49 . GLY . 11209 1 50 . MET . 11209 1 51 . ASP . 11209 1 52 . SER . 11209 1 53 . ASP . 11209 1 54 . TRP . 11209 1 55 . LEU . 11209 1 56 . MET . 11209 1 57 . GLY . 11209 1 58 . GLU . 11209 1 59 . ARG . 11209 1 60 . GLY . 11209 1 61 . ASN . 11209 1 62 . GLN . 11209 1 63 . LYS . 11209 1 64 . GLY . 11209 1 65 . LYS . 11209 1 66 . VAL . 11209 1 67 . PRO . 11209 1 68 . ILE . 11209 1 69 . THR . 11209 1 70 . TYR . 11209 1 71 . LEU . 11209 1 72 . GLU . 11209 1 73 . LEU . 11209 1 74 . LEU . 11209 1 75 . ASN . 11209 1 76 . SER . 11209 1 77 . GLY . 11209 1 78 . PRO . 11209 1 79 . SER . 11209 1 80 . SER . 11209 1 81 . GLY . 11209 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 11209 1 . SER 2 2 11209 1 . SER 3 3 11209 1 . GLY 4 4 11209 1 . SER 5 5 11209 1 . SER 6 6 11209 1 . GLY 7 7 11209 1 . LEU 8 8 11209 1 . ASN 9 9 11209 1 . ASP 10 10 11209 1 . LEU 11 11 11209 1 . LYS 12 12 11209 1 . GLU 13 13 11209 1 . SER 14 14 11209 1 . SER 15 15 11209 1 . ASN 16 16 11209 1 . ASN 17 17 11209 1 . ARG 18 18 11209 1 . LYS 19 19 11209 1 . ALA 20 20 11209 1 . ARG 21 21 11209 1 . VAL 22 22 11209 1 . LEU 23 23 11209 1 . TYR 24 24 11209 1 . ASP 25 25 11209 1 . TYR 26 26 11209 1 . ASP 27 27 11209 1 . ALA 28 28 11209 1 . ALA 29 29 11209 1 . ASN 30 30 11209 1 . SER 31 31 11209 1 . THR 32 32 11209 1 . GLU 33 33 11209 1 . LEU 34 34 11209 1 . SER 35 35 11209 1 . LEU 36 36 11209 1 . LEU 37 37 11209 1 . ALA 38 38 11209 1 . ASP 39 39 11209 1 . GLU 40 40 11209 1 . VAL 41 41 11209 1 . ILE 42 42 11209 1 . THR 43 43 11209 1 . VAL 44 44 11209 1 . PHE 45 45 11209 1 . SER 46 46 11209 1 . VAL 47 47 11209 1 . VAL 48 48 11209 1 . GLY 49 49 11209 1 . MET 50 50 11209 1 . ASP 51 51 11209 1 . SER 52 52 11209 1 . ASP 53 53 11209 1 . TRP 54 54 11209 1 . LEU 55 55 11209 1 . MET 56 56 11209 1 . GLY 57 57 11209 1 . GLU 58 58 11209 1 . ARG 59 59 11209 1 . GLY 60 60 11209 1 . ASN 61 61 11209 1 . GLN 62 62 11209 1 . LYS 63 63 11209 1 . GLY 64 64 11209 1 . LYS 65 65 11209 1 . VAL 66 66 11209 1 . PRO 67 67 11209 1 . ILE 68 68 11209 1 . THR 69 69 11209 1 . TYR 70 70 11209 1 . LEU 71 71 11209 1 . GLU 72 72 11209 1 . LEU 73 73 11209 1 . LEU 74 74 11209 1 . ASN 75 75 11209 1 . SER 76 76 11209 1 . GLY 77 77 11209 1 . PRO 78 78 11209 1 . SER 79 79 11209 1 . SER 80 80 11209 1 . GLY 81 81 11209 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 11209 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11209 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 11209 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P041220-01 . . . . . . 11209 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11209 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.52mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.52 . . mM . . . . 11209 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11209 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11209 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11209 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11209 1 6 H2O . . . . . . solvent 90 . . % . . . . 11209 1 7 D2O . . . . . . solvent 10 . . % . . . . 11209 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11209 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 120 0.1 mM 11209 1 pH 7.0 0.05 pH 11209 1 pressure 1 0.001 atm 11209 1 temperature 298 0.1 K 11209 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 11209 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1C _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 11209 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11209 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11209 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID DelaglioF. . . 11209 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11209 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11209 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID JohnsonB.A. . . 11209 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11209 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11209 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9296 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID KobayashiN. . . 11209 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11209 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11209 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID GuntertP. . . 11209 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11209 5 'structure solution' 11209 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11209 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 11209 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 11209 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 11209 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11209 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11209 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11209 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11209 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11209 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11209 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_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11209 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 15N-separated NOESY' 1 $sample_1 isotropic 11209 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11209 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $VNMR . . 11209 1 2 $NMRPipe . . 11209 1 3 $NMRView . . 11209 1 4 $Kujira . . 11209 1 5 $CYANA . . 11209 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 6 6 SER HA H 1 4.496 0.030 . 1 . . . . 6 SER HA . 11209 1 2 . 1 1 6 6 SER HB2 H 1 3.929 0.030 . 1 . . . . 6 SER HB2 . 11209 1 3 . 1 1 6 6 SER HB3 H 1 3.929 0.030 . 1 . . . . 6 SER HB3 . 11209 1 4 . 1 1 6 6 SER C C 13 175.024 0.300 . 1 . . . . 6 SER C . 11209 1 5 . 1 1 6 6 SER CA C 13 58.743 0.300 . 1 . . . . 6 SER CA . 11209 1 6 . 1 1 6 6 SER CB C 13 64.003 0.300 . 1 . . . . 6 SER CB . 11209 1 7 . 1 1 7 7 GLY H H 1 8.456 0.030 . 1 . . . . 7 GLY H . 11209 1 8 . 1 1 7 7 GLY HA2 H 1 3.975 0.030 . 1 . . . . 7 GLY HA2 . 11209 1 9 . 1 1 7 7 GLY HA3 H 1 3.975 0.030 . 1 . . . . 7 GLY HA3 . 11209 1 10 . 1 1 7 7 GLY C C 13 174.326 0.300 . 1 . . . . 7 GLY C . 11209 1 11 . 1 1 7 7 GLY CA C 13 45.216 0.300 . 1 . . . . 7 GLY CA . 11209 1 12 . 1 1 7 7 GLY N N 15 110.845 0.300 . 1 . . . . 7 GLY N . 11209 1 13 . 1 1 8 8 LEU H H 1 8.111 0.030 . 1 . . . . 8 LEU H . 11209 1 14 . 1 1 8 8 LEU HA H 1 4.301 0.030 . 1 . . . . 8 LEU HA . 11209 1 15 . 1 1 8 8 LEU HB2 H 1 1.629 0.030 . 2 . . . . 8 LEU HB2 . 11209 1 16 . 1 1 8 8 LEU HB3 H 1 1.566 0.030 . 2 . . . . 8 LEU HB3 . 11209 1 17 . 1 1 8 8 LEU HD11 H 1 0.916 0.030 . 1 . . . . 8 LEU HD1 . 11209 1 18 . 1 1 8 8 LEU HD12 H 1 0.916 0.030 . 1 . . . . 8 LEU HD1 . 11209 1 19 . 1 1 8 8 LEU HD13 H 1 0.916 0.030 . 1 . . . . 8 LEU HD1 . 11209 1 20 . 1 1 8 8 LEU HD21 H 1 0.859 0.030 . 1 . . . . 8 LEU HD2 . 11209 1 21 . 1 1 8 8 LEU HD22 H 1 0.859 0.030 . 1 . . . . 8 LEU HD2 . 11209 1 22 . 1 1 8 8 LEU HD23 H 1 0.859 0.030 . 1 . . . . 8 LEU HD2 . 11209 1 23 . 1 1 8 8 LEU HG H 1 1.606 0.030 . 1 . . . . 8 LEU HG . 11209 1 24 . 1 1 8 8 LEU C C 13 177.440 0.300 . 1 . . . . 8 LEU C . 11209 1 25 . 1 1 8 8 LEU CA C 13 55.631 0.300 . 1 . . . . 8 LEU CA . 11209 1 26 . 1 1 8 8 LEU CB C 13 42.282 0.300 . 1 . . . . 8 LEU CB . 11209 1 27 . 1 1 8 8 LEU CD1 C 13 24.969 0.300 . 2 . . . . 8 LEU CD1 . 11209 1 28 . 1 1 8 8 LEU CD2 C 13 23.589 0.300 . 2 . . . . 8 LEU CD2 . 11209 1 29 . 1 1 8 8 LEU CG C 13 27.029 0.300 . 1 . . . . 8 LEU CG . 11209 1 30 . 1 1 8 8 LEU N N 15 121.391 0.300 . 1 . . . . 8 LEU N . 11209 1 31 . 1 1 9 9 ASN H H 1 8.427 0.030 . 1 . . . . 9 ASN H . 11209 1 32 . 1 1 9 9 ASN HA H 1 4.670 0.030 . 1 . . . . 9 ASN HA . 11209 1 33 . 1 1 9 9 ASN HB2 H 1 2.737 0.030 . 2 . . . . 9 ASN HB2 . 11209 1 34 . 1 1 9 9 ASN HB3 H 1 2.844 0.030 . 2 . . . . 9 ASN HB3 . 11209 1 35 . 1 1 9 9 ASN HD21 H 1 7.600 0.030 . 2 . . . . 9 ASN HD21 . 11209 1 36 . 1 1 9 9 ASN HD22 H 1 6.911 0.030 . 2 . . . . 9 ASN HD22 . 11209 1 37 . 1 1 9 9 ASN C C 13 174.904 0.300 . 1 . . . . 9 ASN C . 11209 1 38 . 1 1 9 9 ASN CA C 13 53.246 0.300 . 1 . . . . 9 ASN CA . 11209 1 39 . 1 1 9 9 ASN CB C 13 38.665 0.300 . 1 . . . . 9 ASN CB . 11209 1 40 . 1 1 9 9 ASN N N 15 118.500 0.300 . 1 . . . . 9 ASN N . 11209 1 41 . 1 1 9 9 ASN ND2 N 15 113.012 0.300 . 1 . . . . 9 ASN ND2 . 11209 1 42 . 1 1 10 10 ASP H H 1 8.174 0.030 . 1 . . . . 10 ASP H . 11209 1 43 . 1 1 10 10 ASP HA H 1 4.554 0.030 . 1 . . . . 10 ASP HA . 11209 1 44 . 1 1 10 10 ASP HB2 H 1 2.608 0.030 . 2 . . . . 10 ASP HB2 . 11209 1 45 . 1 1 10 10 ASP HB3 H 1 2.685 0.030 . 2 . . . . 10 ASP HB3 . 11209 1 46 . 1 1 10 10 ASP C C 13 176.287 0.300 . 1 . . . . 10 ASP C . 11209 1 47 . 1 1 10 10 ASP CA C 13 54.299 0.300 . 1 . . . . 10 ASP CA . 11209 1 48 . 1 1 10 10 ASP CB C 13 40.856 0.300 . 1 . . . . 10 ASP CB . 11209 1 49 . 1 1 10 10 ASP N N 15 120.358 0.300 . 1 . . . . 10 ASP N . 11209 1 50 . 1 1 11 11 LEU H H 1 8.113 0.030 . 1 . . . . 11 LEU H . 11209 1 51 . 1 1 11 11 LEU HA H 1 4.297 0.030 . 1 . . . . 11 LEU HA . 11209 1 52 . 1 1 11 11 LEU HB2 H 1 1.666 0.030 . 2 . . . . 11 LEU HB2 . 11209 1 53 . 1 1 11 11 LEU HB3 H 1 1.592 0.030 . 2 . . . . 11 LEU HB3 . 11209 1 54 . 1 1 11 11 LEU HD11 H 1 0.909 0.030 . 1 . . . . 11 LEU HD1 . 11209 1 55 . 1 1 11 11 LEU HD12 H 1 0.909 0.030 . 1 . . . . 11 LEU HD1 . 11209 1 56 . 1 1 11 11 LEU HD13 H 1 0.909 0.030 . 1 . . . . 11 LEU HD1 . 11209 1 57 . 1 1 11 11 LEU HD21 H 1 0.852 0.030 . 1 . . . . 11 LEU HD2 . 11209 1 58 . 1 1 11 11 LEU HD22 H 1 0.852 0.030 . 1 . . . . 11 LEU HD2 . 11209 1 59 . 1 1 11 11 LEU HD23 H 1 0.852 0.030 . 1 . . . . 11 LEU HD2 . 11209 1 60 . 1 1 11 11 LEU HG H 1 1.607 0.030 . 1 . . . . 11 LEU HG . 11209 1 61 . 1 1 11 11 LEU C C 13 177.549 0.300 . 1 . . . . 11 LEU C . 11209 1 62 . 1 1 11 11 LEU CA C 13 55.238 0.300 . 1 . . . . 11 LEU CA . 11209 1 63 . 1 1 11 11 LEU CB C 13 41.811 0.300 . 1 . . . . 11 LEU CB . 11209 1 64 . 1 1 11 11 LEU CD1 C 13 24.856 0.300 . 2 . . . . 11 LEU CD1 . 11209 1 65 . 1 1 11 11 LEU CD2 C 13 23.356 0.300 . 2 . . . . 11 LEU CD2 . 11209 1 66 . 1 1 11 11 LEU CG C 13 26.805 0.300 . 1 . . . . 11 LEU CG . 11209 1 67 . 1 1 11 11 LEU N N 15 122.144 0.300 . 1 . . . . 11 LEU N . 11209 1 68 . 1 1 12 12 LYS H H 1 8.249 0.030 . 1 . . . . 12 LYS H . 11209 1 69 . 1 1 12 12 LYS HA H 1 4.265 0.030 . 1 . . . . 12 LYS HA . 11209 1 70 . 1 1 12 12 LYS HB2 H 1 1.831 0.030 . 2 . . . . 12 LYS HB2 . 11209 1 71 . 1 1 12 12 LYS HB3 H 1 1.792 0.030 . 2 . . . . 12 LYS HB3 . 11209 1 72 . 1 1 12 12 LYS HD2 H 1 1.664 0.030 . 1 . . . . 12 LYS HD2 . 11209 1 73 . 1 1 12 12 LYS HD3 H 1 1.664 0.030 . 1 . . . . 12 LYS HD3 . 11209 1 74 . 1 1 12 12 LYS HE2 H 1 2.989 0.030 . 1 . . . . 12 LYS HE2 . 11209 1 75 . 1 1 12 12 LYS HE3 H 1 2.989 0.030 . 1 . . . . 12 LYS HE3 . 11209 1 76 . 1 1 12 12 LYS HG2 H 1 1.437 0.030 . 2 . . . . 12 LYS HG2 . 11209 1 77 . 1 1 12 12 LYS HG3 H 1 1.394 0.030 . 2 . . . . 12 LYS HG3 . 11209 1 78 . 1 1 12 12 LYS C C 13 176.883 0.300 . 1 . . . . 12 LYS C . 11209 1 79 . 1 1 12 12 LYS CA C 13 56.345 0.300 . 1 . . . . 12 LYS CA . 11209 1 80 . 1 1 12 12 LYS CB C 13 32.552 0.300 . 1 . . . . 12 LYS CB . 11209 1 81 . 1 1 12 12 LYS CD C 13 28.754 0.300 . 1 . . . . 12 LYS CD . 11209 1 82 . 1 1 12 12 LYS CE C 13 42.153 0.300 . 1 . . . . 12 LYS CE . 11209 1 83 . 1 1 12 12 LYS CG C 13 24.507 0.300 . 1 . . . . 12 LYS CG . 11209 1 84 . 1 1 12 12 LYS N N 15 121.618 0.300 . 1 . . . . 12 LYS N . 11209 1 85 . 1 1 13 13 GLU H H 1 8.382 0.030 . 1 . . . . 13 GLU H . 11209 1 86 . 1 1 13 13 GLU HA H 1 4.280 0.030 . 1 . . . . 13 GLU HA . 11209 1 87 . 1 1 13 13 GLU HB2 H 1 2.064 0.030 . 2 . . . . 13 GLU HB2 . 11209 1 88 . 1 1 13 13 GLU HB3 H 1 1.947 0.030 . 2 . . . . 13 GLU HB3 . 11209 1 89 . 1 1 13 13 GLU HG2 H 1 2.243 0.030 . 1 . . . . 13 GLU HG2 . 11209 1 90 . 1 1 13 13 GLU HG3 H 1 2.243 0.030 . 1 . . . . 13 GLU HG3 . 11209 1 91 . 1 1 13 13 GLU C C 13 176.718 0.300 . 1 . . . . 13 GLU C . 11209 1 92 . 1 1 13 13 GLU CA C 13 56.564 0.300 . 1 . . . . 13 GLU CA . 11209 1 93 . 1 1 13 13 GLU CB C 13 29.990 0.300 . 1 . . . . 13 GLU CB . 11209 1 94 . 1 1 13 13 GLU CG C 13 36.055 0.300 . 1 . . . . 13 GLU CG . 11209 1 95 . 1 1 13 13 GLU N N 15 121.399 0.300 . 1 . . . . 13 GLU N . 11209 1 96 . 1 1 14 14 SER H H 1 8.323 0.030 . 1 . . . . 14 SER H . 11209 1 97 . 1 1 14 14 SER HA H 1 4.472 0.030 . 1 . . . . 14 SER HA . 11209 1 98 . 1 1 14 14 SER HB2 H 1 3.829 0.030 . 2 . . . . 14 SER HB2 . 11209 1 99 . 1 1 14 14 SER HB3 H 1 3.921 0.030 . 2 . . . . 14 SER HB3 . 11209 1 100 . 1 1 14 14 SER C C 13 174.720 0.300 . 1 . . . . 14 SER C . 11209 1 101 . 1 1 14 14 SER CA C 13 58.128 0.300 . 1 . . . . 14 SER CA . 11209 1 102 . 1 1 14 14 SER CB C 13 63.681 0.300 . 1 . . . . 14 SER CB . 11209 1 103 . 1 1 14 14 SER N N 15 116.577 0.300 . 1 . . . . 14 SER N . 11209 1 104 . 1 1 15 15 SER H H 1 8.332 0.030 . 1 . . . . 15 SER H . 11209 1 105 . 1 1 15 15 SER HA H 1 4.519 0.030 . 1 . . . . 15 SER HA . 11209 1 106 . 1 1 15 15 SER HB2 H 1 3.919 0.030 . 1 . . . . 15 SER HB2 . 11209 1 107 . 1 1 15 15 SER HB3 H 1 3.919 0.030 . 1 . . . . 15 SER HB3 . 11209 1 108 . 1 1 15 15 SER C C 13 174.200 0.300 . 1 . . . . 15 SER C . 11209 1 109 . 1 1 15 15 SER CA C 13 58.132 0.300 . 1 . . . . 15 SER CA . 11209 1 110 . 1 1 15 15 SER CB C 13 63.663 0.300 . 1 . . . . 15 SER CB . 11209 1 111 . 1 1 16 16 ASN HA H 1 4.787 0.030 . 1 . . . . 16 ASN HA . 11209 1 112 . 1 1 16 16 ASN HB2 H 1 2.876 0.030 . 2 . . . . 16 ASN HB2 . 11209 1 113 . 1 1 16 16 ASN HB3 H 1 2.764 0.030 . 2 . . . . 16 ASN HB3 . 11209 1 114 . 1 1 16 16 ASN HD21 H 1 7.592 0.030 . 2 . . . . 16 ASN HD21 . 11209 1 115 . 1 1 16 16 ASN HD22 H 1 6.944 0.030 . 2 . . . . 16 ASN HD22 . 11209 1 116 . 1 1 16 16 ASN C C 13 174.555 0.300 . 1 . . . . 16 ASN C . 11209 1 117 . 1 1 16 16 ASN CA C 13 53.234 0.300 . 1 . . . . 16 ASN CA . 11209 1 118 . 1 1 16 16 ASN CB C 13 39.030 0.300 . 1 . . . . 16 ASN CB . 11209 1 119 . 1 1 16 16 ASN ND2 N 15 112.791 0.300 . 1 . . . . 16 ASN ND2 . 11209 1 120 . 1 1 17 17 ASN H H 1 8.204 0.030 . 1 . . . . 17 ASN H . 11209 1 121 . 1 1 17 17 ASN HA H 1 4.892 0.030 . 1 . . . . 17 ASN HA . 11209 1 122 . 1 1 17 17 ASN HB2 H 1 2.750 0.030 . 2 . . . . 17 ASN HB2 . 11209 1 123 . 1 1 17 17 ASN HB3 H 1 2.699 0.030 . 2 . . . . 17 ASN HB3 . 11209 1 124 . 1 1 17 17 ASN HD21 H 1 7.451 0.030 . 2 . . . . 17 ASN HD21 . 11209 1 125 . 1 1 17 17 ASN HD22 H 1 6.755 0.030 . 2 . . . . 17 ASN HD22 . 11209 1 126 . 1 1 17 17 ASN C C 13 174.746 0.300 . 1 . . . . 17 ASN C . 11209 1 127 . 1 1 17 17 ASN CA C 13 53.072 0.300 . 1 . . . . 17 ASN CA . 11209 1 128 . 1 1 17 17 ASN CB C 13 39.072 0.300 . 1 . . . . 17 ASN CB . 11209 1 129 . 1 1 17 17 ASN N N 15 118.998 0.300 . 1 . . . . 17 ASN N . 11209 1 130 . 1 1 17 17 ASN ND2 N 15 112.333 0.300 . 1 . . . . 17 ASN ND2 . 11209 1 131 . 1 1 18 18 ARG H H 1 8.826 0.030 . 1 . . . . 18 ARG H . 11209 1 132 . 1 1 18 18 ARG HA H 1 4.592 0.030 . 1 . . . . 18 ARG HA . 11209 1 133 . 1 1 18 18 ARG HB2 H 1 1.969 0.030 . 2 . . . . 18 ARG HB2 . 11209 1 134 . 1 1 18 18 ARG HB3 H 1 1.786 0.030 . 2 . . . . 18 ARG HB3 . 11209 1 135 . 1 1 18 18 ARG HD2 H 1 3.232 0.030 . 1 . . . . 18 ARG HD2 . 11209 1 136 . 1 1 18 18 ARG HD3 H 1 3.232 0.030 . 1 . . . . 18 ARG HD3 . 11209 1 137 . 1 1 18 18 ARG HG2 H 1 1.723 0.030 . 1 . . . . 18 ARG HG2 . 11209 1 138 . 1 1 18 18 ARG HG3 H 1 1.723 0.030 . 1 . . . . 18 ARG HG3 . 11209 1 139 . 1 1 18 18 ARG C C 13 174.853 0.300 . 1 . . . . 18 ARG C . 11209 1 140 . 1 1 18 18 ARG CA C 13 54.804 0.300 . 1 . . . . 18 ARG CA . 11209 1 141 . 1 1 18 18 ARG CB C 13 32.388 0.300 . 1 . . . . 18 ARG CB . 11209 1 142 . 1 1 18 18 ARG CD C 13 43.322 0.300 . 1 . . . . 18 ARG CD . 11209 1 143 . 1 1 18 18 ARG CG C 13 26.433 0.300 . 1 . . . . 18 ARG CG . 11209 1 144 . 1 1 18 18 ARG N N 15 121.690 0.300 . 1 . . . . 18 ARG N . 11209 1 145 . 1 1 19 19 LYS H H 1 8.461 0.030 . 1 . . . . 19 LYS H . 11209 1 146 . 1 1 19 19 LYS HA H 1 5.279 0.030 . 1 . . . . 19 LYS HA . 11209 1 147 . 1 1 19 19 LYS HB2 H 1 1.772 0.030 . 2 . . . . 19 LYS HB2 . 11209 1 148 . 1 1 19 19 LYS HB3 H 1 1.593 0.030 . 2 . . . . 19 LYS HB3 . 11209 1 149 . 1 1 19 19 LYS HD2 H 1 1.618 0.030 . 2 . . . . 19 LYS HD2 . 11209 1 150 . 1 1 19 19 LYS HD3 H 1 1.502 0.030 . 2 . . . . 19 LYS HD3 . 11209 1 151 . 1 1 19 19 LYS HE2 H 1 2.902 0.030 . 1 . . . . 19 LYS HE2 . 11209 1 152 . 1 1 19 19 LYS HE3 H 1 2.902 0.030 . 1 . . . . 19 LYS HE3 . 11209 1 153 . 1 1 19 19 LYS HG2 H 1 1.494 0.030 . 2 . . . . 19 LYS HG2 . 11209 1 154 . 1 1 19 19 LYS HG3 H 1 1.407 0.030 . 2 . . . . 19 LYS HG3 . 11209 1 155 . 1 1 19 19 LYS C C 13 175.763 0.300 . 1 . . . . 19 LYS C . 11209 1 156 . 1 1 19 19 LYS CA C 13 54.072 0.300 . 1 . . . . 19 LYS CA . 11209 1 157 . 1 1 19 19 LYS CB C 13 35.038 0.300 . 1 . . . . 19 LYS CB . 11209 1 158 . 1 1 19 19 LYS CD C 13 28.589 0.300 . 1 . . . . 19 LYS CD . 11209 1 159 . 1 1 19 19 LYS CE C 13 42.047 0.300 . 1 . . . . 19 LYS CE . 11209 1 160 . 1 1 19 19 LYS CG C 13 24.865 0.300 . 1 . . . . 19 LYS CG . 11209 1 161 . 1 1 19 19 LYS N N 15 119.746 0.300 . 1 . . . . 19 LYS N . 11209 1 162 . 1 1 20 20 ALA H H 1 9.048 0.030 . 1 . . . . 20 ALA H . 11209 1 163 . 1 1 20 20 ALA HA H 1 5.090 0.030 . 1 . . . . 20 ALA HA . 11209 1 164 . 1 1 20 20 ALA HB1 H 1 1.110 0.030 . 1 . . . . 20 ALA HB . 11209 1 165 . 1 1 20 20 ALA HB2 H 1 1.110 0.030 . 1 . . . . 20 ALA HB . 11209 1 166 . 1 1 20 20 ALA HB3 H 1 1.110 0.030 . 1 . . . . 20 ALA HB . 11209 1 167 . 1 1 20 20 ALA C C 13 174.321 0.300 . 1 . . . . 20 ALA C . 11209 1 168 . 1 1 20 20 ALA CA C 13 50.299 0.300 . 1 . . . . 20 ALA CA . 11209 1 169 . 1 1 20 20 ALA CB C 13 24.632 0.300 . 1 . . . . 20 ALA CB . 11209 1 170 . 1 1 20 20 ALA N N 15 121.614 0.300 . 1 . . . . 20 ALA N . 11209 1 171 . 1 1 21 21 ARG H H 1 8.980 0.030 . 1 . . . . 21 ARG H . 11209 1 172 . 1 1 21 21 ARG HA H 1 5.077 0.030 . 1 . . . . 21 ARG HA . 11209 1 173 . 1 1 21 21 ARG HB2 H 1 1.822 0.030 . 2 . . . . 21 ARG HB2 . 11209 1 174 . 1 1 21 21 ARG HB3 H 1 1.654 0.030 . 2 . . . . 21 ARG HB3 . 11209 1 175 . 1 1 21 21 ARG HD2 H 1 3.257 0.030 . 2 . . . . 21 ARG HD2 . 11209 1 176 . 1 1 21 21 ARG HD3 H 1 3.100 0.030 . 2 . . . . 21 ARG HD3 . 11209 1 177 . 1 1 21 21 ARG HE H 1 7.181 0.030 . 1 . . . . 21 ARG HE . 11209 1 178 . 1 1 21 21 ARG HG2 H 1 1.391 0.030 . 1 . . . . 21 ARG HG2 . 11209 1 179 . 1 1 21 21 ARG HG3 H 1 1.391 0.030 . 1 . . . . 21 ARG HG3 . 11209 1 180 . 1 1 21 21 ARG C C 13 175.262 0.300 . 1 . . . . 21 ARG C . 11209 1 181 . 1 1 21 21 ARG CA C 13 53.797 0.300 . 1 . . . . 21 ARG CA . 11209 1 182 . 1 1 21 21 ARG CB C 13 32.890 0.300 . 1 . . . . 21 ARG CB . 11209 1 183 . 1 1 21 21 ARG CD C 13 42.967 0.300 . 1 . . . . 21 ARG CD . 11209 1 184 . 1 1 21 21 ARG CG C 13 27.731 0.300 . 1 . . . . 21 ARG CG . 11209 1 185 . 1 1 21 21 ARG N N 15 122.213 0.300 . 1 . . . . 21 ARG N . 11209 1 186 . 1 1 21 21 ARG NE N 15 82.768 0.300 . 1 . . . . 21 ARG NE . 11209 1 187 . 1 1 22 22 VAL H H 1 8.963 0.030 . 1 . . . . 22 VAL H . 11209 1 188 . 1 1 22 22 VAL HA H 1 4.128 0.030 . 1 . . . . 22 VAL HA . 11209 1 189 . 1 1 22 22 VAL HB H 1 2.264 0.030 . 1 . . . . 22 VAL HB . 11209 1 190 . 1 1 22 22 VAL HG11 H 1 0.931 0.030 . 1 . . . . 22 VAL HG1 . 11209 1 191 . 1 1 22 22 VAL HG12 H 1 0.931 0.030 . 1 . . . . 22 VAL HG1 . 11209 1 192 . 1 1 22 22 VAL HG13 H 1 0.931 0.030 . 1 . . . . 22 VAL HG1 . 11209 1 193 . 1 1 22 22 VAL HG21 H 1 0.973 0.030 . 1 . . . . 22 VAL HG2 . 11209 1 194 . 1 1 22 22 VAL HG22 H 1 0.973 0.030 . 1 . . . . 22 VAL HG2 . 11209 1 195 . 1 1 22 22 VAL HG23 H 1 0.973 0.030 . 1 . . . . 22 VAL HG2 . 11209 1 196 . 1 1 22 22 VAL C C 13 177.794 0.300 . 1 . . . . 22 VAL C . 11209 1 197 . 1 1 22 22 VAL CA C 13 62.646 0.300 . 1 . . . . 22 VAL CA . 11209 1 198 . 1 1 22 22 VAL CB C 13 31.771 0.300 . 1 . . . . 22 VAL CB . 11209 1 199 . 1 1 22 22 VAL CG1 C 13 24.316 0.300 . 2 . . . . 22 VAL CG1 . 11209 1 200 . 1 1 22 22 VAL CG2 C 13 22.865 0.300 . 2 . . . . 22 VAL CG2 . 11209 1 201 . 1 1 22 22 VAL N N 15 127.286 0.300 . 1 . . . . 22 VAL N . 11209 1 202 . 1 1 23 23 LEU H H 1 9.218 0.030 . 1 . . . . 23 LEU H . 11209 1 203 . 1 1 23 23 LEU HA H 1 3.884 0.030 . 1 . . . . 23 LEU HA . 11209 1 204 . 1 1 23 23 LEU HB2 H 1 0.792 0.030 . 2 . . . . 23 LEU HB2 . 11209 1 205 . 1 1 23 23 LEU HB3 H 1 0.313 0.030 . 2 . . . . 23 LEU HB3 . 11209 1 206 . 1 1 23 23 LEU HD11 H 1 0.581 0.030 . 1 . . . . 23 LEU HD1 . 11209 1 207 . 1 1 23 23 LEU HD12 H 1 0.581 0.030 . 1 . . . . 23 LEU HD1 . 11209 1 208 . 1 1 23 23 LEU HD13 H 1 0.581 0.030 . 1 . . . . 23 LEU HD1 . 11209 1 209 . 1 1 23 23 LEU HD21 H 1 0.573 0.030 . 1 . . . . 23 LEU HD2 . 11209 1 210 . 1 1 23 23 LEU HD22 H 1 0.573 0.030 . 1 . . . . 23 LEU HD2 . 11209 1 211 . 1 1 23 23 LEU HD23 H 1 0.573 0.030 . 1 . . . . 23 LEU HD2 . 11209 1 212 . 1 1 23 23 LEU HG H 1 1.223 0.030 . 1 . . . . 23 LEU HG . 11209 1 213 . 1 1 23 23 LEU C C 13 176.208 0.300 . 1 . . . . 23 LEU C . 11209 1 214 . 1 1 23 23 LEU CA C 13 56.396 0.300 . 1 . . . . 23 LEU CA . 11209 1 215 . 1 1 23 23 LEU CB C 13 42.947 0.300 . 1 . . . . 23 LEU CB . 11209 1 216 . 1 1 23 23 LEU CD1 C 13 25.157 0.300 . 2 . . . . 23 LEU CD1 . 11209 1 217 . 1 1 23 23 LEU CD2 C 13 21.882 0.300 . 2 . . . . 23 LEU CD2 . 11209 1 218 . 1 1 23 23 LEU CG C 13 26.399 0.300 . 1 . . . . 23 LEU CG . 11209 1 219 . 1 1 23 23 LEU N N 15 128.983 0.300 . 1 . . . . 23 LEU N . 11209 1 220 . 1 1 24 24 TYR H H 1 6.815 0.030 . 1 . . . . 24 TYR H . 11209 1 221 . 1 1 24 24 TYR HA H 1 4.858 0.030 . 1 . . . . 24 TYR HA . 11209 1 222 . 1 1 24 24 TYR HB2 H 1 3.301 0.030 . 2 . . . . 24 TYR HB2 . 11209 1 223 . 1 1 24 24 TYR HB3 H 1 2.657 0.030 . 2 . . . . 24 TYR HB3 . 11209 1 224 . 1 1 24 24 TYR HD1 H 1 6.674 0.030 . 1 . . . . 24 TYR HD1 . 11209 1 225 . 1 1 24 24 TYR HD2 H 1 6.674 0.030 . 1 . . . . 24 TYR HD2 . 11209 1 226 . 1 1 24 24 TYR HE1 H 1 6.605 0.030 . 1 . . . . 24 TYR HE1 . 11209 1 227 . 1 1 24 24 TYR HE2 H 1 6.605 0.030 . 1 . . . . 24 TYR HE2 . 11209 1 228 . 1 1 24 24 TYR C C 13 172.570 0.300 . 1 . . . . 24 TYR C . 11209 1 229 . 1 1 24 24 TYR CA C 13 53.620 0.300 . 1 . . . . 24 TYR CA . 11209 1 230 . 1 1 24 24 TYR CB C 13 41.521 0.300 . 1 . . . . 24 TYR CB . 11209 1 231 . 1 1 24 24 TYR CD1 C 13 133.278 0.300 . 1 . . . . 24 TYR CD1 . 11209 1 232 . 1 1 24 24 TYR CD2 C 13 133.278 0.300 . 1 . . . . 24 TYR CD2 . 11209 1 233 . 1 1 24 24 TYR CE1 C 13 117.141 0.300 . 1 . . . . 24 TYR CE1 . 11209 1 234 . 1 1 24 24 TYR CE2 C 13 117.141 0.300 . 1 . . . . 24 TYR CE2 . 11209 1 235 . 1 1 24 24 TYR N N 15 113.611 0.300 . 1 . . . . 24 TYR N . 11209 1 236 . 1 1 25 25 ASP H H 1 8.380 0.030 . 1 . . . . 25 ASP H . 11209 1 237 . 1 1 25 25 ASP HA H 1 4.464 0.030 . 1 . . . . 25 ASP HA . 11209 1 238 . 1 1 25 25 ASP HB2 H 1 2.787 0.030 . 2 . . . . 25 ASP HB2 . 11209 1 239 . 1 1 25 25 ASP HB3 H 1 2.559 0.030 . 2 . . . . 25 ASP HB3 . 11209 1 240 . 1 1 25 25 ASP C C 13 175.952 0.300 . 1 . . . . 25 ASP C . 11209 1 241 . 1 1 25 25 ASP CA C 13 54.956 0.300 . 1 . . . . 25 ASP CA . 11209 1 242 . 1 1 25 25 ASP CB C 13 40.922 0.300 . 1 . . . . 25 ASP CB . 11209 1 243 . 1 1 25 25 ASP N N 15 118.472 0.300 . 1 . . . . 25 ASP N . 11209 1 244 . 1 1 26 26 TYR H H 1 8.715 0.030 . 1 . . . . 26 TYR H . 11209 1 245 . 1 1 26 26 TYR HA H 1 4.678 0.030 . 1 . . . . 26 TYR HA . 11209 1 246 . 1 1 26 26 TYR HB2 H 1 2.799 0.030 . 2 . . . . 26 TYR HB2 . 11209 1 247 . 1 1 26 26 TYR HB3 H 1 2.415 0.030 . 2 . . . . 26 TYR HB3 . 11209 1 248 . 1 1 26 26 TYR HD1 H 1 6.838 0.030 . 1 . . . . 26 TYR HD1 . 11209 1 249 . 1 1 26 26 TYR HD2 H 1 6.838 0.030 . 1 . . . . 26 TYR HD2 . 11209 1 250 . 1 1 26 26 TYR HE1 H 1 6.779 0.030 . 1 . . . . 26 TYR HE1 . 11209 1 251 . 1 1 26 26 TYR HE2 H 1 6.779 0.030 . 1 . . . . 26 TYR HE2 . 11209 1 252 . 1 1 26 26 TYR C C 13 173.944 0.300 . 1 . . . . 26 TYR C . 11209 1 253 . 1 1 26 26 TYR CA C 13 57.655 0.300 . 1 . . . . 26 TYR CA . 11209 1 254 . 1 1 26 26 TYR CB C 13 42.390 0.300 . 1 . . . . 26 TYR CB . 11209 1 255 . 1 1 26 26 TYR CD1 C 13 131.843 0.300 . 1 . . . . 26 TYR CD1 . 11209 1 256 . 1 1 26 26 TYR CD2 C 13 131.843 0.300 . 1 . . . . 26 TYR CD2 . 11209 1 257 . 1 1 26 26 TYR CE1 C 13 117.096 0.300 . 1 . . . . 26 TYR CE1 . 11209 1 258 . 1 1 26 26 TYR CE2 C 13 117.096 0.300 . 1 . . . . 26 TYR CE2 . 11209 1 259 . 1 1 26 26 TYR N N 15 120.392 0.300 . 1 . . . . 26 TYR N . 11209 1 260 . 1 1 27 27 ASP H H 1 7.811 0.030 . 1 . . . . 27 ASP H . 11209 1 261 . 1 1 27 27 ASP HA H 1 4.717 0.030 . 1 . . . . 27 ASP HA . 11209 1 262 . 1 1 27 27 ASP HB2 H 1 2.312 0.030 . 2 . . . . 27 ASP HB2 . 11209 1 263 . 1 1 27 27 ASP HB3 H 1 2.231 0.030 . 2 . . . . 27 ASP HB3 . 11209 1 264 . 1 1 27 27 ASP C C 13 172.953 0.300 . 1 . . . . 27 ASP C . 11209 1 265 . 1 1 27 27 ASP CA C 13 52.128 0.300 . 1 . . . . 27 ASP CA . 11209 1 266 . 1 1 27 27 ASP CB C 13 41.123 0.300 . 1 . . . . 27 ASP CB . 11209 1 267 . 1 1 27 27 ASP N N 15 128.776 0.300 . 1 . . . . 27 ASP N . 11209 1 268 . 1 1 28 28 ALA H H 1 8.102 0.030 . 1 . . . . 28 ALA H . 11209 1 269 . 1 1 28 28 ALA HA H 1 4.008 0.030 . 1 . . . . 28 ALA HA . 11209 1 270 . 1 1 28 28 ALA HB1 H 1 1.287 0.030 . 1 . . . . 28 ALA HB . 11209 1 271 . 1 1 28 28 ALA HB2 H 1 1.287 0.030 . 1 . . . . 28 ALA HB . 11209 1 272 . 1 1 28 28 ALA HB3 H 1 1.287 0.030 . 1 . . . . 28 ALA HB . 11209 1 273 . 1 1 28 28 ALA C C 13 178.977 0.300 . 1 . . . . 28 ALA C . 11209 1 274 . 1 1 28 28 ALA CA C 13 52.422 0.300 . 1 . . . . 28 ALA CA . 11209 1 275 . 1 1 28 28 ALA CB C 13 20.015 0.300 . 1 . . . . 28 ALA CB . 11209 1 276 . 1 1 28 28 ALA N N 15 125.714 0.300 . 1 . . . . 28 ALA N . 11209 1 277 . 1 1 29 29 ALA H H 1 8.990 0.030 . 1 . . . . 29 ALA H . 11209 1 278 . 1 1 29 29 ALA HA H 1 4.125 0.030 . 1 . . . . 29 ALA HA . 11209 1 279 . 1 1 29 29 ALA HB1 H 1 1.482 0.030 . 1 . . . . 29 ALA HB . 11209 1 280 . 1 1 29 29 ALA HB2 H 1 1.482 0.030 . 1 . . . . 29 ALA HB . 11209 1 281 . 1 1 29 29 ALA HB3 H 1 1.482 0.030 . 1 . . . . 29 ALA HB . 11209 1 282 . 1 1 29 29 ALA C C 13 177.699 0.300 . 1 . . . . 29 ALA C . 11209 1 283 . 1 1 29 29 ALA CA C 13 52.831 0.300 . 1 . . . . 29 ALA CA . 11209 1 284 . 1 1 29 29 ALA CB C 13 19.899 0.300 . 1 . . . . 29 ALA CB . 11209 1 285 . 1 1 29 29 ALA N N 15 125.863 0.300 . 1 . . . . 29 ALA N . 11209 1 286 . 1 1 30 30 ASN H H 1 7.361 0.030 . 1 . . . . 30 ASN H . 11209 1 287 . 1 1 30 30 ASN HA H 1 4.629 0.030 . 1 . . . . 30 ASN HA . 11209 1 288 . 1 1 30 30 ASN HB2 H 1 3.084 0.030 . 2 . . . . 30 ASN HB2 . 11209 1 289 . 1 1 30 30 ASN HB3 H 1 2.981 0.030 . 2 . . . . 30 ASN HB3 . 11209 1 290 . 1 1 30 30 ASN HD21 H 1 7.117 0.030 . 2 . . . . 30 ASN HD21 . 11209 1 291 . 1 1 30 30 ASN HD22 H 1 7.803 0.030 . 2 . . . . 30 ASN HD22 . 11209 1 292 . 1 1 30 30 ASN C C 13 175.695 0.300 . 1 . . . . 30 ASN C . 11209 1 293 . 1 1 30 30 ASN CA C 13 51.754 0.300 . 1 . . . . 30 ASN CA . 11209 1 294 . 1 1 30 30 ASN CB C 13 39.478 0.300 . 1 . . . . 30 ASN CB . 11209 1 295 . 1 1 30 30 ASN N N 15 108.115 0.300 . 1 . . . . 30 ASN N . 11209 1 296 . 1 1 30 30 ASN ND2 N 15 118.520 0.300 . 1 . . . . 30 ASN ND2 . 11209 1 297 . 1 1 31 31 SER HA H 1 4.412 0.030 . 1 . . . . 31 SER HA . 11209 1 298 . 1 1 31 31 SER HB2 H 1 4.135 0.030 . 2 . . . . 31 SER HB2 . 11209 1 299 . 1 1 31 31 SER HB3 H 1 3.960 0.030 . 2 . . . . 31 SER HB3 . 11209 1 300 . 1 1 31 31 SER C C 13 174.950 0.300 . 1 . . . . 31 SER C . 11209 1 301 . 1 1 31 31 SER CA C 13 60.564 0.300 . 1 . . . . 31 SER CA . 11209 1 302 . 1 1 31 31 SER CB C 13 62.991 0.300 . 1 . . . . 31 SER CB . 11209 1 303 . 1 1 32 32 THR H H 1 8.699 0.030 . 1 . . . . 32 THR H . 11209 1 304 . 1 1 32 32 THR HA H 1 4.502 0.030 . 1 . . . . 32 THR HA . 11209 1 305 . 1 1 32 32 THR HB H 1 4.296 0.030 . 1 . . . . 32 THR HB . 11209 1 306 . 1 1 32 32 THR HG21 H 1 1.171 0.030 . 1 . . . . 32 THR HG2 . 11209 1 307 . 1 1 32 32 THR HG22 H 1 1.171 0.030 . 1 . . . . 32 THR HG2 . 11209 1 308 . 1 1 32 32 THR HG23 H 1 1.171 0.030 . 1 . . . . 32 THR HG2 . 11209 1 309 . 1 1 32 32 THR C C 13 174.764 0.300 . 1 . . . . 32 THR C . 11209 1 310 . 1 1 32 32 THR CA C 13 62.405 0.300 . 1 . . . . 32 THR CA . 11209 1 311 . 1 1 32 32 THR CB C 13 69.064 0.300 . 1 . . . . 32 THR CB . 11209 1 312 . 1 1 32 32 THR CG2 C 13 21.524 0.300 . 1 . . . . 32 THR CG2 . 11209 1 313 . 1 1 32 32 THR N N 15 112.266 0.300 . 1 . . . . 32 THR N . 11209 1 314 . 1 1 33 33 GLU H H 1 7.606 0.030 . 1 . . . . 33 GLU H . 11209 1 315 . 1 1 33 33 GLU HA H 1 5.122 0.030 . 1 . . . . 33 GLU HA . 11209 1 316 . 1 1 33 33 GLU HB2 H 1 2.466 0.030 . 2 . . . . 33 GLU HB2 . 11209 1 317 . 1 1 33 33 GLU HB3 H 1 2.047 0.030 . 2 . . . . 33 GLU HB3 . 11209 1 318 . 1 1 33 33 GLU HG2 H 1 2.148 0.030 . 2 . . . . 33 GLU HG2 . 11209 1 319 . 1 1 33 33 GLU HG3 H 1 1.935 0.030 . 2 . . . . 33 GLU HG3 . 11209 1 320 . 1 1 33 33 GLU C C 13 174.971 0.300 . 1 . . . . 33 GLU C . 11209 1 321 . 1 1 33 33 GLU CA C 13 54.405 0.300 . 1 . . . . 33 GLU CA . 11209 1 322 . 1 1 33 33 GLU CB C 13 33.214 0.300 . 1 . . . . 33 GLU CB . 11209 1 323 . 1 1 33 33 GLU CG C 13 35.896 0.300 . 1 . . . . 33 GLU CG . 11209 1 324 . 1 1 33 33 GLU N N 15 122.659 0.300 . 1 . . . . 33 GLU N . 11209 1 325 . 1 1 34 34 LEU H H 1 7.980 0.030 . 1 . . . . 34 LEU H . 11209 1 326 . 1 1 34 34 LEU HA H 1 4.558 0.030 . 1 . . . . 34 LEU HA . 11209 1 327 . 1 1 34 34 LEU HB2 H 1 1.507 0.030 . 2 . . . . 34 LEU HB2 . 11209 1 328 . 1 1 34 34 LEU HB3 H 1 1.026 0.030 . 2 . . . . 34 LEU HB3 . 11209 1 329 . 1 1 34 34 LEU HD11 H 1 0.666 0.030 . 1 . . . . 34 LEU HD1 . 11209 1 330 . 1 1 34 34 LEU HD12 H 1 0.666 0.030 . 1 . . . . 34 LEU HD1 . 11209 1 331 . 1 1 34 34 LEU HD13 H 1 0.666 0.030 . 1 . . . . 34 LEU HD1 . 11209 1 332 . 1 1 34 34 LEU HD21 H 1 0.597 0.030 . 1 . . . . 34 LEU HD2 . 11209 1 333 . 1 1 34 34 LEU HD22 H 1 0.597 0.030 . 1 . . . . 34 LEU HD2 . 11209 1 334 . 1 1 34 34 LEU HD23 H 1 0.597 0.030 . 1 . . . . 34 LEU HD2 . 11209 1 335 . 1 1 34 34 LEU HG H 1 1.398 0.030 . 1 . . . . 34 LEU HG . 11209 1 336 . 1 1 34 34 LEU C C 13 176.036 0.300 . 1 . . . . 34 LEU C . 11209 1 337 . 1 1 34 34 LEU CA C 13 53.314 0.300 . 1 . . . . 34 LEU CA . 11209 1 338 . 1 1 34 34 LEU CB C 13 44.089 0.300 . 1 . . . . 34 LEU CB . 11209 1 339 . 1 1 34 34 LEU CD1 C 13 24.564 0.300 . 2 . . . . 34 LEU CD1 . 11209 1 340 . 1 1 34 34 LEU CD2 C 13 23.575 0.300 . 2 . . . . 34 LEU CD2 . 11209 1 341 . 1 1 34 34 LEU CG C 13 25.905 0.300 . 1 . . . . 34 LEU CG . 11209 1 342 . 1 1 34 34 LEU N N 15 121.041 0.300 . 1 . . . . 34 LEU N . 11209 1 343 . 1 1 35 35 SER H H 1 7.975 0.030 . 1 . . . . 35 SER H . 11209 1 344 . 1 1 35 35 SER HA H 1 4.898 0.030 . 1 . . . . 35 SER HA . 11209 1 345 . 1 1 35 35 SER HB2 H 1 4.190 0.030 . 2 . . . . 35 SER HB2 . 11209 1 346 . 1 1 35 35 SER HB3 H 1 3.812 0.030 . 2 . . . . 35 SER HB3 . 11209 1 347 . 1 1 35 35 SER C C 13 173.883 0.300 . 1 . . . . 35 SER C . 11209 1 348 . 1 1 35 35 SER CA C 13 58.922 0.300 . 1 . . . . 35 SER CA . 11209 1 349 . 1 1 35 35 SER CB C 13 63.538 0.300 . 1 . . . . 35 SER CB . 11209 1 350 . 1 1 35 35 SER N N 15 116.690 0.300 . 1 . . . . 35 SER N . 11209 1 351 . 1 1 36 36 LEU H H 1 9.565 0.030 . 1 . . . . 36 LEU H . 11209 1 352 . 1 1 36 36 LEU HA H 1 4.827 0.030 . 1 . . . . 36 LEU HA . 11209 1 353 . 1 1 36 36 LEU HB2 H 1 1.806 0.030 . 1 . . . . 36 LEU HB2 . 11209 1 354 . 1 1 36 36 LEU HB3 H 1 1.806 0.030 . 1 . . . . 36 LEU HB3 . 11209 1 355 . 1 1 36 36 LEU HD11 H 1 0.827 0.030 . 1 . . . . 36 LEU HD1 . 11209 1 356 . 1 1 36 36 LEU HD12 H 1 0.827 0.030 . 1 . . . . 36 LEU HD1 . 11209 1 357 . 1 1 36 36 LEU HD13 H 1 0.827 0.030 . 1 . . . . 36 LEU HD1 . 11209 1 358 . 1 1 36 36 LEU HD21 H 1 0.841 0.030 . 1 . . . . 36 LEU HD2 . 11209 1 359 . 1 1 36 36 LEU HD22 H 1 0.841 0.030 . 1 . . . . 36 LEU HD2 . 11209 1 360 . 1 1 36 36 LEU HD23 H 1 0.841 0.030 . 1 . . . . 36 LEU HD2 . 11209 1 361 . 1 1 36 36 LEU HG H 1 1.927 0.030 . 1 . . . . 36 LEU HG . 11209 1 362 . 1 1 36 36 LEU C C 13 176.391 0.300 . 1 . . . . 36 LEU C . 11209 1 363 . 1 1 36 36 LEU CA C 13 53.538 0.300 . 1 . . . . 36 LEU CA . 11209 1 364 . 1 1 36 36 LEU CB C 13 47.479 0.300 . 1 . . . . 36 LEU CB . 11209 1 365 . 1 1 36 36 LEU CD1 C 13 24.871 0.300 . 2 . . . . 36 LEU CD1 . 11209 1 366 . 1 1 36 36 LEU CD2 C 13 23.299 0.300 . 2 . . . . 36 LEU CD2 . 11209 1 367 . 1 1 36 36 LEU CG C 13 25.547 0.300 . 1 . . . . 36 LEU CG . 11209 1 368 . 1 1 36 36 LEU N N 15 121.677 0.300 . 1 . . . . 36 LEU N . 11209 1 369 . 1 1 37 37 LEU H H 1 9.199 0.030 . 1 . . . . 37 LEU H . 11209 1 370 . 1 1 37 37 LEU HA H 1 4.947 0.030 . 1 . . . . 37 LEU HA . 11209 1 371 . 1 1 37 37 LEU HB2 H 1 1.473 0.030 . 2 . . . . 37 LEU HB2 . 11209 1 372 . 1 1 37 37 LEU HB3 H 1 1.426 0.030 . 2 . . . . 37 LEU HB3 . 11209 1 373 . 1 1 37 37 LEU HD11 H 1 0.886 0.030 . 1 . . . . 37 LEU HD1 . 11209 1 374 . 1 1 37 37 LEU HD12 H 1 0.886 0.030 . 1 . . . . 37 LEU HD1 . 11209 1 375 . 1 1 37 37 LEU HD13 H 1 0.886 0.030 . 1 . . . . 37 LEU HD1 . 11209 1 376 . 1 1 37 37 LEU HD21 H 1 0.867 0.030 . 1 . . . . 37 LEU HD2 . 11209 1 377 . 1 1 37 37 LEU HD22 H 1 0.867 0.030 . 1 . . . . 37 LEU HD2 . 11209 1 378 . 1 1 37 37 LEU HD23 H 1 0.867 0.030 . 1 . . . . 37 LEU HD2 . 11209 1 379 . 1 1 37 37 LEU HG H 1 1.506 0.030 . 1 . . . . 37 LEU HG . 11209 1 380 . 1 1 37 37 LEU C C 13 175.753 0.300 . 1 . . . . 37 LEU C . 11209 1 381 . 1 1 37 37 LEU CA C 13 52.530 0.300 . 1 . . . . 37 LEU CA . 11209 1 382 . 1 1 37 37 LEU CB C 13 44.189 0.300 . 1 . . . . 37 LEU CB . 11209 1 383 . 1 1 37 37 LEU CD1 C 13 25.236 0.300 . 2 . . . . 37 LEU CD1 . 11209 1 384 . 1 1 37 37 LEU CD2 C 13 23.731 0.300 . 2 . . . . 37 LEU CD2 . 11209 1 385 . 1 1 37 37 LEU CG C 13 26.731 0.300 . 1 . . . . 37 LEU CG . 11209 1 386 . 1 1 37 37 LEU N N 15 124.923 0.300 . 1 . . . . 37 LEU N . 11209 1 387 . 1 1 38 38 ALA H H 1 9.003 0.030 . 1 . . . . 38 ALA H . 11209 1 388 . 1 1 38 38 ALA HA H 1 3.327 0.030 . 1 . . . . 38 ALA HA . 11209 1 389 . 1 1 38 38 ALA HB1 H 1 1.209 0.030 . 1 . . . . 38 ALA HB . 11209 1 390 . 1 1 38 38 ALA HB2 H 1 1.209 0.030 . 1 . . . . 38 ALA HB . 11209 1 391 . 1 1 38 38 ALA HB3 H 1 1.209 0.030 . 1 . . . . 38 ALA HB . 11209 1 392 . 1 1 38 38 ALA C C 13 177.865 0.300 . 1 . . . . 38 ALA C . 11209 1 393 . 1 1 38 38 ALA CA C 13 53.655 0.300 . 1 . . . . 38 ALA CA . 11209 1 394 . 1 1 38 38 ALA CB C 13 18.001 0.300 . 1 . . . . 38 ALA CB . 11209 1 395 . 1 1 38 38 ALA N N 15 123.079 0.300 . 1 . . . . 38 ALA N . 11209 1 396 . 1 1 39 39 ASP H H 1 8.971 0.030 . 1 . . . . 39 ASP H . 11209 1 397 . 1 1 39 39 ASP HA H 1 4.196 0.030 . 1 . . . . 39 ASP HA . 11209 1 398 . 1 1 39 39 ASP HB2 H 1 3.099 0.030 . 2 . . . . 39 ASP HB2 . 11209 1 399 . 1 1 39 39 ASP HB3 H 1 2.832 0.030 . 2 . . . . 39 ASP HB3 . 11209 1 400 . 1 1 39 39 ASP C C 13 176.188 0.300 . 1 . . . . 39 ASP C . 11209 1 401 . 1 1 39 39 ASP CA C 13 56.888 0.300 . 1 . . . . 39 ASP CA . 11209 1 402 . 1 1 39 39 ASP CB C 13 39.439 0.300 . 1 . . . . 39 ASP CB . 11209 1 403 . 1 1 39 39 ASP N N 15 115.091 0.300 . 1 . . . . 39 ASP N . 11209 1 404 . 1 1 40 40 GLU H H 1 7.955 0.030 . 1 . . . . 40 GLU H . 11209 1 405 . 1 1 40 40 GLU HA H 1 4.439 0.030 . 1 . . . . 40 GLU HA . 11209 1 406 . 1 1 40 40 GLU HB2 H 1 2.341 0.030 . 2 . . . . 40 GLU HB2 . 11209 1 407 . 1 1 40 40 GLU HB3 H 1 1.881 0.030 . 2 . . . . 40 GLU HB3 . 11209 1 408 . 1 1 40 40 GLU HG2 H 1 2.659 0.030 . 2 . . . . 40 GLU HG2 . 11209 1 409 . 1 1 40 40 GLU HG3 H 1 2.152 0.030 . 2 . . . . 40 GLU HG3 . 11209 1 410 . 1 1 40 40 GLU C C 13 174.155 0.300 . 1 . . . . 40 GLU C . 11209 1 411 . 1 1 40 40 GLU CA C 13 56.762 0.300 . 1 . . . . 40 GLU CA . 11209 1 412 . 1 1 40 40 GLU CB C 13 30.598 0.300 . 1 . . . . 40 GLU CB . 11209 1 413 . 1 1 40 40 GLU CG C 13 36.950 0.300 . 1 . . . . 40 GLU CG . 11209 1 414 . 1 1 40 40 GLU N N 15 120.560 0.300 . 1 . . . . 40 GLU N . 11209 1 415 . 1 1 41 41 VAL H H 1 8.309 0.030 . 1 . . . . 41 VAL H . 11209 1 416 . 1 1 41 41 VAL HA H 1 5.144 0.030 . 1 . . . . 41 VAL HA . 11209 1 417 . 1 1 41 41 VAL HB H 1 1.903 0.030 . 1 . . . . 41 VAL HB . 11209 1 418 . 1 1 41 41 VAL HG11 H 1 0.904 0.030 . 1 . . . . 41 VAL HG1 . 11209 1 419 . 1 1 41 41 VAL HG12 H 1 0.904 0.030 . 1 . . . . 41 VAL HG1 . 11209 1 420 . 1 1 41 41 VAL HG13 H 1 0.904 0.030 . 1 . . . . 41 VAL HG1 . 11209 1 421 . 1 1 41 41 VAL HG21 H 1 0.870 0.030 . 1 . . . . 41 VAL HG2 . 11209 1 422 . 1 1 41 41 VAL HG22 H 1 0.870 0.030 . 1 . . . . 41 VAL HG2 . 11209 1 423 . 1 1 41 41 VAL HG23 H 1 0.870 0.030 . 1 . . . . 41 VAL HG2 . 11209 1 424 . 1 1 41 41 VAL C C 13 177.188 0.300 . 1 . . . . 41 VAL C . 11209 1 425 . 1 1 41 41 VAL CA C 13 61.128 0.300 . 1 . . . . 41 VAL CA . 11209 1 426 . 1 1 41 41 VAL CB C 13 32.922 0.300 . 1 . . . . 41 VAL CB . 11209 1 427 . 1 1 41 41 VAL CG1 C 13 21.140 0.300 . 2 . . . . 41 VAL CG1 . 11209 1 428 . 1 1 41 41 VAL CG2 C 13 21.515 0.300 . 2 . . . . 41 VAL CG2 . 11209 1 429 . 1 1 41 41 VAL N N 15 120.585 0.300 . 1 . . . . 41 VAL N . 11209 1 430 . 1 1 42 42 ILE H H 1 9.066 0.030 . 1 . . . . 42 ILE H . 11209 1 431 . 1 1 42 42 ILE HA H 1 5.032 0.030 . 1 . . . . 42 ILE HA . 11209 1 432 . 1 1 42 42 ILE HB H 1 2.047 0.030 . 1 . . . . 42 ILE HB . 11209 1 433 . 1 1 42 42 ILE HD11 H 1 0.650 0.030 . 1 . . . . 42 ILE HD1 . 11209 1 434 . 1 1 42 42 ILE HD12 H 1 0.650 0.030 . 1 . . . . 42 ILE HD1 . 11209 1 435 . 1 1 42 42 ILE HD13 H 1 0.650 0.030 . 1 . . . . 42 ILE HD1 . 11209 1 436 . 1 1 42 42 ILE HG12 H 1 0.886 0.030 . 2 . . . . 42 ILE HG12 . 11209 1 437 . 1 1 42 42 ILE HG13 H 1 1.258 0.030 . 2 . . . . 42 ILE HG13 . 11209 1 438 . 1 1 42 42 ILE HG21 H 1 0.819 0.030 . 1 . . . . 42 ILE HG2 . 11209 1 439 . 1 1 42 42 ILE HG22 H 1 0.819 0.030 . 1 . . . . 42 ILE HG2 . 11209 1 440 . 1 1 42 42 ILE HG23 H 1 0.819 0.030 . 1 . . . . 42 ILE HG2 . 11209 1 441 . 1 1 42 42 ILE C C 13 174.727 0.300 . 1 . . . . 42 ILE C . 11209 1 442 . 1 1 42 42 ILE CA C 13 58.964 0.300 . 1 . . . . 42 ILE CA . 11209 1 443 . 1 1 42 42 ILE CB C 13 41.598 0.300 . 1 . . . . 42 ILE CB . 11209 1 444 . 1 1 42 42 ILE CD1 C 13 14.923 0.300 . 1 . . . . 42 ILE CD1 . 11209 1 445 . 1 1 42 42 ILE CG1 C 13 25.240 0.300 . 1 . . . . 42 ILE CG1 . 11209 1 446 . 1 1 42 42 ILE CG2 C 13 17.442 0.300 . 1 . . . . 42 ILE CG2 . 11209 1 447 . 1 1 42 42 ILE N N 15 121.750 0.300 . 1 . . . . 42 ILE N . 11209 1 448 . 1 1 43 43 THR H H 1 7.929 0.030 . 1 . . . . 43 THR H . 11209 1 449 . 1 1 43 43 THR HA H 1 5.105 0.030 . 1 . . . . 43 THR HA . 11209 1 450 . 1 1 43 43 THR HB H 1 4.163 0.030 . 1 . . . . 43 THR HB . 11209 1 451 . 1 1 43 43 THR HG21 H 1 1.230 0.030 . 1 . . . . 43 THR HG2 . 11209 1 452 . 1 1 43 43 THR HG22 H 1 1.230 0.030 . 1 . . . . 43 THR HG2 . 11209 1 453 . 1 1 43 43 THR HG23 H 1 1.230 0.030 . 1 . . . . 43 THR HG2 . 11209 1 454 . 1 1 43 43 THR C C 13 173.905 0.300 . 1 . . . . 43 THR C . 11209 1 455 . 1 1 43 43 THR CA C 13 62.021 0.300 . 1 . . . . 43 THR CA . 11209 1 456 . 1 1 43 43 THR CB C 13 70.089 0.300 . 1 . . . . 43 THR CB . 11209 1 457 . 1 1 43 43 THR CG2 C 13 22.365 0.300 . 1 . . . . 43 THR CG2 . 11209 1 458 . 1 1 43 43 THR N N 15 117.196 0.300 . 1 . . . . 43 THR N . 11209 1 459 . 1 1 44 44 VAL H H 1 8.848 0.030 . 1 . . . . 44 VAL H . 11209 1 460 . 1 1 44 44 VAL HA H 1 5.775 0.030 . 1 . . . . 44 VAL HA . 11209 1 461 . 1 1 44 44 VAL HB H 1 1.939 0.030 . 1 . . . . 44 VAL HB . 11209 1 462 . 1 1 44 44 VAL HG11 H 1 0.689 0.030 . 1 . . . . 44 VAL HG1 . 11209 1 463 . 1 1 44 44 VAL HG12 H 1 0.689 0.030 . 1 . . . . 44 VAL HG1 . 11209 1 464 . 1 1 44 44 VAL HG13 H 1 0.689 0.030 . 1 . . . . 44 VAL HG1 . 11209 1 465 . 1 1 44 44 VAL HG21 H 1 0.554 0.030 . 1 . . . . 44 VAL HG2 . 11209 1 466 . 1 1 44 44 VAL HG22 H 1 0.554 0.030 . 1 . . . . 44 VAL HG2 . 11209 1 467 . 1 1 44 44 VAL HG23 H 1 0.554 0.030 . 1 . . . . 44 VAL HG2 . 11209 1 468 . 1 1 44 44 VAL C C 13 175.044 0.300 . 1 . . . . 44 VAL C . 11209 1 469 . 1 1 44 44 VAL CA C 13 57.856 0.300 . 1 . . . . 44 VAL CA . 11209 1 470 . 1 1 44 44 VAL CB C 13 36.163 0.300 . 1 . . . . 44 VAL CB . 11209 1 471 . 1 1 44 44 VAL CG1 C 13 22.598 0.300 . 2 . . . . 44 VAL CG1 . 11209 1 472 . 1 1 44 44 VAL CG2 C 13 18.503 0.300 . 2 . . . . 44 VAL CG2 . 11209 1 473 . 1 1 44 44 VAL N N 15 116.274 0.300 . 1 . . . . 44 VAL N . 11209 1 474 . 1 1 45 45 PHE H H 1 8.765 0.030 . 1 . . . . 45 PHE H . 11209 1 475 . 1 1 45 45 PHE HA H 1 4.904 0.030 . 1 . . . . 45 PHE HA . 11209 1 476 . 1 1 45 45 PHE HB2 H 1 3.314 0.030 . 2 . . . . 45 PHE HB2 . 11209 1 477 . 1 1 45 45 PHE HB3 H 1 2.996 0.030 . 2 . . . . 45 PHE HB3 . 11209 1 478 . 1 1 45 45 PHE HD1 H 1 6.948 0.030 . 1 . . . . 45 PHE HD1 . 11209 1 479 . 1 1 45 45 PHE HD2 H 1 6.948 0.030 . 1 . . . . 45 PHE HD2 . 11209 1 480 . 1 1 45 45 PHE HE1 H 1 7.107 0.030 . 1 . . . . 45 PHE HE1 . 11209 1 481 . 1 1 45 45 PHE HE2 H 1 7.107 0.030 . 1 . . . . 45 PHE HE2 . 11209 1 482 . 1 1 45 45 PHE HZ H 1 7.101 0.030 . 1 . . . . 45 PHE HZ . 11209 1 483 . 1 1 45 45 PHE C C 13 173.335 0.300 . 1 . . . . 45 PHE C . 11209 1 484 . 1 1 45 45 PHE CA C 13 56.055 0.300 . 1 . . . . 45 PHE CA . 11209 1 485 . 1 1 45 45 PHE CB C 13 40.396 0.300 . 1 . . . . 45 PHE CB . 11209 1 486 . 1 1 45 45 PHE CD1 C 13 132.153 0.300 . 1 . . . . 45 PHE CD1 . 11209 1 487 . 1 1 45 45 PHE CD2 C 13 132.153 0.300 . 1 . . . . 45 PHE CD2 . 11209 1 488 . 1 1 45 45 PHE CE1 C 13 129.924 0.300 . 1 . . . . 45 PHE CE1 . 11209 1 489 . 1 1 45 45 PHE CE2 C 13 129.924 0.300 . 1 . . . . 45 PHE CE2 . 11209 1 490 . 1 1 45 45 PHE CZ C 13 128.765 0.300 . 1 . . . . 45 PHE CZ . 11209 1 491 . 1 1 45 45 PHE N N 15 115.689 0.300 . 1 . . . . 45 PHE N . 11209 1 492 . 1 1 46 46 SER H H 1 8.606 0.030 . 1 . . . . 46 SER H . 11209 1 493 . 1 1 46 46 SER HA H 1 4.996 0.030 . 1 . . . . 46 SER HA . 11209 1 494 . 1 1 46 46 SER HB2 H 1 3.807 0.030 . 1 . . . . 46 SER HB2 . 11209 1 495 . 1 1 46 46 SER HB3 H 1 3.807 0.030 . 1 . . . . 46 SER HB3 . 11209 1 496 . 1 1 46 46 SER C C 13 174.388 0.300 . 1 . . . . 46 SER C . 11209 1 497 . 1 1 46 46 SER CA C 13 57.013 0.300 . 1 . . . . 46 SER CA . 11209 1 498 . 1 1 46 46 SER CB C 13 64.456 0.300 . 1 . . . . 46 SER CB . 11209 1 499 . 1 1 46 46 SER N N 15 115.109 0.300 . 1 . . . . 46 SER N . 11209 1 500 . 1 1 47 47 VAL H H 1 8.443 0.030 . 1 . . . . 47 VAL H . 11209 1 501 . 1 1 47 47 VAL HA H 1 4.426 0.030 . 1 . . . . 47 VAL HA . 11209 1 502 . 1 1 47 47 VAL HB H 1 1.975 0.030 . 1 . . . . 47 VAL HB . 11209 1 503 . 1 1 47 47 VAL HG11 H 1 0.952 0.030 . 1 . . . . 47 VAL HG1 . 11209 1 504 . 1 1 47 47 VAL HG12 H 1 0.952 0.030 . 1 . . . . 47 VAL HG1 . 11209 1 505 . 1 1 47 47 VAL HG13 H 1 0.952 0.030 . 1 . . . . 47 VAL HG1 . 11209 1 506 . 1 1 47 47 VAL HG21 H 1 1.009 0.030 . 1 . . . . 47 VAL HG2 . 11209 1 507 . 1 1 47 47 VAL HG22 H 1 1.009 0.030 . 1 . . . . 47 VAL HG2 . 11209 1 508 . 1 1 47 47 VAL HG23 H 1 1.009 0.030 . 1 . . . . 47 VAL HG2 . 11209 1 509 . 1 1 47 47 VAL C C 13 176.249 0.300 . 1 . . . . 47 VAL C . 11209 1 510 . 1 1 47 47 VAL CA C 13 60.530 0.300 . 1 . . . . 47 VAL CA . 11209 1 511 . 1 1 47 47 VAL CB C 13 34.899 0.300 . 1 . . . . 47 VAL CB . 11209 1 512 . 1 1 47 47 VAL CG1 C 13 21.320 0.300 . 2 . . . . 47 VAL CG1 . 11209 1 513 . 1 1 47 47 VAL CG2 C 13 20.922 0.300 . 2 . . . . 47 VAL CG2 . 11209 1 514 . 1 1 47 47 VAL N N 15 122.470 0.300 . 1 . . . . 47 VAL N . 11209 1 515 . 1 1 48 48 VAL H H 1 8.585 0.030 . 1 . . . . 48 VAL H . 11209 1 516 . 1 1 48 48 VAL HA H 1 3.816 0.030 . 1 . . . . 48 VAL HA . 11209 1 517 . 1 1 48 48 VAL HB H 1 1.997 0.030 . 1 . . . . 48 VAL HB . 11209 1 518 . 1 1 48 48 VAL HG11 H 1 0.952 0.030 . 1 . . . . 48 VAL HG1 . 11209 1 519 . 1 1 48 48 VAL HG12 H 1 0.952 0.030 . 1 . . . . 48 VAL HG1 . 11209 1 520 . 1 1 48 48 VAL HG13 H 1 0.952 0.030 . 1 . . . . 48 VAL HG1 . 11209 1 521 . 1 1 48 48 VAL HG21 H 1 1.071 0.030 . 1 . . . . 48 VAL HG2 . 11209 1 522 . 1 1 48 48 VAL HG22 H 1 1.071 0.030 . 1 . . . . 48 VAL HG2 . 11209 1 523 . 1 1 48 48 VAL HG23 H 1 1.071 0.030 . 1 . . . . 48 VAL HG2 . 11209 1 524 . 1 1 48 48 VAL C C 13 177.246 0.300 . 1 . . . . 48 VAL C . 11209 1 525 . 1 1 48 48 VAL CA C 13 64.512 0.300 . 1 . . . . 48 VAL CA . 11209 1 526 . 1 1 48 48 VAL CB C 13 31.353 0.300 . 1 . . . . 48 VAL CB . 11209 1 527 . 1 1 48 48 VAL CG1 C 13 20.595 0.300 . 2 . . . . 48 VAL CG1 . 11209 1 528 . 1 1 48 48 VAL CG2 C 13 21.640 0.300 . 2 . . . . 48 VAL CG2 . 11209 1 529 . 1 1 48 48 VAL N N 15 127.797 0.300 . 1 . . . . 48 VAL N . 11209 1 530 . 1 1 49 49 GLY H H 1 8.943 0.030 . 1 . . . . 49 GLY H . 11209 1 531 . 1 1 49 49 GLY HA2 H 1 4.257 0.030 . 2 . . . . 49 GLY HA2 . 11209 1 532 . 1 1 49 49 GLY HA3 H 1 3.689 0.030 . 2 . . . . 49 GLY HA3 . 11209 1 533 . 1 1 49 49 GLY C C 13 174.341 0.300 . 1 . . . . 49 GLY C . 11209 1 534 . 1 1 49 49 GLY CA C 13 44.771 0.300 . 1 . . . . 49 GLY CA . 11209 1 535 . 1 1 49 49 GLY N N 15 115.467 0.300 . 1 . . . . 49 GLY N . 11209 1 536 . 1 1 50 50 MET H H 1 7.678 0.030 . 1 . . . . 50 MET H . 11209 1 537 . 1 1 50 50 MET HA H 1 4.329 0.030 . 1 . . . . 50 MET HA . 11209 1 538 . 1 1 50 50 MET HB2 H 1 2.254 0.030 . 2 . . . . 50 MET HB2 . 11209 1 539 . 1 1 50 50 MET HB3 H 1 2.000 0.030 . 2 . . . . 50 MET HB3 . 11209 1 540 . 1 1 50 50 MET HE1 H 1 1.987 0.030 . 1 . . . . 50 MET HE . 11209 1 541 . 1 1 50 50 MET HE2 H 1 1.987 0.030 . 1 . . . . 50 MET HE . 11209 1 542 . 1 1 50 50 MET HE3 H 1 1.987 0.030 . 1 . . . . 50 MET HE . 11209 1 543 . 1 1 50 50 MET HG2 H 1 2.793 0.030 . 2 . . . . 50 MET HG2 . 11209 1 544 . 1 1 50 50 MET HG3 H 1 2.553 0.030 . 2 . . . . 50 MET HG3 . 11209 1 545 . 1 1 50 50 MET C C 13 175.842 0.300 . 1 . . . . 50 MET C . 11209 1 546 . 1 1 50 50 MET CA C 13 55.611 0.300 . 1 . . . . 50 MET CA . 11209 1 547 . 1 1 50 50 MET CB C 13 33.382 0.300 . 1 . . . . 50 MET CB . 11209 1 548 . 1 1 50 50 MET CE C 13 16.860 0.300 . 1 . . . . 50 MET CE . 11209 1 549 . 1 1 50 50 MET CG C 13 31.589 0.300 . 1 . . . . 50 MET CG . 11209 1 550 . 1 1 50 50 MET N N 15 120.985 0.300 . 1 . . . . 50 MET N . 11209 1 551 . 1 1 51 51 ASP H H 1 8.565 0.030 . 1 . . . . 51 ASP H . 11209 1 552 . 1 1 51 51 ASP HA H 1 4.548 0.030 . 1 . . . . 51 ASP HA . 11209 1 553 . 1 1 51 51 ASP HB2 H 1 2.905 0.030 . 2 . . . . 51 ASP HB2 . 11209 1 554 . 1 1 51 51 ASP HB3 H 1 2.737 0.030 . 2 . . . . 51 ASP HB3 . 11209 1 555 . 1 1 51 51 ASP C C 13 176.862 0.300 . 1 . . . . 51 ASP C . 11209 1 556 . 1 1 51 51 ASP CA C 13 55.172 0.300 . 1 . . . . 51 ASP CA . 11209 1 557 . 1 1 51 51 ASP CB C 13 42.240 0.300 . 1 . . . . 51 ASP CB . 11209 1 558 . 1 1 51 51 ASP N N 15 126.706 0.300 . 1 . . . . 51 ASP N . 11209 1 559 . 1 1 52 52 SER H H 1 8.471 0.030 . 1 . . . . 52 SER H . 11209 1 560 . 1 1 52 52 SER HA H 1 4.333 0.030 . 1 . . . . 52 SER HA . 11209 1 561 . 1 1 52 52 SER HB2 H 1 4.039 0.030 . 2 . . . . 52 SER HB2 . 11209 1 562 . 1 1 52 52 SER HB3 H 1 3.984 0.030 . 2 . . . . 52 SER HB3 . 11209 1 563 . 1 1 52 52 SER C C 13 174.899 0.300 . 1 . . . . 52 SER C . 11209 1 564 . 1 1 52 52 SER CA C 13 60.663 0.300 . 1 . . . . 52 SER CA . 11209 1 565 . 1 1 52 52 SER CB C 13 63.280 0.300 . 1 . . . . 52 SER CB . 11209 1 566 . 1 1 52 52 SER N N 15 116.747 0.300 . 1 . . . . 52 SER N . 11209 1 567 . 1 1 53 53 ASP H H 1 8.777 0.030 . 1 . . . . 53 ASP H . 11209 1 568 . 1 1 53 53 ASP HA H 1 4.635 0.030 . 1 . . . . 53 ASP HA . 11209 1 569 . 1 1 53 53 ASP HB2 H 1 2.571 0.030 . 2 . . . . 53 ASP HB2 . 11209 1 570 . 1 1 53 53 ASP HB3 H 1 2.475 0.030 . 2 . . . . 53 ASP HB3 . 11209 1 571 . 1 1 53 53 ASP C C 13 174.988 0.300 . 1 . . . . 53 ASP C . 11209 1 572 . 1 1 53 53 ASP CA C 13 54.771 0.300 . 1 . . . . 53 ASP CA . 11209 1 573 . 1 1 53 53 ASP CB C 13 39.890 0.300 . 1 . . . . 53 ASP CB . 11209 1 574 . 1 1 53 53 ASP N N 15 119.940 0.300 . 1 . . . . 53 ASP N . 11209 1 575 . 1 1 54 54 TRP H H 1 8.220 0.030 . 1 . . . . 54 TRP H . 11209 1 576 . 1 1 54 54 TRP HA H 1 5.221 0.030 . 1 . . . . 54 TRP HA . 11209 1 577 . 1 1 54 54 TRP HB2 H 1 3.198 0.030 . 2 . . . . 54 TRP HB2 . 11209 1 578 . 1 1 54 54 TRP HB3 H 1 2.894 0.030 . 2 . . . . 54 TRP HB3 . 11209 1 579 . 1 1 54 54 TRP HD1 H 1 7.191 0.030 . 1 . . . . 54 TRP HD1 . 11209 1 580 . 1 1 54 54 TRP HE1 H 1 10.229 0.030 . 1 . . . . 54 TRP HE1 . 11209 1 581 . 1 1 54 54 TRP HE3 H 1 7.254 0.030 . 1 . . . . 54 TRP HE3 . 11209 1 582 . 1 1 54 54 TRP HH2 H 1 7.230 0.030 . 1 . . . . 54 TRP HH2 . 11209 1 583 . 1 1 54 54 TRP HZ2 H 1 7.429 0.030 . 1 . . . . 54 TRP HZ2 . 11209 1 584 . 1 1 54 54 TRP HZ3 H 1 6.587 0.030 . 1 . . . . 54 TRP HZ3 . 11209 1 585 . 1 1 54 54 TRP C C 13 174.333 0.300 . 1 . . . . 54 TRP C . 11209 1 586 . 1 1 54 54 TRP CA C 13 56.146 0.300 . 1 . . . . 54 TRP CA . 11209 1 587 . 1 1 54 54 TRP CB C 13 32.879 0.300 . 1 . . . . 54 TRP CB . 11209 1 588 . 1 1 54 54 TRP CD1 C 13 126.785 0.300 . 1 . . . . 54 TRP CD1 . 11209 1 589 . 1 1 54 54 TRP CE3 C 13 119.920 0.300 . 1 . . . . 54 TRP CE3 . 11209 1 590 . 1 1 54 54 TRP CH2 C 13 124.849 0.300 . 1 . . . . 54 TRP CH2 . 11209 1 591 . 1 1 54 54 TRP CZ2 C 13 113.828 0.300 . 1 . . . . 54 TRP CZ2 . 11209 1 592 . 1 1 54 54 TRP CZ3 C 13 119.903 0.300 . 1 . . . . 54 TRP CZ3 . 11209 1 593 . 1 1 54 54 TRP N N 15 120.907 0.300 . 1 . . . . 54 TRP N . 11209 1 594 . 1 1 54 54 TRP NE1 N 15 129.693 0.300 . 1 . . . . 54 TRP NE1 . 11209 1 595 . 1 1 55 55 LEU H H 1 8.845 0.030 . 1 . . . . 55 LEU H . 11209 1 596 . 1 1 55 55 LEU HA H 1 4.877 0.030 . 1 . . . . 55 LEU HA . 11209 1 597 . 1 1 55 55 LEU HB2 H 1 1.398 0.030 . 2 . . . . 55 LEU HB2 . 11209 1 598 . 1 1 55 55 LEU HB3 H 1 1.122 0.030 . 2 . . . . 55 LEU HB3 . 11209 1 599 . 1 1 55 55 LEU HD11 H 1 0.648 0.030 . 1 . . . . 55 LEU HD1 . 11209 1 600 . 1 1 55 55 LEU HD12 H 1 0.648 0.030 . 1 . . . . 55 LEU HD1 . 11209 1 601 . 1 1 55 55 LEU HD13 H 1 0.648 0.030 . 1 . . . . 55 LEU HD1 . 11209 1 602 . 1 1 55 55 LEU HD21 H 1 0.891 0.030 . 1 . . . . 55 LEU HD2 . 11209 1 603 . 1 1 55 55 LEU HD22 H 1 0.891 0.030 . 1 . . . . 55 LEU HD2 . 11209 1 604 . 1 1 55 55 LEU HD23 H 1 0.891 0.030 . 1 . . . . 55 LEU HD2 . 11209 1 605 . 1 1 55 55 LEU HG H 1 1.449 0.030 . 1 . . . . 55 LEU HG . 11209 1 606 . 1 1 55 55 LEU C C 13 176.184 0.300 . 1 . . . . 55 LEU C . 11209 1 607 . 1 1 55 55 LEU CA C 13 52.930 0.300 . 1 . . . . 55 LEU CA . 11209 1 608 . 1 1 55 55 LEU CB C 13 46.198 0.300 . 1 . . . . 55 LEU CB . 11209 1 609 . 1 1 55 55 LEU CD1 C 13 26.024 0.300 . 2 . . . . 55 LEU CD1 . 11209 1 610 . 1 1 55 55 LEU CD2 C 13 23.098 0.300 . 2 . . . . 55 LEU CD2 . 11209 1 611 . 1 1 55 55 LEU CG C 13 26.663 0.300 . 1 . . . . 55 LEU CG . 11209 1 612 . 1 1 55 55 LEU N N 15 119.858 0.300 . 1 . . . . 55 LEU N . 11209 1 613 . 1 1 56 56 MET H H 1 8.295 0.030 . 1 . . . . 56 MET H . 11209 1 614 . 1 1 56 56 MET HA H 1 4.847 0.030 . 1 . . . . 56 MET HA . 11209 1 615 . 1 1 56 56 MET HB2 H 1 1.059 0.030 . 2 . . . . 56 MET HB2 . 11209 1 616 . 1 1 56 56 MET HB3 H 1 1.154 0.030 . 2 . . . . 56 MET HB3 . 11209 1 617 . 1 1 56 56 MET HE1 H 1 1.961 0.030 . 1 . . . . 56 MET HE . 11209 1 618 . 1 1 56 56 MET HE2 H 1 1.961 0.030 . 1 . . . . 56 MET HE . 11209 1 619 . 1 1 56 56 MET HE3 H 1 1.961 0.030 . 1 . . . . 56 MET HE . 11209 1 620 . 1 1 56 56 MET HG2 H 1 2.312 0.030 . 2 . . . . 56 MET HG2 . 11209 1 621 . 1 1 56 56 MET HG3 H 1 2.141 0.030 . 2 . . . . 56 MET HG3 . 11209 1 622 . 1 1 56 56 MET C C 13 174.702 0.300 . 1 . . . . 56 MET C . 11209 1 623 . 1 1 56 56 MET CA C 13 53.410 0.300 . 1 . . . . 56 MET CA . 11209 1 624 . 1 1 56 56 MET CB C 13 30.797 0.300 . 1 . . . . 56 MET CB . 11209 1 625 . 1 1 56 56 MET CE C 13 15.784 0.300 . 1 . . . . 56 MET CE . 11209 1 626 . 1 1 56 56 MET CG C 13 32.532 0.300 . 1 . . . . 56 MET CG . 11209 1 627 . 1 1 56 56 MET N N 15 118.461 0.300 . 1 . . . . 56 MET N . 11209 1 628 . 1 1 57 57 GLY H H 1 9.081 0.030 . 1 . . . . 57 GLY H . 11209 1 629 . 1 1 57 57 GLY HA2 H 1 5.357 0.030 . 2 . . . . 57 GLY HA2 . 11209 1 630 . 1 1 57 57 GLY HA3 H 1 3.213 0.030 . 2 . . . . 57 GLY HA3 . 11209 1 631 . 1 1 57 57 GLY C C 13 172.253 0.300 . 1 . . . . 57 GLY C . 11209 1 632 . 1 1 57 57 GLY CA C 13 43.530 0.300 . 1 . . . . 57 GLY CA . 11209 1 633 . 1 1 57 57 GLY N N 15 111.557 0.300 . 1 . . . . 57 GLY N . 11209 1 634 . 1 1 58 58 GLU H H 1 8.693 0.030 . 1 . . . . 58 GLU H . 11209 1 635 . 1 1 58 58 GLU HA H 1 5.180 0.030 . 1 . . . . 58 GLU HA . 11209 1 636 . 1 1 58 58 GLU HB2 H 1 1.997 0.030 . 2 . . . . 58 GLU HB2 . 11209 1 637 . 1 1 58 58 GLU HB3 H 1 1.952 0.030 . 2 . . . . 58 GLU HB3 . 11209 1 638 . 1 1 58 58 GLU HG2 H 1 2.156 0.030 . 2 . . . . 58 GLU HG2 . 11209 1 639 . 1 1 58 58 GLU HG3 H 1 2.113 0.030 . 2 . . . . 58 GLU HG3 . 11209 1 640 . 1 1 58 58 GLU C C 13 174.830 0.300 . 1 . . . . 58 GLU C . 11209 1 641 . 1 1 58 58 GLU CA C 13 54.922 0.300 . 1 . . . . 58 GLU CA . 11209 1 642 . 1 1 58 58 GLU CB C 13 33.831 0.300 . 1 . . . . 58 GLU CB . 11209 1 643 . 1 1 58 58 GLU CG C 13 36.680 0.300 . 1 . . . . 58 GLU CG . 11209 1 644 . 1 1 58 58 GLU N N 15 118.292 0.300 . 1 . . . . 58 GLU N . 11209 1 645 . 1 1 59 59 ARG H H 1 8.749 0.030 . 1 . . . . 59 ARG H . 11209 1 646 . 1 1 59 59 ARG HA H 1 4.645 0.030 . 1 . . . . 59 ARG HA . 11209 1 647 . 1 1 59 59 ARG HB2 H 1 1.828 0.030 . 2 . . . . 59 ARG HB2 . 11209 1 648 . 1 1 59 59 ARG HB3 H 1 1.567 0.030 . 2 . . . . 59 ARG HB3 . 11209 1 649 . 1 1 59 59 ARG HD2 H 1 3.227 0.030 . 2 . . . . 59 ARG HD2 . 11209 1 650 . 1 1 59 59 ARG HD3 H 1 3.268 0.030 . 2 . . . . 59 ARG HD3 . 11209 1 651 . 1 1 59 59 ARG HE H 1 8.277 0.030 . 1 . . . . 59 ARG HE . 11209 1 652 . 1 1 59 59 ARG HG2 H 1 1.784 0.030 . 2 . . . . 59 ARG HG2 . 11209 1 653 . 1 1 59 59 ARG HG3 H 1 1.414 0.030 . 2 . . . . 59 ARG HG3 . 11209 1 654 . 1 1 59 59 ARG C C 13 176.188 0.300 . 1 . . . . 59 ARG C . 11209 1 655 . 1 1 59 59 ARG CA C 13 54.765 0.300 . 1 . . . . 59 ARG CA . 11209 1 656 . 1 1 59 59 ARG CB C 13 32.146 0.300 . 1 . . . . 59 ARG CB . 11209 1 657 . 1 1 59 59 ARG CD C 13 43.572 0.300 . 1 . . . . 59 ARG CD . 11209 1 658 . 1 1 59 59 ARG CG C 13 27.271 0.300 . 1 . . . . 59 ARG CG . 11209 1 659 . 1 1 59 59 ARG N N 15 126.763 0.300 . 1 . . . . 59 ARG N . 11209 1 660 . 1 1 59 59 ARG NE N 15 85.591 0.300 . 1 . . . . 59 ARG NE . 11209 1 661 . 1 1 60 60 GLY H H 1 9.247 0.030 . 1 . . . . 60 GLY H . 11209 1 662 . 1 1 60 60 GLY HA2 H 1 4.008 0.030 . 2 . . . . 60 GLY HA2 . 11209 1 663 . 1 1 60 60 GLY HA3 H 1 3.737 0.030 . 2 . . . . 60 GLY HA3 . 11209 1 664 . 1 1 60 60 GLY C C 13 174.745 0.300 . 1 . . . . 60 GLY C . 11209 1 665 . 1 1 60 60 GLY CA C 13 47.222 0.300 . 1 . . . . 60 GLY CA . 11209 1 666 . 1 1 61 61 ASN H H 1 8.888 0.030 . 1 . . . . 61 ASN H . 11209 1 667 . 1 1 61 61 ASN HA H 1 4.734 0.030 . 1 . . . . 61 ASN HA . 11209 1 668 . 1 1 61 61 ASN HB2 H 1 2.927 0.030 . 1 . . . . 61 ASN HB2 . 11209 1 669 . 1 1 61 61 ASN HB3 H 1 2.927 0.030 . 1 . . . . 61 ASN HB3 . 11209 1 670 . 1 1 61 61 ASN HD21 H 1 7.589 0.030 . 2 . . . . 61 ASN HD21 . 11209 1 671 . 1 1 61 61 ASN HD22 H 1 6.908 0.030 . 2 . . . . 61 ASN HD22 . 11209 1 672 . 1 1 61 61 ASN C C 13 174.885 0.300 . 1 . . . . 61 ASN C . 11209 1 673 . 1 1 61 61 ASN CA C 13 53.004 0.300 . 1 . . . . 61 ASN CA . 11209 1 674 . 1 1 61 61 ASN CB C 13 38.214 0.300 . 1 . . . . 61 ASN CB . 11209 1 675 . 1 1 61 61 ASN ND2 N 15 112.098 0.300 . 1 . . . . 61 ASN ND2 . 11209 1 676 . 1 1 62 62 GLN H H 1 8.186 0.030 . 1 . . . . 62 GLN H . 11209 1 677 . 1 1 62 62 GLN HA H 1 4.612 0.030 . 1 . . . . 62 GLN HA . 11209 1 678 . 1 1 62 62 GLN HB2 H 1 2.212 0.030 . 2 . . . . 62 GLN HB2 . 11209 1 679 . 1 1 62 62 GLN HB3 H 1 2.083 0.030 . 2 . . . . 62 GLN HB3 . 11209 1 680 . 1 1 62 62 GLN HE21 H 1 7.624 0.030 . 2 . . . . 62 GLN HE21 . 11209 1 681 . 1 1 62 62 GLN HE22 H 1 6.915 0.030 . 2 . . . . 62 GLN HE22 . 11209 1 682 . 1 1 62 62 GLN HG2 H 1 2.460 0.030 . 2 . . . . 62 GLN HG2 . 11209 1 683 . 1 1 62 62 GLN HG3 H 1 2.369 0.030 . 2 . . . . 62 GLN HG3 . 11209 1 684 . 1 1 62 62 GLN C C 13 174.248 0.300 . 1 . . . . 62 GLN C . 11209 1 685 . 1 1 62 62 GLN CA C 13 55.106 0.300 . 1 . . . . 62 GLN CA . 11209 1 686 . 1 1 62 62 GLN CB C 13 31.257 0.300 . 1 . . . . 62 GLN CB . 11209 1 687 . 1 1 62 62 GLN CG C 13 34.024 0.300 . 1 . . . . 62 GLN CG . 11209 1 688 . 1 1 62 62 GLN N N 15 120.278 0.300 . 1 . . . . 62 GLN N . 11209 1 689 . 1 1 62 62 GLN NE2 N 15 112.596 0.300 . 1 . . . . 62 GLN NE2 . 11209 1 690 . 1 1 63 63 LYS H H 1 8.404 0.030 . 1 . . . . 63 LYS H . 11209 1 691 . 1 1 63 63 LYS HA H 1 5.597 0.030 . 1 . . . . 63 LYS HA . 11209 1 692 . 1 1 63 63 LYS HB2 H 1 1.860 0.030 . 2 . . . . 63 LYS HB2 . 11209 1 693 . 1 1 63 63 LYS HB3 H 1 1.763 0.030 . 2 . . . . 63 LYS HB3 . 11209 1 694 . 1 1 63 63 LYS HD2 H 1 1.722 0.030 . 2 . . . . 63 LYS HD2 . 11209 1 695 . 1 1 63 63 LYS HD3 H 1 1.686 0.030 . 2 . . . . 63 LYS HD3 . 11209 1 696 . 1 1 63 63 LYS HE2 H 1 2.953 0.030 . 1 . . . . 63 LYS HE2 . 11209 1 697 . 1 1 63 63 LYS HE3 H 1 2.953 0.030 . 1 . . . . 63 LYS HE3 . 11209 1 698 . 1 1 63 63 LYS HG2 H 1 1.450 0.030 . 1 . . . . 63 LYS HG2 . 11209 1 699 . 1 1 63 63 LYS HG3 H 1 1.450 0.030 . 1 . . . . 63 LYS HG3 . 11209 1 700 . 1 1 63 63 LYS C C 13 176.248 0.300 . 1 . . . . 63 LYS C . 11209 1 701 . 1 1 63 63 LYS CA C 13 54.305 0.300 . 1 . . . . 63 LYS CA . 11209 1 702 . 1 1 63 63 LYS CB C 13 36.305 0.300 . 1 . . . . 63 LYS CB . 11209 1 703 . 1 1 63 63 LYS CD C 13 29.490 0.300 . 1 . . . . 63 LYS CD . 11209 1 704 . 1 1 63 63 LYS CE C 13 41.887 0.300 . 1 . . . . 63 LYS CE . 11209 1 705 . 1 1 63 63 LYS CG C 13 24.666 0.300 . 1 . . . . 63 LYS CG . 11209 1 706 . 1 1 63 63 LYS N N 15 121.252 0.300 . 1 . . . . 63 LYS N . 11209 1 707 . 1 1 64 64 GLY H H 1 8.623 0.030 . 1 . . . . 64 GLY H . 11209 1 708 . 1 1 64 64 GLY HA2 H 1 4.046 0.030 . 2 . . . . 64 GLY HA2 . 11209 1 709 . 1 1 64 64 GLY HA3 H 1 3.748 0.030 . 2 . . . . 64 GLY HA3 . 11209 1 710 . 1 1 64 64 GLY C C 13 170.971 0.300 . 1 . . . . 64 GLY C . 11209 1 711 . 1 1 64 64 GLY CA C 13 45.155 0.300 . 1 . . . . 64 GLY CA . 11209 1 712 . 1 1 64 64 GLY N N 15 109.258 0.300 . 1 . . . . 64 GLY N . 11209 1 713 . 1 1 65 65 LYS H H 1 9.070 0.030 . 1 . . . . 65 LYS H . 11209 1 714 . 1 1 65 65 LYS HA H 1 5.053 0.030 . 1 . . . . 65 LYS HA . 11209 1 715 . 1 1 65 65 LYS HB2 H 1 1.889 0.030 . 2 . . . . 65 LYS HB2 . 11209 1 716 . 1 1 65 65 LYS HB3 H 1 1.565 0.030 . 2 . . . . 65 LYS HB3 . 11209 1 717 . 1 1 65 65 LYS HD2 H 1 1.273 0.030 . 2 . . . . 65 LYS HD2 . 11209 1 718 . 1 1 65 65 LYS HD3 H 1 1.109 0.030 . 2 . . . . 65 LYS HD3 . 11209 1 719 . 1 1 65 65 LYS HE2 H 1 2.164 0.030 . 2 . . . . 65 LYS HE2 . 11209 1 720 . 1 1 65 65 LYS HE3 H 1 2.072 0.030 . 2 . . . . 65 LYS HE3 . 11209 1 721 . 1 1 65 65 LYS HG2 H 1 1.516 0.030 . 2 . . . . 65 LYS HG2 . 11209 1 722 . 1 1 65 65 LYS HG3 H 1 1.380 0.030 . 2 . . . . 65 LYS HG3 . 11209 1 723 . 1 1 65 65 LYS C C 13 176.666 0.300 . 1 . . . . 65 LYS C . 11209 1 724 . 1 1 65 65 LYS CA C 13 57.246 0.300 . 1 . . . . 65 LYS CA . 11209 1 725 . 1 1 65 65 LYS CB C 13 34.163 0.300 . 1 . . . . 65 LYS CB . 11209 1 726 . 1 1 65 65 LYS CD C 13 29.166 0.300 . 1 . . . . 65 LYS CD . 11209 1 727 . 1 1 65 65 LYS CE C 13 40.797 0.300 . 1 . . . . 65 LYS CE . 11209 1 728 . 1 1 65 65 LYS CG C 13 25.288 0.300 . 1 . . . . 65 LYS CG . 11209 1 729 . 1 1 65 65 LYS N N 15 120.565 0.300 . 1 . . . . 65 LYS N . 11209 1 730 . 1 1 66 66 VAL H H 1 9.419 0.030 . 1 . . . . 66 VAL H . 11209 1 731 . 1 1 66 66 VAL HA H 1 5.083 0.030 . 1 . . . . 66 VAL HA . 11209 1 732 . 1 1 66 66 VAL HB H 1 1.741 0.030 . 1 . . . . 66 VAL HB . 11209 1 733 . 1 1 66 66 VAL HG11 H 1 0.988 0.030 . 1 . . . . 66 VAL HG1 . 11209 1 734 . 1 1 66 66 VAL HG12 H 1 0.988 0.030 . 1 . . . . 66 VAL HG1 . 11209 1 735 . 1 1 66 66 VAL HG13 H 1 0.988 0.030 . 1 . . . . 66 VAL HG1 . 11209 1 736 . 1 1 66 66 VAL HG21 H 1 0.653 0.030 . 1 . . . . 66 VAL HG2 . 11209 1 737 . 1 1 66 66 VAL HG22 H 1 0.653 0.030 . 1 . . . . 66 VAL HG2 . 11209 1 738 . 1 1 66 66 VAL HG23 H 1 0.653 0.030 . 1 . . . . 66 VAL HG2 . 11209 1 739 . 1 1 66 66 VAL C C 13 172.511 0.300 . 1 . . . . 66 VAL C . 11209 1 740 . 1 1 66 66 VAL CA C 13 56.236 0.300 . 1 . . . . 66 VAL CA . 11209 1 741 . 1 1 66 66 VAL CB C 13 33.771 0.300 . 1 . . . . 66 VAL CB . 11209 1 742 . 1 1 66 66 VAL CG1 C 13 24.581 0.300 . 2 . . . . 66 VAL CG1 . 11209 1 743 . 1 1 66 66 VAL CG2 C 13 19.007 0.300 . 2 . . . . 66 VAL CG2 . 11209 1 744 . 1 1 66 66 VAL N N 15 112.773 0.300 . 1 . . . . 66 VAL N . 11209 1 745 . 1 1 67 67 PRO HA H 1 3.725 0.030 . 1 . . . . 67 PRO HA . 11209 1 746 . 1 1 67 67 PRO HB2 H 1 1.327 0.030 . 2 . . . . 67 PRO HB2 . 11209 1 747 . 1 1 67 67 PRO HB3 H 1 0.706 0.030 . 2 . . . . 67 PRO HB3 . 11209 1 748 . 1 1 67 67 PRO HD2 H 1 2.748 0.030 . 2 . . . . 67 PRO HD2 . 11209 1 749 . 1 1 67 67 PRO HD3 H 1 3.046 0.030 . 2 . . . . 67 PRO HD3 . 11209 1 750 . 1 1 67 67 PRO HG2 H 1 0.951 0.030 . 2 . . . . 67 PRO HG2 . 11209 1 751 . 1 1 67 67 PRO HG3 H 1 0.164 0.030 . 2 . . . . 67 PRO HG3 . 11209 1 752 . 1 1 67 67 PRO C C 13 178.820 0.300 . 1 . . . . 67 PRO C . 11209 1 753 . 1 1 67 67 PRO CA C 13 60.896 0.300 . 1 . . . . 67 PRO CA . 11209 1 754 . 1 1 67 67 PRO CB C 13 30.072 0.300 . 1 . . . . 67 PRO CB . 11209 1 755 . 1 1 67 67 PRO CD C 13 49.891 0.300 . 1 . . . . 67 PRO CD . 11209 1 756 . 1 1 67 67 PRO CG C 13 25.640 0.300 . 1 . . . . 67 PRO CG . 11209 1 757 . 1 1 68 68 ILE H H 1 7.841 0.030 . 1 . . . . 68 ILE H . 11209 1 758 . 1 1 68 68 ILE HA H 1 3.580 0.030 . 1 . . . . 68 ILE HA . 11209 1 759 . 1 1 68 68 ILE HB H 1 1.540 0.030 . 1 . . . . 68 ILE HB . 11209 1 760 . 1 1 68 68 ILE HD11 H 1 0.862 0.030 . 1 . . . . 68 ILE HD1 . 11209 1 761 . 1 1 68 68 ILE HD12 H 1 0.862 0.030 . 1 . . . . 68 ILE HD1 . 11209 1 762 . 1 1 68 68 ILE HD13 H 1 0.862 0.030 . 1 . . . . 68 ILE HD1 . 11209 1 763 . 1 1 68 68 ILE HG12 H 1 1.306 0.030 . 2 . . . . 68 ILE HG12 . 11209 1 764 . 1 1 68 68 ILE HG13 H 1 1.149 0.030 . 2 . . . . 68 ILE HG13 . 11209 1 765 . 1 1 68 68 ILE HG21 H 1 0.865 0.030 . 1 . . . . 68 ILE HG2 . 11209 1 766 . 1 1 68 68 ILE HG22 H 1 0.865 0.030 . 1 . . . . 68 ILE HG2 . 11209 1 767 . 1 1 68 68 ILE HG23 H 1 0.865 0.030 . 1 . . . . 68 ILE HG2 . 11209 1 768 . 1 1 68 68 ILE C C 13 177.490 0.300 . 1 . . . . 68 ILE C . 11209 1 769 . 1 1 68 68 ILE CA C 13 64.845 0.300 . 1 . . . . 68 ILE CA . 11209 1 770 . 1 1 68 68 ILE CB C 13 38.524 0.300 . 1 . . . . 68 ILE CB . 11209 1 771 . 1 1 68 68 ILE CD1 C 13 17.625 0.300 . 1 . . . . 68 ILE CD1 . 11209 1 772 . 1 1 68 68 ILE CG1 C 13 28.757 0.300 . 1 . . . . 68 ILE CG1 . 11209 1 773 . 1 1 68 68 ILE CG2 C 13 14.093 0.300 . 1 . . . . 68 ILE CG2 . 11209 1 774 . 1 1 68 68 ILE N N 15 123.159 0.300 . 1 . . . . 68 ILE N . 11209 1 775 . 1 1 69 69 THR H H 1 7.769 0.030 . 1 . . . . 69 THR H . 11209 1 776 . 1 1 69 69 THR HA H 1 4.126 0.030 . 1 . . . . 69 THR HA . 11209 1 777 . 1 1 69 69 THR HB H 1 4.313 0.030 . 1 . . . . 69 THR HB . 11209 1 778 . 1 1 69 69 THR HG21 H 1 1.237 0.030 . 1 . . . . 69 THR HG2 . 11209 1 779 . 1 1 69 69 THR HG22 H 1 1.237 0.030 . 1 . . . . 69 THR HG2 . 11209 1 780 . 1 1 69 69 THR HG23 H 1 1.237 0.030 . 1 . . . . 69 THR HG2 . 11209 1 781 . 1 1 69 69 THR C C 13 175.406 0.300 . 1 . . . . 69 THR C . 11209 1 782 . 1 1 69 69 THR CA C 13 63.106 0.300 . 1 . . . . 69 THR CA . 11209 1 783 . 1 1 69 69 THR CB C 13 68.655 0.300 . 1 . . . . 69 THR CB . 11209 1 784 . 1 1 69 69 THR CG2 C 13 22.394 0.300 . 1 . . . . 69 THR CG2 . 11209 1 785 . 1 1 69 69 THR N N 15 109.835 0.300 . 1 . . . . 69 THR N . 11209 1 786 . 1 1 70 70 TYR H H 1 7.634 0.030 . 1 . . . . 70 TYR H . 11209 1 787 . 1 1 70 70 TYR HA H 1 4.471 0.030 . 1 . . . . 70 TYR HA . 11209 1 788 . 1 1 70 70 TYR HB2 H 1 3.377 0.030 . 2 . . . . 70 TYR HB2 . 11209 1 789 . 1 1 70 70 TYR HB3 H 1 2.789 0.030 . 2 . . . . 70 TYR HB3 . 11209 1 790 . 1 1 70 70 TYR HD1 H 1 7.223 0.030 . 1 . . . . 70 TYR HD1 . 11209 1 791 . 1 1 70 70 TYR HD2 H 1 7.223 0.030 . 1 . . . . 70 TYR HD2 . 11209 1 792 . 1 1 70 70 TYR HE1 H 1 6.923 0.030 . 1 . . . . 70 TYR HE1 . 11209 1 793 . 1 1 70 70 TYR HE2 H 1 6.923 0.030 . 1 . . . . 70 TYR HE2 . 11209 1 794 . 1 1 70 70 TYR C C 13 173.779 0.300 . 1 . . . . 70 TYR C . 11209 1 795 . 1 1 70 70 TYR CA C 13 58.456 0.300 . 1 . . . . 70 TYR CA . 11209 1 796 . 1 1 70 70 TYR CB C 13 37.388 0.300 . 1 . . . . 70 TYR CB . 11209 1 797 . 1 1 70 70 TYR CD1 C 13 132.420 0.300 . 1 . . . . 70 TYR CD1 . 11209 1 798 . 1 1 70 70 TYR CD2 C 13 132.420 0.300 . 1 . . . . 70 TYR CD2 . 11209 1 799 . 1 1 70 70 TYR CE1 C 13 117.679 0.300 . 1 . . . . 70 TYR CE1 . 11209 1 800 . 1 1 70 70 TYR CE2 C 13 117.679 0.300 . 1 . . . . 70 TYR CE2 . 11209 1 801 . 1 1 70 70 TYR N N 15 120.516 0.300 . 1 . . . . 70 TYR N . 11209 1 802 . 1 1 71 71 LEU H H 1 7.457 0.030 . 1 . . . . 71 LEU H . 11209 1 803 . 1 1 71 71 LEU HA H 1 5.118 0.030 . 1 . . . . 71 LEU HA . 11209 1 804 . 1 1 71 71 LEU HB2 H 1 1.724 0.030 . 2 . . . . 71 LEU HB2 . 11209 1 805 . 1 1 71 71 LEU HB3 H 1 1.017 0.030 . 2 . . . . 71 LEU HB3 . 11209 1 806 . 1 1 71 71 LEU HD11 H 1 0.557 0.030 . 1 . . . . 71 LEU HD1 . 11209 1 807 . 1 1 71 71 LEU HD12 H 1 0.557 0.030 . 1 . . . . 71 LEU HD1 . 11209 1 808 . 1 1 71 71 LEU HD13 H 1 0.557 0.030 . 1 . . . . 71 LEU HD1 . 11209 1 809 . 1 1 71 71 LEU HD21 H 1 0.560 0.030 . 1 . . . . 71 LEU HD2 . 11209 1 810 . 1 1 71 71 LEU HD22 H 1 0.560 0.030 . 1 . . . . 71 LEU HD2 . 11209 1 811 . 1 1 71 71 LEU HD23 H 1 0.560 0.030 . 1 . . . . 71 LEU HD2 . 11209 1 812 . 1 1 71 71 LEU HG H 1 1.712 0.030 . 1 . . . . 71 LEU HG . 11209 1 813 . 1 1 71 71 LEU C C 13 175.707 0.300 . 1 . . . . 71 LEU C . 11209 1 814 . 1 1 71 71 LEU CA C 13 53.356 0.300 . 1 . . . . 71 LEU CA . 11209 1 815 . 1 1 71 71 LEU CB C 13 45.578 0.300 . 1 . . . . 71 LEU CB . 11209 1 816 . 1 1 71 71 LEU CD1 C 13 26.430 0.300 . 2 . . . . 71 LEU CD1 . 11209 1 817 . 1 1 71 71 LEU CD2 C 13 22.907 0.300 . 2 . . . . 71 LEU CD2 . 11209 1 818 . 1 1 71 71 LEU CG C 13 25.524 0.300 . 1 . . . . 71 LEU CG . 11209 1 819 . 1 1 71 71 LEU N N 15 118.092 0.300 . 1 . . . . 71 LEU N . 11209 1 820 . 1 1 72 72 GLU H H 1 9.101 0.030 . 1 . . . . 72 GLU H . 11209 1 821 . 1 1 72 72 GLU HA H 1 4.561 0.030 . 1 . . . . 72 GLU HA . 11209 1 822 . 1 1 72 72 GLU HB2 H 1 1.996 0.030 . 2 . . . . 72 GLU HB2 . 11209 1 823 . 1 1 72 72 GLU HB3 H 1 1.796 0.030 . 2 . . . . 72 GLU HB3 . 11209 1 824 . 1 1 72 72 GLU HG2 H 1 2.146 0.030 . 2 . . . . 72 GLU HG2 . 11209 1 825 . 1 1 72 72 GLU HG3 H 1 1.943 0.030 . 2 . . . . 72 GLU HG3 . 11209 1 826 . 1 1 72 72 GLU C C 13 175.638 0.300 . 1 . . . . 72 GLU C . 11209 1 827 . 1 1 72 72 GLU CA C 13 54.370 0.300 . 1 . . . . 72 GLU CA . 11209 1 828 . 1 1 72 72 GLU CB C 13 32.024 0.300 . 1 . . . . 72 GLU CB . 11209 1 829 . 1 1 72 72 GLU CG C 13 35.890 0.300 . 1 . . . . 72 GLU CG . 11209 1 830 . 1 1 72 72 GLU N N 15 121.885 0.300 . 1 . . . . 72 GLU N . 11209 1 831 . 1 1 73 73 LEU H H 1 8.818 0.030 . 1 . . . . 73 LEU H . 11209 1 832 . 1 1 73 73 LEU HA H 1 4.289 0.030 . 1 . . . . 73 LEU HA . 11209 1 833 . 1 1 73 73 LEU HB2 H 1 1.742 0.030 . 2 . . . . 73 LEU HB2 . 11209 1 834 . 1 1 73 73 LEU HB3 H 1 1.414 0.030 . 2 . . . . 73 LEU HB3 . 11209 1 835 . 1 1 73 73 LEU HD11 H 1 0.845 0.030 . 1 . . . . 73 LEU HD1 . 11209 1 836 . 1 1 73 73 LEU HD12 H 1 0.845 0.030 . 1 . . . . 73 LEU HD1 . 11209 1 837 . 1 1 73 73 LEU HD13 H 1 0.845 0.030 . 1 . . . . 73 LEU HD1 . 11209 1 838 . 1 1 73 73 LEU HD21 H 1 0.697 0.030 . 1 . . . . 73 LEU HD2 . 11209 1 839 . 1 1 73 73 LEU HD22 H 1 0.697 0.030 . 1 . . . . 73 LEU HD2 . 11209 1 840 . 1 1 73 73 LEU HD23 H 1 0.697 0.030 . 1 . . . . 73 LEU HD2 . 11209 1 841 . 1 1 73 73 LEU HG H 1 1.675 0.030 . 1 . . . . 73 LEU HG . 11209 1 842 . 1 1 73 73 LEU C C 13 177.245 0.300 . 1 . . . . 73 LEU C . 11209 1 843 . 1 1 73 73 LEU CA C 13 55.513 0.300 . 1 . . . . 73 LEU CA . 11209 1 844 . 1 1 73 73 LEU CB C 13 40.589 0.300 . 1 . . . . 73 LEU CB . 11209 1 845 . 1 1 73 73 LEU CD1 C 13 24.976 0.300 . 2 . . . . 73 LEU CD1 . 11209 1 846 . 1 1 73 73 LEU CD2 C 13 23.325 0.300 . 2 . . . . 73 LEU CD2 . 11209 1 847 . 1 1 73 73 LEU CG C 13 27.464 0.300 . 1 . . . . 73 LEU CG . 11209 1 848 . 1 1 73 73 LEU N N 15 128.116 0.300 . 1 . . . . 73 LEU N . 11209 1 849 . 1 1 74 74 LEU H H 1 8.456 0.030 . 1 . . . . 74 LEU H . 11209 1 850 . 1 1 74 74 LEU HA H 1 4.469 0.030 . 1 . . . . 74 LEU HA . 11209 1 851 . 1 1 74 74 LEU HB2 H 1 1.600 0.030 . 2 . . . . 74 LEU HB2 . 11209 1 852 . 1 1 74 74 LEU HB3 H 1 1.486 0.030 . 2 . . . . 74 LEU HB3 . 11209 1 853 . 1 1 74 74 LEU HD11 H 1 0.828 0.030 . 1 . . . . 74 LEU HD1 . 11209 1 854 . 1 1 74 74 LEU HD12 H 1 0.828 0.030 . 1 . . . . 74 LEU HD1 . 11209 1 855 . 1 1 74 74 LEU HD13 H 1 0.828 0.030 . 1 . . . . 74 LEU HD1 . 11209 1 856 . 1 1 74 74 LEU HD21 H 1 0.797 0.030 . 1 . . . . 74 LEU HD2 . 11209 1 857 . 1 1 74 74 LEU HD22 H 1 0.797 0.030 . 1 . . . . 74 LEU HD2 . 11209 1 858 . 1 1 74 74 LEU HD23 H 1 0.797 0.030 . 1 . . . . 74 LEU HD2 . 11209 1 859 . 1 1 74 74 LEU HG H 1 1.659 0.030 . 1 . . . . 74 LEU HG . 11209 1 860 . 1 1 74 74 LEU C C 13 177.530 0.300 . 1 . . . . 74 LEU C . 11209 1 861 . 1 1 74 74 LEU CA C 13 54.223 0.300 . 1 . . . . 74 LEU CA . 11209 1 862 . 1 1 74 74 LEU CB C 13 41.814 0.300 . 1 . . . . 74 LEU CB . 11209 1 863 . 1 1 74 74 LEU CD1 C 13 25.515 0.300 . 2 . . . . 74 LEU CD1 . 11209 1 864 . 1 1 74 74 LEU CD2 C 13 22.416 0.300 . 2 . . . . 74 LEU CD2 . 11209 1 865 . 1 1 74 74 LEU CG C 13 26.913 0.300 . 1 . . . . 74 LEU CG . 11209 1 866 . 1 1 74 74 LEU N N 15 123.680 0.300 . 1 . . . . 74 LEU N . 11209 1 867 . 1 1 75 75 ASN H H 1 8.730 0.030 . 1 . . . . 75 ASN H . 11209 1 868 . 1 1 75 75 ASN HA H 1 4.485 0.030 . 1 . . . . 75 ASN HA . 11209 1 869 . 1 1 75 75 ASN HB2 H 1 2.869 0.030 . 2 . . . . 75 ASN HB2 . 11209 1 870 . 1 1 75 75 ASN HB3 H 1 2.771 0.030 . 2 . . . . 75 ASN HB3 . 11209 1 871 . 1 1 75 75 ASN HD21 H 1 7.633 0.030 . 2 . . . . 75 ASN HD21 . 11209 1 872 . 1 1 75 75 ASN HD22 H 1 6.922 0.030 . 2 . . . . 75 ASN HD22 . 11209 1 873 . 1 1 75 75 ASN C C 13 175.182 0.300 . 1 . . . . 75 ASN C . 11209 1 874 . 1 1 75 75 ASN CA C 13 53.260 0.300 . 1 . . . . 75 ASN CA . 11209 1 875 . 1 1 75 75 ASN CB C 13 38.875 0.300 . 1 . . . . 75 ASN CB . 11209 1 876 . 1 1 75 75 ASN ND2 N 15 113.188 0.300 . 1 . . . . 75 ASN ND2 . 11209 1 877 . 1 1 76 76 SER HA H 1 4.519 0.030 . 1 . . . . 76 SER HA . 11209 1 878 . 1 1 76 76 SER HB2 H 1 3.898 0.030 . 1 . . . . 76 SER HB2 . 11209 1 879 . 1 1 76 76 SER HB3 H 1 3.898 0.030 . 1 . . . . 76 SER HB3 . 11209 1 880 . 1 1 76 76 SER C C 13 174.488 0.300 . 1 . . . . 76 SER C . 11209 1 881 . 1 1 76 76 SER CA C 13 58.076 0.300 . 1 . . . . 76 SER CA . 11209 1 882 . 1 1 76 76 SER CB C 13 63.666 0.300 . 1 . . . . 76 SER CB . 11209 1 883 . 1 1 77 77 GLY H H 1 8.331 0.030 . 1 . . . . 77 GLY H . 11209 1 884 . 1 1 77 77 GLY HA2 H 1 4.160 0.030 . 2 . . . . 77 GLY HA2 . 11209 1 885 . 1 1 77 77 GLY HA3 H 1 4.120 0.030 . 2 . . . . 77 GLY HA3 . 11209 1 886 . 1 1 77 77 GLY C C 13 171.843 0.300 . 1 . . . . 77 GLY C . 11209 1 887 . 1 1 77 77 GLY CA C 13 44.405 0.300 . 1 . . . . 77 GLY CA . 11209 1 888 . 1 1 77 77 GLY N N 15 110.709 0.300 . 1 . . . . 77 GLY N . 11209 1 889 . 1 1 78 78 PRO HA H 1 4.483 0.030 . 1 . . . . 78 PRO HA . 11209 1 890 . 1 1 78 78 PRO HB2 H 1 2.299 0.030 . 2 . . . . 78 PRO HB2 . 11209 1 891 . 1 1 78 78 PRO HB3 H 1 1.982 0.030 . 2 . . . . 78 PRO HB3 . 11209 1 892 . 1 1 78 78 PRO HD2 H 1 3.633 0.030 . 1 . . . . 78 PRO HD2 . 11209 1 893 . 1 1 78 78 PRO HD3 H 1 3.633 0.030 . 1 . . . . 78 PRO HD3 . 11209 1 894 . 1 1 78 78 PRO HG2 H 1 2.023 0.030 . 1 . . . . 78 PRO HG2 . 11209 1 895 . 1 1 78 78 PRO HG3 H 1 2.023 0.030 . 1 . . . . 78 PRO HG3 . 11209 1 896 . 1 1 78 78 PRO C C 13 177.378 0.300 . 1 . . . . 78 PRO C . 11209 1 897 . 1 1 78 78 PRO CA C 13 63.013 0.300 . 1 . . . . 78 PRO CA . 11209 1 898 . 1 1 78 78 PRO CB C 13 32.007 0.300 . 1 . . . . 78 PRO CB . 11209 1 899 . 1 1 78 78 PRO CD C 13 49.551 0.300 . 1 . . . . 78 PRO CD . 11209 1 900 . 1 1 78 78 PRO CG C 13 26.947 0.300 . 1 . . . . 78 PRO CG . 11209 1 901 . 1 1 79 79 SER HA H 1 4.476 0.030 . 1 . . . . 79 SER HA . 11209 1 902 . 1 1 79 79 SER HB2 H 1 3.906 0.030 . 1 . . . . 79 SER HB2 . 11209 1 903 . 1 1 79 79 SER HB3 H 1 3.906 0.030 . 1 . . . . 79 SER HB3 . 11209 1 904 . 1 1 79 79 SER C C 13 174.638 0.300 . 1 . . . . 79 SER C . 11209 1 905 . 1 1 79 79 SER CA C 13 58.368 0.300 . 1 . . . . 79 SER CA . 11209 1 906 . 1 1 79 79 SER CB C 13 63.898 0.300 . 1 . . . . 79 SER CB . 11209 1 907 . 1 1 80 80 SER HA H 1 4.512 0.030 . 1 . . . . 80 SER HA . 11209 1 908 . 1 1 80 80 SER HB2 H 1 3.906 0.030 . 1 . . . . 80 SER HB2 . 11209 1 909 . 1 1 80 80 SER HB3 H 1 3.906 0.030 . 1 . . . . 80 SER HB3 . 11209 1 910 . 1 1 80 80 SER C C 13 173.929 0.300 . 1 . . . . 80 SER C . 11209 1 911 . 1 1 80 80 SER CA C 13 58.438 0.300 . 1 . . . . 80 SER CA . 11209 1 912 . 1 1 80 80 SER CB C 13 64.107 0.300 . 1 . . . . 80 SER CB . 11209 1 913 . 1 1 81 81 GLY H H 1 8.048 0.030 . 1 . . . . 81 GLY H . 11209 1 914 . 1 1 81 81 GLY HA2 H 1 3.781 0.030 . 1 . . . . 81 GLY HA2 . 11209 1 915 . 1 1 81 81 GLY HA3 H 1 3.781 0.030 . 1 . . . . 81 GLY HA3 . 11209 1 916 . 1 1 81 81 GLY C C 13 178.985 0.300 . 1 . . . . 81 GLY C . 11209 1 917 . 1 1 81 81 GLY CA C 13 46.222 0.300 . 1 . . . . 81 GLY CA . 11209 1 918 . 1 1 81 81 GLY N N 15 116.849 0.300 . 1 . . . . 81 GLY N . 11209 1 stop_ save_