data_11367 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11367 _Entry.Title ; Assigned chemical shifts of the human spliceosomal protein SF3b155 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-08 _Entry.Accession_date 2010-09-08 _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 . . . 11367 2 N. Dohmae . . . 11367 3 M. Inoue . . . 11367 4 M. Shirouzu . . . 11367 5 P. Guntert . . . 11367 6 B. Seraphin . . . 11367 7 Y. Muto . . . 11367 8 S. Yokoyama . . . 11367 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)' . 11367 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11367 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 11367 '15N chemical shifts' 42 11367 '1H chemical shifts' 323 11367 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 2010-09-08 original author . 11367 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 11366 'Assigned chemical shifts of the human spliceosomal protein complex p14-SF3b155' 11367 PDB 2FHO 'BMRB Entry Tracking System' 11367 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11367 _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 'NMR solution structure of the human spliceosomal protein complex p14-SF3b155' _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 K. Kuwasako . . . 11367 1 2 N. Dohmae . . . 11367 1 3 M. Inoue . . . 11367 1 4 M. Shirouzu . . . 11367 1 5 P. Guntert . . . 11367 1 6 B. Seraphin . . . 11367 1 7 Y. Muto . . . 11367 1 8 S. Yokoyama . . . 11367 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11367 _Assembly.ID 1 _Assembly.Name 'spliceosomal protein SF3b155' _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 'spliceosomal protein SF3b155, residues in database 379-424' 1 $entity_1 A . yes native no no . . . 11367 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11367 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'spliceosomal protein SF3b155, residues in database 379-424' _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 ; GTPEQLQAWRWEREIDERNR PLSDEELDAMFPEGYKVLPP PAGYVPI ; _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 47 _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 BMRB 11366 . "spliceosomal protein SF3b155, residues in database 379-424" . . . . . 100.00 47 100.00 100.00 1.86e-24 . . . . 11367 1 2 no PDB 2F9D . "2.5 Angstrom Resolution Structure Of The Spliceosomal Protein P14 Bound To Region Of Sf3b155" . . . . . 78.72 43 97.30 97.30 6.66e-16 . . . . 11367 1 3 no PDB 2F9J . "3.0 Angstrom Resolution Structure Of A Y22m Mutant Of The Spliceosomal Protein P14 Bound To A Region Of Sf3b155" . . . . . 74.47 36 100.00 100.00 3.77e-15 . . . . 11367 1 4 no PDB 2FHO . "Nmr Solution Structure Of The Human Spliceosomal Protein Complex P14-Sf3b155" . . . . . 100.00 47 100.00 100.00 1.86e-24 . . . . 11367 1 5 no PDB 3LQV . "Branch Recognition By Sf3b14" . . . . . 78.72 39 100.00 100.00 6.36e-17 . . . . 11367 1 6 no DBJ BAB28369 . "unnamed protein product [Mus musculus]" . . . . . 97.87 490 100.00 100.00 1.46e-22 . . . . 11367 1 7 no DBJ BAB40140 . "pre-mRNA splicing factor SF3b 155 kDa subunit [Mus musculus]" . . . . . 97.87 1304 100.00 100.00 3.34e-22 . . . . 11367 1 8 no DBJ BAE24537 . "unnamed protein product [Mus musculus]" . . . . . 97.87 781 100.00 100.00 3.55e-22 . . . . 11367 1 9 no DBJ BAE27592 . "unnamed protein product [Mus musculus]" . . . . . 97.87 497 100.00 100.00 1.61e-22 . . . . 11367 1 10 no EMBL CAA70201 . "146kDa nuclear protein [Xenopus laevis]" . . . . . 97.87 1307 100.00 100.00 3.22e-22 . . . . 11367 1 11 no GB AAC97189 . "spliceosomal protein SAP 155 [Homo sapiens]" . . . . . 97.87 1304 100.00 100.00 3.24e-22 . . . . 11367 1 12 no GB AAG01404 . "spliceosomal protein SAP155 [Rattus norvegicus]" . . . . . 97.87 496 97.83 97.83 1.52e-21 . . . . 11367 1 13 no GB AAH03419 . "Sf3b1 protein, partial [Mus musculus]" . . . . . 97.87 496 100.00 100.00 1.45e-22 . . . . 11367 1 14 no GB AAH15530 . "SF3B1 protein, partial [Homo sapiens]" . . . . . 97.87 496 100.00 100.00 1.45e-22 . . . . 11367 1 15 no GB AAH28959 . "Sf3b1 protein, partial [Mus musculus]" . . . . . 97.87 496 100.00 100.00 1.45e-22 . . . . 11367 1 16 no REF NP_001084150 . "splicing factor 3B subunit 1 [Xenopus laevis]" . . . . . 97.87 1307 100.00 100.00 3.22e-22 . . . . 11367 1 17 no REF NP_001179923 . "splicing factor 3B subunit 1 [Bos taurus]" . . . . . 97.87 1304 100.00 100.00 3.37e-22 . . . . 11367 1 18 no REF NP_001252892 . "splicing factor 3B subunit 1 [Macaca mulatta]" . . . . . 97.87 1304 100.00 100.00 3.34e-22 . . . . 11367 1 19 no REF NP_036565 . "splicing factor 3B subunit 1 isoform 1 [Homo sapiens]" . . . . . 97.87 1304 100.00 100.00 3.34e-22 . . . . 11367 1 20 no REF NP_112456 . "splicing factor 3B subunit 1 [Mus musculus]" . . . . . 97.87 1304 100.00 100.00 3.34e-22 . . . . 11367 1 21 no SP O57683 . "RecName: Full=Splicing factor 3B subunit 1; AltName: Full=146 kDa nuclear protein; AltName: Full=Pre-mRNA-splicing factor SF3b " . . . . . 97.87 1307 100.00 100.00 3.22e-22 . . . . 11367 1 22 no SP O75533 . "RecName: Full=Splicing factor 3B subunit 1; AltName: Full=Pre-mRNA-splicing factor SF3b 155 kDa subunit; Short=SF3b155; AltName" . . . . . 97.87 1304 100.00 100.00 3.34e-22 . . . . 11367 1 23 no SP Q99NB9 . "RecName: Full=Splicing factor 3B subunit 1; AltName: Full=Pre-mRNA-splicing factor SF3b 155 kDa subunit; Short=SF3b155; AltName" . . . . . 97.87 1304 100.00 100.00 3.34e-22 . . . . 11367 1 24 no TPG DAA32571 . "TPA: splicing factor 3b, subunit 1, 155kDa [Bos taurus]" . . . . . 97.87 1304 100.00 100.00 3.37e-22 . . . . 11367 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'spliceosomal protein SF3b155, residues in database 379-424' . 11367 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 . 11367 1 2 . THR . 11367 1 3 . PRO . 11367 1 4 . GLU . 11367 1 5 . GLN . 11367 1 6 . LEU . 11367 1 7 . GLN . 11367 1 8 . ALA . 11367 1 9 . TRP . 11367 1 10 . ARG . 11367 1 11 . TRP . 11367 1 12 . GLU . 11367 1 13 . ARG . 11367 1 14 . GLU . 11367 1 15 . ILE . 11367 1 16 . ASP . 11367 1 17 . GLU . 11367 1 18 . ARG . 11367 1 19 . ASN . 11367 1 20 . ARG . 11367 1 21 . PRO . 11367 1 22 . LEU . 11367 1 23 . SER . 11367 1 24 . ASP . 11367 1 25 . GLU . 11367 1 26 . GLU . 11367 1 27 . LEU . 11367 1 28 . ASP . 11367 1 29 . ALA . 11367 1 30 . MET . 11367 1 31 . PHE . 11367 1 32 . PRO . 11367 1 33 . GLU . 11367 1 34 . GLY . 11367 1 35 . TYR . 11367 1 36 . LYS . 11367 1 37 . VAL . 11367 1 38 . LEU . 11367 1 39 . PRO . 11367 1 40 . PRO . 11367 1 41 . PRO . 11367 1 42 . ALA . 11367 1 43 . GLY . 11367 1 44 . TYR . 11367 1 45 . VAL . 11367 1 46 . PRO . 11367 1 47 . ILE . 11367 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 11367 1 . THR 2 2 11367 1 . PRO 3 3 11367 1 . GLU 4 4 11367 1 . GLN 5 5 11367 1 . LEU 6 6 11367 1 . GLN 7 7 11367 1 . ALA 8 8 11367 1 . TRP 9 9 11367 1 . ARG 10 10 11367 1 . TRP 11 11 11367 1 . GLU 12 12 11367 1 . ARG 13 13 11367 1 . GLU 14 14 11367 1 . ILE 15 15 11367 1 . ASP 16 16 11367 1 . GLU 17 17 11367 1 . ARG 18 18 11367 1 . ASN 19 19 11367 1 . ARG 20 20 11367 1 . PRO 21 21 11367 1 . LEU 22 22 11367 1 . SER 23 23 11367 1 . ASP 24 24 11367 1 . GLU 25 25 11367 1 . GLU 26 26 11367 1 . LEU 27 27 11367 1 . ASP 28 28 11367 1 . ALA 29 29 11367 1 . MET 30 30 11367 1 . PHE 31 31 11367 1 . PRO 32 32 11367 1 . GLU 33 33 11367 1 . GLY 34 34 11367 1 . TYR 35 35 11367 1 . LYS 36 36 11367 1 . VAL 37 37 11367 1 . LEU 38 38 11367 1 . PRO 39 39 11367 1 . PRO 40 40 11367 1 . PRO 41 41 11367 1 . ALA 42 42 11367 1 . GLY 43 43 11367 1 . TYR 44 44 11367 1 . VAL 45 45 11367 1 . PRO 46 46 11367 1 . ILE 47 47 11367 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 11367 _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 . . . . . . . . . . . . . . . . . . . . . 11367 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 11367 _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 . . PGEX6P-1-SF3B155(379-424)-HIS6-P14(8-93) . . . . . . 11367 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11367 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 20mM Sodium Phosphate buffer (pH 6.5), 100mM NaCl, 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 'spliceosomal protein SF3b155, residues in database 379-424' . . . 1 $entity_1 . protein 300 . . mM . . . . 11367 1 2 'Sodium Phosphate' 'natural abundance' . . . . . buffer 20 . . mM . . . . 11367 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11367 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11367 1 5 H2O . . . . . . solvent 90 . . % . . . . 11367 1 6 D2O . . . . . . solvent 10 . . % . . . . 11367 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 11367 _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' 100 0.1 mM 11367 1 pH 6.5 0.05 pH 11367 1 pressure 1 0.001 atm 11367 1 temperature 298 0.1 K 11367 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11367 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11367 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11367 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11367 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F' . . 11367 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11367 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 11367 _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' . . 11367 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11367 3 stop_ save_ save_kujira _Software.Sf_category software _Software.Sf_framecode kujira _Software.Entry_ID 11367 _Software.ID 4 _Software.Name Kujira _Software.Version 0.8995 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N' . . 11367 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11367 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11367 _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' . . 11367 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11367 5 'structure solution' 11367 5 stop_ save_ save_OPALP _Software.Sf_category software _Software.Sf_framecode OPALP _Software.Entry_ID 11367 _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.' . . 11367 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11367 6 'structure solution' 11367 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 11367 _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_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11367 _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 . . . 11367 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 11367 _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 . . . . . . . . . . . . . . . . 11367 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11367 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 11367 _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 . . . . . . . . . 11367 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11367 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11367 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 11367 _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 11367 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11367 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 . . 11367 1 2 $NMRPipe . . 11367 1 3 $NMRview . . 11367 1 4 $kujira . . 11367 1 5 $CYANA . . 11367 1 6 $OPALP . . 11367 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 3.904 0.030 . 2 . . . . 1 GLY HA2 . 11367 1 2 . 1 1 1 1 GLY HA3 H 1 3.804 0.030 . 2 . . . . 1 GLY HA3 . 11367 1 3 . 1 1 1 1 GLY CA C 13 43.381 0.300 . 1 . . . . 1 GLY CA . 11367 1 4 . 1 1 2 2 THR HA H 1 4.619 0.030 . 1 . . . . 2 THR HA . 11367 1 5 . 1 1 2 2 THR HB H 1 4.278 0.030 . 1 . . . . 2 THR HB . 11367 1 6 . 1 1 2 2 THR HG21 H 1 1.235 0.030 . 1 . . . . 2 THR HG2 . 11367 1 7 . 1 1 2 2 THR HG22 H 1 1.235 0.030 . 1 . . . . 2 THR HG2 . 11367 1 8 . 1 1 2 2 THR HG23 H 1 1.235 0.030 . 1 . . . . 2 THR HG2 . 11367 1 9 . 1 1 2 2 THR CA C 13 60.486 0.300 . 1 . . . . 2 THR CA . 11367 1 10 . 1 1 2 2 THR CB C 13 69.266 0.300 . 1 . . . . 2 THR CB . 11367 1 11 . 1 1 2 2 THR CG2 C 13 21.797 0.300 . 1 . . . . 2 THR CG2 . 11367 1 12 . 1 1 3 3 PRO HA H 1 4.314 0.030 . 1 . . . . 3 PRO HA . 11367 1 13 . 1 1 3 3 PRO HB2 H 1 2.293 0.030 . 2 . . . . 3 PRO HB2 . 11367 1 14 . 1 1 3 3 PRO HB3 H 1 1.844 0.030 . 2 . . . . 3 PRO HB3 . 11367 1 15 . 1 1 3 3 PRO HD2 H 1 3.848 0.030 . 2 . . . . 3 PRO HD2 . 11367 1 16 . 1 1 3 3 PRO HD3 H 1 3.724 0.030 . 2 . . . . 3 PRO HD3 . 11367 1 17 . 1 1 3 3 PRO HG2 H 1 2.051 0.030 . 2 . . . . 3 PRO HG2 . 11367 1 18 . 1 1 3 3 PRO HG3 H 1 1.961 0.030 . 2 . . . . 3 PRO HG3 . 11367 1 19 . 1 1 3 3 PRO C C 13 177.723 0.300 . 1 . . . . 3 PRO C . 11367 1 20 . 1 1 3 3 PRO CA C 13 64.303 0.300 . 1 . . . . 3 PRO CA . 11367 1 21 . 1 1 3 3 PRO CB C 13 31.932 0.300 . 1 . . . . 3 PRO CB . 11367 1 22 . 1 1 3 3 PRO CD C 13 50.895 0.300 . 1 . . . . 3 PRO CD . 11367 1 23 . 1 1 3 3 PRO CG C 13 27.701 0.300 . 1 . . . . 3 PRO CG . 11367 1 24 . 1 1 4 4 GLU H H 1 8.529 0.030 . 1 . . . . 4 GLU H . 11367 1 25 . 1 1 4 4 GLU HA H 1 4.093 0.030 . 1 . . . . 4 GLU HA . 11367 1 26 . 1 1 4 4 GLU HB2 H 1 1.949 0.030 . 1 . . . . 4 GLU HB2 . 11367 1 27 . 1 1 4 4 GLU HB3 H 1 1.949 0.030 . 1 . . . . 4 GLU HB3 . 11367 1 28 . 1 1 4 4 GLU HG2 H 1 2.257 0.030 . 1 . . . . 4 GLU HG2 . 11367 1 29 . 1 1 4 4 GLU HG3 H 1 2.257 0.030 . 1 . . . . 4 GLU HG3 . 11367 1 30 . 1 1 4 4 GLU C C 13 177.479 0.300 . 1 . . . . 4 GLU C . 11367 1 31 . 1 1 4 4 GLU CA C 13 58.046 0.300 . 1 . . . . 4 GLU CA . 11367 1 32 . 1 1 4 4 GLU CB C 13 29.647 0.300 . 1 . . . . 4 GLU CB . 11367 1 33 . 1 1 4 4 GLU CG C 13 36.507 0.300 . 1 . . . . 4 GLU CG . 11367 1 34 . 1 1 4 4 GLU N N 15 119.874 0.300 . 1 . . . . 4 GLU N . 11367 1 35 . 1 1 5 5 GLN H H 1 8.124 0.030 . 1 . . . . 5 GLN H . 11367 1 36 . 1 1 5 5 GLN HA H 1 4.161 0.030 . 1 . . . . 5 GLN HA . 11367 1 37 . 1 1 5 5 GLN HB2 H 1 1.973 0.030 . 2 . . . . 5 GLN HB2 . 11367 1 38 . 1 1 5 5 GLN HB3 H 1 1.942 0.030 . 2 . . . . 5 GLN HB3 . 11367 1 39 . 1 1 5 5 GLN HE21 H 1 7.442 0.030 . 2 . . . . 5 GLN HE21 . 11367 1 40 . 1 1 5 5 GLN HE22 H 1 6.801 0.030 . 2 . . . . 5 GLN HE22 . 11367 1 41 . 1 1 5 5 GLN HG2 H 1 2.287 0.030 . 1 . . . . 5 GLN HG2 . 11367 1 42 . 1 1 5 5 GLN HG3 H 1 2.287 0.030 . 1 . . . . 5 GLN HG3 . 11367 1 43 . 1 1 5 5 GLN C C 13 176.558 0.300 . 1 . . . . 5 GLN C . 11367 1 44 . 1 1 5 5 GLN CA C 13 56.627 0.300 . 1 . . . . 5 GLN CA . 11367 1 45 . 1 1 5 5 GLN CB C 13 29.054 0.300 . 1 . . . . 5 GLN CB . 11367 1 46 . 1 1 5 5 GLN CG C 13 33.976 0.300 . 1 . . . . 5 GLN CG . 11367 1 47 . 1 1 5 5 GLN N N 15 120.679 0.300 . 1 . . . . 5 GLN N . 11367 1 48 . 1 1 5 5 GLN NE2 N 15 112.191 0.300 . 1 . . . . 5 GLN NE2 . 11367 1 49 . 1 1 6 6 LEU H H 1 8.039 0.030 . 1 . . . . 6 LEU H . 11367 1 50 . 1 1 6 6 LEU HA H 1 4.214 0.030 . 1 . . . . 6 LEU HA . 11367 1 51 . 1 1 6 6 LEU HB2 H 1 1.615 0.030 . 2 . . . . 6 LEU HB2 . 11367 1 52 . 1 1 6 6 LEU HB3 H 1 1.551 0.030 . 2 . . . . 6 LEU HB3 . 11367 1 53 . 1 1 6 6 LEU HD11 H 1 0.842 0.030 . 1 . . . . 6 LEU HD1 . 11367 1 54 . 1 1 6 6 LEU HD12 H 1 0.842 0.030 . 1 . . . . 6 LEU HD1 . 11367 1 55 . 1 1 6 6 LEU HD13 H 1 0.842 0.030 . 1 . . . . 6 LEU HD1 . 11367 1 56 . 1 1 6 6 LEU HD21 H 1 0.808 0.030 . 1 . . . . 6 LEU HD2 . 11367 1 57 . 1 1 6 6 LEU HD22 H 1 0.808 0.030 . 1 . . . . 6 LEU HD2 . 11367 1 58 . 1 1 6 6 LEU HD23 H 1 0.808 0.030 . 1 . . . . 6 LEU HD2 . 11367 1 59 . 1 1 6 6 LEU HG H 1 1.564 0.030 . 1 . . . . 6 LEU HG . 11367 1 60 . 1 1 6 6 LEU C C 13 177.804 0.300 . 1 . . . . 6 LEU C . 11367 1 61 . 1 1 6 6 LEU CA C 13 55.997 0.300 . 1 . . . . 6 LEU CA . 11367 1 62 . 1 1 6 6 LEU CB C 13 42.110 0.300 . 1 . . . . 6 LEU CB . 11367 1 63 . 1 1 6 6 LEU CD1 C 13 24.853 0.300 . 2 . . . . 6 LEU CD1 . 11367 1 64 . 1 1 6 6 LEU CD2 C 13 23.376 0.300 . 2 . . . . 6 LEU CD2 . 11367 1 65 . 1 1 6 6 LEU CG C 13 27.080 0.300 . 1 . . . . 6 LEU CG . 11367 1 66 . 1 1 6 6 LEU N N 15 121.974 0.300 . 1 . . . . 6 LEU N . 11367 1 67 . 1 1 7 7 GLN H H 1 8.063 0.030 . 1 . . . . 7 GLN H . 11367 1 68 . 1 1 7 7 GLN HA H 1 4.110 0.030 . 1 . . . . 7 GLN HA . 11367 1 69 . 1 1 7 7 GLN HB2 H 1 1.843 0.030 . 1 . . . . 7 GLN HB2 . 11367 1 70 . 1 1 7 7 GLN HB3 H 1 1.843 0.030 . 1 . . . . 7 GLN HB3 . 11367 1 71 . 1 1 7 7 GLN HE21 H 1 7.348 0.030 . 2 . . . . 7 GLN HE21 . 11367 1 72 . 1 1 7 7 GLN HE22 H 1 6.818 0.030 . 2 . . . . 7 GLN HE22 . 11367 1 73 . 1 1 7 7 GLN HG2 H 1 2.226 0.030 . 1 . . . . 7 GLN HG2 . 11367 1 74 . 1 1 7 7 GLN HG3 H 1 2.226 0.030 . 1 . . . . 7 GLN HG3 . 11367 1 75 . 1 1 7 7 GLN C C 13 176.115 0.300 . 1 . . . . 7 GLN C . 11367 1 76 . 1 1 7 7 GLN CA C 13 56.333 0.300 . 1 . . . . 7 GLN CA . 11367 1 77 . 1 1 7 7 GLN CB C 13 28.872 0.300 . 1 . . . . 7 GLN CB . 11367 1 78 . 1 1 7 7 GLN CG C 13 33.682 0.300 . 1 . . . . 7 GLN CG . 11367 1 79 . 1 1 7 7 GLN N N 15 119.760 0.300 . 1 . . . . 7 GLN N . 11367 1 80 . 1 1 7 7 GLN NE2 N 15 112.210 0.300 . 1 . . . . 7 GLN NE2 . 11367 1 81 . 1 1 8 8 ALA H H 1 7.981 0.030 . 1 . . . . 8 ALA H . 11367 1 82 . 1 1 8 8 ALA HA H 1 4.062 0.030 . 1 . . . . 8 ALA HA . 11367 1 83 . 1 1 8 8 ALA HB1 H 1 1.306 0.030 . 1 . . . . 8 ALA HB . 11367 1 84 . 1 1 8 8 ALA HB2 H 1 1.306 0.030 . 1 . . . . 8 ALA HB . 11367 1 85 . 1 1 8 8 ALA HB3 H 1 1.306 0.030 . 1 . . . . 8 ALA HB . 11367 1 86 . 1 1 8 8 ALA C C 13 178.025 0.300 . 1 . . . . 8 ALA C . 11367 1 87 . 1 1 8 8 ALA CA C 13 53.458 0.300 . 1 . . . . 8 ALA CA . 11367 1 88 . 1 1 8 8 ALA CB C 13 18.815 0.300 . 1 . . . . 8 ALA CB . 11367 1 89 . 1 1 8 8 ALA N N 15 123.794 0.300 . 1 . . . . 8 ALA N . 11367 1 90 . 1 1 9 9 TRP H H 1 7.899 0.030 . 1 . . . . 9 TRP H . 11367 1 91 . 1 1 9 9 TRP HA H 1 4.476 0.030 . 1 . . . . 9 TRP HA . 11367 1 92 . 1 1 9 9 TRP HB2 H 1 3.192 0.030 . 2 . . . . 9 TRP HB2 . 11367 1 93 . 1 1 9 9 TRP HB3 H 1 3.146 0.030 . 2 . . . . 9 TRP HB3 . 11367 1 94 . 1 1 9 9 TRP HD1 H 1 7.101 0.030 . 1 . . . . 9 TRP HD1 . 11367 1 95 . 1 1 9 9 TRP HE1 H 1 9.997 0.030 . 1 . . . . 9 TRP HE1 . 11367 1 96 . 1 1 9 9 TRP HE3 H 1 7.468 0.030 . 1 . . . . 9 TRP HE3 . 11367 1 97 . 1 1 9 9 TRP HH2 H 1 7.126 0.030 . 1 . . . . 9 TRP HH2 . 11367 1 98 . 1 1 9 9 TRP HZ2 H 1 7.371 0.030 . 1 . . . . 9 TRP HZ2 . 11367 1 99 . 1 1 9 9 TRP HZ3 H 1 7.035 0.030 . 1 . . . . 9 TRP HZ3 . 11367 1 100 . 1 1 9 9 TRP C C 13 176.621 0.300 . 1 . . . . 9 TRP C . 11367 1 101 . 1 1 9 9 TRP CA C 13 57.808 0.300 . 1 . . . . 9 TRP CA . 11367 1 102 . 1 1 9 9 TRP CB C 13 29.139 0.300 . 1 . . . . 9 TRP CB . 11367 1 103 . 1 1 9 9 TRP CD1 C 13 126.979 0.300 . 1 . . . . 9 TRP CD1 . 11367 1 104 . 1 1 9 9 TRP CE3 C 13 120.768 0.300 . 1 . . . . 9 TRP CE3 . 11367 1 105 . 1 1 9 9 TRP CH2 C 13 124.572 0.300 . 1 . . . . 9 TRP CH2 . 11367 1 106 . 1 1 9 9 TRP CZ2 C 13 114.526 0.300 . 1 . . . . 9 TRP CZ2 . 11367 1 107 . 1 1 9 9 TRP CZ3 C 13 121.930 0.300 . 1 . . . . 9 TRP CZ3 . 11367 1 108 . 1 1 9 9 TRP N N 15 119.154 0.300 . 1 . . . . 9 TRP N . 11367 1 109 . 1 1 9 9 TRP NE1 N 15 129.252 0.300 . 1 . . . . 9 TRP NE1 . 11367 1 110 . 1 1 10 10 ARG H H 1 7.671 0.030 . 1 . . . . 10 ARG H . 11367 1 111 . 1 1 10 10 ARG HA H 1 3.963 0.030 . 1 . . . . 10 ARG HA . 11367 1 112 . 1 1 10 10 ARG HB2 H 1 1.512 0.030 . 2 . . . . 10 ARG HB2 . 11367 1 113 . 1 1 10 10 ARG HB3 H 1 1.420 0.030 . 2 . . . . 10 ARG HB3 . 11367 1 114 . 1 1 10 10 ARG HD2 H 1 2.948 0.030 . 1 . . . . 10 ARG HD2 . 11367 1 115 . 1 1 10 10 ARG HD3 H 1 2.948 0.030 . 1 . . . . 10 ARG HD3 . 11367 1 116 . 1 1 10 10 ARG HG2 H 1 1.180 0.030 . 1 . . . . 10 ARG HG2 . 11367 1 117 . 1 1 10 10 ARG HG3 H 1 1.180 0.030 . 1 . . . . 10 ARG HG3 . 11367 1 118 . 1 1 10 10 ARG C C 13 176.274 0.300 . 1 . . . . 10 ARG C . 11367 1 119 . 1 1 10 10 ARG CA C 13 56.884 0.300 . 1 . . . . 10 ARG CA . 11367 1 120 . 1 1 10 10 ARG CB C 13 30.480 0.300 . 1 . . . . 10 ARG CB . 11367 1 121 . 1 1 10 10 ARG CD C 13 43.314 0.300 . 1 . . . . 10 ARG CD . 11367 1 122 . 1 1 10 10 ARG CG C 13 26.892 0.300 . 1 . . . . 10 ARG CG . 11367 1 123 . 1 1 10 10 ARG N N 15 121.565 0.300 . 1 . . . . 10 ARG N . 11367 1 124 . 1 1 11 11 TRP H H 1 7.763 0.030 . 1 . . . . 11 TRP H . 11367 1 125 . 1 1 11 11 TRP HA H 1 4.512 0.030 . 1 . . . . 11 TRP HA . 11367 1 126 . 1 1 11 11 TRP HB2 H 1 3.247 0.030 . 2 . . . . 11 TRP HB2 . 11367 1 127 . 1 1 11 11 TRP HB3 H 1 3.149 0.030 . 2 . . . . 11 TRP HB3 . 11367 1 128 . 1 1 11 11 TRP HD1 H 1 7.171 0.030 . 1 . . . . 11 TRP HD1 . 11367 1 129 . 1 1 11 11 TRP HE1 H 1 10.082 0.030 . 1 . . . . 11 TRP HE1 . 11367 1 130 . 1 1 11 11 TRP HE3 H 1 7.506 0.030 . 1 . . . . 11 TRP HE3 . 11367 1 131 . 1 1 11 11 TRP HZ3 H 1 7.064 0.030 . 1 . . . . 11 TRP HZ3 . 11367 1 132 . 1 1 11 11 TRP C C 13 176.612 0.300 . 1 . . . . 11 TRP C . 11367 1 133 . 1 1 11 11 TRP CA C 13 57.735 0.300 . 1 . . . . 11 TRP CA . 11367 1 134 . 1 1 11 11 TRP CB C 13 29.538 0.300 . 1 . . . . 11 TRP CB . 11367 1 135 . 1 1 11 11 TRP CD1 C 13 127.053 0.300 . 1 . . . . 11 TRP CD1 . 11367 1 136 . 1 1 11 11 TRP CE3 C 13 120.815 0.300 . 1 . . . . 11 TRP CE3 . 11367 1 137 . 1 1 11 11 TRP CZ3 C 13 121.974 0.300 . 1 . . . . 11 TRP CZ3 . 11367 1 138 . 1 1 11 11 TRP N N 15 120.669 0.300 . 1 . . . . 11 TRP N . 11367 1 139 . 1 1 11 11 TRP NE1 N 15 129.207 0.300 . 1 . . . . 11 TRP NE1 . 11367 1 140 . 1 1 12 12 GLU H H 1 8.147 0.030 . 1 . . . . 12 GLU H . 11367 1 141 . 1 1 12 12 GLU HA H 1 4.070 0.030 . 1 . . . . 12 GLU HA . 11367 1 142 . 1 1 12 12 GLU HB2 H 1 1.938 0.030 . 2 . . . . 12 GLU HB2 . 11367 1 143 . 1 1 12 12 GLU HB3 H 1 1.868 0.030 . 2 . . . . 12 GLU HB3 . 11367 1 144 . 1 1 12 12 GLU HG2 H 1 2.126 0.030 . 1 . . . . 12 GLU HG2 . 11367 1 145 . 1 1 12 12 GLU HG3 H 1 2.126 0.030 . 1 . . . . 12 GLU HG3 . 11367 1 146 . 1 1 12 12 GLU C C 13 176.594 0.300 . 1 . . . . 12 GLU C . 11367 1 147 . 1 1 12 12 GLU CA C 13 57.322 0.300 . 1 . . . . 12 GLU CA . 11367 1 148 . 1 1 12 12 GLU CB C 13 30.114 0.300 . 1 . . . . 12 GLU CB . 11367 1 149 . 1 1 12 12 GLU CG C 13 36.192 0.300 . 1 . . . . 12 GLU CG . 11367 1 150 . 1 1 12 12 GLU N N 15 121.147 0.300 . 1 . . . . 12 GLU N . 11367 1 151 . 1 1 13 13 ARG H H 1 7.881 0.030 . 1 . . . . 13 ARG H . 11367 1 152 . 1 1 13 13 ARG HA H 1 4.166 0.030 . 1 . . . . 13 ARG HA . 11367 1 153 . 1 1 13 13 ARG HB2 H 1 1.748 0.030 . 2 . . . . 13 ARG HB2 . 11367 1 154 . 1 1 13 13 ARG HB3 H 1 1.641 0.030 . 2 . . . . 13 ARG HB3 . 11367 1 155 . 1 1 13 13 ARG HD2 H 1 3.030 0.030 . 1 . . . . 13 ARG HD2 . 11367 1 156 . 1 1 13 13 ARG HD3 H 1 3.030 0.030 . 1 . . . . 13 ARG HD3 . 11367 1 157 . 1 1 13 13 ARG HG2 H 1 1.490 0.030 . 1 . . . . 13 ARG HG2 . 11367 1 158 . 1 1 13 13 ARG HG3 H 1 1.490 0.030 . 1 . . . . 13 ARG HG3 . 11367 1 159 . 1 1 13 13 ARG C C 13 176.363 0.300 . 1 . . . . 13 ARG C . 11367 1 160 . 1 1 13 13 ARG CA C 13 56.384 0.300 . 1 . . . . 13 ARG CA . 11367 1 161 . 1 1 13 13 ARG CB C 13 30.882 0.300 . 1 . . . . 13 ARG CB . 11367 1 162 . 1 1 13 13 ARG CD C 13 43.307 0.300 . 1 . . . . 13 ARG CD . 11367 1 163 . 1 1 13 13 ARG CG C 13 26.990 0.300 . 1 . . . . 13 ARG CG . 11367 1 164 . 1 1 13 13 ARG N N 15 119.786 0.300 . 1 . . . . 13 ARG N . 11367 1 165 . 1 1 14 14 GLU H H 1 8.206 0.030 . 1 . . . . 14 GLU H . 11367 1 166 . 1 1 14 14 GLU HA H 1 4.182 0.030 . 1 . . . . 14 GLU HA . 11367 1 167 . 1 1 14 14 GLU HB2 H 1 2.016 0.030 . 2 . . . . 14 GLU HB2 . 11367 1 168 . 1 1 14 14 GLU HB3 H 1 1.922 0.030 . 2 . . . . 14 GLU HB3 . 11367 1 169 . 1 1 14 14 GLU HG2 H 1 2.248 0.030 . 1 . . . . 14 GLU HG2 . 11367 1 170 . 1 1 14 14 GLU HG3 H 1 2.248 0.030 . 1 . . . . 14 GLU HG3 . 11367 1 171 . 1 1 14 14 GLU C C 13 176.841 0.300 . 1 . . . . 14 GLU C . 11367 1 172 . 1 1 14 14 GLU CA C 13 57.160 0.300 . 1 . . . . 14 GLU CA . 11367 1 173 . 1 1 14 14 GLU CB C 13 29.925 0.300 . 1 . . . . 14 GLU CB . 11367 1 174 . 1 1 14 14 GLU CG C 13 36.172 0.300 . 1 . . . . 14 GLU CG . 11367 1 175 . 1 1 14 14 GLU N N 15 120.760 0.300 . 1 . . . . 14 GLU N . 11367 1 176 . 1 1 15 15 ILE H H 1 7.926 0.030 . 1 . . . . 15 ILE H . 11367 1 177 . 1 1 15 15 ILE HA H 1 4.019 0.030 . 1 . . . . 15 ILE HA . 11367 1 178 . 1 1 15 15 ILE HB H 1 1.773 0.030 . 1 . . . . 15 ILE HB . 11367 1 179 . 1 1 15 15 ILE HD11 H 1 0.760 0.030 . 1 . . . . 15 ILE HD1 . 11367 1 180 . 1 1 15 15 ILE HD12 H 1 0.760 0.030 . 1 . . . . 15 ILE HD1 . 11367 1 181 . 1 1 15 15 ILE HD13 H 1 0.760 0.030 . 1 . . . . 15 ILE HD1 . 11367 1 182 . 1 1 15 15 ILE HG12 H 1 1.373 0.030 . 2 . . . . 15 ILE HG12 . 11367 1 183 . 1 1 15 15 ILE HG13 H 1 1.088 0.030 . 2 . . . . 15 ILE HG13 . 11367 1 184 . 1 1 15 15 ILE HG21 H 1 0.805 0.030 . 1 . . . . 15 ILE HG2 . 11367 1 185 . 1 1 15 15 ILE HG22 H 1 0.805 0.030 . 1 . . . . 15 ILE HG2 . 11367 1 186 . 1 1 15 15 ILE HG23 H 1 0.805 0.030 . 1 . . . . 15 ILE HG2 . 11367 1 187 . 1 1 15 15 ILE C C 13 176.038 0.300 . 1 . . . . 15 ILE C . 11367 1 188 . 1 1 15 15 ILE CA C 13 61.663 0.300 . 1 . . . . 15 ILE CA . 11367 1 189 . 1 1 15 15 ILE CB C 13 38.769 0.300 . 1 . . . . 15 ILE CB . 11367 1 190 . 1 1 15 15 ILE CD1 C 13 13.033 0.300 . 1 . . . . 15 ILE CD1 . 11367 1 191 . 1 1 15 15 ILE CG1 C 13 27.467 0.300 . 1 . . . . 15 ILE CG1 . 11367 1 192 . 1 1 15 15 ILE CG2 C 13 17.488 0.300 . 1 . . . . 15 ILE CG2 . 11367 1 193 . 1 1 15 15 ILE N N 15 120.281 0.300 . 1 . . . . 15 ILE N . 11367 1 194 . 1 1 16 16 ASP H H 1 8.093 0.030 . 1 . . . . 16 ASP H . 11367 1 195 . 1 1 16 16 ASP HA H 1 4.548 0.030 . 1 . . . . 16 ASP HA . 11367 1 196 . 1 1 16 16 ASP HB2 H 1 2.701 0.030 . 2 . . . . 16 ASP HB2 . 11367 1 197 . 1 1 16 16 ASP HB3 H 1 2.605 0.030 . 2 . . . . 16 ASP HB3 . 11367 1 198 . 1 1 16 16 ASP C C 13 176.675 0.300 . 1 . . . . 16 ASP C . 11367 1 199 . 1 1 16 16 ASP CA C 13 54.400 0.300 . 1 . . . . 16 ASP CA . 11367 1 200 . 1 1 16 16 ASP CB C 13 41.431 0.300 . 1 . . . . 16 ASP CB . 11367 1 201 . 1 1 16 16 ASP N N 15 123.243 0.300 . 1 . . . . 16 ASP N . 11367 1 202 . 1 1 17 17 GLU H H 1 8.383 0.030 . 1 . . . . 17 GLU H . 11367 1 203 . 1 1 17 17 GLU HA H 1 4.135 0.030 . 1 . . . . 17 GLU HA . 11367 1 204 . 1 1 17 17 GLU HB2 H 1 2.051 0.030 . 2 . . . . 17 GLU HB2 . 11367 1 205 . 1 1 17 17 GLU HB3 H 1 1.949 0.030 . 2 . . . . 17 GLU HB3 . 11367 1 206 . 1 1 17 17 GLU HG2 H 1 2.256 0.030 . 2 . . . . 17 GLU HG2 . 11367 1 207 . 1 1 17 17 GLU HG3 H 1 2.210 0.030 . 2 . . . . 17 GLU HG3 . 11367 1 208 . 1 1 17 17 GLU C C 13 177.022 0.300 . 1 . . . . 17 GLU C . 11367 1 209 . 1 1 17 17 GLU CA C 13 57.507 0.300 . 1 . . . . 17 GLU CA . 11367 1 210 . 1 1 17 17 GLU CB C 13 29.804 0.300 . 1 . . . . 17 GLU CB . 11367 1 211 . 1 1 17 17 GLU CG C 13 36.172 0.300 . 1 . . . . 17 GLU CG . 11367 1 212 . 1 1 17 17 GLU N N 15 121.757 0.300 . 1 . . . . 17 GLU N . 11367 1 213 . 1 1 18 18 ARG H H 1 8.182 0.030 . 1 . . . . 18 ARG H . 11367 1 214 . 1 1 18 18 ARG HA H 1 4.185 0.030 . 1 . . . . 18 ARG HA . 11367 1 215 . 1 1 18 18 ARG HB2 H 1 1.810 0.030 . 2 . . . . 18 ARG HB2 . 11367 1 216 . 1 1 18 18 ARG HB3 H 1 1.770 0.030 . 2 . . . . 18 ARG HB3 . 11367 1 217 . 1 1 18 18 ARG HD2 H 1 3.148 0.030 . 1 . . . . 18 ARG HD2 . 11367 1 218 . 1 1 18 18 ARG HD3 H 1 3.148 0.030 . 1 . . . . 18 ARG HD3 . 11367 1 219 . 1 1 18 18 ARG HG2 H 1 1.610 0.030 . 1 . . . . 18 ARG HG2 . 11367 1 220 . 1 1 18 18 ARG HG3 H 1 1.610 0.030 . 1 . . . . 18 ARG HG3 . 11367 1 221 . 1 1 18 18 ARG C C 13 176.476 0.300 . 1 . . . . 18 ARG C . 11367 1 222 . 1 1 18 18 ARG CA C 13 57.006 0.300 . 1 . . . . 18 ARG CA . 11367 1 223 . 1 1 18 18 ARG CB C 13 30.494 0.300 . 1 . . . . 18 ARG CB . 11367 1 224 . 1 1 18 18 ARG CD C 13 43.407 0.300 . 1 . . . . 18 ARG CD . 11367 1 225 . 1 1 18 18 ARG CG C 13 26.973 0.300 . 1 . . . . 18 ARG CG . 11367 1 226 . 1 1 18 18 ARG N N 15 119.679 0.300 . 1 . . . . 18 ARG N . 11367 1 227 . 1 1 19 19 ASN H H 1 8.141 0.030 . 1 . . . . 19 ASN H . 11367 1 228 . 1 1 19 19 ASN HA H 1 4.664 0.030 . 1 . . . . 19 ASN HA . 11367 1 229 . 1 1 19 19 ASN HB2 H 1 2.794 0.030 . 2 . . . . 19 ASN HB2 . 11367 1 230 . 1 1 19 19 ASN HB3 H 1 2.688 0.030 . 2 . . . . 19 ASN HB3 . 11367 1 231 . 1 1 19 19 ASN HD21 H 1 7.612 0.030 . 2 . . . . 19 ASN HD21 . 11367 1 232 . 1 1 19 19 ASN HD22 H 1 6.822 0.030 . 2 . . . . 19 ASN HD22 . 11367 1 233 . 1 1 19 19 ASN C C 13 174.538 0.300 . 1 . . . . 19 ASN C . 11367 1 234 . 1 1 19 19 ASN CA C 13 53.195 0.300 . 1 . . . . 19 ASN CA . 11367 1 235 . 1 1 19 19 ASN CB C 13 38.924 0.300 . 1 . . . . 19 ASN CB . 11367 1 236 . 1 1 19 19 ASN N N 15 117.822 0.300 . 1 . . . . 19 ASN N . 11367 1 237 . 1 1 19 19 ASN ND2 N 15 112.971 0.300 . 1 . . . . 19 ASN ND2 . 11367 1 238 . 1 1 20 20 ARG H H 1 7.868 0.030 . 1 . . . . 20 ARG H . 11367 1 239 . 1 1 20 20 ARG HA H 1 4.522 0.030 . 1 . . . . 20 ARG HA . 11367 1 240 . 1 1 20 20 ARG HB2 H 1 1.795 0.030 . 2 . . . . 20 ARG HB2 . 11367 1 241 . 1 1 20 20 ARG HB3 H 1 1.691 0.030 . 2 . . . . 20 ARG HB3 . 11367 1 242 . 1 1 20 20 ARG HD2 H 1 3.124 0.030 . 1 . . . . 20 ARG HD2 . 11367 1 243 . 1 1 20 20 ARG HD3 H 1 3.124 0.030 . 1 . . . . 20 ARG HD3 . 11367 1 244 . 1 1 20 20 ARG HG2 H 1 1.571 0.030 . 1 . . . . 20 ARG HG2 . 11367 1 245 . 1 1 20 20 ARG HG3 H 1 1.571 0.030 . 1 . . . . 20 ARG HG3 . 11367 1 246 . 1 1 20 20 ARG C C 13 173.743 0.300 . 1 . . . . 20 ARG C . 11367 1 247 . 1 1 20 20 ARG CA C 13 54.270 0.300 . 1 . . . . 20 ARG CA . 11367 1 248 . 1 1 20 20 ARG CB C 13 30.132 0.300 . 1 . . . . 20 ARG CB . 11367 1 249 . 1 1 20 20 ARG CD C 13 43.434 0.300 . 1 . . . . 20 ARG CD . 11367 1 250 . 1 1 20 20 ARG CG C 13 26.621 0.300 . 1 . . . . 20 ARG CG . 11367 1 251 . 1 1 20 20 ARG N N 15 121.563 0.300 . 1 . . . . 20 ARG N . 11367 1 252 . 1 1 21 21 PRO HA H 1 4.411 0.030 . 1 . . . . 21 PRO HA . 11367 1 253 . 1 1 21 21 PRO HB2 H 1 2.219 0.030 . 2 . . . . 21 PRO HB2 . 11367 1 254 . 1 1 21 21 PRO HB3 H 1 1.854 0.030 . 2 . . . . 21 PRO HB3 . 11367 1 255 . 1 1 21 21 PRO HD2 H 1 3.709 0.030 . 2 . . . . 21 PRO HD2 . 11367 1 256 . 1 1 21 21 PRO HD3 H 1 3.541 0.030 . 2 . . . . 21 PRO HD3 . 11367 1 257 . 1 1 21 21 PRO HG2 H 1 1.927 0.030 . 1 . . . . 21 PRO HG2 . 11367 1 258 . 1 1 21 21 PRO HG3 H 1 1.927 0.030 . 1 . . . . 21 PRO HG3 . 11367 1 259 . 1 1 21 21 PRO C C 13 176.802 0.300 . 1 . . . . 21 PRO C . 11367 1 260 . 1 1 21 21 PRO CA C 13 62.955 0.300 . 1 . . . . 21 PRO CA . 11367 1 261 . 1 1 21 21 PRO CB C 13 31.947 0.300 . 1 . . . . 21 PRO CB . 11367 1 262 . 1 1 21 21 PRO CD C 13 50.579 0.300 . 1 . . . . 21 PRO CD . 11367 1 263 . 1 1 21 21 PRO CG C 13 27.307 0.300 . 1 . . . . 21 PRO CG . 11367 1 264 . 1 1 22 22 LEU H H 1 8.226 0.030 . 1 . . . . 22 LEU H . 11367 1 265 . 1 1 22 22 LEU HA H 1 4.351 0.030 . 1 . . . . 22 LEU HA . 11367 1 266 . 1 1 22 22 LEU HB2 H 1 1.592 0.030 . 2 . . . . 22 LEU HB2 . 11367 1 267 . 1 1 22 22 LEU HB3 H 1 1.479 0.030 . 2 . . . . 22 LEU HB3 . 11367 1 268 . 1 1 22 22 LEU HD11 H 1 0.858 0.030 . 1 . . . . 22 LEU HD1 . 11367 1 269 . 1 1 22 22 LEU HD12 H 1 0.858 0.030 . 1 . . . . 22 LEU HD1 . 11367 1 270 . 1 1 22 22 LEU HD13 H 1 0.858 0.030 . 1 . . . . 22 LEU HD1 . 11367 1 271 . 1 1 22 22 LEU HD21 H 1 0.797 0.030 . 1 . . . . 22 LEU HD2 . 11367 1 272 . 1 1 22 22 LEU HD22 H 1 0.797 0.030 . 1 . . . . 22 LEU HD2 . 11367 1 273 . 1 1 22 22 LEU HD23 H 1 0.797 0.030 . 1 . . . . 22 LEU HD2 . 11367 1 274 . 1 1 22 22 LEU HG H 1 1.649 0.030 . 1 . . . . 22 LEU HG . 11367 1 275 . 1 1 22 22 LEU C C 13 177.394 0.300 . 1 . . . . 22 LEU C . 11367 1 276 . 1 1 22 22 LEU CA C 13 55.073 0.300 . 1 . . . . 22 LEU CA . 11367 1 277 . 1 1 22 22 LEU CB C 13 42.793 0.300 . 1 . . . . 22 LEU CB . 11367 1 278 . 1 1 22 22 LEU CD1 C 13 25.562 0.300 . 2 . . . . 22 LEU CD1 . 11367 1 279 . 1 1 22 22 LEU CD2 C 13 23.499 0.300 . 2 . . . . 22 LEU CD2 . 11367 1 280 . 1 1 22 22 LEU CG C 13 27.259 0.300 . 1 . . . . 22 LEU CG . 11367 1 281 . 1 1 22 22 LEU N N 15 122.784 0.300 . 1 . . . . 22 LEU N . 11367 1 282 . 1 1 23 23 SER H H 1 8.684 0.030 . 1 . . . . 23 SER H . 11367 1 283 . 1 1 23 23 SER HA H 1 4.453 0.030 . 1 . . . . 23 SER HA . 11367 1 284 . 1 1 23 23 SER HB2 H 1 4.124 0.030 . 2 . . . . 23 SER HB2 . 11367 1 285 . 1 1 23 23 SER HB3 H 1 3.901 0.030 . 2 . . . . 23 SER HB3 . 11367 1 286 . 1 1 23 23 SER C C 13 174.520 0.300 . 1 . . . . 23 SER C . 11367 1 287 . 1 1 23 23 SER CA C 13 57.468 0.300 . 1 . . . . 23 SER CA . 11367 1 288 . 1 1 23 23 SER CB C 13 64.905 0.300 . 1 . . . . 23 SER CB . 11367 1 289 . 1 1 23 23 SER N N 15 117.673 0.300 . 1 . . . . 23 SER N . 11367 1 290 . 1 1 24 24 ASP H H 1 8.649 0.030 . 1 . . . . 24 ASP H . 11367 1 291 . 1 1 24 24 ASP HA H 1 4.403 0.030 . 1 . . . . 24 ASP HA . 11367 1 292 . 1 1 24 24 ASP HB2 H 1 2.685 0.030 . 2 . . . . 24 ASP HB2 . 11367 1 293 . 1 1 24 24 ASP HB3 H 1 2.576 0.030 . 2 . . . . 24 ASP HB3 . 11367 1 294 . 1 1 24 24 ASP C C 13 177.476 0.300 . 1 . . . . 24 ASP C . 11367 1 295 . 1 1 24 24 ASP CA C 13 56.582 0.300 . 1 . . . . 24 ASP CA . 11367 1 296 . 1 1 24 24 ASP CB C 13 40.402 0.300 . 1 . . . . 24 ASP CB . 11367 1 297 . 1 1 24 24 ASP N N 15 121.941 0.300 . 1 . . . . 24 ASP N . 11367 1 298 . 1 1 25 25 GLU H H 1 8.433 0.030 . 1 . . . . 25 GLU H . 11367 1 299 . 1 1 25 25 GLU HA H 1 4.118 0.030 . 1 . . . . 25 GLU HA . 11367 1 300 . 1 1 25 25 GLU HB2 H 1 1.959 0.030 . 1 . . . . 25 GLU HB2 . 11367 1 301 . 1 1 25 25 GLU HB3 H 1 1.959 0.030 . 1 . . . . 25 GLU HB3 . 11367 1 302 . 1 1 25 25 GLU HG2 H 1 2.262 0.030 . 1 . . . . 25 GLU HG2 . 11367 1 303 . 1 1 25 25 GLU HG3 H 1 2.262 0.030 . 1 . . . . 25 GLU HG3 . 11367 1 304 . 1 1 25 25 GLU C C 13 178.409 0.300 . 1 . . . . 25 GLU C . 11367 1 305 . 1 1 25 25 GLU CA C 13 58.639 0.300 . 1 . . . . 25 GLU CA . 11367 1 306 . 1 1 25 25 GLU CB C 13 29.630 0.300 . 1 . . . . 25 GLU CB . 11367 1 307 . 1 1 25 25 GLU CG C 13 36.614 0.300 . 1 . . . . 25 GLU CG . 11367 1 308 . 1 1 25 25 GLU N N 15 119.276 0.300 . 1 . . . . 25 GLU N . 11367 1 309 . 1 1 26 26 GLU H H 1 7.910 0.030 . 1 . . . . 26 GLU H . 11367 1 310 . 1 1 26 26 GLU HA H 1 4.079 0.030 . 1 . . . . 26 GLU HA . 11367 1 311 . 1 1 26 26 GLU HB2 H 1 2.117 0.030 . 2 . . . . 26 GLU HB2 . 11367 1 312 . 1 1 26 26 GLU HB3 H 1 1.973 0.030 . 2 . . . . 26 GLU HB3 . 11367 1 313 . 1 1 26 26 GLU HG2 H 1 2.183 0.030 . 2 . . . . 26 GLU HG2 . 11367 1 314 . 1 1 26 26 GLU HG3 H 1 2.260 0.030 . 2 . . . . 26 GLU HG3 . 11367 1 315 . 1 1 26 26 GLU C C 13 178.155 0.300 . 1 . . . . 26 GLU C . 11367 1 316 . 1 1 26 26 GLU CA C 13 58.008 0.300 . 1 . . . . 26 GLU CA . 11367 1 317 . 1 1 26 26 GLU CB C 13 30.327 0.300 . 1 . . . . 26 GLU CB . 11367 1 318 . 1 1 26 26 GLU CG C 13 37.139 0.300 . 1 . . . . 26 GLU CG . 11367 1 319 . 1 1 26 26 GLU N N 15 120.895 0.300 . 1 . . . . 26 GLU N . 11367 1 320 . 1 1 27 27 LEU H H 1 8.148 0.030 . 1 . . . . 27 LEU H . 11367 1 321 . 1 1 27 27 LEU HA H 1 4.102 0.030 . 1 . . . . 27 LEU HA . 11367 1 322 . 1 1 27 27 LEU HB2 H 1 1.697 0.030 . 2 . . . . 27 LEU HB2 . 11367 1 323 . 1 1 27 27 LEU HB3 H 1 1.464 0.030 . 2 . . . . 27 LEU HB3 . 11367 1 324 . 1 1 27 27 LEU HD11 H 1 0.827 0.030 . 1 . . . . 27 LEU HD1 . 11367 1 325 . 1 1 27 27 LEU HD12 H 1 0.827 0.030 . 1 . . . . 27 LEU HD1 . 11367 1 326 . 1 1 27 27 LEU HD13 H 1 0.827 0.030 . 1 . . . . 27 LEU HD1 . 11367 1 327 . 1 1 27 27 LEU HD21 H 1 0.813 0.030 . 1 . . . . 27 LEU HD2 . 11367 1 328 . 1 1 27 27 LEU HD22 H 1 0.813 0.030 . 1 . . . . 27 LEU HD2 . 11367 1 329 . 1 1 27 27 LEU HD23 H 1 0.813 0.030 . 1 . . . . 27 LEU HD2 . 11367 1 330 . 1 1 27 27 LEU HG H 1 1.598 0.030 . 1 . . . . 27 LEU HG . 11367 1 331 . 1 1 27 27 LEU C C 13 178.304 0.300 . 1 . . . . 27 LEU C . 11367 1 332 . 1 1 27 27 LEU CA C 13 57.090 0.300 . 1 . . . . 27 LEU CA . 11367 1 333 . 1 1 27 27 LEU CB C 13 42.058 0.300 . 1 . . . . 27 LEU CB . 11367 1 334 . 1 1 27 27 LEU CD1 C 13 25.226 0.300 . 2 . . . . 27 LEU CD1 . 11367 1 335 . 1 1 27 27 LEU CD2 C 13 23.915 0.300 . 2 . . . . 27 LEU CD2 . 11367 1 336 . 1 1 27 27 LEU CG C 13 26.889 0.300 . 1 . . . . 27 LEU CG . 11367 1 337 . 1 1 27 27 LEU N N 15 121.789 0.300 . 1 . . . . 27 LEU N . 11367 1 338 . 1 1 28 28 ASP H H 1 8.128 0.030 . 1 . . . . 28 ASP H . 11367 1 339 . 1 1 28 28 ASP HA H 1 4.408 0.030 . 1 . . . . 28 ASP HA . 11367 1 340 . 1 1 28 28 ASP HB2 H 1 2.632 0.030 . 1 . . . . 28 ASP HB2 . 11367 1 341 . 1 1 28 28 ASP HB3 H 1 2.632 0.030 . 1 . . . . 28 ASP HB3 . 11367 1 342 . 1 1 28 28 ASP C C 13 176.986 0.300 . 1 . . . . 28 ASP C . 11367 1 343 . 1 1 28 28 ASP CA C 13 55.880 0.300 . 1 . . . . 28 ASP CA . 11367 1 344 . 1 1 28 28 ASP CB C 13 41.003 0.300 . 1 . . . . 28 ASP CB . 11367 1 345 . 1 1 28 28 ASP N N 15 119.254 0.300 . 1 . . . . 28 ASP N . 11367 1 346 . 1 1 29 29 ALA H H 1 7.552 0.030 . 1 . . . . 29 ALA H . 11367 1 347 . 1 1 29 29 ALA HA H 1 4.144 0.030 . 1 . . . . 29 ALA HA . 11367 1 348 . 1 1 29 29 ALA HB1 H 1 1.350 0.030 . 1 . . . . 29 ALA HB . 11367 1 349 . 1 1 29 29 ALA HB2 H 1 1.350 0.030 . 1 . . . . 29 ALA HB . 11367 1 350 . 1 1 29 29 ALA HB3 H 1 1.350 0.030 . 1 . . . . 29 ALA HB . 11367 1 351 . 1 1 29 29 ALA C C 13 178.339 0.300 . 1 . . . . 29 ALA C . 11367 1 352 . 1 1 29 29 ALA CA C 13 53.139 0.300 . 1 . . . . 29 ALA CA . 11367 1 353 . 1 1 29 29 ALA CB C 13 18.897 0.300 . 1 . . . . 29 ALA CB . 11367 1 354 . 1 1 29 29 ALA N N 15 120.631 0.300 . 1 . . . . 29 ALA N . 11367 1 355 . 1 1 30 30 MET H H 1 7.792 0.030 . 1 . . . . 30 MET H . 11367 1 356 . 1 1 30 30 MET HA H 1 4.103 0.030 . 1 . . . . 30 MET HA . 11367 1 357 . 1 1 30 30 MET HB2 H 1 2.352 0.030 . 2 . . . . 30 MET HB2 . 11367 1 358 . 1 1 30 30 MET HB3 H 1 2.153 0.030 . 2 . . . . 30 MET HB3 . 11367 1 359 . 1 1 30 30 MET HE1 H 1 1.930 0.030 . 1 . . . . 30 MET HE . 11367 1 360 . 1 1 30 30 MET HE2 H 1 1.930 0.030 . 1 . . . . 30 MET HE . 11367 1 361 . 1 1 30 30 MET HE3 H 1 1.930 0.030 . 1 . . . . 30 MET HE . 11367 1 362 . 1 1 30 30 MET HG2 H 1 1.825 0.030 . 2 . . . . 30 MET HG2 . 11367 1 363 . 1 1 30 30 MET HG3 H 1 1.646 0.030 . 2 . . . . 30 MET HG3 . 11367 1 364 . 1 1 30 30 MET C C 13 175.620 0.300 . 1 . . . . 30 MET C . 11367 1 365 . 1 1 30 30 MET CA C 13 56.513 0.300 . 1 . . . . 30 MET CA . 11367 1 366 . 1 1 30 30 MET CB C 13 31.981 0.300 . 1 . . . . 30 MET CB . 11367 1 367 . 1 1 30 30 MET CE C 13 16.872 0.300 . 1 . . . . 30 MET CE . 11367 1 368 . 1 1 30 30 MET CG C 13 33.488 0.300 . 1 . . . . 30 MET CG . 11367 1 369 . 1 1 30 30 MET N N 15 117.176 0.300 . 1 . . . . 30 MET N . 11367 1 370 . 1 1 31 31 PHE H H 1 7.870 0.030 . 1 . . . . 31 PHE H . 11367 1 371 . 1 1 31 31 PHE HA H 1 4.870 0.030 . 1 . . . . 31 PHE HA . 11367 1 372 . 1 1 31 31 PHE HB2 H 1 2.821 0.030 . 2 . . . . 31 PHE HB2 . 11367 1 373 . 1 1 31 31 PHE HB3 H 1 2.966 0.030 . 2 . . . . 31 PHE HB3 . 11367 1 374 . 1 1 31 31 PHE HD1 H 1 7.160 0.030 . 1 . . . . 31 PHE HD1 . 11367 1 375 . 1 1 31 31 PHE HD2 H 1 7.160 0.030 . 1 . . . . 31 PHE HD2 . 11367 1 376 . 1 1 31 31 PHE HE1 H 1 7.207 0.030 . 1 . . . . 31 PHE HE1 . 11367 1 377 . 1 1 31 31 PHE HE2 H 1 7.207 0.030 . 1 . . . . 31 PHE HE2 . 11367 1 378 . 1 1 31 31 PHE C C 13 173.683 0.300 . 1 . . . . 31 PHE C . 11367 1 379 . 1 1 31 31 PHE CA C 13 55.304 0.300 . 1 . . . . 31 PHE CA . 11367 1 380 . 1 1 31 31 PHE CB C 13 39.156 0.300 . 1 . . . . 31 PHE CB . 11367 1 381 . 1 1 31 31 PHE CD1 C 13 132.306 0.300 . 1 . . . . 31 PHE CD1 . 11367 1 382 . 1 1 31 31 PHE CD2 C 13 132.306 0.300 . 1 . . . . 31 PHE CD2 . 11367 1 383 . 1 1 31 31 PHE CE1 C 13 131.093 0.300 . 1 . . . . 31 PHE CE1 . 11367 1 384 . 1 1 31 31 PHE CE2 C 13 131.093 0.300 . 1 . . . . 31 PHE CE2 . 11367 1 385 . 1 1 31 31 PHE N N 15 118.794 0.300 . 1 . . . . 31 PHE N . 11367 1 386 . 1 1 32 32 PRO HA H 1 4.426 0.030 . 1 . . . . 32 PRO HA . 11367 1 387 . 1 1 32 32 PRO HB2 H 1 2.268 0.030 . 2 . . . . 32 PRO HB2 . 11367 1 388 . 1 1 32 32 PRO HB3 H 1 1.910 0.030 . 2 . . . . 32 PRO HB3 . 11367 1 389 . 1 1 32 32 PRO HD2 H 1 3.498 0.030 . 1 . . . . 32 PRO HD2 . 11367 1 390 . 1 1 32 32 PRO HD3 H 1 3.498 0.030 . 1 . . . . 32 PRO HD3 . 11367 1 391 . 1 1 32 32 PRO HG2 H 1 1.925 0.030 . 1 . . . . 32 PRO HG2 . 11367 1 392 . 1 1 32 32 PRO HG3 H 1 1.925 0.030 . 1 . . . . 32 PRO HG3 . 11367 1 393 . 1 1 32 32 PRO C C 13 177.409 0.300 . 1 . . . . 32 PRO C . 11367 1 394 . 1 1 32 32 PRO CA C 13 63.810 0.300 . 1 . . . . 32 PRO CA . 11367 1 395 . 1 1 32 32 PRO CB C 13 32.047 0.300 . 1 . . . . 32 PRO CB . 11367 1 396 . 1 1 32 32 PRO CD C 13 50.487 0.300 . 1 . . . . 32 PRO CD . 11367 1 397 . 1 1 32 32 PRO CG C 13 27.360 0.300 . 1 . . . . 32 PRO CG . 11367 1 398 . 1 1 33 33 GLU H H 1 8.624 0.030 . 1 . . . . 33 GLU H . 11367 1 399 . 1 1 33 33 GLU HA H 1 4.226 0.030 . 1 . . . . 33 GLU HA . 11367 1 400 . 1 1 33 33 GLU HB2 H 1 2.049 0.030 . 2 . . . . 33 GLU HB2 . 11367 1 401 . 1 1 33 33 GLU HB3 H 1 1.944 0.030 . 2 . . . . 33 GLU HB3 . 11367 1 402 . 1 1 33 33 GLU HG2 H 1 2.254 0.030 . 1 . . . . 33 GLU HG2 . 11367 1 403 . 1 1 33 33 GLU HG3 H 1 2.254 0.030 . 1 . . . . 33 GLU HG3 . 11367 1 404 . 1 1 33 33 GLU C C 13 177.196 0.300 . 1 . . . . 33 GLU C . 11367 1 405 . 1 1 33 33 GLU CA C 13 57.119 0.300 . 1 . . . . 33 GLU CA . 11367 1 406 . 1 1 33 33 GLU CB C 13 29.688 0.300 . 1 . . . . 33 GLU CB . 11367 1 407 . 1 1 33 33 GLU CG C 13 36.256 0.300 . 1 . . . . 33 GLU CG . 11367 1 408 . 1 1 33 33 GLU N N 15 119.521 0.300 . 1 . . . . 33 GLU N . 11367 1 409 . 1 1 34 34 GLY H H 1 8.271 0.030 . 1 . . . . 34 GLY H . 11367 1 410 . 1 1 34 34 GLY HA2 H 1 3.763 0.030 . 2 . . . . 34 GLY HA2 . 11367 1 411 . 1 1 34 34 GLY HA3 H 1 4.043 0.030 . 2 . . . . 34 GLY HA3 . 11367 1 412 . 1 1 34 34 GLY C C 13 173.755 0.300 . 1 . . . . 34 GLY C . 11367 1 413 . 1 1 34 34 GLY CA C 13 45.172 0.300 . 1 . . . . 34 GLY CA . 11367 1 414 . 1 1 34 34 GLY N N 15 110.040 0.300 . 1 . . . . 34 GLY N . 11367 1 415 . 1 1 35 35 TYR H H 1 7.944 0.030 . 1 . . . . 35 TYR H . 11367 1 416 . 1 1 35 35 TYR HA H 1 4.365 0.030 . 1 . . . . 35 TYR HA . 11367 1 417 . 1 1 35 35 TYR HB2 H 1 2.858 0.030 . 1 . . . . 35 TYR HB2 . 11367 1 418 . 1 1 35 35 TYR HB3 H 1 2.858 0.030 . 1 . . . . 35 TYR HB3 . 11367 1 419 . 1 1 35 35 TYR HD1 H 1 6.867 0.030 . 1 . . . . 35 TYR HD1 . 11367 1 420 . 1 1 35 35 TYR HD2 H 1 6.867 0.030 . 1 . . . . 35 TYR HD2 . 11367 1 421 . 1 1 35 35 TYR HE1 H 1 6.660 0.030 . 1 . . . . 35 TYR HE1 . 11367 1 422 . 1 1 35 35 TYR HE2 H 1 6.660 0.030 . 1 . . . . 35 TYR HE2 . 11367 1 423 . 1 1 35 35 TYR C C 13 175.161 0.300 . 1 . . . . 35 TYR C . 11367 1 424 . 1 1 35 35 TYR CA C 13 58.151 0.300 . 1 . . . . 35 TYR CA . 11367 1 425 . 1 1 35 35 TYR CB C 13 38.789 0.300 . 1 . . . . 35 TYR CB . 11367 1 426 . 1 1 35 35 TYR CD1 C 13 133.094 0.300 . 1 . . . . 35 TYR CD1 . 11367 1 427 . 1 1 35 35 TYR CD2 C 13 133.094 0.300 . 1 . . . . 35 TYR CD2 . 11367 1 428 . 1 1 35 35 TYR CE1 C 13 118.187 0.300 . 1 . . . . 35 TYR CE1 . 11367 1 429 . 1 1 35 35 TYR CE2 C 13 118.187 0.300 . 1 . . . . 35 TYR CE2 . 11367 1 430 . 1 1 35 35 TYR N N 15 120.286 0.300 . 1 . . . . 35 TYR N . 11367 1 431 . 1 1 36 36 LYS H H 1 7.846 0.030 . 1 . . . . 36 LYS H . 11367 1 432 . 1 1 36 36 LYS HA H 1 4.139 0.030 . 1 . . . . 36 LYS HA . 11367 1 433 . 1 1 36 36 LYS HB2 H 1 1.640 0.030 . 2 . . . . 36 LYS HB2 . 11367 1 434 . 1 1 36 36 LYS HB3 H 1 1.540 0.030 . 2 . . . . 36 LYS HB3 . 11367 1 435 . 1 1 36 36 LYS HD2 H 1 1.545 0.030 . 1 . . . . 36 LYS HD2 . 11367 1 436 . 1 1 36 36 LYS HD3 H 1 1.545 0.030 . 1 . . . . 36 LYS HD3 . 11367 1 437 . 1 1 36 36 LYS HE2 H 1 2.871 0.030 . 1 . . . . 36 LYS HE2 . 11367 1 438 . 1 1 36 36 LYS HE3 H 1 2.871 0.030 . 1 . . . . 36 LYS HE3 . 11367 1 439 . 1 1 36 36 LYS HG2 H 1 1.185 0.030 . 1 . . . . 36 LYS HG2 . 11367 1 440 . 1 1 36 36 LYS HG3 H 1 1.185 0.030 . 1 . . . . 36 LYS HG3 . 11367 1 441 . 1 1 36 36 LYS C C 13 175.400 0.300 . 1 . . . . 36 LYS C . 11367 1 442 . 1 1 36 36 LYS CA C 13 55.905 0.300 . 1 . . . . 36 LYS CA . 11367 1 443 . 1 1 36 36 LYS CB C 13 33.352 0.300 . 1 . . . . 36 LYS CB . 11367 1 444 . 1 1 36 36 LYS CD C 13 29.088 0.300 . 1 . . . . 36 LYS CD . 11367 1 445 . 1 1 36 36 LYS CE C 13 42.153 0.300 . 1 . . . . 36 LYS CE . 11367 1 446 . 1 1 36 36 LYS CG C 13 24.672 0.300 . 1 . . . . 36 LYS CG . 11367 1 447 . 1 1 36 36 LYS N N 15 123.472 0.300 . 1 . . . . 36 LYS N . 11367 1 448 . 1 1 37 37 VAL H H 1 7.867 0.030 . 1 . . . . 37 VAL H . 11367 1 449 . 1 1 37 37 VAL HA H 1 3.958 0.030 . 1 . . . . 37 VAL HA . 11367 1 450 . 1 1 37 37 VAL HB H 1 1.928 0.030 . 1 . . . . 37 VAL HB . 11367 1 451 . 1 1 37 37 VAL HG11 H 1 0.842 0.030 . 1 . . . . 37 VAL HG1 . 11367 1 452 . 1 1 37 37 VAL HG12 H 1 0.842 0.030 . 1 . . . . 37 VAL HG1 . 11367 1 453 . 1 1 37 37 VAL HG13 H 1 0.842 0.030 . 1 . . . . 37 VAL HG1 . 11367 1 454 . 1 1 37 37 VAL HG21 H 1 0.835 0.030 . 1 . . . . 37 VAL HG2 . 11367 1 455 . 1 1 37 37 VAL HG22 H 1 0.835 0.030 . 1 . . . . 37 VAL HG2 . 11367 1 456 . 1 1 37 37 VAL HG23 H 1 0.835 0.030 . 1 . . . . 37 VAL HG2 . 11367 1 457 . 1 1 37 37 VAL C C 13 175.647 0.300 . 1 . . . . 37 VAL C . 11367 1 458 . 1 1 37 37 VAL CA C 13 62.046 0.300 . 1 . . . . 37 VAL CA . 11367 1 459 . 1 1 37 37 VAL CB C 13 32.717 0.300 . 1 . . . . 37 VAL CB . 11367 1 460 . 1 1 37 37 VAL CG1 C 13 20.701 0.300 . 2 . . . . 37 VAL CG1 . 11367 1 461 . 1 1 37 37 VAL CG2 C 13 21.163 0.300 . 2 . . . . 37 VAL CG2 . 11367 1 462 . 1 1 37 37 VAL N N 15 121.371 0.300 . 1 . . . . 37 VAL N . 11367 1 463 . 1 1 38 38 LEU H H 1 8.231 0.030 . 1 . . . . 38 LEU H . 11367 1 464 . 1 1 38 38 LEU HA H 1 4.566 0.030 . 1 . . . . 38 LEU HA . 11367 1 465 . 1 1 38 38 LEU HB2 H 1 1.528 0.030 . 2 . . . . 38 LEU HB2 . 11367 1 466 . 1 1 38 38 LEU HB3 H 1 1.485 0.030 . 2 . . . . 38 LEU HB3 . 11367 1 467 . 1 1 38 38 LEU HD11 H 1 0.868 0.030 . 1 . . . . 38 LEU HD1 . 11367 1 468 . 1 1 38 38 LEU HD12 H 1 0.868 0.030 . 1 . . . . 38 LEU HD1 . 11367 1 469 . 1 1 38 38 LEU HD13 H 1 0.868 0.030 . 1 . . . . 38 LEU HD1 . 11367 1 470 . 1 1 38 38 LEU HD21 H 1 0.825 0.030 . 1 . . . . 38 LEU HD2 . 11367 1 471 . 1 1 38 38 LEU HD22 H 1 0.825 0.030 . 1 . . . . 38 LEU HD2 . 11367 1 472 . 1 1 38 38 LEU HD23 H 1 0.825 0.030 . 1 . . . . 38 LEU HD2 . 11367 1 473 . 1 1 38 38 LEU HG H 1 1.601 0.030 . 1 . . . . 38 LEU HG . 11367 1 474 . 1 1 38 38 LEU C C 13 174.439 0.300 . 1 . . . . 38 LEU C . 11367 1 475 . 1 1 38 38 LEU CA C 13 52.681 0.300 . 1 . . . . 38 LEU CA . 11367 1 476 . 1 1 38 38 LEU CB C 13 41.760 0.300 . 1 . . . . 38 LEU CB . 11367 1 477 . 1 1 38 38 LEU CD1 C 13 25.190 0.300 . 2 . . . . 38 LEU CD1 . 11367 1 478 . 1 1 38 38 LEU CD2 C 13 23.435 0.300 . 2 . . . . 38 LEU CD2 . 11367 1 479 . 1 1 38 38 LEU CG C 13 26.937 0.300 . 1 . . . . 38 LEU CG . 11367 1 480 . 1 1 38 38 LEU N N 15 128.209 0.300 . 1 . . . . 38 LEU N . 11367 1 481 . 1 1 39 39 PRO HA H 1 4.570 0.030 . 1 . . . . 39 PRO HA . 11367 1 482 . 1 1 39 39 PRO HB2 H 1 1.787 0.030 . 2 . . . . 39 PRO HB2 . 11367 1 483 . 1 1 39 39 PRO HB3 H 1 2.161 0.030 . 2 . . . . 39 PRO HB3 . 11367 1 484 . 1 1 39 39 PRO HD2 H 1 3.548 0.030 . 2 . . . . 39 PRO HD2 . 11367 1 485 . 1 1 39 39 PRO HD3 H 1 3.767 0.030 . 2 . . . . 39 PRO HD3 . 11367 1 486 . 1 1 39 39 PRO HG2 H 1 1.930 0.030 . 1 . . . . 39 PRO HG2 . 11367 1 487 . 1 1 39 39 PRO HG3 H 1 1.930 0.030 . 1 . . . . 39 PRO HG3 . 11367 1 488 . 1 1 39 39 PRO CA C 13 61.279 0.300 . 1 . . . . 39 PRO CA . 11367 1 489 . 1 1 39 39 PRO CB C 13 30.650 0.300 . 1 . . . . 39 PRO CB . 11367 1 490 . 1 1 39 39 PRO CD C 13 50.476 0.300 . 1 . . . . 39 PRO CD . 11367 1 491 . 1 1 39 39 PRO CG C 13 27.324 0.300 . 1 . . . . 39 PRO CG . 11367 1 492 . 1 1 40 40 PRO HA H 1 4.600 0.030 . 1 . . . . 40 PRO HA . 11367 1 493 . 1 1 40 40 PRO HB2 H 1 1.815 0.030 . 2 . . . . 40 PRO HB2 . 11367 1 494 . 1 1 40 40 PRO HB3 H 1 2.231 0.030 . 2 . . . . 40 PRO HB3 . 11367 1 495 . 1 1 40 40 PRO HD2 H 1 3.455 0.030 . 2 . . . . 40 PRO HD2 . 11367 1 496 . 1 1 40 40 PRO HD3 H 1 3.690 0.030 . 2 . . . . 40 PRO HD3 . 11367 1 497 . 1 1 40 40 PRO HG2 H 1 1.925 0.030 . 1 . . . . 40 PRO HG2 . 11367 1 498 . 1 1 40 40 PRO HG3 H 1 1.925 0.030 . 1 . . . . 40 PRO HG3 . 11367 1 499 . 1 1 40 40 PRO CA C 13 61.203 0.300 . 1 . . . . 40 PRO CA . 11367 1 500 . 1 1 40 40 PRO CB C 13 30.640 0.300 . 1 . . . . 40 PRO CB . 11367 1 501 . 1 1 40 40 PRO CD C 13 50.263 0.300 . 1 . . . . 40 PRO CD . 11367 1 502 . 1 1 40 40 PRO CG C 13 27.186 0.300 . 1 . . . . 40 PRO CG . 11367 1 503 . 1 1 41 41 PRO HA H 1 4.336 0.030 . 1 . . . . 41 PRO HA . 11367 1 504 . 1 1 41 41 PRO HB2 H 1 1.854 0.030 . 2 . . . . 41 PRO HB2 . 11367 1 505 . 1 1 41 41 PRO HB3 H 1 2.217 0.030 . 2 . . . . 41 PRO HB3 . 11367 1 506 . 1 1 41 41 PRO HD2 H 1 3.715 0.030 . 2 . . . . 41 PRO HD2 . 11367 1 507 . 1 1 41 41 PRO HD3 H 1 3.490 0.030 . 2 . . . . 41 PRO HD3 . 11367 1 508 . 1 1 41 41 PRO HG2 H 1 1.939 0.030 . 1 . . . . 41 PRO HG2 . 11367 1 509 . 1 1 41 41 PRO HG3 H 1 1.939 0.030 . 1 . . . . 41 PRO HG3 . 11367 1 510 . 1 1 41 41 PRO C C 13 176.680 0.300 . 1 . . . . 41 PRO C . 11367 1 511 . 1 1 41 41 PRO CA C 13 62.908 0.300 . 1 . . . . 41 PRO CA . 11367 1 512 . 1 1 41 41 PRO CB C 13 32.004 0.300 . 1 . . . . 41 PRO CB . 11367 1 513 . 1 1 41 41 PRO CD C 13 50.251 0.300 . 1 . . . . 41 PRO CD . 11367 1 514 . 1 1 41 41 PRO CG C 13 27.307 0.300 . 1 . . . . 41 PRO CG . 11367 1 515 . 1 1 42 42 ALA H H 1 8.322 0.030 . 1 . . . . 42 ALA H . 11367 1 516 . 1 1 42 42 ALA HA H 1 4.231 0.030 . 1 . . . . 42 ALA HA . 11367 1 517 . 1 1 42 42 ALA HB1 H 1 1.341 0.030 . 1 . . . . 42 ALA HB . 11367 1 518 . 1 1 42 42 ALA HB2 H 1 1.341 0.030 . 1 . . . . 42 ALA HB . 11367 1 519 . 1 1 42 42 ALA HB3 H 1 1.341 0.030 . 1 . . . . 42 ALA HB . 11367 1 520 . 1 1 42 42 ALA C C 13 178.404 0.300 . 1 . . . . 42 ALA C . 11367 1 521 . 1 1 42 42 ALA CA C 13 52.794 0.300 . 1 . . . . 42 ALA CA . 11367 1 522 . 1 1 42 42 ALA CB C 13 19.015 0.300 . 1 . . . . 42 ALA CB . 11367 1 523 . 1 1 42 42 ALA N N 15 123.893 0.300 . 1 . . . . 42 ALA N . 11367 1 524 . 1 1 43 43 GLY H H 1 8.338 0.030 . 1 . . . . 43 GLY H . 11367 1 525 . 1 1 43 43 GLY HA2 H 1 3.903 0.030 . 2 . . . . 43 GLY HA2 . 11367 1 526 . 1 1 43 43 GLY HA3 H 1 3.825 0.030 . 2 . . . . 43 GLY HA3 . 11367 1 527 . 1 1 43 43 GLY C C 13 173.492 0.300 . 1 . . . . 43 GLY C . 11367 1 528 . 1 1 43 43 GLY CA C 13 45.114 0.300 . 1 . . . . 43 GLY CA . 11367 1 529 . 1 1 43 43 GLY N N 15 108.432 0.300 . 1 . . . . 43 GLY N . 11367 1 530 . 1 1 44 44 TYR H H 1 7.889 0.030 . 1 . . . . 44 TYR H . 11367 1 531 . 1 1 44 44 TYR HA H 1 4.473 0.030 . 1 . . . . 44 TYR HA . 11367 1 532 . 1 1 44 44 TYR HB2 H 1 2.957 0.030 . 2 . . . . 44 TYR HB2 . 11367 1 533 . 1 1 44 44 TYR HB3 H 1 2.852 0.030 . 2 . . . . 44 TYR HB3 . 11367 1 534 . 1 1 44 44 TYR HD1 H 1 7.014 0.030 . 1 . . . . 44 TYR HD1 . 11367 1 535 . 1 1 44 44 TYR HD2 H 1 7.014 0.030 . 1 . . . . 44 TYR HD2 . 11367 1 536 . 1 1 44 44 TYR HE1 H 1 6.757 0.030 . 1 . . . . 44 TYR HE1 . 11367 1 537 . 1 1 44 44 TYR HE2 H 1 6.757 0.030 . 1 . . . . 44 TYR HE2 . 11367 1 538 . 1 1 44 44 TYR C C 13 174.907 0.300 . 1 . . . . 44 TYR C . 11367 1 539 . 1 1 44 44 TYR CA C 13 58.149 0.300 . 1 . . . . 44 TYR CA . 11367 1 540 . 1 1 44 44 TYR CB C 13 38.998 0.300 . 1 . . . . 44 TYR CB . 11367 1 541 . 1 1 44 44 TYR CD1 C 13 133.046 0.300 . 1 . . . . 44 TYR CD1 . 11367 1 542 . 1 1 44 44 TYR CD2 C 13 133.046 0.300 . 1 . . . . 44 TYR CD2 . 11367 1 543 . 1 1 44 44 TYR CE1 C 13 118.082 0.300 . 1 . . . . 44 TYR CE1 . 11367 1 544 . 1 1 44 44 TYR CE2 C 13 118.082 0.300 . 1 . . . . 44 TYR CE2 . 11367 1 545 . 1 1 44 44 TYR N N 15 120.631 0.300 . 1 . . . . 44 TYR N . 11367 1 546 . 1 1 45 45 VAL H H 1 7.861 0.030 . 1 . . . . 45 VAL H . 11367 1 547 . 1 1 45 45 VAL HA H 1 4.249 0.030 . 1 . . . . 45 VAL HA . 11367 1 548 . 1 1 45 45 VAL HB H 1 1.919 0.030 . 1 . . . . 45 VAL HB . 11367 1 549 . 1 1 45 45 VAL HG11 H 1 0.886 0.030 . 1 . . . . 45 VAL HG1 . 11367 1 550 . 1 1 45 45 VAL HG12 H 1 0.886 0.030 . 1 . . . . 45 VAL HG1 . 11367 1 551 . 1 1 45 45 VAL HG13 H 1 0.886 0.030 . 1 . . . . 45 VAL HG1 . 11367 1 552 . 1 1 45 45 VAL HG21 H 1 0.827 0.030 . 1 . . . . 45 VAL HG2 . 11367 1 553 . 1 1 45 45 VAL HG22 H 1 0.827 0.030 . 1 . . . . 45 VAL HG2 . 11367 1 554 . 1 1 45 45 VAL HG23 H 1 0.827 0.030 . 1 . . . . 45 VAL HG2 . 11367 1 555 . 1 1 45 45 VAL C C 13 172.831 0.300 . 1 . . . . 45 VAL C . 11367 1 556 . 1 1 45 45 VAL CA C 13 59.242 0.300 . 1 . . . . 45 VAL CA . 11367 1 557 . 1 1 45 45 VAL CB C 13 33.403 0.300 . 1 . . . . 45 VAL CB . 11367 1 558 . 1 1 45 45 VAL CG1 C 13 21.054 0.300 . 2 . . . . 45 VAL CG1 . 11367 1 559 . 1 1 45 45 VAL CG2 C 13 20.357 0.300 . 2 . . . . 45 VAL CG2 . 11367 1 560 . 1 1 45 45 VAL N N 15 127.084 0.300 . 1 . . . . 45 VAL N . 11367 1 561 . 1 1 46 46 PRO HA H 1 4.066 0.030 . 1 . . . . 46 PRO HA . 11367 1 562 . 1 1 46 46 PRO HB2 H 1 1.850 0.030 . 2 . . . . 46 PRO HB2 . 11367 1 563 . 1 1 46 46 PRO HB3 H 1 2.206 0.030 . 2 . . . . 46 PRO HB3 . 11367 1 564 . 1 1 46 46 PRO HD2 H 1 3.582 0.030 . 2 . . . . 46 PRO HD2 . 11367 1 565 . 1 1 46 46 PRO HD3 H 1 3.485 0.030 . 2 . . . . 46 PRO HD3 . 11367 1 566 . 1 1 46 46 PRO HG2 H 1 1.866 0.030 . 2 . . . . 46 PRO HG2 . 11367 1 567 . 1 1 46 46 PRO HG3 H 1 1.929 0.030 . 2 . . . . 46 PRO HG3 . 11367 1 568 . 1 1 46 46 PRO CA C 13 64.331 0.300 . 1 . . . . 46 PRO CA . 11367 1 569 . 1 1 46 46 PRO CB C 13 32.138 0.300 . 1 . . . . 46 PRO CB . 11367 1 570 . 1 1 46 46 PRO CD C 13 50.646 0.300 . 1 . . . . 46 PRO CD . 11367 1 571 . 1 1 46 46 PRO CG C 13 27.081 0.300 . 1 . . . . 46 PRO CG . 11367 1 stop_ save_