data_11364 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11364 _Entry.Title ; Solution structure of the first SURP domain of human splicing factor SF3a120 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-07 _Entry.Accession_date 2010-09-07 _Entry.Last_release_date 2011-09-07 _Entry.Original_release_date 2011-09-07 _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 K. Kuwasako . . . 11364 2 F. He . . . 11364 3 M. Inoue . . . 11364 4 A. Tanaka . . . 11364 5 S. Sugano . . . 11364 6 P. Guntert . . . 11364 7 Y. Muto . . . 11364 8 S. Yokoyama . . . 11364 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)' . 11364 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11364 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 291 11364 '15N chemical shifts' 66 11364 '1H chemical shifts' 449 11364 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 . . 2011-09-07 2010-09-07 original author . 11364 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DT6 'BMRB Entry Tracking System' 11364 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11364 _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 structures of the SURP domains and the subunit-assembly mechanism within the splicing factor SF3a complex in 17S U2 snRNP ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev Structure _Citation.Journal_name_full Structure _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 K. Kuwasako . . . 11364 1 2 F. He . . . 11364 1 3 M. Inoue . . . 11364 1 4 A. Tanaka . . . 11364 1 5 S. Sugano . . . 11364 1 6 P. Guntert . . . 11364 1 7 Y. Muto . . . 11364 1 8 S. Yokoyama . . . 11364 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11364 _Assembly.ID 1 _Assembly.Name 'Splicing factor 3 subunit 1' _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 . _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 'SURP domain' 1 $entity_1 A . yes native no no . . . 11364 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 2dt6 . . . . . . 11364 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11364 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SURP 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 ; GEVRNIVDKTASFVARNGPE FEARIRQNEINNPKFNFLNP NDPYHAYYRHKVSEFKEGKA QEPS ; _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 64 _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 2DT6 . "Solution Structure Of The First Surp Domain Of Human Splicing Factor Sf3a120" . . . . . 100.00 64 100.00 100.00 1.17e-37 . . . . 11364 1 2 no REF XP_005961296 . "PREDICTED: LOW QUALITY PROTEIN: splicing factor 3A subunit 1 [Pantholops hodgsonii]" . . . . . 98.44 748 100.00 100.00 1.35e-34 . . . . 11364 1 3 no REF XP_007461252 . "PREDICTED: splicing factor 3A subunit 1 isoform X2 [Lipotes vexillifer]" . . . . . 98.44 736 100.00 100.00 2.96e-34 . . . . 11364 1 4 no REF XP_012967930 . "PREDICTED: splicing factor 3A subunit 1 [Mesocricetus auratus]" . . . . . 78.13 840 98.00 98.00 8.07e-25 . . . . 11364 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SURP domain' . 11364 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 . 11364 1 2 . GLU . 11364 1 3 . VAL . 11364 1 4 . ARG . 11364 1 5 . ASN . 11364 1 6 . ILE . 11364 1 7 . VAL . 11364 1 8 . ASP . 11364 1 9 . LYS . 11364 1 10 . THR . 11364 1 11 . ALA . 11364 1 12 . SER . 11364 1 13 . PHE . 11364 1 14 . VAL . 11364 1 15 . ALA . 11364 1 16 . ARG . 11364 1 17 . ASN . 11364 1 18 . GLY . 11364 1 19 . PRO . 11364 1 20 . GLU . 11364 1 21 . PHE . 11364 1 22 . GLU . 11364 1 23 . ALA . 11364 1 24 . ARG . 11364 1 25 . ILE . 11364 1 26 . ARG . 11364 1 27 . GLN . 11364 1 28 . ASN . 11364 1 29 . GLU . 11364 1 30 . ILE . 11364 1 31 . ASN . 11364 1 32 . ASN . 11364 1 33 . PRO . 11364 1 34 . LYS . 11364 1 35 . PHE . 11364 1 36 . ASN . 11364 1 37 . PHE . 11364 1 38 . LEU . 11364 1 39 . ASN . 11364 1 40 . PRO . 11364 1 41 . ASN . 11364 1 42 . ASP . 11364 1 43 . PRO . 11364 1 44 . TYR . 11364 1 45 . HIS . 11364 1 46 . ALA . 11364 1 47 . TYR . 11364 1 48 . TYR . 11364 1 49 . ARG . 11364 1 50 . HIS . 11364 1 51 . LYS . 11364 1 52 . VAL . 11364 1 53 . SER . 11364 1 54 . GLU . 11364 1 55 . PHE . 11364 1 56 . LYS . 11364 1 57 . GLU . 11364 1 58 . GLY . 11364 1 59 . LYS . 11364 1 60 . ALA . 11364 1 61 . GLN . 11364 1 62 . GLU . 11364 1 63 . PRO . 11364 1 64 . SER . 11364 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 11364 1 . GLU 2 2 11364 1 . VAL 3 3 11364 1 . ARG 4 4 11364 1 . ASN 5 5 11364 1 . ILE 6 6 11364 1 . VAL 7 7 11364 1 . ASP 8 8 11364 1 . LYS 9 9 11364 1 . THR 10 10 11364 1 . ALA 11 11 11364 1 . SER 12 12 11364 1 . PHE 13 13 11364 1 . VAL 14 14 11364 1 . ALA 15 15 11364 1 . ARG 16 16 11364 1 . ASN 17 17 11364 1 . GLY 18 18 11364 1 . PRO 19 19 11364 1 . GLU 20 20 11364 1 . PHE 21 21 11364 1 . GLU 22 22 11364 1 . ALA 23 23 11364 1 . ARG 24 24 11364 1 . ILE 25 25 11364 1 . ARG 26 26 11364 1 . GLN 27 27 11364 1 . ASN 28 28 11364 1 . GLU 29 29 11364 1 . ILE 30 30 11364 1 . ASN 31 31 11364 1 . ASN 32 32 11364 1 . PRO 33 33 11364 1 . LYS 34 34 11364 1 . PHE 35 35 11364 1 . ASN 36 36 11364 1 . PHE 37 37 11364 1 . LEU 38 38 11364 1 . ASN 39 39 11364 1 . PRO 40 40 11364 1 . ASN 41 41 11364 1 . ASP 42 42 11364 1 . PRO 43 43 11364 1 . TYR 44 44 11364 1 . HIS 45 45 11364 1 . ALA 46 46 11364 1 . TYR 47 47 11364 1 . TYR 48 48 11364 1 . ARG 49 49 11364 1 . HIS 50 50 11364 1 . LYS 51 51 11364 1 . VAL 52 52 11364 1 . SER 53 53 11364 1 . GLU 54 54 11364 1 . PHE 55 55 11364 1 . LYS 56 56 11364 1 . GLU 57 57 11364 1 . GLY 58 58 11364 1 . LYS 59 59 11364 1 . ALA 60 60 11364 1 . GLN 61 61 11364 1 . GLU 62 62 11364 1 . PRO 63 63 11364 1 . SER 64 64 11364 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 11364 _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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11364 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 11364 _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' 'Escherichia coli' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . 'pET15b-SF3a120 SURP1' . . . . . . 11364 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11364 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 2.0mM U-15N, 13C {PROTEIN;} 20mM soldium {phosphate;} 1mM {d-DTT;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'SURP domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 2.0 . . mM . . . . 11364 1 2 'soldium phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11364 1 3 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11364 1 4 H2O . . . . . . solvent 90 . . % . . . . 11364 1 5 D2O . . . . . . solvent 10 . . % . . . . 11364 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 11364 _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' 20 0.1 mM 11364 1 pH 7.0 0.05 pH 11364 1 pressure 1 0.001 atm 11364 1 temperature 278 0.1 K 11364 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11364 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11364 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11364 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11364 _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 'Delaglio, F.' . . 11364 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11364 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11364 _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 'Johnson, B.A.' . . 11364 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11364 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11364 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9321 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11364 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11364 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11364 _Software.ID 5 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11364 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11364 5 'structure solution' 11364 5 stop_ save_ save_OPALP _Software.Sf_category software _Software.Sf_framecode OPALP _Software.Entry_ID 11364 _Software.ID 6 _Software.Name OPALP _Software.Version 1.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, R.' . . 11364 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11364 6 'structure solution' 11364 6 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 11364 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 11364 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11364 _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 Bruker AVANCE . 700 . . . 11364 1 2 spectrometer_2 Bruker AVANCE . 800 . . . 11364 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 11364 _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 . . . . . . . . . . . . . . . . 11364 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11364 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 11364 _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 . . . . . . . . . 11364 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11364 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11364 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 11364 _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 11364 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11364 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 $XWINNMR . . 11364 1 2 $NMRPipe . . 11364 1 3 $NMRView . . 11364 1 4 $Kujira . . 11364 1 5 $CYANA . . 11364 1 6 $OPALP . . 11364 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 1 1 GLY HA2 H 1 3.788 0.030 . 1 . . . . 1 GLY HA2 . 11364 1 2 . 1 1 1 1 GLY HA3 H 1 3.788 0.030 . 1 . . . . 1 GLY HA3 . 11364 1 3 . 1 1 1 1 GLY CA C 13 43.333 0.300 . 1 . . . . 1 GLY CA . 11364 1 4 . 1 1 2 2 GLU HA H 1 4.217 0.030 . 1 . . . . 2 GLU HA . 11364 1 5 . 1 1 2 2 GLU HB2 H 1 1.993 0.030 . 2 . . . . 2 GLU HB2 . 11364 1 6 . 1 1 2 2 GLU HB3 H 1 1.938 0.030 . 2 . . . . 2 GLU HB3 . 11364 1 7 . 1 1 2 2 GLU HG2 H 1 2.248 0.030 . 2 . . . . 2 GLU HG2 . 11364 1 8 . 1 1 2 2 GLU HG3 H 1 2.193 0.030 . 2 . . . . 2 GLU HG3 . 11364 1 9 . 1 1 2 2 GLU C C 13 176.990 0.300 . 1 . . . . 2 GLU C . 11364 1 10 . 1 1 2 2 GLU CA C 13 57.299 0.300 . 1 . . . . 2 GLU CA . 11364 1 11 . 1 1 2 2 GLU CB C 13 30.411 0.300 . 1 . . . . 2 GLU CB . 11364 1 12 . 1 1 2 2 GLU CG C 13 35.993 0.300 . 1 . . . . 2 GLU CG . 11364 1 13 . 1 1 3 3 VAL H H 1 8.549 0.030 . 1 . . . . 3 VAL H . 11364 1 14 . 1 1 3 3 VAL HA H 1 3.817 0.030 . 1 . . . . 3 VAL HA . 11364 1 15 . 1 1 3 3 VAL HB H 1 1.909 0.030 . 1 . . . . 3 VAL HB . 11364 1 16 . 1 1 3 3 VAL HG11 H 1 0.890 0.030 . 1 . . . . 3 VAL HG1 . 11364 1 17 . 1 1 3 3 VAL HG12 H 1 0.890 0.030 . 1 . . . . 3 VAL HG1 . 11364 1 18 . 1 1 3 3 VAL HG13 H 1 0.890 0.030 . 1 . . . . 3 VAL HG1 . 11364 1 19 . 1 1 3 3 VAL HG21 H 1 0.670 0.030 . 1 . . . . 3 VAL HG2 . 11364 1 20 . 1 1 3 3 VAL HG22 H 1 0.670 0.030 . 1 . . . . 3 VAL HG2 . 11364 1 21 . 1 1 3 3 VAL HG23 H 1 0.670 0.030 . 1 . . . . 3 VAL HG2 . 11364 1 22 . 1 1 3 3 VAL C C 13 176.577 0.300 . 1 . . . . 3 VAL C . 11364 1 23 . 1 1 3 3 VAL CA C 13 64.359 0.300 . 1 . . . . 3 VAL CA . 11364 1 24 . 1 1 3 3 VAL CB C 13 31.936 0.300 . 1 . . . . 3 VAL CB . 11364 1 25 . 1 1 3 3 VAL CG1 C 13 21.466 0.300 . 2 . . . . 3 VAL CG1 . 11364 1 26 . 1 1 3 3 VAL CG2 C 13 20.902 0.300 . 2 . . . . 3 VAL CG2 . 11364 1 27 . 1 1 3 3 VAL N N 15 121.789 0.300 . 1 . . . . 3 VAL N . 11364 1 28 . 1 1 4 4 ARG H H 1 8.539 0.030 . 1 . . . . 4 ARG H . 11364 1 29 . 1 1 4 4 ARG HA H 1 3.932 0.030 . 1 . . . . 4 ARG HA . 11364 1 30 . 1 1 4 4 ARG HB2 H 1 1.721 0.030 . 1 . . . . 4 ARG HB2 . 11364 1 31 . 1 1 4 4 ARG HB3 H 1 1.721 0.030 . 1 . . . . 4 ARG HB3 . 11364 1 32 . 1 1 4 4 ARG HD2 H 1 3.013 0.030 . 1 . . . . 4 ARG HD2 . 11364 1 33 . 1 1 4 4 ARG HD3 H 1 3.013 0.030 . 1 . . . . 4 ARG HD3 . 11364 1 34 . 1 1 4 4 ARG HG2 H 1 1.527 0.030 . 1 . . . . 4 ARG HG2 . 11364 1 35 . 1 1 4 4 ARG HG3 H 1 1.527 0.030 . 1 . . . . 4 ARG HG3 . 11364 1 36 . 1 1 4 4 ARG C C 13 176.576 0.300 . 1 . . . . 4 ARG C . 11364 1 37 . 1 1 4 4 ARG CA C 13 58.023 0.300 . 1 . . . . 4 ARG CA . 11364 1 38 . 1 1 4 4 ARG CB C 13 30.301 0.300 . 1 . . . . 4 ARG CB . 11364 1 39 . 1 1 4 4 ARG CD C 13 43.147 0.300 . 1 . . . . 4 ARG CD . 11364 1 40 . 1 1 4 4 ARG CG C 13 27.551 0.300 . 1 . . . . 4 ARG CG . 11364 1 41 . 1 1 4 4 ARG N N 15 122.782 0.300 . 1 . . . . 4 ARG N . 11364 1 42 . 1 1 5 5 ASN H H 1 8.229 0.030 . 1 . . . . 5 ASN H . 11364 1 43 . 1 1 5 5 ASN HA H 1 4.494 0.030 . 1 . . . . 5 ASN HA . 11364 1 44 . 1 1 5 5 ASN HB2 H 1 2.900 0.030 . 2 . . . . 5 ASN HB2 . 11364 1 45 . 1 1 5 5 ASN HB3 H 1 2.808 0.030 . 2 . . . . 5 ASN HB3 . 11364 1 46 . 1 1 5 5 ASN HD21 H 1 7.005 0.030 . 2 . . . . 5 ASN HD21 . 11364 1 47 . 1 1 5 5 ASN HD22 H 1 7.788 0.030 . 2 . . . . 5 ASN HD22 . 11364 1 48 . 1 1 5 5 ASN C C 13 176.839 0.300 . 1 . . . . 5 ASN C . 11364 1 49 . 1 1 5 5 ASN CA C 13 55.108 0.300 . 1 . . . . 5 ASN CA . 11364 1 50 . 1 1 5 5 ASN CB C 13 38.320 0.300 . 1 . . . . 5 ASN CB . 11364 1 51 . 1 1 5 5 ASN N N 15 117.619 0.300 . 1 . . . . 5 ASN N . 11364 1 52 . 1 1 5 5 ASN ND2 N 15 113.183 0.300 . 1 . . . . 5 ASN ND2 . 11364 1 53 . 1 1 6 6 ILE H H 1 8.116 0.030 . 1 . . . . 6 ILE H . 11364 1 54 . 1 1 6 6 ILE HA H 1 3.865 0.030 . 1 . . . . 6 ILE HA . 11364 1 55 . 1 1 6 6 ILE HB H 1 1.790 0.030 . 1 . . . . 6 ILE HB . 11364 1 56 . 1 1 6 6 ILE HD11 H 1 0.719 0.030 . 1 . . . . 6 ILE HD1 . 11364 1 57 . 1 1 6 6 ILE HD12 H 1 0.719 0.030 . 1 . . . . 6 ILE HD1 . 11364 1 58 . 1 1 6 6 ILE HD13 H 1 0.719 0.030 . 1 . . . . 6 ILE HD1 . 11364 1 59 . 1 1 6 6 ILE HG12 H 1 1.408 0.030 . 2 . . . . 6 ILE HG12 . 11364 1 60 . 1 1 6 6 ILE HG13 H 1 0.955 0.030 . 2 . . . . 6 ILE HG13 . 11364 1 61 . 1 1 6 6 ILE HG21 H 1 0.618 0.030 . 1 . . . . 6 ILE HG2 . 11364 1 62 . 1 1 6 6 ILE HG22 H 1 0.618 0.030 . 1 . . . . 6 ILE HG2 . 11364 1 63 . 1 1 6 6 ILE HG23 H 1 0.618 0.030 . 1 . . . . 6 ILE HG2 . 11364 1 64 . 1 1 6 6 ILE C C 13 178.260 0.300 . 1 . . . . 6 ILE C . 11364 1 65 . 1 1 6 6 ILE CA C 13 63.655 0.300 . 1 . . . . 6 ILE CA . 11364 1 66 . 1 1 6 6 ILE CB C 13 38.017 0.300 . 1 . . . . 6 ILE CB . 11364 1 67 . 1 1 6 6 ILE CD1 C 13 13.898 0.300 . 1 . . . . 6 ILE CD1 . 11364 1 68 . 1 1 6 6 ILE CG1 C 13 29.038 0.300 . 1 . . . . 6 ILE CG1 . 11364 1 69 . 1 1 6 6 ILE CG2 C 13 17.978 0.300 . 1 . . . . 6 ILE CG2 . 11364 1 70 . 1 1 6 6 ILE N N 15 121.090 0.300 . 1 . . . . 6 ILE N . 11364 1 71 . 1 1 7 7 VAL H H 1 8.072 0.030 . 1 . . . . 7 VAL H . 11364 1 72 . 1 1 7 7 VAL HA H 1 2.690 0.030 . 1 . . . . 7 VAL HA . 11364 1 73 . 1 1 7 7 VAL HB H 1 2.036 0.030 . 1 . . . . 7 VAL HB . 11364 1 74 . 1 1 7 7 VAL HG11 H 1 0.895 0.030 . 1 . . . . 7 VAL HG1 . 11364 1 75 . 1 1 7 7 VAL HG12 H 1 0.895 0.030 . 1 . . . . 7 VAL HG1 . 11364 1 76 . 1 1 7 7 VAL HG13 H 1 0.895 0.030 . 1 . . . . 7 VAL HG1 . 11364 1 77 . 1 1 7 7 VAL HG21 H 1 -0.001 0.030 . 1 . . . . 7 VAL HG2 . 11364 1 78 . 1 1 7 7 VAL HG22 H 1 -0.001 0.030 . 1 . . . . 7 VAL HG2 . 11364 1 79 . 1 1 7 7 VAL HG23 H 1 -0.001 0.030 . 1 . . . . 7 VAL HG2 . 11364 1 80 . 1 1 7 7 VAL C C 13 177.430 0.300 . 1 . . . . 7 VAL C . 11364 1 81 . 1 1 7 7 VAL CA C 13 66.517 0.300 . 1 . . . . 7 VAL CA . 11364 1 82 . 1 1 7 7 VAL CB C 13 30.333 0.300 . 1 . . . . 7 VAL CB . 11364 1 83 . 1 1 7 7 VAL CG1 C 13 22.351 0.300 . 2 . . . . 7 VAL CG1 . 11364 1 84 . 1 1 7 7 VAL CG2 C 13 21.223 0.300 . 2 . . . . 7 VAL CG2 . 11364 1 85 . 1 1 7 7 VAL N N 15 126.472 0.300 . 1 . . . . 7 VAL N . 11364 1 86 . 1 1 8 8 ASP H H 1 8.295 0.030 . 1 . . . . 8 ASP H . 11364 1 87 . 1 1 8 8 ASP HA H 1 4.291 0.030 . 1 . . . . 8 ASP HA . 11364 1 88 . 1 1 8 8 ASP HB2 H 1 2.820 0.030 . 2 . . . . 8 ASP HB2 . 11364 1 89 . 1 1 8 8 ASP HB3 H 1 2.719 0.030 . 2 . . . . 8 ASP HB3 . 11364 1 90 . 1 1 8 8 ASP C C 13 178.756 0.300 . 1 . . . . 8 ASP C . 11364 1 91 . 1 1 8 8 ASP CA C 13 58.015 0.300 . 1 . . . . 8 ASP CA . 11364 1 92 . 1 1 8 8 ASP CB C 13 40.016 0.300 . 1 . . . . 8 ASP CB . 11364 1 93 . 1 1 8 8 ASP N N 15 120.909 0.300 . 1 . . . . 8 ASP N . 11364 1 94 . 1 1 9 9 LYS H H 1 8.193 0.030 . 1 . . . . 9 LYS H . 11364 1 95 . 1 1 9 9 LYS HA H 1 3.900 0.030 . 1 . . . . 9 LYS HA . 11364 1 96 . 1 1 9 9 LYS HB2 H 1 1.880 0.030 . 2 . . . . 9 LYS HB2 . 11364 1 97 . 1 1 9 9 LYS HB3 H 1 1.837 0.030 . 2 . . . . 9 LYS HB3 . 11364 1 98 . 1 1 9 9 LYS HD2 H 1 1.631 0.030 . 1 . . . . 9 LYS HD2 . 11364 1 99 . 1 1 9 9 LYS HD3 H 1 1.631 0.030 . 1 . . . . 9 LYS HD3 . 11364 1 100 . 1 1 9 9 LYS HE2 H 1 2.918 0.030 . 1 . . . . 9 LYS HE2 . 11364 1 101 . 1 1 9 9 LYS HE3 H 1 2.918 0.030 . 1 . . . . 9 LYS HE3 . 11364 1 102 . 1 1 9 9 LYS HG2 H 1 1.510 0.030 . 2 . . . . 9 LYS HG2 . 11364 1 103 . 1 1 9 9 LYS HG3 H 1 1.409 0.030 . 2 . . . . 9 LYS HG3 . 11364 1 104 . 1 1 9 9 LYS C C 13 179.441 0.300 . 1 . . . . 9 LYS C . 11364 1 105 . 1 1 9 9 LYS CA C 13 59.540 0.300 . 1 . . . . 9 LYS CA . 11364 1 106 . 1 1 9 9 LYS CB C 13 32.963 0.300 . 1 . . . . 9 LYS CB . 11364 1 107 . 1 1 9 9 LYS CD C 13 29.367 0.300 . 1 . . . . 9 LYS CD . 11364 1 108 . 1 1 9 9 LYS CE C 13 42.048 0.300 . 1 . . . . 9 LYS CE . 11364 1 109 . 1 1 9 9 LYS CG C 13 25.123 0.300 . 1 . . . . 9 LYS CG . 11364 1 110 . 1 1 9 9 LYS N N 15 119.054 0.300 . 1 . . . . 9 LYS N . 11364 1 111 . 1 1 10 10 THR H H 1 8.406 0.030 . 1 . . . . 10 THR H . 11364 1 112 . 1 1 10 10 THR HA H 1 4.126 0.030 . 1 . . . . 10 THR HA . 11364 1 113 . 1 1 10 10 THR HB H 1 4.661 0.030 . 1 . . . . 10 THR HB . 11364 1 114 . 1 1 10 10 THR HG21 H 1 1.696 0.030 . 1 . . . . 10 THR HG2 . 11364 1 115 . 1 1 10 10 THR HG22 H 1 1.696 0.030 . 1 . . . . 10 THR HG2 . 11364 1 116 . 1 1 10 10 THR HG23 H 1 1.696 0.030 . 1 . . . . 10 THR HG2 . 11364 1 117 . 1 1 10 10 THR C C 13 175.594 0.300 . 1 . . . . 10 THR C . 11364 1 118 . 1 1 10 10 THR CA C 13 67.713 0.300 . 1 . . . . 10 THR CA . 11364 1 119 . 1 1 10 10 THR CB C 13 68.586 0.300 . 1 . . . . 10 THR CB . 11364 1 120 . 1 1 10 10 THR CG2 C 13 21.301 0.300 . 1 . . . . 10 THR CG2 . 11364 1 121 . 1 1 10 10 THR N N 15 117.877 0.300 . 1 . . . . 10 THR N . 11364 1 122 . 1 1 11 11 ALA H H 1 9.325 0.030 . 1 . . . . 11 ALA H . 11364 1 123 . 1 1 11 11 ALA HA H 1 4.221 0.030 . 1 . . . . 11 ALA HA . 11364 1 124 . 1 1 11 11 ALA HB1 H 1 1.479 0.030 . 1 . . . . 11 ALA HB . 11364 1 125 . 1 1 11 11 ALA HB2 H 1 1.479 0.030 . 1 . . . . 11 ALA HB . 11364 1 126 . 1 1 11 11 ALA HB3 H 1 1.479 0.030 . 1 . . . . 11 ALA HB . 11364 1 127 . 1 1 11 11 ALA C C 13 178.843 0.300 . 1 . . . . 11 ALA C . 11364 1 128 . 1 1 11 11 ALA CA C 13 55.476 0.300 . 1 . . . . 11 ALA CA . 11364 1 129 . 1 1 11 11 ALA CB C 13 18.860 0.300 . 1 . . . . 11 ALA CB . 11364 1 130 . 1 1 11 11 ALA N N 15 123.666 0.300 . 1 . . . . 11 ALA N . 11364 1 131 . 1 1 12 12 SER H H 1 7.909 0.030 . 1 . . . . 12 SER H . 11364 1 132 . 1 1 12 12 SER HA H 1 3.351 0.030 . 1 . . . . 12 SER HA . 11364 1 133 . 1 1 12 12 SER HB2 H 1 3.299 0.030 . 2 . . . . 12 SER HB2 . 11364 1 134 . 1 1 12 12 SER HB3 H 1 2.851 0.030 . 2 . . . . 12 SER HB3 . 11364 1 135 . 1 1 12 12 SER C C 13 176.679 0.300 . 1 . . . . 12 SER C . 11364 1 136 . 1 1 12 12 SER CA C 13 61.015 0.300 . 1 . . . . 12 SER CA . 11364 1 137 . 1 1 12 12 SER CB C 13 61.891 0.300 . 1 . . . . 12 SER CB . 11364 1 138 . 1 1 12 12 SER N N 15 112.395 0.300 . 1 . . . . 12 SER N . 11364 1 139 . 1 1 13 13 PHE H H 1 7.776 0.030 . 1 . . . . 13 PHE H . 11364 1 140 . 1 1 13 13 PHE HA H 1 4.048 0.030 . 1 . . . . 13 PHE HA . 11364 1 141 . 1 1 13 13 PHE HB2 H 1 3.310 0.030 . 2 . . . . 13 PHE HB2 . 11364 1 142 . 1 1 13 13 PHE HB3 H 1 3.197 0.030 . 2 . . . . 13 PHE HB3 . 11364 1 143 . 1 1 13 13 PHE HD1 H 1 7.162 0.030 . 1 . . . . 13 PHE HD1 . 11364 1 144 . 1 1 13 13 PHE HD2 H 1 7.162 0.030 . 1 . . . . 13 PHE HD2 . 11364 1 145 . 1 1 13 13 PHE HE1 H 1 7.251 0.030 . 1 . . . . 13 PHE HE1 . 11364 1 146 . 1 1 13 13 PHE HE2 H 1 7.251 0.030 . 1 . . . . 13 PHE HE2 . 11364 1 147 . 1 1 13 13 PHE C C 13 178.955 0.300 . 1 . . . . 13 PHE C . 11364 1 148 . 1 1 13 13 PHE CA C 13 61.668 0.300 . 1 . . . . 13 PHE CA . 11364 1 149 . 1 1 13 13 PHE CB C 13 39.580 0.300 . 1 . . . . 13 PHE CB . 11364 1 150 . 1 1 13 13 PHE CD1 C 13 131.395 0.300 . 1 . . . . 13 PHE CD1 . 11364 1 151 . 1 1 13 13 PHE CD2 C 13 131.395 0.300 . 1 . . . . 13 PHE CD2 . 11364 1 152 . 1 1 13 13 PHE CE1 C 13 131.534 0.300 . 1 . . . . 13 PHE CE1 . 11364 1 153 . 1 1 13 13 PHE CE2 C 13 131.534 0.300 . 1 . . . . 13 PHE CE2 . 11364 1 154 . 1 1 13 13 PHE N N 15 121.158 0.300 . 1 . . . . 13 PHE N . 11364 1 155 . 1 1 14 14 VAL H H 1 9.147 0.030 . 1 . . . . 14 VAL H . 11364 1 156 . 1 1 14 14 VAL HA H 1 3.570 0.030 . 1 . . . . 14 VAL HA . 11364 1 157 . 1 1 14 14 VAL HB H 1 2.340 0.030 . 1 . . . . 14 VAL HB . 11364 1 158 . 1 1 14 14 VAL HG11 H 1 1.409 0.030 . 1 . . . . 14 VAL HG1 . 11364 1 159 . 1 1 14 14 VAL HG12 H 1 1.409 0.030 . 1 . . . . 14 VAL HG1 . 11364 1 160 . 1 1 14 14 VAL HG13 H 1 1.409 0.030 . 1 . . . . 14 VAL HG1 . 11364 1 161 . 1 1 14 14 VAL HG21 H 1 1.088 0.030 . 1 . . . . 14 VAL HG2 . 11364 1 162 . 1 1 14 14 VAL HG22 H 1 1.088 0.030 . 1 . . . . 14 VAL HG2 . 11364 1 163 . 1 1 14 14 VAL HG23 H 1 1.088 0.030 . 1 . . . . 14 VAL HG2 . 11364 1 164 . 1 1 14 14 VAL C C 13 179.211 0.300 . 1 . . . . 14 VAL C . 11364 1 165 . 1 1 14 14 VAL CA C 13 67.051 0.300 . 1 . . . . 14 VAL CA . 11364 1 166 . 1 1 14 14 VAL CB C 13 32.499 0.300 . 1 . . . . 14 VAL CB . 11364 1 167 . 1 1 14 14 VAL CG1 C 13 23.250 0.300 . 2 . . . . 14 VAL CG1 . 11364 1 168 . 1 1 14 14 VAL CG2 C 13 20.986 0.300 . 2 . . . . 14 VAL CG2 . 11364 1 169 . 1 1 14 14 VAL N N 15 122.431 0.300 . 1 . . . . 14 VAL N . 11364 1 170 . 1 1 15 15 ALA H H 1 8.891 0.030 . 1 . . . . 15 ALA H . 11364 1 171 . 1 1 15 15 ALA HA H 1 3.906 0.030 . 1 . . . . 15 ALA HA . 11364 1 172 . 1 1 15 15 ALA HB1 H 1 1.560 0.030 . 1 . . . . 15 ALA HB . 11364 1 173 . 1 1 15 15 ALA HB2 H 1 1.560 0.030 . 1 . . . . 15 ALA HB . 11364 1 174 . 1 1 15 15 ALA HB3 H 1 1.560 0.030 . 1 . . . . 15 ALA HB . 11364 1 175 . 1 1 15 15 ALA C C 13 178.894 0.300 . 1 . . . . 15 ALA C . 11364 1 176 . 1 1 15 15 ALA CA C 13 55.436 0.300 . 1 . . . . 15 ALA CA . 11364 1 177 . 1 1 15 15 ALA CB C 13 19.913 0.300 . 1 . . . . 15 ALA CB . 11364 1 178 . 1 1 15 15 ALA N N 15 124.088 0.300 . 1 . . . . 15 ALA N . 11364 1 179 . 1 1 16 16 ARG H H 1 7.337 0.030 . 1 . . . . 16 ARG H . 11364 1 180 . 1 1 16 16 ARG HA H 1 4.080 0.030 . 1 . . . . 16 ARG HA . 11364 1 181 . 1 1 16 16 ARG HB2 H 1 1.670 0.030 . 2 . . . . 16 ARG HB2 . 11364 1 182 . 1 1 16 16 ARG HB3 H 1 1.620 0.030 . 2 . . . . 16 ARG HB3 . 11364 1 183 . 1 1 16 16 ARG HD2 H 1 3.051 0.030 . 1 . . . . 16 ARG HD2 . 11364 1 184 . 1 1 16 16 ARG HD3 H 1 3.051 0.030 . 1 . . . . 16 ARG HD3 . 11364 1 185 . 1 1 16 16 ARG HG2 H 1 1.546 0.030 . 2 . . . . 16 ARG HG2 . 11364 1 186 . 1 1 16 16 ARG HG3 H 1 1.477 0.030 . 2 . . . . 16 ARG HG3 . 11364 1 187 . 1 1 16 16 ARG C C 13 177.175 0.300 . 1 . . . . 16 ARG C . 11364 1 188 . 1 1 16 16 ARG CA C 13 57.787 0.300 . 1 . . . . 16 ARG CA . 11364 1 189 . 1 1 16 16 ARG CB C 13 31.022 0.300 . 1 . . . . 16 ARG CB . 11364 1 190 . 1 1 16 16 ARG CD C 13 43.137 0.300 . 1 . . . . 16 ARG CD . 11364 1 191 . 1 1 16 16 ARG CG C 13 27.505 0.300 . 1 . . . . 16 ARG CG . 11364 1 192 . 1 1 16 16 ARG N N 15 113.270 0.300 . 1 . . . . 16 ARG N . 11364 1 193 . 1 1 17 17 ASN H H 1 7.830 0.030 . 1 . . . . 17 ASN H . 11364 1 194 . 1 1 17 17 ASN HA H 1 4.509 0.030 . 1 . . . . 17 ASN HA . 11364 1 195 . 1 1 17 17 ASN HB2 H 1 1.610 0.030 . 1 . . . . 17 ASN HB2 . 11364 1 196 . 1 1 17 17 ASN HB3 H 1 1.610 0.030 . 1 . . . . 17 ASN HB3 . 11364 1 197 . 1 1 17 17 ASN HD21 H 1 6.716 0.030 . 2 . . . . 17 ASN HD21 . 11364 1 198 . 1 1 17 17 ASN HD22 H 1 5.681 0.030 . 2 . . . . 17 ASN HD22 . 11364 1 199 . 1 1 17 17 ASN C C 13 175.625 0.300 . 1 . . . . 17 ASN C . 11364 1 200 . 1 1 17 17 ASN CA C 13 54.874 0.300 . 1 . . . . 17 ASN CA . 11364 1 201 . 1 1 17 17 ASN CB C 13 39.990 0.300 . 1 . . . . 17 ASN CB . 11364 1 202 . 1 1 17 17 ASN N N 15 115.255 0.300 . 1 . . . . 17 ASN N . 11364 1 203 . 1 1 17 17 ASN ND2 N 15 114.825 0.300 . 1 . . . . 17 ASN ND2 . 11364 1 204 . 1 1 18 18 GLY H H 1 8.508 0.030 . 1 . . . . 18 GLY H . 11364 1 205 . 1 1 18 18 GLY HA2 H 1 4.150 0.030 . 2 . . . . 18 GLY HA2 . 11364 1 206 . 1 1 18 18 GLY HA3 H 1 4.790 0.030 . 2 . . . . 18 GLY HA3 . 11364 1 207 . 1 1 18 18 GLY C C 13 180.940 0.300 . 1 . . . . 18 GLY C . 11364 1 208 . 1 1 18 18 GLY CA C 13 45.123 0.300 . 1 . . . . 18 GLY CA . 11364 1 209 . 1 1 18 18 GLY N N 15 109.584 0.300 . 1 . . . . 18 GLY N . 11364 1 210 . 1 1 19 19 PRO HA H 1 4.471 0.030 . 1 . . . . 19 PRO HA . 11364 1 211 . 1 1 19 19 PRO HB2 H 1 2.383 0.030 . 2 . . . . 19 PRO HB2 . 11364 1 212 . 1 1 19 19 PRO HB3 H 1 2.059 0.030 . 2 . . . . 19 PRO HB3 . 11364 1 213 . 1 1 19 19 PRO HD2 H 1 3.888 0.030 . 2 . . . . 19 PRO HD2 . 11364 1 214 . 1 1 19 19 PRO HD3 H 1 3.660 0.030 . 2 . . . . 19 PRO HD3 . 11364 1 215 . 1 1 19 19 PRO HG2 H 1 2.101 0.030 . 1 . . . . 19 PRO HG2 . 11364 1 216 . 1 1 19 19 PRO HG3 H 1 2.101 0.030 . 1 . . . . 19 PRO HG3 . 11364 1 217 . 1 1 19 19 PRO C C 13 179.988 0.300 . 1 . . . . 19 PRO C . 11364 1 218 . 1 1 19 19 PRO CA C 13 64.865 0.300 . 1 . . . . 19 PRO CA . 11364 1 219 . 1 1 19 19 PRO CB C 13 32.011 0.300 . 1 . . . . 19 PRO CB . 11364 1 220 . 1 1 19 19 PRO CD C 13 50.233 0.300 . 1 . . . . 19 PRO CD . 11364 1 221 . 1 1 19 19 PRO CG C 13 27.350 0.300 . 1 . . . . 19 PRO CG . 11364 1 222 . 1 1 20 20 GLU H H 1 9.840 0.030 . 1 . . . . 20 GLU H . 11364 1 223 . 1 1 20 20 GLU HA H 1 4.202 0.030 . 1 . . . . 20 GLU HA . 11364 1 224 . 1 1 20 20 GLU HB2 H 1 1.998 0.030 . 2 . . . . 20 GLU HB2 . 11364 1 225 . 1 1 20 20 GLU HB3 H 1 1.973 0.030 . 2 . . . . 20 GLU HB3 . 11364 1 226 . 1 1 20 20 GLU HG2 H 1 2.230 0.030 . 2 . . . . 20 GLU HG2 . 11364 1 227 . 1 1 20 20 GLU HG3 H 1 2.186 0.030 . 2 . . . . 20 GLU HG3 . 11364 1 228 . 1 1 20 20 GLU C C 13 178.893 0.300 . 1 . . . . 20 GLU C . 11364 1 229 . 1 1 20 20 GLU CA C 13 59.203 0.300 . 1 . . . . 20 GLU CA . 11364 1 230 . 1 1 20 20 GLU CB C 13 28.219 0.300 . 1 . . . . 20 GLU CB . 11364 1 231 . 1 1 20 20 GLU CG C 13 36.162 0.300 . 1 . . . . 20 GLU CG . 11364 1 232 . 1 1 20 20 GLU N N 15 121.687 0.300 . 1 . . . . 20 GLU N . 11364 1 233 . 1 1 21 21 PHE H H 1 8.048 0.030 . 1 . . . . 21 PHE H . 11364 1 234 . 1 1 21 21 PHE HA H 1 4.100 0.030 . 1 . . . . 21 PHE HA . 11364 1 235 . 1 1 21 21 PHE HB2 H 1 3.237 0.030 . 2 . . . . 21 PHE HB2 . 11364 1 236 . 1 1 21 21 PHE HB3 H 1 3.167 0.030 . 2 . . . . 21 PHE HB3 . 11364 1 237 . 1 1 21 21 PHE HD1 H 1 7.270 0.030 . 1 . . . . 21 PHE HD1 . 11364 1 238 . 1 1 21 21 PHE HD2 H 1 7.270 0.030 . 1 . . . . 21 PHE HD2 . 11364 1 239 . 1 1 21 21 PHE HE1 H 1 7.347 0.030 . 1 . . . . 21 PHE HE1 . 11364 1 240 . 1 1 21 21 PHE HE2 H 1 7.347 0.030 . 1 . . . . 21 PHE HE2 . 11364 1 241 . 1 1 21 21 PHE C C 13 177.451 0.300 . 1 . . . . 21 PHE C . 11364 1 242 . 1 1 21 21 PHE CA C 13 61.687 0.300 . 1 . . . . 21 PHE CA . 11364 1 243 . 1 1 21 21 PHE CB C 13 38.803 0.300 . 1 . . . . 21 PHE CB . 11364 1 244 . 1 1 21 21 PHE CD1 C 13 131.819 0.300 . 1 . . . . 21 PHE CD1 . 11364 1 245 . 1 1 21 21 PHE CD2 C 13 131.819 0.300 . 1 . . . . 21 PHE CD2 . 11364 1 246 . 1 1 21 21 PHE CE1 C 13 131.901 0.300 . 1 . . . . 21 PHE CE1 . 11364 1 247 . 1 1 21 21 PHE CE2 C 13 131.901 0.300 . 1 . . . . 21 PHE CE2 . 11364 1 248 . 1 1 21 21 PHE N N 15 119.152 0.300 . 1 . . . . 21 PHE N . 11364 1 249 . 1 1 22 22 GLU H H 1 7.580 0.030 . 1 . . . . 22 GLU H . 11364 1 250 . 1 1 22 22 GLU HA H 1 3.782 0.030 . 1 . . . . 22 GLU HA . 11364 1 251 . 1 1 22 22 GLU HB2 H 1 2.458 0.030 . 2 . . . . 22 GLU HB2 . 11364 1 252 . 1 1 22 22 GLU HB3 H 1 2.380 0.030 . 2 . . . . 22 GLU HB3 . 11364 1 253 . 1 1 22 22 GLU HG2 H 1 2.373 0.030 . 2 . . . . 22 GLU HG2 . 11364 1 254 . 1 1 22 22 GLU HG3 H 1 2.275 0.030 . 2 . . . . 22 GLU HG3 . 11364 1 255 . 1 1 22 22 GLU C C 13 176.935 0.300 . 1 . . . . 22 GLU C . 11364 1 256 . 1 1 22 22 GLU CA C 13 60.338 0.300 . 1 . . . . 22 GLU CA . 11364 1 257 . 1 1 22 22 GLU CB C 13 30.318 0.300 . 1 . . . . 22 GLU CB . 11364 1 258 . 1 1 22 22 GLU CG C 13 37.251 0.300 . 1 . . . . 22 GLU CG . 11364 1 259 . 1 1 22 22 GLU N N 15 120.465 0.300 . 1 . . . . 22 GLU N . 11364 1 260 . 1 1 23 23 ALA H H 1 7.751 0.030 . 1 . . . . 23 ALA H . 11364 1 261 . 1 1 23 23 ALA HA H 1 4.079 0.030 . 1 . . . . 23 ALA HA . 11364 1 262 . 1 1 23 23 ALA HB1 H 1 1.453 0.030 . 1 . . . . 23 ALA HB . 11364 1 263 . 1 1 23 23 ALA HB2 H 1 1.453 0.030 . 1 . . . . 23 ALA HB . 11364 1 264 . 1 1 23 23 ALA HB3 H 1 1.453 0.030 . 1 . . . . 23 ALA HB . 11364 1 265 . 1 1 23 23 ALA C C 13 180.117 0.300 . 1 . . . . 23 ALA C . 11364 1 266 . 1 1 23 23 ALA CA C 13 54.840 0.300 . 1 . . . . 23 ALA CA . 11364 1 267 . 1 1 23 23 ALA CB C 13 17.924 0.300 . 1 . . . . 23 ALA CB . 11364 1 268 . 1 1 23 23 ALA N N 15 118.845 0.300 . 1 . . . . 23 ALA N . 11364 1 269 . 1 1 24 24 ARG H H 1 7.388 0.030 . 1 . . . . 24 ARG H . 11364 1 270 . 1 1 24 24 ARG HA H 1 3.979 0.030 . 1 . . . . 24 ARG HA . 11364 1 271 . 1 1 24 24 ARG HB2 H 1 1.808 0.030 . 1 . . . . 24 ARG HB2 . 11364 1 272 . 1 1 24 24 ARG HB3 H 1 1.808 0.030 . 1 . . . . 24 ARG HB3 . 11364 1 273 . 1 1 24 24 ARG HD2 H 1 3.069 0.030 . 2 . . . . 24 ARG HD2 . 11364 1 274 . 1 1 24 24 ARG HD3 H 1 2.883 0.030 . 2 . . . . 24 ARG HD3 . 11364 1 275 . 1 1 24 24 ARG HG2 H 1 1.629 0.030 . 2 . . . . 24 ARG HG2 . 11364 1 276 . 1 1 24 24 ARG HG3 H 1 1.530 0.030 . 2 . . . . 24 ARG HG3 . 11364 1 277 . 1 1 24 24 ARG C C 13 178.341 0.300 . 1 . . . . 24 ARG C . 11364 1 278 . 1 1 24 24 ARG CA C 13 59.070 0.300 . 1 . . . . 24 ARG CA . 11364 1 279 . 1 1 24 24 ARG CB C 13 30.174 0.300 . 1 . . . . 24 ARG CB . 11364 1 280 . 1 1 24 24 ARG CD C 13 43.380 0.300 . 1 . . . . 24 ARG CD . 11364 1 281 . 1 1 24 24 ARG CG C 13 27.072 0.300 . 1 . . . . 24 ARG CG . 11364 1 282 . 1 1 24 24 ARG N N 15 118.115 0.300 . 1 . . . . 24 ARG N . 11364 1 283 . 1 1 25 25 ILE H H 1 7.938 0.030 . 1 . . . . 25 ILE H . 11364 1 284 . 1 1 25 25 ILE HA H 1 3.509 0.030 . 1 . . . . 25 ILE HA . 11364 1 285 . 1 1 25 25 ILE HB H 1 1.631 0.030 . 1 . . . . 25 ILE HB . 11364 1 286 . 1 1 25 25 ILE HD11 H 1 0.830 0.030 . 1 . . . . 25 ILE HD1 . 11364 1 287 . 1 1 25 25 ILE HD12 H 1 0.830 0.030 . 1 . . . . 25 ILE HD1 . 11364 1 288 . 1 1 25 25 ILE HD13 H 1 0.830 0.030 . 1 . . . . 25 ILE HD1 . 11364 1 289 . 1 1 25 25 ILE HG12 H 1 1.708 0.030 . 2 . . . . 25 ILE HG12 . 11364 1 290 . 1 1 25 25 ILE HG13 H 1 0.890 0.030 . 2 . . . . 25 ILE HG13 . 11364 1 291 . 1 1 25 25 ILE HG21 H 1 0.540 0.030 . 1 . . . . 25 ILE HG2 . 11364 1 292 . 1 1 25 25 ILE HG22 H 1 0.540 0.030 . 1 . . . . 25 ILE HG2 . 11364 1 293 . 1 1 25 25 ILE HG23 H 1 0.540 0.030 . 1 . . . . 25 ILE HG2 . 11364 1 294 . 1 1 25 25 ILE C C 13 177.103 0.300 . 1 . . . . 25 ILE C . 11364 1 295 . 1 1 25 25 ILE CA C 13 65.236 0.300 . 1 . . . . 25 ILE CA . 11364 1 296 . 1 1 25 25 ILE CB C 13 37.869 0.300 . 1 . . . . 25 ILE CB . 11364 1 297 . 1 1 25 25 ILE CD1 C 13 13.857 0.300 . 1 . . . . 25 ILE CD1 . 11364 1 298 . 1 1 25 25 ILE CG1 C 13 28.501 0.300 . 1 . . . . 25 ILE CG1 . 11364 1 299 . 1 1 25 25 ILE CG2 C 13 18.084 0.300 . 1 . . . . 25 ILE CG2 . 11364 1 300 . 1 1 25 25 ILE N N 15 120.186 0.300 . 1 . . . . 25 ILE N . 11364 1 301 . 1 1 26 26 ARG H H 1 8.114 0.030 . 1 . . . . 26 ARG H . 11364 1 302 . 1 1 26 26 ARG HA H 1 3.549 0.030 . 1 . . . . 26 ARG HA . 11364 1 303 . 1 1 26 26 ARG HB2 H 1 1.866 0.030 . 2 . . . . 26 ARG HB2 . 11364 1 304 . 1 1 26 26 ARG HB3 H 1 1.714 0.030 . 2 . . . . 26 ARG HB3 . 11364 1 305 . 1 1 26 26 ARG HD2 H 1 3.091 0.030 . 1 . . . . 26 ARG HD2 . 11364 1 306 . 1 1 26 26 ARG HD3 H 1 3.091 0.030 . 1 . . . . 26 ARG HD3 . 11364 1 307 . 1 1 26 26 ARG HE H 1 7.098 0.030 . 1 . . . . 26 ARG HE . 11364 1 308 . 1 1 26 26 ARG HG2 H 1 1.552 0.030 . 2 . . . . 26 ARG HG2 . 11364 1 309 . 1 1 26 26 ARG HG3 H 1 1.441 0.030 . 2 . . . . 26 ARG HG3 . 11364 1 310 . 1 1 26 26 ARG C C 13 178.209 0.300 . 1 . . . . 26 ARG C . 11364 1 311 . 1 1 26 26 ARG CA C 13 59.381 0.300 . 1 . . . . 26 ARG CA . 11364 1 312 . 1 1 26 26 ARG CB C 13 30.175 0.300 . 1 . . . . 26 ARG CB . 11364 1 313 . 1 1 26 26 ARG CD C 13 43.670 0.300 . 1 . . . . 26 ARG CD . 11364 1 314 . 1 1 26 26 ARG CG C 13 27.489 0.300 . 1 . . . . 26 ARG CG . 11364 1 315 . 1 1 26 26 ARG N N 15 118.025 0.300 . 1 . . . . 26 ARG N . 11364 1 316 . 1 1 27 27 GLN H H 1 7.533 0.030 . 1 . . . . 27 GLN H . 11364 1 317 . 1 1 27 27 GLN HA H 1 3.950 0.030 . 1 . . . . 27 GLN HA . 11364 1 318 . 1 1 27 27 GLN HB2 H 1 2.080 0.030 . 2 . . . . 27 GLN HB2 . 11364 1 319 . 1 1 27 27 GLN HB3 H 1 2.019 0.030 . 2 . . . . 27 GLN HB3 . 11364 1 320 . 1 1 27 27 GLN HE21 H 1 6.903 0.030 . 2 . . . . 27 GLN HE21 . 11364 1 321 . 1 1 27 27 GLN HE22 H 1 7.505 0.030 . 2 . . . . 27 GLN HE22 . 11364 1 322 . 1 1 27 27 GLN HG2 H 1 2.360 0.030 . 1 . . . . 27 GLN HG2 . 11364 1 323 . 1 1 27 27 GLN HG3 H 1 2.360 0.030 . 1 . . . . 27 GLN HG3 . 11364 1 324 . 1 1 27 27 GLN C C 13 178.618 0.300 . 1 . . . . 27 GLN C . 11364 1 325 . 1 1 27 27 GLN CA C 13 58.040 0.300 . 1 . . . . 27 GLN CA . 11364 1 326 . 1 1 27 27 GLN CB C 13 28.384 0.300 . 1 . . . . 27 GLN CB . 11364 1 327 . 1 1 27 27 GLN CG C 13 33.523 0.300 . 1 . . . . 27 GLN CG . 11364 1 328 . 1 1 27 27 GLN N N 15 114.590 0.300 . 1 . . . . 27 GLN N . 11364 1 329 . 1 1 27 27 GLN NE2 N 15 112.344 0.300 . 1 . . . . 27 GLN NE2 . 11364 1 330 . 1 1 28 28 ASN H H 1 8.357 0.030 . 1 . . . . 28 ASN H . 11364 1 331 . 1 1 28 28 ASN HA H 1 4.330 0.030 . 1 . . . . 28 ASN HA . 11364 1 332 . 1 1 28 28 ASN HB2 H 1 2.788 0.030 . 2 . . . . 28 ASN HB2 . 11364 1 333 . 1 1 28 28 ASN HB3 H 1 2.690 0.030 . 2 . . . . 28 ASN HB3 . 11364 1 334 . 1 1 28 28 ASN HD21 H 1 7.570 0.030 . 2 . . . . 28 ASN HD21 . 11364 1 335 . 1 1 28 28 ASN HD22 H 1 6.835 0.030 . 2 . . . . 28 ASN HD22 . 11364 1 336 . 1 1 28 28 ASN C C 13 177.370 0.300 . 1 . . . . 28 ASN C . 11364 1 337 . 1 1 28 28 ASN CA C 13 55.552 0.300 . 1 . . . . 28 ASN CA . 11364 1 338 . 1 1 28 28 ASN CB C 13 38.372 0.300 . 1 . . . . 28 ASN CB . 11364 1 339 . 1 1 28 28 ASN N N 15 119.122 0.300 . 1 . . . . 28 ASN N . 11364 1 340 . 1 1 28 28 ASN ND2 N 15 111.468 0.300 . 1 . . . . 28 ASN ND2 . 11364 1 341 . 1 1 29 29 GLU H H 1 7.966 0.030 . 1 . . . . 29 GLU H . 11364 1 342 . 1 1 29 29 GLU HA H 1 4.753 0.030 . 1 . . . . 29 GLU HA . 11364 1 343 . 1 1 29 29 GLU HB2 H 1 2.107 0.030 . 2 . . . . 29 GLU HB2 . 11364 1 344 . 1 1 29 29 GLU HB3 H 1 0.917 0.030 . 2 . . . . 29 GLU HB3 . 11364 1 345 . 1 1 29 29 GLU HG2 H 1 1.650 0.030 . 2 . . . . 29 GLU HG2 . 11364 1 346 . 1 1 29 29 GLU HG3 H 1 0.295 0.030 . 2 . . . . 29 GLU HG3 . 11364 1 347 . 1 1 29 29 GLU C C 13 178.055 0.300 . 1 . . . . 29 GLU C . 11364 1 348 . 1 1 29 29 GLU CA C 13 53.950 0.300 . 1 . . . . 29 GLU CA . 11364 1 349 . 1 1 29 29 GLU CB C 13 28.372 0.300 . 1 . . . . 29 GLU CB . 11364 1 350 . 1 1 29 29 GLU CG C 13 32.926 0.300 . 1 . . . . 29 GLU CG . 11364 1 351 . 1 1 29 29 GLU N N 15 116.147 0.300 . 1 . . . . 29 GLU N . 11364 1 352 . 1 1 30 30 ILE H H 1 6.729 0.030 . 1 . . . . 30 ILE H . 11364 1 353 . 1 1 30 30 ILE HA H 1 3.981 0.030 . 1 . . . . 30 ILE HA . 11364 1 354 . 1 1 30 30 ILE HB H 1 2.050 0.030 . 1 . . . . 30 ILE HB . 11364 1 355 . 1 1 30 30 ILE HD11 H 1 0.848 0.030 . 1 . . . . 30 ILE HD1 . 11364 1 356 . 1 1 30 30 ILE HD12 H 1 0.848 0.030 . 1 . . . . 30 ILE HD1 . 11364 1 357 . 1 1 30 30 ILE HD13 H 1 0.848 0.030 . 1 . . . . 30 ILE HD1 . 11364 1 358 . 1 1 30 30 ILE HG12 H 1 1.439 0.030 . 2 . . . . 30 ILE HG12 . 11364 1 359 . 1 1 30 30 ILE HG13 H 1 1.189 0.030 . 2 . . . . 30 ILE HG13 . 11364 1 360 . 1 1 30 30 ILE HG21 H 1 0.837 0.030 . 1 . . . . 30 ILE HG2 . 11364 1 361 . 1 1 30 30 ILE HG22 H 1 0.837 0.030 . 1 . . . . 30 ILE HG2 . 11364 1 362 . 1 1 30 30 ILE HG23 H 1 0.837 0.030 . 1 . . . . 30 ILE HG2 . 11364 1 363 . 1 1 30 30 ILE C C 13 175.553 0.300 . 1 . . . . 30 ILE C . 11364 1 364 . 1 1 30 30 ILE CA C 13 63.046 0.300 . 1 . . . . 30 ILE CA . 11364 1 365 . 1 1 30 30 ILE CB C 13 38.489 0.300 . 1 . . . . 30 ILE CB . 11364 1 366 . 1 1 30 30 ILE CD1 C 13 14.193 0.300 . 1 . . . . 30 ILE CD1 . 11364 1 367 . 1 1 30 30 ILE CG1 C 13 28.793 0.300 . 1 . . . . 30 ILE CG1 . 11364 1 368 . 1 1 30 30 ILE CG2 C 13 17.072 0.300 . 1 . . . . 30 ILE CG2 . 11364 1 369 . 1 1 30 30 ILE N N 15 122.584 0.300 . 1 . . . . 30 ILE N . 11364 1 370 . 1 1 31 31 ASN H H 1 8.475 0.030 . 1 . . . . 31 ASN H . 11364 1 371 . 1 1 31 31 ASN HB2 H 1 3.005 0.030 . 1 . . . . 31 ASN HB2 . 11364 1 372 . 1 1 31 31 ASN HB3 H 1 3.005 0.030 . 1 . . . . 31 ASN HB3 . 11364 1 373 . 1 1 31 31 ASN HD21 H 1 7.006 0.030 . 2 . . . . 31 ASN HD21 . 11364 1 374 . 1 1 31 31 ASN HD22 H 1 7.741 0.030 . 2 . . . . 31 ASN HD22 . 11364 1 375 . 1 1 31 31 ASN C C 13 173.947 0.300 . 1 . . . . 31 ASN C . 11364 1 376 . 1 1 31 31 ASN CA C 13 53.137 0.300 . 1 . . . . 31 ASN CA . 11364 1 377 . 1 1 31 31 ASN CB C 13 38.779 0.300 . 1 . . . . 31 ASN CB . 11364 1 378 . 1 1 31 31 ASN ND2 N 15 114.678 0.300 . 1 . . . . 31 ASN ND2 . 11364 1 379 . 1 1 32 32 ASN H H 1 8.098 0.030 . 1 . . . . 32 ASN H . 11364 1 380 . 1 1 32 32 ASN HA H 1 5.200 0.030 . 1 . . . . 32 ASN HA . 11364 1 381 . 1 1 32 32 ASN HB2 H 1 3.809 0.030 . 2 . . . . 32 ASN HB2 . 11364 1 382 . 1 1 32 32 ASN HB3 H 1 2.827 0.030 . 2 . . . . 32 ASN HB3 . 11364 1 383 . 1 1 32 32 ASN HD21 H 1 8.293 0.030 . 2 . . . . 32 ASN HD21 . 11364 1 384 . 1 1 32 32 ASN HD22 H 1 7.334 0.030 . 2 . . . . 32 ASN HD22 . 11364 1 385 . 1 1 32 32 ASN C C 13 174.936 0.300 . 1 . . . . 32 ASN C . 11364 1 386 . 1 1 32 32 ASN CA C 13 49.378 0.300 . 1 . . . . 32 ASN CA . 11364 1 387 . 1 1 32 32 ASN CB C 13 39.872 0.300 . 1 . . . . 32 ASN CB . 11364 1 388 . 1 1 32 32 ASN N N 15 120.245 0.300 . 1 . . . . 32 ASN N . 11364 1 389 . 1 1 32 32 ASN ND2 N 15 113.021 0.300 . 1 . . . . 32 ASN ND2 . 11364 1 390 . 1 1 33 33 PRO HA H 1 4.390 0.030 . 1 . . . . 33 PRO HA . 11364 1 391 . 1 1 33 33 PRO HB2 H 1 2.400 0.030 . 2 . . . . 33 PRO HB2 . 11364 1 392 . 1 1 33 33 PRO HB3 H 1 1.999 0.030 . 2 . . . . 33 PRO HB3 . 11364 1 393 . 1 1 33 33 PRO HD2 H 1 4.161 0.030 . 2 . . . . 33 PRO HD2 . 11364 1 394 . 1 1 33 33 PRO HD3 H 1 4.040 0.030 . 2 . . . . 33 PRO HD3 . 11364 1 395 . 1 1 33 33 PRO HG2 H 1 2.062 0.030 . 1 . . . . 33 PRO HG2 . 11364 1 396 . 1 1 33 33 PRO HG3 H 1 2.062 0.030 . 1 . . . . 33 PRO HG3 . 11364 1 397 . 1 1 33 33 PRO C C 13 178.494 0.300 . 1 . . . . 33 PRO C . 11364 1 398 . 1 1 33 33 PRO CA C 13 63.749 0.300 . 1 . . . . 33 PRO CA . 11364 1 399 . 1 1 33 33 PRO CB C 13 32.249 0.300 . 1 . . . . 33 PRO CB . 11364 1 400 . 1 1 33 33 PRO CD C 13 51.334 0.300 . 1 . . . . 33 PRO CD . 11364 1 401 . 1 1 33 33 PRO CG C 13 27.215 0.300 . 1 . . . . 33 PRO CG . 11364 1 402 . 1 1 34 34 LYS H H 1 7.703 0.030 . 1 . . . . 34 LYS H . 11364 1 403 . 1 1 34 34 LYS HA H 1 3.987 0.030 . 1 . . . . 34 LYS HA . 11364 1 404 . 1 1 34 34 LYS HB2 H 1 1.640 0.030 . 2 . . . . 34 LYS HB2 . 11364 1 405 . 1 1 34 34 LYS HB3 H 1 1.592 0.030 . 2 . . . . 34 LYS HB3 . 11364 1 406 . 1 1 34 34 LYS HD2 H 1 1.619 0.030 . 1 . . . . 34 LYS HD2 . 11364 1 407 . 1 1 34 34 LYS HD3 H 1 1.619 0.030 . 1 . . . . 34 LYS HD3 . 11364 1 408 . 1 1 34 34 LYS HE2 H 1 2.921 0.030 . 1 . . . . 34 LYS HE2 . 11364 1 409 . 1 1 34 34 LYS HE3 H 1 2.921 0.030 . 1 . . . . 34 LYS HE3 . 11364 1 410 . 1 1 34 34 LYS HG2 H 1 1.489 0.030 . 2 . . . . 34 LYS HG2 . 11364 1 411 . 1 1 34 34 LYS HG3 H 1 1.269 0.030 . 2 . . . . 34 LYS HG3 . 11364 1 412 . 1 1 34 34 LYS C C 13 176.694 0.300 . 1 . . . . 34 LYS C . 11364 1 413 . 1 1 34 34 LYS CA C 13 58.506 0.300 . 1 . . . . 34 LYS CA . 11364 1 414 . 1 1 34 34 LYS CB C 13 32.453 0.300 . 1 . . . . 34 LYS CB . 11364 1 415 . 1 1 34 34 LYS CD C 13 29.260 0.300 . 1 . . . . 34 LYS CD . 11364 1 416 . 1 1 34 34 LYS CE C 13 42.109 0.300 . 1 . . . . 34 LYS CE . 11364 1 417 . 1 1 34 34 LYS CG C 13 25.930 0.300 . 1 . . . . 34 LYS CG . 11364 1 418 . 1 1 34 34 LYS N N 15 117.632 0.300 . 1 . . . . 34 LYS N . 11364 1 419 . 1 1 35 35 PHE H H 1 7.708 0.030 . 1 . . . . 35 PHE H . 11364 1 420 . 1 1 35 35 PHE HA H 1 4.328 0.030 . 1 . . . . 35 PHE HA . 11364 1 421 . 1 1 35 35 PHE HB2 H 1 3.090 0.030 . 2 . . . . 35 PHE HB2 . 11364 1 422 . 1 1 35 35 PHE HB3 H 1 2.579 0.030 . 2 . . . . 35 PHE HB3 . 11364 1 423 . 1 1 35 35 PHE HD1 H 1 6.781 0.030 . 1 . . . . 35 PHE HD1 . 11364 1 424 . 1 1 35 35 PHE HD2 H 1 6.781 0.030 . 1 . . . . 35 PHE HD2 . 11364 1 425 . 1 1 35 35 PHE HE1 H 1 7.241 0.030 . 1 . . . . 35 PHE HE1 . 11364 1 426 . 1 1 35 35 PHE HE2 H 1 7.241 0.030 . 1 . . . . 35 PHE HE2 . 11364 1 427 . 1 1 35 35 PHE HZ H 1 7.187 0.030 . 1 . . . . 35 PHE HZ . 11364 1 428 . 1 1 35 35 PHE C C 13 175.799 0.300 . 1 . . . . 35 PHE C . 11364 1 429 . 1 1 35 35 PHE CA C 13 57.980 0.300 . 1 . . . . 35 PHE CA . 11364 1 430 . 1 1 35 35 PHE CB C 13 38.731 0.300 . 1 . . . . 35 PHE CB . 11364 1 431 . 1 1 35 35 PHE CD1 C 13 131.462 0.300 . 1 . . . . 35 PHE CD1 . 11364 1 432 . 1 1 35 35 PHE CD2 C 13 131.462 0.300 . 1 . . . . 35 PHE CD2 . 11364 1 433 . 1 1 35 35 PHE CE1 C 13 131.222 0.300 . 1 . . . . 35 PHE CE1 . 11364 1 434 . 1 1 35 35 PHE CE2 C 13 131.222 0.300 . 1 . . . . 35 PHE CE2 . 11364 1 435 . 1 1 35 35 PHE CZ C 13 129.805 0.300 . 1 . . . . 35 PHE CZ . 11364 1 436 . 1 1 35 35 PHE N N 15 113.059 0.300 . 1 . . . . 35 PHE N . 11364 1 437 . 1 1 36 36 ASN H H 1 7.571 0.030 . 1 . . . . 36 ASN H . 11364 1 438 . 1 1 36 36 ASN HA H 1 4.244 0.030 . 1 . . . . 36 ASN HA . 11364 1 439 . 1 1 36 36 ASN HB2 H 1 3.141 0.030 . 2 . . . . 36 ASN HB2 . 11364 1 440 . 1 1 36 36 ASN HB3 H 1 2.940 0.030 . 2 . . . . 36 ASN HB3 . 11364 1 441 . 1 1 36 36 ASN HD21 H 1 7.923 0.030 . 2 . . . . 36 ASN HD21 . 11364 1 442 . 1 1 36 36 ASN HD22 H 1 7.099 0.030 . 2 . . . . 36 ASN HD22 . 11364 1 443 . 1 1 36 36 ASN C C 13 175.813 0.300 . 1 . . . . 36 ASN C . 11364 1 444 . 1 1 36 36 ASN CA C 13 55.763 0.300 . 1 . . . . 36 ASN CA . 11364 1 445 . 1 1 36 36 ASN CB C 13 36.662 0.300 . 1 . . . . 36 ASN CB . 11364 1 446 . 1 1 36 36 ASN N N 15 121.516 0.300 . 1 . . . . 36 ASN N . 11364 1 447 . 1 1 36 36 ASN ND2 N 15 110.369 0.300 . 1 . . . . 36 ASN ND2 . 11364 1 448 . 1 1 37 37 PHE H H 1 7.508 0.030 . 1 . . . . 37 PHE H . 11364 1 449 . 1 1 37 37 PHE HA H 1 4.529 0.030 . 1 . . . . 37 PHE HA . 11364 1 450 . 1 1 37 37 PHE HB2 H 1 2.970 0.030 . 1 . . . . 37 PHE HB2 . 11364 1 451 . 1 1 37 37 PHE HB3 H 1 2.970 0.030 . 1 . . . . 37 PHE HB3 . 11364 1 452 . 1 1 37 37 PHE HD1 H 1 6.920 0.030 . 1 . . . . 37 PHE HD1 . 11364 1 453 . 1 1 37 37 PHE HD2 H 1 6.920 0.030 . 1 . . . . 37 PHE HD2 . 11364 1 454 . 1 1 37 37 PHE HE1 H 1 7.239 0.030 . 1 . . . . 37 PHE HE1 . 11364 1 455 . 1 1 37 37 PHE HE2 H 1 7.239 0.030 . 1 . . . . 37 PHE HE2 . 11364 1 456 . 1 1 37 37 PHE HZ H 1 7.239 0.030 . 1 . . . . 37 PHE HZ . 11364 1 457 . 1 1 37 37 PHE C C 13 174.930 0.300 . 1 . . . . 37 PHE C . 11364 1 458 . 1 1 37 37 PHE CA C 13 58.695 0.300 . 1 . . . . 37 PHE CA . 11364 1 459 . 1 1 37 37 PHE CB C 13 38.050 0.300 . 1 . . . . 37 PHE CB . 11364 1 460 . 1 1 37 37 PHE CD1 C 13 132.549 0.300 . 1 . . . . 37 PHE CD1 . 11364 1 461 . 1 1 37 37 PHE CD2 C 13 132.549 0.300 . 1 . . . . 37 PHE CD2 . 11364 1 462 . 1 1 37 37 PHE CE1 C 13 129.297 0.300 . 1 . . . . 37 PHE CE1 . 11364 1 463 . 1 1 37 37 PHE CE2 C 13 129.297 0.300 . 1 . . . . 37 PHE CE2 . 11364 1 464 . 1 1 37 37 PHE N N 15 113.991 0.300 . 1 . . . . 37 PHE N . 11364 1 465 . 1 1 38 38 LEU H H 1 6.947 0.030 . 1 . . . . 38 LEU H . 11364 1 466 . 1 1 38 38 LEU HA H 1 3.760 0.030 . 1 . . . . 38 LEU HA . 11364 1 467 . 1 1 38 38 LEU HB2 H 1 1.683 0.030 . 2 . . . . 38 LEU HB2 . 11364 1 468 . 1 1 38 38 LEU HB3 H 1 1.194 0.030 . 2 . . . . 38 LEU HB3 . 11364 1 469 . 1 1 38 38 LEU HD11 H 1 0.706 0.030 . 1 . . . . 38 LEU HD1 . 11364 1 470 . 1 1 38 38 LEU HD12 H 1 0.706 0.030 . 1 . . . . 38 LEU HD1 . 11364 1 471 . 1 1 38 38 LEU HD13 H 1 0.706 0.030 . 1 . . . . 38 LEU HD1 . 11364 1 472 . 1 1 38 38 LEU HD21 H 1 0.343 0.030 . 1 . . . . 38 LEU HD2 . 11364 1 473 . 1 1 38 38 LEU HD22 H 1 0.343 0.030 . 1 . . . . 38 LEU HD2 . 11364 1 474 . 1 1 38 38 LEU HD23 H 1 0.343 0.030 . 1 . . . . 38 LEU HD2 . 11364 1 475 . 1 1 38 38 LEU HG H 1 0.551 0.030 . 1 . . . . 38 LEU HG . 11364 1 476 . 1 1 38 38 LEU C C 13 176.525 0.300 . 1 . . . . 38 LEU C . 11364 1 477 . 1 1 38 38 LEU CA C 13 55.540 0.300 . 1 . . . . 38 LEU CA . 11364 1 478 . 1 1 38 38 LEU CB C 13 41.980 0.300 . 1 . . . . 38 LEU CB . 11364 1 479 . 1 1 38 38 LEU CD1 C 13 26.362 0.300 . 2 . . . . 38 LEU CD1 . 11364 1 480 . 1 1 38 38 LEU CD2 C 13 23.716 0.300 . 2 . . . . 38 LEU CD2 . 11364 1 481 . 1 1 38 38 LEU CG C 13 25.604 0.300 . 1 . . . . 38 LEU CG . 11364 1 482 . 1 1 38 38 LEU N N 15 119.456 0.300 . 1 . . . . 38 LEU N . 11364 1 483 . 1 1 39 39 ASN H H 1 8.329 0.030 . 1 . . . . 39 ASN H . 11364 1 484 . 1 1 39 39 ASN HA H 1 4.647 0.030 . 1 . . . . 39 ASN HA . 11364 1 485 . 1 1 39 39 ASN HB2 H 1 2.862 0.030 . 2 . . . . 39 ASN HB2 . 11364 1 486 . 1 1 39 39 ASN HB3 H 1 3.105 0.030 . 2 . . . . 39 ASN HB3 . 11364 1 487 . 1 1 39 39 ASN HD21 H 1 7.157 0.030 . 2 . . . . 39 ASN HD21 . 11364 1 488 . 1 1 39 39 ASN HD22 H 1 7.890 0.030 . 2 . . . . 39 ASN HD22 . 11364 1 489 . 1 1 39 39 ASN C C 13 174.271 0.300 . 1 . . . . 39 ASN C . 11364 1 490 . 1 1 39 39 ASN CA C 13 50.554 0.300 . 1 . . . . 39 ASN CA . 11364 1 491 . 1 1 39 39 ASN CB C 13 38.818 0.300 . 1 . . . . 39 ASN CB . 11364 1 492 . 1 1 39 39 ASN N N 15 121.816 0.300 . 1 . . . . 39 ASN N . 11364 1 493 . 1 1 39 39 ASN ND2 N 15 114.522 0.300 . 1 . . . . 39 ASN ND2 . 11364 1 494 . 1 1 40 40 PRO HA H 1 2.910 0.030 . 1 . . . . 40 PRO HA . 11364 1 495 . 1 1 40 40 PRO HB2 H 1 2.001 0.030 . 2 . . . . 40 PRO HB2 . 11364 1 496 . 1 1 40 40 PRO HB3 H 1 1.681 0.030 . 2 . . . . 40 PRO HB3 . 11364 1 497 . 1 1 40 40 PRO HD2 H 1 3.779 0.030 . 2 . . . . 40 PRO HD2 . 11364 1 498 . 1 1 40 40 PRO HD3 H 1 3.577 0.030 . 2 . . . . 40 PRO HD3 . 11364 1 499 . 1 1 40 40 PRO HG2 H 1 1.870 0.030 . 2 . . . . 40 PRO HG2 . 11364 1 500 . 1 1 40 40 PRO HG3 H 1 1.746 0.030 . 2 . . . . 40 PRO HG3 . 11364 1 501 . 1 1 40 40 PRO C C 13 176.386 0.300 . 1 . . . . 40 PRO C . 11364 1 502 . 1 1 40 40 PRO CA C 13 63.203 0.300 . 1 . . . . 40 PRO CA . 11364 1 503 . 1 1 40 40 PRO CB C 13 31.791 0.300 . 1 . . . . 40 PRO CB . 11364 1 504 . 1 1 40 40 PRO CD C 13 50.574 0.300 . 1 . . . . 40 PRO CD . 11364 1 505 . 1 1 40 40 PRO CG C 13 27.380 0.300 . 1 . . . . 40 PRO CG . 11364 1 506 . 1 1 41 41 ASN H H 1 8.151 0.030 . 1 . . . . 41 ASN H . 11364 1 507 . 1 1 41 41 ASN HA H 1 4.651 0.030 . 1 . . . . 41 ASN HA . 11364 1 508 . 1 1 41 41 ASN HB2 H 1 2.786 0.030 . 2 . . . . 41 ASN HB2 . 11364 1 509 . 1 1 41 41 ASN HB3 H 1 2.693 0.030 . 2 . . . . 41 ASN HB3 . 11364 1 510 . 1 1 41 41 ASN HD21 H 1 7.625 0.030 . 2 . . . . 41 ASN HD21 . 11364 1 511 . 1 1 41 41 ASN HD22 H 1 6.982 0.030 . 2 . . . . 41 ASN HD22 . 11364 1 512 . 1 1 41 41 ASN C C 13 175.395 0.300 . 1 . . . . 41 ASN C . 11364 1 513 . 1 1 41 41 ASN CA C 13 52.725 0.300 . 1 . . . . 41 ASN CA . 11364 1 514 . 1 1 41 41 ASN CB C 13 38.361 0.300 . 1 . . . . 41 ASN CB . 11364 1 515 . 1 1 41 41 ASN N N 15 113.031 0.300 . 1 . . . . 41 ASN N . 11364 1 516 . 1 1 41 41 ASN ND2 N 15 113.218 0.300 . 1 . . . . 41 ASN ND2 . 11364 1 517 . 1 1 42 42 ASP H H 1 8.339 0.030 . 1 . . . . 42 ASP H . 11364 1 518 . 1 1 42 42 ASP HA H 1 4.748 0.030 . 1 . . . . 42 ASP HA . 11364 1 519 . 1 1 42 42 ASP HB2 H 1 2.964 0.030 . 2 . . . . 42 ASP HB2 . 11364 1 520 . 1 1 42 42 ASP HB3 H 1 2.841 0.030 . 2 . . . . 42 ASP HB3 . 11364 1 521 . 1 1 42 42 ASP C C 13 176.716 0.300 . 1 . . . . 42 ASP C . 11364 1 522 . 1 1 42 42 ASP CA C 13 53.921 0.300 . 1 . . . . 42 ASP CA . 11364 1 523 . 1 1 42 42 ASP CB C 13 46.561 0.300 . 1 . . . . 42 ASP CB . 11364 1 524 . 1 1 42 42 ASP N N 15 125.135 0.300 . 1 . . . . 42 ASP N . 11364 1 525 . 1 1 43 43 PRO HA H 1 4.433 0.030 . 1 . . . . 43 PRO HA . 11364 1 526 . 1 1 43 43 PRO HB2 H 1 2.341 0.030 . 2 . . . . 43 PRO HB2 . 11364 1 527 . 1 1 43 43 PRO HB3 H 1 1.739 0.030 . 2 . . . . 43 PRO HB3 . 11364 1 528 . 1 1 43 43 PRO HD2 H 1 3.860 0.030 . 1 . . . . 43 PRO HD2 . 11364 1 529 . 1 1 43 43 PRO HD3 H 1 3.860 0.030 . 1 . . . . 43 PRO HD3 . 11364 1 530 . 1 1 43 43 PRO HG2 H 1 2.029 0.030 . 1 . . . . 43 PRO HG2 . 11364 1 531 . 1 1 43 43 PRO HG3 H 1 2.029 0.030 . 1 . . . . 43 PRO HG3 . 11364 1 532 . 1 1 43 43 PRO C C 13 177.420 0.300 . 1 . . . . 43 PRO C . 11364 1 533 . 1 1 43 43 PRO CA C 13 65.023 0.300 . 1 . . . . 43 PRO CA . 11364 1 534 . 1 1 43 43 PRO CB C 13 32.340 0.300 . 1 . . . . 43 PRO CB . 11364 1 535 . 1 1 43 43 PRO CD C 13 51.526 0.300 . 1 . . . . 43 PRO CD . 11364 1 536 . 1 1 43 43 PRO CG C 13 27.543 0.300 . 1 . . . . 43 PRO CG . 11364 1 537 . 1 1 44 44 TYR H H 1 9.525 0.030 . 1 . . . . 44 TYR H . 11364 1 538 . 1 1 44 44 TYR HA H 1 4.823 0.030 . 1 . . . . 44 TYR HA . 11364 1 539 . 1 1 44 44 TYR HB2 H 1 3.329 0.030 . 2 . . . . 44 TYR HB2 . 11364 1 540 . 1 1 44 44 TYR HB3 H 1 3.080 0.030 . 2 . . . . 44 TYR HB3 . 11364 1 541 . 1 1 44 44 TYR HD1 H 1 7.151 0.030 . 1 . . . . 44 TYR HD1 . 11364 1 542 . 1 1 44 44 TYR HD2 H 1 7.151 0.030 . 1 . . . . 44 TYR HD2 . 11364 1 543 . 1 1 44 44 TYR HE1 H 1 6.599 0.030 . 1 . . . . 44 TYR HE1 . 11364 1 544 . 1 1 44 44 TYR HE2 H 1 6.599 0.030 . 1 . . . . 44 TYR HE2 . 11364 1 545 . 1 1 44 44 TYR C C 13 176.423 0.300 . 1 . . . . 44 TYR C . 11364 1 546 . 1 1 44 44 TYR CA C 13 58.663 0.300 . 1 . . . . 44 TYR CA . 11364 1 547 . 1 1 44 44 TYR CB C 13 38.783 0.300 . 1 . . . . 44 TYR CB . 11364 1 548 . 1 1 44 44 TYR CD1 C 13 132.395 0.300 . 1 . . . . 44 TYR CD1 . 11364 1 549 . 1 1 44 44 TYR CD2 C 13 132.395 0.300 . 1 . . . . 44 TYR CD2 . 11364 1 550 . 1 1 44 44 TYR CE1 C 13 118.116 0.300 . 1 . . . . 44 TYR CE1 . 11364 1 551 . 1 1 44 44 TYR CE2 C 13 118.116 0.300 . 1 . . . . 44 TYR CE2 . 11364 1 552 . 1 1 44 44 TYR N N 15 118.002 0.300 . 1 . . . . 44 TYR N . 11364 1 553 . 1 1 45 45 HIS H H 1 8.489 0.030 . 1 . . . . 45 HIS H . 11364 1 554 . 1 1 45 45 HIS HA H 1 4.750 0.030 . 1 . . . . 45 HIS HA . 11364 1 555 . 1 1 45 45 HIS HB2 H 1 3.610 0.030 . 2 . . . . 45 HIS HB2 . 11364 1 556 . 1 1 45 45 HIS HB3 H 1 3.240 0.030 . 2 . . . . 45 HIS HB3 . 11364 1 557 . 1 1 45 45 HIS HD2 H 1 7.000 0.030 . 1 . . . . 45 HIS HD2 . 11364 1 558 . 1 1 45 45 HIS HE1 H 1 7.610 0.030 . 1 . . . . 45 HIS HE1 . 11364 1 559 . 1 1 45 45 HIS C C 13 177.062 0.300 . 1 . . . . 45 HIS C . 11364 1 560 . 1 1 45 45 HIS CA C 13 61.128 0.300 . 1 . . . . 45 HIS CA . 11364 1 561 . 1 1 45 45 HIS CB C 13 29.146 0.300 . 1 . . . . 45 HIS CB . 11364 1 562 . 1 1 45 45 HIS CD2 C 13 128.277 0.300 . 1 . . . . 45 HIS CD2 . 11364 1 563 . 1 1 45 45 HIS CE1 C 13 137.773 0.300 . 1 . . . . 45 HIS CE1 . 11364 1 564 . 1 1 45 45 HIS N N 15 122.164 0.300 . 1 . . . . 45 HIS N . 11364 1 565 . 1 1 46 46 ALA H H 1 8.817 0.030 . 1 . . . . 46 ALA H . 11364 1 566 . 1 1 46 46 ALA HA H 1 4.091 0.030 . 1 . . . . 46 ALA HA . 11364 1 567 . 1 1 46 46 ALA HB1 H 1 1.478 0.030 . 1 . . . . 46 ALA HB . 11364 1 568 . 1 1 46 46 ALA HB2 H 1 1.478 0.030 . 1 . . . . 46 ALA HB . 11364 1 569 . 1 1 46 46 ALA HB3 H 1 1.478 0.030 . 1 . . . . 46 ALA HB . 11364 1 570 . 1 1 46 46 ALA C C 13 180.654 0.300 . 1 . . . . 46 ALA C . 11364 1 571 . 1 1 46 46 ALA CA C 13 55.582 0.300 . 1 . . . . 46 ALA CA . 11364 1 572 . 1 1 46 46 ALA CB C 13 17.364 0.300 . 1 . . . . 46 ALA CB . 11364 1 573 . 1 1 46 46 ALA N N 15 120.140 0.300 . 1 . . . . 46 ALA N . 11364 1 574 . 1 1 47 47 TYR H H 1 8.388 0.030 . 1 . . . . 47 TYR H . 11364 1 575 . 1 1 47 47 TYR HA H 1 4.153 0.030 . 1 . . . . 47 TYR HA . 11364 1 576 . 1 1 47 47 TYR HB2 H 1 3.180 0.030 . 2 . . . . 47 TYR HB2 . 11364 1 577 . 1 1 47 47 TYR HB3 H 1 2.990 0.030 . 2 . . . . 47 TYR HB3 . 11364 1 578 . 1 1 47 47 TYR HD1 H 1 7.022 0.030 . 1 . . . . 47 TYR HD1 . 11364 1 579 . 1 1 47 47 TYR HD2 H 1 7.022 0.030 . 1 . . . . 47 TYR HD2 . 11364 1 580 . 1 1 47 47 TYR HE1 H 1 6.780 0.030 . 1 . . . . 47 TYR HE1 . 11364 1 581 . 1 1 47 47 TYR HE2 H 1 6.780 0.030 . 1 . . . . 47 TYR HE2 . 11364 1 582 . 1 1 47 47 TYR C C 13 177.058 0.300 . 1 . . . . 47 TYR C . 11364 1 583 . 1 1 47 47 TYR CA C 13 61.388 0.300 . 1 . . . . 47 TYR CA . 11364 1 584 . 1 1 47 47 TYR CB C 13 37.907 0.300 . 1 . . . . 47 TYR CB . 11364 1 585 . 1 1 47 47 TYR CD1 C 13 133.002 0.300 . 1 . . . . 47 TYR CD1 . 11364 1 586 . 1 1 47 47 TYR CD2 C 13 133.002 0.300 . 1 . . . . 47 TYR CD2 . 11364 1 587 . 1 1 47 47 TYR CE1 C 13 118.574 0.300 . 1 . . . . 47 TYR CE1 . 11364 1 588 . 1 1 47 47 TYR CE2 C 13 118.574 0.300 . 1 . . . . 47 TYR CE2 . 11364 1 589 . 1 1 47 47 TYR N N 15 121.599 0.300 . 1 . . . . 47 TYR N . 11364 1 590 . 1 1 48 48 TYR H H 1 8.094 0.030 . 1 . . . . 48 TYR H . 11364 1 591 . 1 1 48 48 TYR HA H 1 3.720 0.030 . 1 . . . . 48 TYR HA . 11364 1 592 . 1 1 48 48 TYR HB2 H 1 3.388 0.030 . 2 . . . . 48 TYR HB2 . 11364 1 593 . 1 1 48 48 TYR HB3 H 1 3.130 0.030 . 2 . . . . 48 TYR HB3 . 11364 1 594 . 1 1 48 48 TYR HD1 H 1 7.124 0.030 . 3 . . . . 48 TYR HD1 . 11364 1 595 . 1 1 48 48 TYR HD2 H 1 6.486 0.030 . 3 . . . . 48 TYR HD2 . 11364 1 596 . 1 1 48 48 TYR HE1 H 1 6.854 0.030 . 3 . . . . 48 TYR HE1 . 11364 1 597 . 1 1 48 48 TYR HE2 H 1 6.370 0.030 . 3 . . . . 48 TYR HE2 . 11364 1 598 . 1 1 48 48 TYR C C 13 175.988 0.300 . 1 . . . . 48 TYR C . 11364 1 599 . 1 1 48 48 TYR CA C 13 61.503 0.300 . 1 . . . . 48 TYR CA . 11364 1 600 . 1 1 48 48 TYR CB C 13 37.393 0.300 . 1 . . . . 48 TYR CB . 11364 1 601 . 1 1 48 48 TYR CD1 C 13 132.916 0.300 . 3 . . . . 48 TYR CD1 . 11364 1 602 . 1 1 48 48 TYR CD2 C 13 133.456 0.300 . 3 . . . . 48 TYR CD2 . 11364 1 603 . 1 1 48 48 TYR CE1 C 13 117.567 0.300 . 3 . . . . 48 TYR CE1 . 11364 1 604 . 1 1 48 48 TYR CE2 C 13 117.279 0.300 . 3 . . . . 48 TYR CE2 . 11364 1 605 . 1 1 48 48 TYR N N 15 120.922 0.300 . 1 . . . . 48 TYR N . 11364 1 606 . 1 1 49 49 ARG H H 1 8.799 0.030 . 1 . . . . 49 ARG H . 11364 1 607 . 1 1 49 49 ARG HA H 1 3.270 0.030 . 1 . . . . 49 ARG HA . 11364 1 608 . 1 1 49 49 ARG HB2 H 1 1.984 0.030 . 2 . . . . 49 ARG HB2 . 11364 1 609 . 1 1 49 49 ARG HB3 H 1 1.668 0.030 . 2 . . . . 49 ARG HB3 . 11364 1 610 . 1 1 49 49 ARG HD2 H 1 3.322 0.030 . 2 . . . . 49 ARG HD2 . 11364 1 611 . 1 1 49 49 ARG HD3 H 1 3.166 0.030 . 2 . . . . 49 ARG HD3 . 11364 1 612 . 1 1 49 49 ARG HE H 1 7.581 0.030 . 1 . . . . 49 ARG HE . 11364 1 613 . 1 1 49 49 ARG HG2 H 1 1.641 0.030 . 2 . . . . 49 ARG HG2 . 11364 1 614 . 1 1 49 49 ARG HG3 H 1 1.190 0.030 . 2 . . . . 49 ARG HG3 . 11364 1 615 . 1 1 49 49 ARG C C 13 179.743 0.300 . 1 . . . . 49 ARG C . 11364 1 616 . 1 1 49 49 ARG CA C 13 58.876 0.300 . 1 . . . . 49 ARG CA . 11364 1 617 . 1 1 49 49 ARG CB C 13 29.688 0.300 . 1 . . . . 49 ARG CB . 11364 1 618 . 1 1 49 49 ARG CD C 13 43.562 0.300 . 1 . . . . 49 ARG CD . 11364 1 619 . 1 1 49 49 ARG CG C 13 26.773 0.300 . 1 . . . . 49 ARG CG . 11364 1 620 . 1 1 49 49 ARG N N 15 118.426 0.300 . 1 . . . . 49 ARG N . 11364 1 621 . 1 1 50 50 HIS H H 1 8.060 0.030 . 1 . . . . 50 HIS H . 11364 1 622 . 1 1 50 50 HIS HA H 1 4.201 0.030 . 1 . . . . 50 HIS HA . 11364 1 623 . 1 1 50 50 HIS HB2 H 1 3.210 0.030 . 2 . . . . 50 HIS HB2 . 11364 1 624 . 1 1 50 50 HIS HB3 H 1 3.060 0.030 . 2 . . . . 50 HIS HB3 . 11364 1 625 . 1 1 50 50 HIS HD2 H 1 6.739 0.030 . 1 . . . . 50 HIS HD2 . 11364 1 626 . 1 1 50 50 HIS HE1 H 1 7.885 0.030 . 1 . . . . 50 HIS HE1 . 11364 1 627 . 1 1 50 50 HIS C C 13 177.073 0.300 . 1 . . . . 50 HIS C . 11364 1 628 . 1 1 50 50 HIS CA C 13 59.164 0.300 . 1 . . . . 50 HIS CA . 11364 1 629 . 1 1 50 50 HIS CB C 13 28.998 0.300 . 1 . . . . 50 HIS CB . 11364 1 630 . 1 1 50 50 HIS CD2 C 13 119.448 0.300 . 1 . . . . 50 HIS CD2 . 11364 1 631 . 1 1 50 50 HIS CE1 C 13 137.727 0.300 . 1 . . . . 50 HIS CE1 . 11364 1 632 . 1 1 50 50 HIS N N 15 119.723 0.300 . 1 . . . . 50 HIS N . 11364 1 633 . 1 1 51 51 LYS H H 1 8.081 0.030 . 1 . . . . 51 LYS H . 11364 1 634 . 1 1 51 51 LYS HA H 1 3.541 0.030 . 1 . . . . 51 LYS HA . 11364 1 635 . 1 1 51 51 LYS HB2 H 1 1.548 0.030 . 2 . . . . 51 LYS HB2 . 11364 1 636 . 1 1 51 51 LYS HB3 H 1 1.368 0.030 . 2 . . . . 51 LYS HB3 . 11364 1 637 . 1 1 51 51 LYS HD2 H 1 1.309 0.030 . 2 . . . . 51 LYS HD2 . 11364 1 638 . 1 1 51 51 LYS HD3 H 1 1.185 0.030 . 2 . . . . 51 LYS HD3 . 11364 1 639 . 1 1 51 51 LYS HE2 H 1 2.589 0.030 . 2 . . . . 51 LYS HE2 . 11364 1 640 . 1 1 51 51 LYS HE3 H 1 2.479 0.030 . 2 . . . . 51 LYS HE3 . 11364 1 641 . 1 1 51 51 LYS HG2 H 1 1.151 0.030 . 2 . . . . 51 LYS HG2 . 11364 1 642 . 1 1 51 51 LYS HG3 H 1 1.010 0.030 . 2 . . . . 51 LYS HG3 . 11364 1 643 . 1 1 51 51 LYS C C 13 178.198 0.300 . 1 . . . . 51 LYS C . 11364 1 644 . 1 1 51 51 LYS CA C 13 56.506 0.300 . 1 . . . . 51 LYS CA . 11364 1 645 . 1 1 51 51 LYS CB C 13 29.296 0.300 . 1 . . . . 51 LYS CB . 11364 1 646 . 1 1 51 51 LYS CD C 13 26.258 0.300 . 1 . . . . 51 LYS CD . 11364 1 647 . 1 1 51 51 LYS CE C 13 41.191 0.300 . 1 . . . . 51 LYS CE . 11364 1 648 . 1 1 51 51 LYS CG C 13 22.831 0.300 . 1 . . . . 51 LYS CG . 11364 1 649 . 1 1 51 51 LYS N N 15 120.744 0.300 . 1 . . . . 51 LYS N . 11364 1 650 . 1 1 52 52 VAL H H 1 8.210 0.030 . 1 . . . . 52 VAL H . 11364 1 651 . 1 1 52 52 VAL HA H 1 3.373 0.030 . 1 . . . . 52 VAL HA . 11364 1 652 . 1 1 52 52 VAL HB H 1 1.840 0.030 . 1 . . . . 52 VAL HB . 11364 1 653 . 1 1 52 52 VAL HG11 H 1 0.580 0.030 . 1 . . . . 52 VAL HG1 . 11364 1 654 . 1 1 52 52 VAL HG12 H 1 0.580 0.030 . 1 . . . . 52 VAL HG1 . 11364 1 655 . 1 1 52 52 VAL HG13 H 1 0.580 0.030 . 1 . . . . 52 VAL HG1 . 11364 1 656 . 1 1 52 52 VAL HG21 H 1 0.773 0.030 . 1 . . . . 52 VAL HG2 . 11364 1 657 . 1 1 52 52 VAL HG22 H 1 0.773 0.030 . 1 . . . . 52 VAL HG2 . 11364 1 658 . 1 1 52 52 VAL HG23 H 1 0.773 0.030 . 1 . . . . 52 VAL HG2 . 11364 1 659 . 1 1 52 52 VAL C C 13 177.963 0.300 . 1 . . . . 52 VAL C . 11364 1 660 . 1 1 52 52 VAL CA C 13 67.521 0.300 . 1 . . . . 52 VAL CA . 11364 1 661 . 1 1 52 52 VAL CB C 13 31.653 0.300 . 1 . . . . 52 VAL CB . 11364 1 662 . 1 1 52 52 VAL CG1 C 13 22.571 0.300 . 2 . . . . 52 VAL CG1 . 11364 1 663 . 1 1 52 52 VAL CG2 C 13 21.683 0.300 . 2 . . . . 52 VAL CG2 . 11364 1 664 . 1 1 52 52 VAL N N 15 119.714 0.300 . 1 . . . . 52 VAL N . 11364 1 665 . 1 1 53 53 SER H H 1 7.359 0.030 . 1 . . . . 53 SER H . 11364 1 666 . 1 1 53 53 SER HA H 1 4.019 0.030 . 1 . . . . 53 SER HA . 11364 1 667 . 1 1 53 53 SER HB2 H 1 3.847 0.030 . 1 . . . . 53 SER HB2 . 11364 1 668 . 1 1 53 53 SER HB3 H 1 3.847 0.030 . 1 . . . . 53 SER HB3 . 11364 1 669 . 1 1 53 53 SER C C 13 176.116 0.300 . 1 . . . . 53 SER C . 11364 1 670 . 1 1 53 53 SER CA C 13 61.895 0.300 . 1 . . . . 53 SER CA . 11364 1 671 . 1 1 53 53 SER CB C 13 62.545 0.300 . 1 . . . . 53 SER CB . 11364 1 672 . 1 1 53 53 SER N N 15 113.115 0.300 . 1 . . . . 53 SER N . 11364 1 673 . 1 1 54 54 GLU H H 1 8.010 0.030 . 1 . . . . 54 GLU H . 11364 1 674 . 1 1 54 54 GLU HA H 1 3.769 0.030 . 1 . . . . 54 GLU HA . 11364 1 675 . 1 1 54 54 GLU HB2 H 1 1.650 0.030 . 2 . . . . 54 GLU HB2 . 11364 1 676 . 1 1 54 54 GLU HB3 H 1 1.543 0.030 . 2 . . . . 54 GLU HB3 . 11364 1 677 . 1 1 54 54 GLU HG2 H 1 1.931 0.030 . 2 . . . . 54 GLU HG2 . 11364 1 678 . 1 1 54 54 GLU HG3 H 1 1.659 0.030 . 2 . . . . 54 GLU HG3 . 11364 1 679 . 1 1 54 54 GLU C C 13 179.738 0.300 . 1 . . . . 54 GLU C . 11364 1 680 . 1 1 54 54 GLU CA C 13 59.317 0.300 . 1 . . . . 54 GLU CA . 11364 1 681 . 1 1 54 54 GLU CB C 13 30.098 0.300 . 1 . . . . 54 GLU CB . 11364 1 682 . 1 1 54 54 GLU CG C 13 36.185 0.300 . 1 . . . . 54 GLU CG . 11364 1 683 . 1 1 54 54 GLU N N 15 122.288 0.300 . 1 . . . . 54 GLU N . 11364 1 684 . 1 1 55 55 PHE H H 1 8.281 0.030 . 1 . . . . 55 PHE H . 11364 1 685 . 1 1 55 55 PHE HA H 1 4.470 0.030 . 1 . . . . 55 PHE HA . 11364 1 686 . 1 1 55 55 PHE HB2 H 1 3.170 0.030 . 2 . . . . 55 PHE HB2 . 11364 1 687 . 1 1 55 55 PHE HB3 H 1 2.809 0.030 . 2 . . . . 55 PHE HB3 . 11364 1 688 . 1 1 55 55 PHE HD1 H 1 7.079 0.030 . 1 . . . . 55 PHE HD1 . 11364 1 689 . 1 1 55 55 PHE HD2 H 1 7.079 0.030 . 1 . . . . 55 PHE HD2 . 11364 1 690 . 1 1 55 55 PHE HE1 H 1 7.251 0.030 . 1 . . . . 55 PHE HE1 . 11364 1 691 . 1 1 55 55 PHE HE2 H 1 7.251 0.030 . 1 . . . . 55 PHE HE2 . 11364 1 692 . 1 1 55 55 PHE HZ H 1 7.168 0.030 . 1 . . . . 55 PHE HZ . 11364 1 693 . 1 1 55 55 PHE C C 13 179.211 0.300 . 1 . . . . 55 PHE C . 11364 1 694 . 1 1 55 55 PHE CA C 13 60.405 0.300 . 1 . . . . 55 PHE CA . 11364 1 695 . 1 1 55 55 PHE CB C 13 38.660 0.300 . 1 . . . . 55 PHE CB . 11364 1 696 . 1 1 55 55 PHE CD1 C 13 131.332 0.300 . 1 . . . . 55 PHE CD1 . 11364 1 697 . 1 1 55 55 PHE CD2 C 13 131.332 0.300 . 1 . . . . 55 PHE CD2 . 11364 1 698 . 1 1 55 55 PHE CE1 C 13 131.334 0.300 . 1 . . . . 55 PHE CE1 . 11364 1 699 . 1 1 55 55 PHE CE2 C 13 131.334 0.300 . 1 . . . . 55 PHE CE2 . 11364 1 700 . 1 1 55 55 PHE CZ C 13 129.529 0.300 . 1 . . . . 55 PHE CZ . 11364 1 701 . 1 1 55 55 PHE N N 15 117.810 0.300 . 1 . . . . 55 PHE N . 11364 1 702 . 1 1 56 56 LYS H H 1 8.473 0.030 . 1 . . . . 56 LYS H . 11364 1 703 . 1 1 56 56 LYS HA H 1 4.029 0.030 . 1 . . . . 56 LYS HA . 11364 1 704 . 1 1 56 56 LYS HB2 H 1 1.934 0.030 . 1 . . . . 56 LYS HB2 . 11364 1 705 . 1 1 56 56 LYS HB3 H 1 1.934 0.030 . 1 . . . . 56 LYS HB3 . 11364 1 706 . 1 1 56 56 LYS HD2 H 1 1.719 0.030 . 2 . . . . 56 LYS HD2 . 11364 1 707 . 1 1 56 56 LYS HD3 H 1 1.666 0.030 . 2 . . . . 56 LYS HD3 . 11364 1 708 . 1 1 56 56 LYS HE2 H 1 2.968 0.030 . 1 . . . . 56 LYS HE2 . 11364 1 709 . 1 1 56 56 LYS HE3 H 1 2.968 0.030 . 1 . . . . 56 LYS HE3 . 11364 1 710 . 1 1 56 56 LYS HG2 H 1 1.709 0.030 . 2 . . . . 56 LYS HG2 . 11364 1 711 . 1 1 56 56 LYS HG3 H 1 1.457 0.030 . 2 . . . . 56 LYS HG3 . 11364 1 712 . 1 1 56 56 LYS C C 13 177.988 0.300 . 1 . . . . 56 LYS C . 11364 1 713 . 1 1 56 56 LYS CA C 13 59.336 0.300 . 1 . . . . 56 LYS CA . 11364 1 714 . 1 1 56 56 LYS CB C 13 32.641 0.300 . 1 . . . . 56 LYS CB . 11364 1 715 . 1 1 56 56 LYS CD C 13 29.264 0.300 . 1 . . . . 56 LYS CD . 11364 1 716 . 1 1 56 56 LYS CE C 13 41.682 0.300 . 1 . . . . 56 LYS CE . 11364 1 717 . 1 1 56 56 LYS CG C 13 25.414 0.300 . 1 . . . . 56 LYS CG . 11364 1 718 . 1 1 56 56 LYS N N 15 121.906 0.300 . 1 . . . . 56 LYS N . 11364 1 719 . 1 1 57 57 GLU H H 1 7.947 0.030 . 1 . . . . 57 GLU H . 11364 1 720 . 1 1 57 57 GLU HA H 1 4.207 0.030 . 1 . . . . 57 GLU HA . 11364 1 721 . 1 1 57 57 GLU HB2 H 1 2.099 0.030 . 2 . . . . 57 GLU HB2 . 11364 1 722 . 1 1 57 57 GLU HB3 H 1 1.961 0.030 . 2 . . . . 57 GLU HB3 . 11364 1 723 . 1 1 57 57 GLU HG2 H 1 2.371 0.030 . 2 . . . . 57 GLU HG2 . 11364 1 724 . 1 1 57 57 GLU HG3 H 1 2.270 0.030 . 2 . . . . 57 GLU HG3 . 11364 1 725 . 1 1 57 57 GLU C C 13 177.206 0.300 . 1 . . . . 57 GLU C . 11364 1 726 . 1 1 57 57 GLU CA C 13 56.896 0.300 . 1 . . . . 57 GLU CA . 11364 1 727 . 1 1 57 57 GLU CB C 13 29.994 0.300 . 1 . . . . 57 GLU CB . 11364 1 728 . 1 1 57 57 GLU CG C 13 36.257 0.300 . 1 . . . . 57 GLU CG . 11364 1 729 . 1 1 57 57 GLU N N 15 117.296 0.300 . 1 . . . . 57 GLU N . 11364 1 730 . 1 1 58 58 GLY H H 1 7.885 0.030 . 1 . . . . 58 GLY H . 11364 1 731 . 1 1 58 58 GLY HA2 H 1 3.959 0.030 . 1 . . . . 58 GLY HA2 . 11364 1 732 . 1 1 58 58 GLY HA3 H 1 3.959 0.030 . 1 . . . . 58 GLY HA3 . 11364 1 733 . 1 1 58 58 GLY C C 13 174.587 0.300 . 1 . . . . 58 GLY C . 11364 1 734 . 1 1 58 58 GLY CA C 13 45.862 0.300 . 1 . . . . 58 GLY CA . 11364 1 735 . 1 1 58 58 GLY N N 15 107.781 0.300 . 1 . . . . 58 GLY N . 11364 1 736 . 1 1 59 59 LYS H H 1 8.070 0.030 . 1 . . . . 59 LYS H . 11364 1 737 . 1 1 59 59 LYS HA H 1 4.230 0.030 . 1 . . . . 59 LYS HA . 11364 1 738 . 1 1 59 59 LYS HB2 H 1 1.800 0.030 . 2 . . . . 59 LYS HB2 . 11364 1 739 . 1 1 59 59 LYS HB3 H 1 1.599 0.030 . 2 . . . . 59 LYS HB3 . 11364 1 740 . 1 1 59 59 LYS HD2 H 1 1.591 0.030 . 1 . . . . 59 LYS HD2 . 11364 1 741 . 1 1 59 59 LYS HD3 H 1 1.591 0.030 . 1 . . . . 59 LYS HD3 . 11364 1 742 . 1 1 59 59 LYS HE2 H 1 2.928 0.030 . 1 . . . . 59 LYS HE2 . 11364 1 743 . 1 1 59 59 LYS HE3 H 1 2.928 0.030 . 1 . . . . 59 LYS HE3 . 11364 1 744 . 1 1 59 59 LYS HG2 H 1 1.349 0.030 . 1 . . . . 59 LYS HG2 . 11364 1 745 . 1 1 59 59 LYS HG3 H 1 1.349 0.030 . 1 . . . . 59 LYS HG3 . 11364 1 746 . 1 1 59 59 LYS C C 13 175.937 0.300 . 1 . . . . 59 LYS C . 11364 1 747 . 1 1 59 59 LYS CA C 13 56.190 0.300 . 1 . . . . 59 LYS CA . 11364 1 748 . 1 1 59 59 LYS CB C 13 33.158 0.300 . 1 . . . . 59 LYS CB . 11364 1 749 . 1 1 59 59 LYS CD C 13 28.971 0.300 . 1 . . . . 59 LYS CD . 11364 1 750 . 1 1 59 59 LYS CE C 13 42.015 0.300 . 1 . . . . 59 LYS CE . 11364 1 751 . 1 1 59 59 LYS CG C 13 24.777 0.300 . 1 . . . . 59 LYS CG . 11364 1 752 . 1 1 59 59 LYS N N 15 119.751 0.300 . 1 . . . . 59 LYS N . 11364 1 753 . 1 1 60 60 ALA H H 1 8.022 0.030 . 1 . . . . 60 ALA H . 11364 1 754 . 1 1 60 60 ALA HA H 1 4.237 0.030 . 1 . . . . 60 ALA HA . 11364 1 755 . 1 1 60 60 ALA HB1 H 1 1.061 0.030 . 1 . . . . 60 ALA HB . 11364 1 756 . 1 1 60 60 ALA HB2 H 1 1.061 0.030 . 1 . . . . 60 ALA HB . 11364 1 757 . 1 1 60 60 ALA HB3 H 1 1.061 0.030 . 1 . . . . 60 ALA HB . 11364 1 758 . 1 1 60 60 ALA C C 13 176.899 0.300 . 1 . . . . 60 ALA C . 11364 1 759 . 1 1 60 60 ALA CA C 13 51.987 0.300 . 1 . . . . 60 ALA CA . 11364 1 760 . 1 1 60 60 ALA CB C 13 19.299 0.300 . 1 . . . . 60 ALA CB . 11364 1 761 . 1 1 60 60 ALA N N 15 124.195 0.300 . 1 . . . . 60 ALA N . 11364 1 762 . 1 1 61 61 GLN H H 1 8.462 0.030 . 1 . . . . 61 GLN H . 11364 1 763 . 1 1 61 61 GLN HA H 1 4.289 0.030 . 1 . . . . 61 GLN HA . 11364 1 764 . 1 1 61 61 GLN HB2 H 1 2.029 0.030 . 2 . . . . 61 GLN HB2 . 11364 1 765 . 1 1 61 61 GLN HB3 H 1 1.890 0.030 . 2 . . . . 61 GLN HB3 . 11364 1 766 . 1 1 61 61 GLN HE21 H 1 6.888 0.030 . 2 . . . . 61 GLN HE21 . 11364 1 767 . 1 1 61 61 GLN HE22 H 1 7.611 0.030 . 2 . . . . 61 GLN HE22 . 11364 1 768 . 1 1 61 61 GLN HG2 H 1 2.314 0.030 . 1 . . . . 61 GLN HG2 . 11364 1 769 . 1 1 61 61 GLN HG3 H 1 2.314 0.030 . 1 . . . . 61 GLN HG3 . 11364 1 770 . 1 1 61 61 GLN C C 13 175.676 0.300 . 1 . . . . 61 GLN C . 11364 1 771 . 1 1 61 61 GLN CA C 13 55.209 0.300 . 1 . . . . 61 GLN CA . 11364 1 772 . 1 1 61 61 GLN CB C 13 29.797 0.300 . 1 . . . . 61 GLN CB . 11364 1 773 . 1 1 61 61 GLN CG C 13 33.744 0.300 . 1 . . . . 61 GLN CG . 11364 1 774 . 1 1 61 61 GLN N N 15 119.924 0.300 . 1 . . . . 61 GLN N . 11364 1 775 . 1 1 61 61 GLN NE2 N 15 113.281 0.300 . 1 . . . . 61 GLN NE2 . 11364 1 776 . 1 1 62 62 GLU H H 1 8.640 0.030 . 1 . . . . 62 GLU H . 11364 1 777 . 1 1 62 62 GLU HA H 1 4.490 0.030 . 1 . . . . 62 GLU HA . 11364 1 778 . 1 1 62 62 GLU HB2 H 1 1.982 0.030 . 2 . . . . 62 GLU HB2 . 11364 1 779 . 1 1 62 62 GLU HB3 H 1 1.851 0.030 . 2 . . . . 62 GLU HB3 . 11364 1 780 . 1 1 62 62 GLU HG2 H 1 2.301 0.030 . 2 . . . . 62 GLU HG2 . 11364 1 781 . 1 1 62 62 GLU HG3 H 1 2.251 0.030 . 2 . . . . 62 GLU HG3 . 11364 1 782 . 1 1 62 62 GLU C C 13 174.527 0.300 . 1 . . . . 62 GLU C . 11364 1 783 . 1 1 62 62 GLU CA C 13 54.492 0.300 . 1 . . . . 62 GLU CA . 11364 1 784 . 1 1 62 62 GLU CB C 13 29.511 0.300 . 1 . . . . 62 GLU CB . 11364 1 785 . 1 1 62 62 GLU CG C 13 35.871 0.300 . 1 . . . . 62 GLU CG . 11364 1 786 . 1 1 62 62 GLU N N 15 124.503 0.300 . 1 . . . . 62 GLU N . 11364 1 787 . 1 1 63 63 PRO HA H 1 4.437 0.030 . 1 . . . . 63 PRO HA . 11364 1 788 . 1 1 63 63 PRO HB2 H 1 2.260 0.030 . 2 . . . . 63 PRO HB2 . 11364 1 789 . 1 1 63 63 PRO HB3 H 1 1.942 0.030 . 2 . . . . 63 PRO HB3 . 11364 1 790 . 1 1 63 63 PRO HD2 H 1 3.767 0.030 . 2 . . . . 63 PRO HD2 . 11364 1 791 . 1 1 63 63 PRO HD3 H 1 3.607 0.030 . 2 . . . . 63 PRO HD3 . 11364 1 792 . 1 1 63 63 PRO HG2 H 1 1.969 0.030 . 2 . . . . 63 PRO HG2 . 11364 1 793 . 1 1 63 63 PRO HG3 H 1 1.937 0.030 . 2 . . . . 63 PRO HG3 . 11364 1 794 . 1 1 63 63 PRO C C 13 175.997 0.300 . 1 . . . . 63 PRO C . 11364 1 795 . 1 1 63 63 PRO CA C 13 63.245 0.300 . 1 . . . . 63 PRO CA . 11364 1 796 . 1 1 63 63 PRO CB C 13 32.021 0.300 . 1 . . . . 63 PRO CB . 11364 1 797 . 1 1 63 63 PRO CD C 13 50.624 0.300 . 1 . . . . 63 PRO CD . 11364 1 798 . 1 1 63 63 PRO CG C 13 27.360 0.300 . 1 . . . . 63 PRO CG . 11364 1 799 . 1 1 64 64 SER H H 1 8.190 0.030 . 1 . . . . 64 SER H . 11364 1 800 . 1 1 64 64 SER HA H 1 4.209 0.030 . 1 . . . . 64 SER HA . 11364 1 801 . 1 1 64 64 SER HB2 H 1 3.821 0.030 . 1 . . . . 64 SER HB2 . 11364 1 802 . 1 1 64 64 SER HB3 H 1 3.821 0.030 . 1 . . . . 64 SER HB3 . 11364 1 803 . 1 1 64 64 SER C C 13 178.792 0.300 . 1 . . . . 64 SER C . 11364 1 804 . 1 1 64 64 SER CA C 13 60.073 0.300 . 1 . . . . 64 SER CA . 11364 1 805 . 1 1 64 64 SER CB C 13 64.792 0.300 . 1 . . . . 64 SER CB . 11364 1 806 . 1 1 64 64 SER N N 15 122.471 0.300 . 1 . . . . 64 SER N . 11364 1 stop_ save_