data_16176 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16176 _Entry.Title ; Prp40 FF4 domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-02-18 _Entry.Accession_date 2009-02-18 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _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 Roman Bonet . . . 16176 2 Lidia Ruiz . . . 16176 3 Begonya Morales . . . 16176 4 Maria Macias . . . 16176 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16176 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 249 16176 '15N chemical shifts' 61 16176 '1H chemical shifts' 497 16176 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 4 . . 2012-12-07 2009-02-18 update BMRB 'remove outlier 8 ARG H 54.6535, and change 8 ARG N 7.826 to H; 14 LYS H 58.7245 and change 14 LYS N 8.570 to H' 16176 3 . . 2010-06-02 2009-02-18 update BMRB 'edit assembly name' 16176 2 . . 2009-11-13 2009-02-18 update BMRB 'complete entry citation' 16176 1 . . 2009-08-10 2009-02-18 original author 'original release' 16176 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KFD 'BMRB Entry Tracking System' 16176 stop_ save_ ############### # Citations # ############### save_Prp40_FF4_domain _Citation.Sf_category citations _Citation.Sf_framecode Prp40_FF4_domain _Citation.Entry_ID 16176 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19722265 _Citation.Full_citation . _Citation.Title 'Solution structure of the fourth FF domain of yeast Prp40 splicing factor.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full Proteins _Citation.Journal_volume 77 _Citation.Journal_issue 4 _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 1000 _Citation.Page_last 1003 _Citation.Year 2009 _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 Roman Bonet . . . 16176 1 2 Lidia Ruiz . . . 16176 1 3 Begona Morales . . . 16176 1 4 Maria Macias . J. . 16176 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'FF domain' 16176 1 'NMR spectroscopy' 16176 1 phospho-CTD 16176 1 Prp40 16176 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16176 _Assembly.ID 1 _Assembly.Name Prp40-FF4 _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 yeast_Prp40_FF4_domain 1 $yeast_Prp40_FF4_domain A . yes native no no . . . 16176 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_yeast_Prp40_FF4_domain _Entity.Sf_category entity _Entity.Sf_framecode yeast_Prp40_FF4_domain _Entity.Entry_ID 16176 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name yeast_Prp40_FF4_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 ; GAMGNERRILEQKKHYFWLL LQRTYTKTGKPKPSTWDLAS KELGESLEYKALGDEDNIRR QIFEDFKPE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'FF4 domain correspond to residues 488-552 of Prp40.Residues 1-4 in the chem.shift list remain from the cloning after cleavage of the tag' _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7900.010 _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 2KFD . "Prp40 Ff4 Domain" . . . . . 100.00 69 100.00 100.00 4.34e-42 . . . . 16176 1 2 no DBJ GAA24712 . "K7_Prp40p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.10 583 97.01 98.51 2.43e-36 . . . . 16176 1 3 no EMBL CAA81847 . "PRP40 [Saccharomyces cerevisiae]" . . . . . 97.10 583 97.01 98.51 2.43e-36 . . . . 16176 1 4 no EMBL CAY81071 . "Prp40p [Saccharomyces cerevisiae EC1118]" . . . . . 97.10 583 97.01 98.51 2.40e-36 . . . . 16176 1 5 no GB AAB24902 . "MYO2 homolog [Saccharomyces cerevisiae]" . . . . . 97.10 583 97.01 98.51 2.43e-36 . . . . 16176 1 6 no GB AHY76231 . "Prp40p [Saccharomyces cerevisiae YJM993]" . . . . . 97.10 583 97.01 98.51 2.40e-36 . . . . 16176 1 7 no GB AJP40025 . "Prp40p [Saccharomyces cerevisiae YJM1078]" . . . . . 97.10 583 97.01 98.51 2.40e-36 . . . . 16176 1 8 no GB AJS30223 . "Prp40p [Saccharomyces cerevisiae YJM189]" . . . . . 97.10 583 97.01 98.51 2.40e-36 . . . . 16176 1 9 no GB AJS30524 . "Prp40p [Saccharomyces cerevisiae YJM193]" . . . . . 97.10 583 97.01 98.51 2.40e-36 . . . . 16176 1 10 no REF NP_012913 . "Prp40p [Saccharomyces cerevisiae S288c]" . . . . . 97.10 583 97.01 98.51 2.43e-36 . . . . 16176 1 11 no SP P33203 . "RecName: Full=Pre-mRNA-processing protein PRP40" . . . . . 97.10 583 97.01 98.51 2.43e-36 . . . . 16176 1 12 no TPG DAA09144 . "TPA: Prp40p [Saccharomyces cerevisiae S288c]" . . . . . 97.10 583 97.01 98.51 2.43e-36 . . . . 16176 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'splicing factor' 16176 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 . 16176 1 2 . ALA . 16176 1 3 . MET . 16176 1 4 . GLY . 16176 1 5 . ASN . 16176 1 6 . GLU . 16176 1 7 . ARG . 16176 1 8 . ARG . 16176 1 9 . ILE . 16176 1 10 . LEU . 16176 1 11 . GLU . 16176 1 12 . GLN . 16176 1 13 . LYS . 16176 1 14 . LYS . 16176 1 15 . HIS . 16176 1 16 . TYR . 16176 1 17 . PHE . 16176 1 18 . TRP . 16176 1 19 . LEU . 16176 1 20 . LEU . 16176 1 21 . LEU . 16176 1 22 . GLN . 16176 1 23 . ARG . 16176 1 24 . THR . 16176 1 25 . TYR . 16176 1 26 . THR . 16176 1 27 . LYS . 16176 1 28 . THR . 16176 1 29 . GLY . 16176 1 30 . LYS . 16176 1 31 . PRO . 16176 1 32 . LYS . 16176 1 33 . PRO . 16176 1 34 . SER . 16176 1 35 . THR . 16176 1 36 . TRP . 16176 1 37 . ASP . 16176 1 38 . LEU . 16176 1 39 . ALA . 16176 1 40 . SER . 16176 1 41 . LYS . 16176 1 42 . GLU . 16176 1 43 . LEU . 16176 1 44 . GLY . 16176 1 45 . GLU . 16176 1 46 . SER . 16176 1 47 . LEU . 16176 1 48 . GLU . 16176 1 49 . TYR . 16176 1 50 . LYS . 16176 1 51 . ALA . 16176 1 52 . LEU . 16176 1 53 . GLY . 16176 1 54 . ASP . 16176 1 55 . GLU . 16176 1 56 . ASP . 16176 1 57 . ASN . 16176 1 58 . ILE . 16176 1 59 . ARG . 16176 1 60 . ARG . 16176 1 61 . GLN . 16176 1 62 . ILE . 16176 1 63 . PHE . 16176 1 64 . GLU . 16176 1 65 . ASP . 16176 1 66 . PHE . 16176 1 67 . LYS . 16176 1 68 . PRO . 16176 1 69 . GLU . 16176 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 16176 1 . ALA 2 2 16176 1 . MET 3 3 16176 1 . GLY 4 4 16176 1 . ASN 5 5 16176 1 . GLU 6 6 16176 1 . ARG 7 7 16176 1 . ARG 8 8 16176 1 . ILE 9 9 16176 1 . LEU 10 10 16176 1 . GLU 11 11 16176 1 . GLN 12 12 16176 1 . LYS 13 13 16176 1 . LYS 14 14 16176 1 . HIS 15 15 16176 1 . TYR 16 16 16176 1 . PHE 17 17 16176 1 . TRP 18 18 16176 1 . LEU 19 19 16176 1 . LEU 20 20 16176 1 . LEU 21 21 16176 1 . GLN 22 22 16176 1 . ARG 23 23 16176 1 . THR 24 24 16176 1 . TYR 25 25 16176 1 . THR 26 26 16176 1 . LYS 27 27 16176 1 . THR 28 28 16176 1 . GLY 29 29 16176 1 . LYS 30 30 16176 1 . PRO 31 31 16176 1 . LYS 32 32 16176 1 . PRO 33 33 16176 1 . SER 34 34 16176 1 . THR 35 35 16176 1 . TRP 36 36 16176 1 . ASP 37 37 16176 1 . LEU 38 38 16176 1 . ALA 39 39 16176 1 . SER 40 40 16176 1 . LYS 41 41 16176 1 . GLU 42 42 16176 1 . LEU 43 43 16176 1 . GLY 44 44 16176 1 . GLU 45 45 16176 1 . SER 46 46 16176 1 . LEU 47 47 16176 1 . GLU 48 48 16176 1 . TYR 49 49 16176 1 . LYS 50 50 16176 1 . ALA 51 51 16176 1 . LEU 52 52 16176 1 . GLY 53 53 16176 1 . ASP 54 54 16176 1 . GLU 55 55 16176 1 . ASP 56 56 16176 1 . ASN 57 57 16176 1 . ILE 58 58 16176 1 . ARG 59 59 16176 1 . ARG 60 60 16176 1 . GLN 61 61 16176 1 . ILE 62 62 16176 1 . PHE 63 63 16176 1 . GLU 64 64 16176 1 . ASP 65 65 16176 1 . PHE 66 66 16176 1 . LYS 67 67 16176 1 . PRO 68 68 16176 1 . GLU 69 69 16176 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 16176 _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 $yeast_Prp40_FF4_domain . 4932 organism . 'Saccharomyces cerevisiae' yeast . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 16176 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 16176 _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 $yeast_Prp40_FF4_domain . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pETM30 . . . . . . 16176 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_yeast_Prp40_FF4_domain_unlabeled _Sample.Sf_category sample _Sample.Sf_framecode yeast_Prp40_FF4_domain_unlabeled _Sample.Entry_ID 16176 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 'yeast Prp40 FF4 domain' 'natural abundance' . . 1 $yeast_Prp40_FF4_domain . . 0.5 . . mM . . . . 16176 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16176 1 3 'sodium chloride' 'natural abundance' . . . . . . 130 . . mM . . . . 16176 1 4 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 16176 1 5 H20 'natural abundance' . . . . . . 90 . . % . . . . 16176 1 6 D20 'natural abundance' . . . . . . 10 . . % . . . . 16176 1 stop_ save_ save_yeast_Prp40_FF4_domain_labeled _Sample.Sf_category sample _Sample.Sf_framecode yeast_Prp40_FF4_domain_labeled _Sample.Entry_ID 16176 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'yeast Prp40 FF4 domain' '[U-100% 15N]' . . 1 $yeast_Prp40_FF4_domain . . 0.5 . . mM . . . . 16176 2 2 'yeast Prp40 FF4 domain' '[U-100% 13C]' . . 1 $yeast_Prp40_FF4_domain . . 0.5 . . mM . . . . 16176 2 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16176 2 4 'sodium chloride' 'natural abundance' . . . . . . 130 . . mM . . . . 16176 2 5 'sodium azide' 'natural abundance' . . . . . . 0.5 . . mM . . . . 16176 2 6 D20 'natural abundance' . . . . . . 100 . . % . . . . 16176 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 16176 _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' 150 . mM 16176 1 pH 5.8 . pH 16176 1 pressure 1.0 . atm 16176 1 temperature 285 . K 16176 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16176 _Software.ID 1 _Software.Name ARIA _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16176 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16176 1 'structure solution' 16176 1 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16176 _Software.ID 2 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16176 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16176 2 'peak picking' 16176 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16176 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16176 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16176 3 stop_ save_ save_CNSSOLVE _Software.Sf_category software _Software.Sf_framecode CNSSOLVE _Software.Entry_ID 16176 _Software.ID 4 _Software.Name CNSSOLVE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16176 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16176 4 stop_ save_ save_ProcheckNMR _Software.Sf_category software _Software.Sf_framecode ProcheckNMR _Software.Entry_ID 16176 _Software.ID 5 _Software.Name ProcheckNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Laskowski and MacArthur' . . 16176 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16176 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 16176 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16176 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 16176 _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 DRX . 600 . . . 16176 1 2 spectrometer_2 Bruker DRX . 800 . . . 16176 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 16176 _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 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $yeast_Prp40_FF4_domain_unlabeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 2 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $yeast_Prp40_FF4_domain_unlabeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $yeast_Prp40_FF4_domain_labeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 4 '3D HNCACB' no . . . . . . . . . . 2 $yeast_Prp40_FF4_domain_labeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 5 '3D H(CCO)NH' no . . . . . . . . . . 2 $yeast_Prp40_FF4_domain_labeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $yeast_Prp40_FF4_domain_labeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $yeast_Prp40_FF4_domain_labeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $yeast_Prp40_FF4_domain_labeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 9 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $yeast_Prp40_FF4_domain_labeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $yeast_Prp40_FF4_domain_labeled isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 16176 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_bmrb_deposit_reference.str _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode bmrb_deposit_reference.str _Chem_shift_reference.Entry_ID 16176 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 na indirect 0.251449530 . . . 1 $Prp40_FF4_domain . . 1 $Prp40_FF4_domain 16176 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . 1 $Prp40_FF4_domain . . 1 $Prp40_FF4_domain 16176 1 N 15 DSS 'methyl protons' . . . . ppm 0 na indirect 0.101329118 . . . 1 $Prp40_FF4_domain . . 1 $Prp40_FF4_domain 16176 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_bmrb_deposit.str _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode bmrb_deposit.str _Assigned_chem_shift_list.Entry_ID 16176 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $bmrb_deposit_reference.str _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 2 '2D 1H-1H TOCSY' . . . 16176 1 3 '3D CBCA(CO)NH' . . . 16176 1 4 '3D HNCACB' . . . 16176 1 6 '3D HCCH-TOCSY' . . . 16176 1 10 '2D 1H-13C HSQC' . . . 16176 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 3.711 0.100 . 1 . . . . 1 GLY HA1 . 16176 1 2 . 1 1 1 1 GLY HA3 H 1 3.625 0.100 . 1 . . . . 1 GLY HA2 . 16176 1 3 . 1 1 1 1 GLY CA C 13 43.043 0.300 . 1 . . . . 1 GLY CA . 16176 1 4 . 1 1 2 2 ALA H H 1 8.536 0.100 . 1 . . . . 2 ALA HN . 16176 1 5 . 1 1 2 2 ALA HA H 1 4.16225 0.100 . 1 . . . . 2 ALA HA . 16176 1 6 . 1 1 2 2 ALA HB1 H 1 1.211 0.100 . 1 . . . . 2 ALA QB . 16176 1 7 . 1 1 2 2 ALA HB2 H 1 1.211 0.100 . 1 . . . . 2 ALA QB . 16176 1 8 . 1 1 2 2 ALA HB3 H 1 1.211 0.100 . 1 . . . . 2 ALA QB . 16176 1 9 . 1 1 2 2 ALA CA C 13 53.199 0.300 . 1 . . . . 2 ALA CA . 16176 1 10 . 1 1 2 2 ALA CB C 13 19.684 0.300 . 1 . . . . 2 ALA CB . 16176 1 11 . 1 1 3 3 MET H H 1 8.538 0.100 . 1 . . . . 3 MET HN . 16176 1 12 . 1 1 3 3 MET HA H 1 4.3135 0.100 . 1 . . . . 3 MET HA . 16176 1 13 . 1 1 3 3 MET HB2 H 1 1.9165 0.100 . 1 . . . . 3 MET HB2 . 16176 1 14 . 1 1 3 3 MET HB3 H 1 1.87025 0.100 . 1 . . . . 3 MET HB3 . 16176 1 15 . 1 1 3 3 MET HG2 H 1 2.42975 0.100 . 1 . . . . 3 MET HG2 . 16176 1 16 . 1 1 3 3 MET HG3 H 1 2.3955 0.100 . 1 . . . . 3 MET HG3 . 16176 1 17 . 1 1 3 3 MET CA C 13 56.246 0.100 . 1 . . . . 3 MET CA . 16176 1 18 . 1 1 3 3 MET CB C 13 33.395 0.300 . 1 . . . . 3 MET CB . 16176 1 19 . 1 1 3 3 MET CG C 13 31.871 0.300 . 1 . . . . 3 MET CG . 16176 1 20 . 1 1 3 3 MET N N 15 119.924 0.300 . 1 . . . . 3 MET N . 16176 1 21 . 1 1 4 4 GLY H H 1 8.4725 0.100 . 1 . . . . 4 GLY HN . 16176 1 22 . 1 1 4 4 GLY HA2 H 1 3.8575 0.106 . 1 . . . . 4 GLY HA1 . 16176 1 23 . 1 1 4 4 GLY HA3 H 1 3.78675 0.102 . 1 . . . . 4 GLY HA2 . 16176 1 24 . 1 1 4 4 GLY CA C 13 45.582 0.300 . 1 . . . . 4 GLY CA . 16176 1 25 . 1 1 4 4 GLY N N 15 110.057 0.300 . 1 . . . . 4 GLY N . 16176 1 26 . 1 1 5 5 ASN H H 1 8.3785 0.101 . 1 . . . . 5 ASN HN . 16176 1 27 . 1 1 5 5 ASN HA H 1 4.4225 0.100 . 1 . . . . 5 ASN HA . 16176 1 28 . 1 1 5 5 ASN HB2 H 1 2.65325 0.104 . 1 . . . . 5 ASN HB2 . 16176 1 29 . 1 1 5 5 ASN HD21 H 1 7.597 0.100 . 1 . . . . 5 ASN HD21 . 16176 1 30 . 1 1 5 5 ASN HD22 H 1 6.886 0.101 . 1 . . . . 5 ASN HD22 . 16176 1 31 . 1 1 5 5 ASN CA C 13 54.722 0.300 . 1 . . . . 5 ASN CA . 16176 1 32 . 1 1 5 5 ASN CB C 13 37.965 0.300 . 1 . . . . 5 ASN CB . 16176 1 33 . 1 1 5 5 ASN N N 15 119.786 0.300 . 1 . . . . 5 ASN N . 16176 1 34 . 1 1 6 6 GLU H H 1 8.608 0.100 . 1 . . . . 6 GLU HN . 16176 1 35 . 1 1 6 6 GLU HA H 1 3.84225 0.100 . 1 . . . . 6 GLU HA . 16176 1 36 . 1 1 6 6 GLU HB2 H 1 1.90125 0.100 . 1 . . . . 6 GLU HB2 . 16176 1 37 . 1 1 6 6 GLU HG2 H 1 2.20025 0.100 . 1 . . . . 6 GLU HG2 . 16176 1 38 . 1 1 6 6 GLU CA C 13 60.308 0.300 . 1 . . . . 6 GLU CA . 16176 1 39 . 1 1 6 6 GLU CB C 13 29.840 0.300 . 1 . . . . 6 GLU CB . 16176 1 40 . 1 1 6 6 GLU CG C 13 37.457 0.300 . 1 . . . . 6 GLU CG . 16176 1 41 . 1 1 6 6 GLU N N 15 119.791 0.300 . 1 . . . . 6 GLU N . 16176 1 42 . 1 1 7 7 ARG H H 1 8.0495 0.100 . 1 . . . . 7 ARG HN . 16176 1 43 . 1 1 7 7 ARG HA H 1 3.967 0.100 . 1 . . . . 7 ARG HA . 16176 1 44 . 1 1 7 7 ARG HB2 H 1 1.711 0.101 . 1 . . . . 7 ARG HB2 . 16176 1 45 . 1 1 7 7 ARG HD2 H 1 3.0505 0.101 . 1 . . . . 7 ARG HD2 . 16176 1 46 . 1 1 7 7 ARG HE H 1 7.269 0.100 . 1 . . . . 7 ARG HE . 16176 1 47 . 1 1 7 7 ARG HG2 H 1 1.552 0.107 . 1 . . . . 7 ARG HG2 . 16176 1 48 . 1 1 7 7 ARG HG3 H 1 1.48725 0.102 . 1 . . . . 7 ARG HG3 . 16176 1 49 . 1 1 7 7 ARG CA C 13 58.277 0.300 . 1 . . . . 7 ARG CA . 16176 1 50 . 1 1 7 7 ARG CB C 13 29.332 0.300 . 1 . . . . 7 ARG CB . 16176 1 51 . 1 1 7 7 ARG CD C 13 43.043 0.300 . 1 . . . . 7 ARG CD . 16176 1 52 . 1 1 7 7 ARG CG C 13 26.793 0.300 . 1 . . . . 7 ARG CG . 16176 1 53 . 1 1 7 7 ARG N N 15 120.987 0.300 . 1 . . . . 7 ARG N . 16176 1 54 . 1 1 8 8 ARG H H 1 7.826 0.101 . 1 . . . . 8 ARG HN . 16176 1 55 . 1 1 8 8 ARG HA H 1 3.873 0.102 . 1 . . . . 8 ARG HA . 16176 1 56 . 1 1 8 8 ARG HB2 H 1 1.746 0.101 . 1 . . . . 8 ARG HB2 . 16176 1 57 . 1 1 8 8 ARG HB3 H 1 1.695 0.100 . 1 . . . . 8 ARG HB3 . 16176 1 58 . 1 1 8 8 ARG HD2 H 1 3.035 0.101 . 1 . . . . 8 ARG HD2 . 16176 1 59 . 1 1 8 8 ARG HG2 H 1 1.532 0.100 . 1 . . . . 8 ARG HG2 . 16176 1 60 . 1 1 8 8 ARG HG3 H 1 1.42175 0.100 . 1 . . . . 8 ARG HG3 . 16176 1 61 . 1 1 8 8 ARG CA C 13 59.800 0.300 . 1 . . . . 8 ARG CA . 16176 1 62 . 1 1 8 8 ARG CB C 13 29.840 0.300 . 1 . . . . 8 ARG CB . 16176 1 63 . 1 1 8 8 ARG CD C 13 43.551 0.300 . 1 . . . . 8 ARG CD . 16176 1 64 . 1 1 8 8 ARG CG C 13 27.809 0.300 . 1 . . . . 8 ARG CG . 16176 1 65 . 1 1 9 9 ILE H H 1 7.855 0.100 . 1 . . . . 9 ILE HN . 16176 1 66 . 1 1 9 9 ILE HA H 1 3.641 0.100 . 1 . . . . 9 ILE HA . 16176 1 67 . 1 1 9 9 ILE HB H 1 1.75775 0.102 . 1 . . . . 9 ILE HB . 16176 1 68 . 1 1 9 9 ILE HD11 H 1 0.6675 0.100 . 1 . . . . 9 ILE QD1 . 16176 1 69 . 1 1 9 9 ILE HD12 H 1 0.6675 0.100 . 1 . . . . 9 ILE QD1 . 16176 1 70 . 1 1 9 9 ILE HD13 H 1 0.6675 0.100 . 1 . . . . 9 ILE QD1 . 16176 1 71 . 1 1 9 9 ILE HG12 H 1 1.481 0.100 . 1 . . . . 9 ILE HG12 . 16176 1 72 . 1 1 9 9 ILE HG13 H 1 1.0515 0.101 . 1 . . . . 9 ILE HG13 . 16176 1 73 . 1 1 9 9 ILE HG21 H 1 0.7965 0.100 . 1 . . . . 9 ILE QG2 . 16176 1 74 . 1 1 9 9 ILE HG22 H 1 0.7965 0.100 . 1 . . . . 9 ILE QG2 . 16176 1 75 . 1 1 9 9 ILE HG23 H 1 0.7965 0.100 . 1 . . . . 9 ILE QG2 . 16176 1 76 . 1 1 9 9 ILE CA C 13 64.878 0.300 . 1 . . . . 9 ILE CA . 16176 1 77 . 1 1 9 9 ILE CB C 13 37.965 0.300 . 1 . . . . 9 ILE CB . 16176 1 78 . 1 1 9 9 ILE CD1 C 13 12.067 0.300 . 1 . . . . 9 ILE CD1 . 16176 1 79 . 1 1 9 9 ILE CG1 C 13 29.840 0.300 . 1 . . . . 9 ILE CG1 . 16176 1 80 . 1 1 9 9 ILE CG2 C 13 17.653 0.300 . 1 . . . . 9 ILE CG2 . 16176 1 81 . 1 1 9 9 ILE N N 15 119.969 0.300 . 1 . . . . 9 ILE N . 16176 1 82 . 1 1 10 10 LEU H H 1 7.738 0.101 . 1 . . . . 10 LEU HN . 16176 1 83 . 1 1 10 10 LEU HA H 1 3.94375 0.100 . 1 . . . . 10 LEU HA . 16176 1 84 . 1 1 10 10 LEU HB2 H 1 1.785 0.100 . 1 . . . . 10 LEU HB2 . 16176 1 85 . 1 1 10 10 LEU HB3 H 1 1.51 0.105 . 1 . . . . 10 LEU HB3 . 16176 1 86 . 1 1 10 10 LEU HD11 H 1 0.7505 0.104 . 1 . . . . 10 LEU QD1 . 16176 1 87 . 1 1 10 10 LEU HD12 H 1 0.7505 0.104 . 1 . . . . 10 LEU QD1 . 16176 1 88 . 1 1 10 10 LEU HD13 H 1 0.7505 0.104 . 1 . . . . 10 LEU QD1 . 16176 1 89 . 1 1 10 10 LEU HD21 H 1 0.7305 0.102 . 1 . . . . 10 LEU QD2 . 16176 1 90 . 1 1 10 10 LEU HD22 H 1 0.7305 0.102 . 1 . . . . 10 LEU QD2 . 16176 1 91 . 1 1 10 10 LEU HD23 H 1 0.7305 0.102 . 1 . . . . 10 LEU QD2 . 16176 1 92 . 1 1 10 10 LEU HG H 1 1.31225 0.100 . 1 . . . . 10 LEU HG . 16176 1 93 . 1 1 10 10 LEU CA C 13 58.277 0.300 . 1 . . . . 10 LEU CA . 16176 1 94 . 1 1 10 10 LEU CB C 13 41.520 0.300 . 1 . . . . 10 LEU CB . 16176 1 95 . 1 1 10 10 LEU CD1 C 13 26.286 0.300 . 1 . . . . 10 LEU CD1 . 16176 1 96 . 1 1 10 10 LEU CD2 C 13 22.731 0.300 . 1 . . . . 10 LEU CD2 . 16176 1 97 . 1 1 10 10 LEU CG C 13 27.301 0.300 . 1 . . . . 10 LEU CG . 16176 1 98 . 1 1 10 10 LEU N N 15 121.758 0.300 . 1 . . . . 10 LEU N . 16176 1 99 . 1 1 11 11 GLU H H 1 8.2455 0.100 . 1 . . . . 11 GLU HN . 16176 1 100 . 1 1 11 11 GLU HA H 1 3.768 0.100 . 1 . . . . 11 GLU HA . 16176 1 101 . 1 1 11 11 GLU HB2 H 1 1.952 0.100 . 1 . . . . 11 GLU HB2 . 16176 1 102 . 1 1 11 11 GLU HG2 H 1 2.2145 0.102 . 1 . . . . 11 GLU HG2 . 16176 1 103 . 1 1 11 11 GLU CA C 13 59.800 0.300 . 1 . . . . 11 GLU CA . 16176 1 104 . 1 1 11 11 GLU CB C 13 28.825 0.300 . 1 . . . . 11 GLU CB . 16176 1 105 . 1 1 11 11 GLU CG C 13 36.949 0.300 . 1 . . . . 11 GLU CG . 16176 1 106 . 1 1 11 11 GLU N N 15 117.433 0.300 . 1 . . . . 11 GLU N . 16176 1 107 . 1 1 12 12 GLN H H 1 7.8525 0.100 . 1 . . . . 12 GLN HN . 16176 1 108 . 1 1 12 12 GLN HA H 1 3.9765 0.100 . 1 . . . . 12 GLN HA . 16176 1 109 . 1 1 12 12 GLN HB2 H 1 2.1365 0.100 . 1 . . . . 12 GLN HB2 . 16176 1 110 . 1 1 12 12 GLN HB3 H 1 2.0255 0.100 . 1 . . . . 12 GLN HB3 . 16176 1 111 . 1 1 12 12 GLN HE21 H 1 7.3715 0.100 . 1 . . . . 12 GLN HE21 . 16176 1 112 . 1 1 12 12 GLN HE22 H 1 6.736 0.107 . 1 . . . . 12 GLN HE22 . 16176 1 113 . 1 1 12 12 GLN HG2 H 1 2.2705 0.102 . 1 . . . . 12 GLN HG2 . 16176 1 114 . 1 1 12 12 GLN HG3 H 1 2.161 0.100 . 1 . . . . 12 GLN HG3 . 16176 1 115 . 1 1 12 12 GLN CA C 13 59.292 0.300 . 1 . . . . 12 GLN CA . 16176 1 116 . 1 1 12 12 GLN CB C 13 28.825 0.300 . 1 . . . . 12 GLN CB . 16176 1 117 . 1 1 12 12 GLN CG C 13 34.410 0.300 . 1 . . . . 12 GLN CG . 16176 1 118 . 1 1 12 12 GLN N N 15 119.791 0.300 . 1 . . . . 12 GLN N . 16176 1 119 . 1 1 13 13 LYS H H 1 8.0805 0.100 . 1 . . . . 13 LYS HN . 16176 1 120 . 1 1 13 13 LYS HA H 1 3.938 0.100 . 1 . . . . 13 LYS HA . 16176 1 121 . 1 1 13 13 LYS HB2 H 1 1.972 0.177 . 1 . . . . 13 LYS HB2 . 16176 1 122 . 1 1 13 13 LYS HB3 H 1 1.60025 0.102 . 1 . . . . 13 LYS HB3 . 16176 1 123 . 1 1 13 13 LYS HD2 H 1 1.49425 0.100 . 1 . . . . 13 LYS HD2 . 16176 1 124 . 1 1 13 13 LYS HD3 H 1 1.3745 0.100 . 1 . . . . 13 LYS HD3 . 16176 1 125 . 1 1 13 13 LYS HE2 H 1 2.731 0.101 . 1 . . . . 13 LYS HE2 . 16176 1 126 . 1 1 13 13 LYS HE3 H 1 2.6865 0.100 . 1 . . . . 13 LYS HE3 . 16176 1 127 . 1 1 13 13 LYS HG2 H 1 1.6945 0.103 . 1 . . . . 13 LYS HG2 . 16176 1 128 . 1 1 13 13 LYS HG3 H 1 1.246 0.100 . 1 . . . . 13 LYS HG3 . 16176 1 129 . 1 1 13 13 LYS CA C 13 60.816 0.300 . 1 . . . . 13 LYS CA . 16176 1 130 . 1 1 13 13 LYS CB C 13 33.903 0.300 . 1 . . . . 13 LYS CB . 16176 1 131 . 1 1 13 13 LYS CD C 13 30.348 0.300 . 1 . . . . 13 LYS CD . 16176 1 132 . 1 1 13 13 LYS CE C 13 42.535 0.300 . 1 . . . . 13 LYS CE . 16176 1 133 . 1 1 13 13 LYS CG C 13 26.793 0.300 . 1 . . . . 13 LYS CG . 16176 1 134 . 1 1 13 13 LYS N N 15 118.933 0.300 . 1 . . . . 13 LYS N . 16176 1 135 . 1 1 14 14 LYS H H 1 8.570 0.100 . 1 . . . . 14 LYS HN . 16176 1 136 . 1 1 14 14 LYS HA H 1 3.6745 0.100 . 1 . . . . 14 LYS HA . 16176 1 137 . 1 1 14 14 LYS HB2 H 1 1.867 0.102 . 1 . . . . 14 LYS HB2 . 16176 1 138 . 1 1 14 14 LYS HD2 H 1 1.4995 0.105 . 1 . . . . 14 LYS HD2 . 16176 1 139 . 1 1 14 14 LYS HE2 H 1 2.7685 0.105 . 1 . . . . 14 LYS HE2 . 16176 1 140 . 1 1 14 14 LYS HE3 H 1 2.5995 0.100 . 1 . . . . 14 LYS HE3 . 16176 1 141 . 1 1 14 14 LYS HG2 H 1 1.7065 0.101 . 1 . . . . 14 LYS HG2 . 16176 1 142 . 1 1 14 14 LYS HG3 H 1 0.988 0.101 . 1 . . . . 14 LYS HG3 . 16176 1 143 . 1 1 14 14 LYS CA C 13 60.816 0.300 . 1 . . . . 14 LYS CA . 16176 1 144 . 1 1 14 14 LYS CB C 13 31.871 0.300 . 1 . . . . 14 LYS CB . 16176 1 145 . 1 1 14 14 LYS CD C 13 30.348 0.300 . 1 . . . . 14 LYS CD . 16176 1 146 . 1 1 14 14 LYS CE C 13 40.504 0.300 . 1 . . . . 14 LYS CE . 16176 1 147 . 1 1 14 14 LYS CG C 13 25.778 0.300 . 1 . . . . 14 LYS CG . 16176 1 148 . 1 1 15 15 HIS H H 1 8.002 0.100 . 1 . . . . 15 HIS HN . 16176 1 149 . 1 1 15 15 HIS HA H 1 4.4585 0.104 . 1 . . . . 15 HIS HA . 16176 1 150 . 1 1 15 15 HIS HB2 H 1 3.256 0.100 . 1 . . . . 15 HIS HB2 . 16176 1 151 . 1 1 15 15 HIS HB3 H 1 3.067 0.102 . 1 . . . . 15 HIS HB3 . 16176 1 152 . 1 1 15 15 HIS HD2 H 1 7.0315 0.100 . 1 . . . . 15 HIS HD2 . 16176 1 153 . 1 1 15 15 HIS HE1 H 1 8.302 0.100 . 1 . . . . 15 HIS HE1 . 16176 1 154 . 1 1 15 15 HIS CA C 13 59.800 0.300 . 1 . . . . 15 HIS CA . 16176 1 155 . 1 1 15 15 HIS CB C 13 28.825 0.300 . 1 . . . . 15 HIS CB . 16176 1 156 . 1 1 15 15 HIS CD2 C 13 118.029 0.300 . 1 . . . . 15 HIS CD2 . 16176 1 157 . 1 1 15 15 HIS CE1 C 13 134.567 0.300 . 1 . . . . 15 HIS CE1 . 16176 1 158 . 1 1 16 16 TYR H H 1 8.685 0.100 . 1 . . . . 16 TYR HN . 16176 1 159 . 1 1 16 16 TYR HA H 1 4.262 0.101 . 1 . . . . 16 TYR HA . 16176 1 160 . 1 1 16 16 TYR HB2 H 1 3.08325 0.101 . 1 . . . . 16 TYR HB2 . 16176 1 161 . 1 1 16 16 TYR HB3 H 1 3.01525 0.103 . 1 . . . . 16 TYR HB3 . 16176 1 162 . 1 1 16 16 TYR HD1 H 1 7.1675 0.101 . 3 . . . . 16 TYR QD . 16176 1 163 . 1 1 16 16 TYR HD2 H 1 7.1675 0.101 . 3 . . . . 16 TYR QD . 16176 1 164 . 1 1 16 16 TYR HE1 H 1 6.7355 0.103 . 3 . . . . 16 TYR QE . 16176 1 165 . 1 1 16 16 TYR HE2 H 1 6.7355 0.103 . 3 . . . . 16 TYR QE . 16176 1 166 . 1 1 16 16 TYR CA C 13 60.816 0.300 . 1 . . . . 16 TYR CA . 16176 1 167 . 1 1 16 16 TYR CB C 13 36.949 0.300 . 1 . . . . 16 TYR CB . 16176 1 168 . 1 1 16 16 TYR CD1 C 13 129.822 0.300 . 1 . . . . 16 TYR CD1 . 16176 1 169 . 1 1 16 16 TYR CE1 C 13 115.155 0.300 . 1 . . . . 16 TYR CE1 . 16176 1 170 . 1 1 16 16 TYR N N 15 116.867 0.300 . 1 . . . . 16 TYR N . 16176 1 171 . 1 1 17 17 PHE H H 1 8.0625 0.100 . 1 . . . . 17 PHE HN . 16176 1 172 . 1 1 17 17 PHE HA H 1 4.13525 0.100 . 1 . . . . 17 PHE HA . 16176 1 173 . 1 1 17 17 PHE HB2 H 1 3.03625 0.100 . 1 . . . . 17 PHE HB2 . 16176 1 174 . 1 1 17 17 PHE HB3 H 1 2.95275 0.100 . 1 . . . . 17 PHE HB3 . 16176 1 175 . 1 1 17 17 PHE HD1 H 1 6.941 0.101 . 3 . . . . 17 PHE QD . 16176 1 176 . 1 1 17 17 PHE HD2 H 1 6.941 0.101 . 3 . . . . 17 PHE QD . 16176 1 177 . 1 1 17 17 PHE HE1 H 1 7.3355 0.100 . 3 . . . . 17 PHE QE . 16176 1 178 . 1 1 17 17 PHE HE2 H 1 7.3355 0.100 . 3 . . . . 17 PHE QE . 16176 1 179 . 1 1 17 17 PHE HZ H 1 6.945 0.100 . 1 . . . . 17 PHE HZ . 16176 1 180 . 1 1 17 17 PHE CA C 13 62.339 0.300 . 1 . . . . 17 PHE CA . 16176 1 181 . 1 1 17 17 PHE CB C 13 39.996 0.300 . 1 . . . . 17 PHE CB . 16176 1 182 . 1 1 17 17 PHE CD1 C 13 130.553 0.300 . 1 . . . . 17 PHE CD1 . 16176 1 183 . 1 1 17 17 PHE CE1 C 13 127.895 0.300 . 1 . . . . 17 PHE CE1 . 16176 1 184 . 1 1 17 17 PHE CZ C 13 128.270 0.300 . 1 . . . . 17 PHE CZ . 16176 1 185 . 1 1 17 17 PHE N N 15 121.253 0.300 . 1 . . . . 17 PHE N . 16176 1 186 . 1 1 18 18 TRP H H 1 8.362 0.101 . 1 . . . . 18 TRP HN . 16176 1 187 . 1 1 18 18 TRP HA H 1 3.46525 0.100 . 1 . . . . 18 TRP HA . 16176 1 188 . 1 1 18 18 TRP HB2 H 1 3.456 0.104 . 1 . . . . 18 TRP HB2 . 16176 1 189 . 1 1 18 18 TRP HB3 H 1 3.10675 0.101 . 1 . . . . 18 TRP HB3 . 16176 1 190 . 1 1 18 18 TRP HD1 H 1 7.3265 0.101 . 1 . . . . 18 TRP HD1 . 16176 1 191 . 1 1 18 18 TRP HE1 H 1 10.469 0.100 . 1 . . . . 18 TRP HE1 . 16176 1 192 . 1 1 18 18 TRP HE3 H 1 6.64825 0.100 . 1 . . . . 18 TRP HE3 . 16176 1 193 . 1 1 18 18 TRP HH2 H 1 7.08 0.100 . 1 . . . . 18 TRP HH2 . 16176 1 194 . 1 1 18 18 TRP HZ2 H 1 7.418 0.100 . 1 . . . . 18 TRP HZ2 . 16176 1 195 . 1 1 18 18 TRP HZ3 H 1 6.7675 0.102 . 1 . . . . 18 TRP HZ3 . 16176 1 196 . 1 1 18 18 TRP CA C 13 63.355 0.300 . 1 . . . . 18 TRP CA . 16176 1 197 . 1 1 18 18 TRP CB C 13 28.317 0.300 . 1 . . . . 18 TRP CB . 16176 1 198 . 1 1 18 18 TRP CD1 C 13 123.811 0.300 . 1 . . . . 18 TRP CD1 . 16176 1 199 . 1 1 18 18 TRP CE3 C 13 116.880 0.300 . 1 . . . . 18 TRP CE3 . 16176 1 200 . 1 1 18 18 TRP CH2 C 13 121.817 0.300 . 1 . . . . 18 TRP CH2 . 16176 1 201 . 1 1 18 18 TRP CZ2 C 13 111.791 0.300 . 1 . . . . 18 TRP CZ2 . 16176 1 202 . 1 1 18 18 TRP CZ3 C 13 119.349 0.300 . 1 . . . . 18 TRP CZ3 . 16176 1 203 . 1 1 18 18 TRP N N 15 123.692 0.300 . 1 . . . . 18 TRP N . 16176 1 204 . 1 1 19 19 LEU H H 1 8.334 0.100 . 1 . . . . 19 LEU HN . 16176 1 205 . 1 1 19 19 LEU HA H 1 3.45875 0.100 . 1 . . . . 19 LEU HA . 16176 1 206 . 1 1 19 19 LEU HB2 H 1 1.69375 0.100 . 1 . . . . 19 LEU HB2 . 16176 1 207 . 1 1 19 19 LEU HB3 H 1 1.19675 0.100 . 1 . . . . 19 LEU HB3 . 16176 1 208 . 1 1 19 19 LEU HD11 H 1 0.8215 0.101 . 1 . . . . 19 LEU QD1 . 16176 1 209 . 1 1 19 19 LEU HD12 H 1 0.8215 0.101 . 1 . . . . 19 LEU QD1 . 16176 1 210 . 1 1 19 19 LEU HD13 H 1 0.8215 0.101 . 1 . . . . 19 LEU QD1 . 16176 1 211 . 1 1 19 19 LEU HD21 H 1 0.608 0.100 . 1 . . . . 19 LEU QD2 . 16176 1 212 . 1 1 19 19 LEU HD22 H 1 0.608 0.100 . 1 . . . . 19 LEU QD2 . 16176 1 213 . 1 1 19 19 LEU HD23 H 1 0.608 0.100 . 1 . . . . 19 LEU QD2 . 16176 1 214 . 1 1 19 19 LEU HG H 1 1.30375 0.101 . 1 . . . . 19 LEU HG . 16176 1 215 . 1 1 19 19 LEU CA C 13 57.769 0.300 . 1 . . . . 19 LEU CA . 16176 1 216 . 1 1 19 19 LEU CB C 13 42.027 0.300 . 1 . . . . 19 LEU CB . 16176 1 217 . 1 1 19 19 LEU CD1 C 13 23.747 0.300 . 1 . . . . 19 LEU CD1 . 16176 1 218 . 1 1 19 19 LEU CD2 C 13 25.778 0.300 . 1 . . . . 19 LEU CD2 . 16176 1 219 . 1 1 19 19 LEU CG C 13 26.793 0.300 . 1 . . . . 19 LEU CG . 16176 1 220 . 1 1 19 19 LEU N N 15 117.266 0.300 . 1 . . . . 19 LEU N . 16176 1 221 . 1 1 20 20 LEU H H 1 7.2275 0.100 . 1 . . . . 20 LEU HN . 16176 1 222 . 1 1 20 20 LEU HA H 1 3.74575 0.103 . 1 . . . . 20 LEU HA . 16176 1 223 . 1 1 20 20 LEU HB2 H 1 1.971 0.102 . 1 . . . . 20 LEU HB2 . 16176 1 224 . 1 1 20 20 LEU HB3 H 1 1.06 0.100 . 1 . . . . 20 LEU HB3 . 16176 1 225 . 1 1 20 20 LEU HD11 H 1 0.903 0.100 . 1 . . . . 20 LEU QD1 . 16176 1 226 . 1 1 20 20 LEU HD12 H 1 0.903 0.100 . 1 . . . . 20 LEU QD1 . 16176 1 227 . 1 1 20 20 LEU HD13 H 1 0.903 0.100 . 1 . . . . 20 LEU QD1 . 16176 1 228 . 1 1 20 20 LEU HD21 H 1 0.63825 0.100 . 1 . . . . 20 LEU QD2 . 16176 1 229 . 1 1 20 20 LEU HD22 H 1 0.63825 0.100 . 1 . . . . 20 LEU QD2 . 16176 1 230 . 1 1 20 20 LEU HD23 H 1 0.63825 0.100 . 1 . . . . 20 LEU QD2 . 16176 1 231 . 1 1 20 20 LEU HG H 1 0.95725 0.100 . 1 . . . . 20 LEU HG . 16176 1 232 . 1 1 20 20 LEU CA C 13 57.769 0.300 . 1 . . . . 20 LEU CA . 16176 1 233 . 1 1 20 20 LEU CB C 13 40.504 0.300 . 1 . . . . 20 LEU CB . 16176 1 234 . 1 1 20 20 LEU CD1 C 13 27.809 0.300 . 1 . . . . 20 LEU CD1 . 16176 1 235 . 1 1 20 20 LEU CD2 C 13 22.223 0.300 . 1 . . . . 20 LEU CD2 . 16176 1 236 . 1 1 20 20 LEU CG C 13 27.809 0.300 . 1 . . . . 20 LEU CG . 16176 1 237 . 1 1 20 20 LEU N N 15 120.455 0.300 . 1 . . . . 20 LEU N . 16176 1 238 . 1 1 21 21 LEU H H 1 7.23 0.100 . 1 . . . . 21 LEU HN . 16176 1 239 . 1 1 21 21 LEU HA H 1 3.0905 0.100 . 1 . . . . 21 LEU HA . 16176 1 240 . 1 1 21 21 LEU HB2 H 1 0.90925 0.100 . 1 . . . . 21 LEU HB2 . 16176 1 241 . 1 1 21 21 LEU HB3 H 1 0.11725 0.100 . 1 . . . . 21 LEU HB3 . 16176 1 242 . 1 1 21 21 LEU HD11 H 1 0.963 0.100 . 1 . . . . 21 LEU QD1 . 16176 1 243 . 1 1 21 21 LEU HD12 H 1 0.963 0.100 . 1 . . . . 21 LEU QD1 . 16176 1 244 . 1 1 21 21 LEU HD13 H 1 0.963 0.100 . 1 . . . . 21 LEU QD1 . 16176 1 245 . 1 1 21 21 LEU HD21 H 1 0.49225 0.100 . 1 . . . . 21 LEU QD2 . 16176 1 246 . 1 1 21 21 LEU HD22 H 1 0.49225 0.100 . 1 . . . . 21 LEU QD2 . 16176 1 247 . 1 1 21 21 LEU HD23 H 1 0.49225 0.100 . 1 . . . . 21 LEU QD2 . 16176 1 248 . 1 1 21 21 LEU HG H 1 0.34925 0.101 . 1 . . . . 21 LEU HG . 16176 1 249 . 1 1 21 21 LEU CA C 13 58.277 0.300 . 1 . . . . 21 LEU CA . 16176 1 250 . 1 1 21 21 LEU CB C 13 37.457 0.300 . 1 . . . . 21 LEU CB . 16176 1 251 . 1 1 21 21 LEU CD1 C 13 25.488 0.300 . 1 . . . . 21 LEU CD1 . 16176 1 252 . 1 1 21 21 LEU CD2 C 13 23.747 0.300 . 1 . . . . 21 LEU CD2 . 16176 1 253 . 1 1 21 21 LEU CG C 13 28.317 0.300 . 1 . . . . 21 LEU CG . 16176 1 254 . 1 1 21 21 LEU N N 15 121.639 0.300 . 1 . . . . 21 LEU N . 16176 1 255 . 1 1 22 22 GLN H H 1 7.6765 0.100 . 1 . . . . 22 GLN HN . 16176 1 256 . 1 1 22 22 GLN HA H 1 3.9125 0.103 . 1 . . . . 22 GLN HA . 16176 1 257 . 1 1 22 22 GLN HB2 H 1 1.622 0.101 . 1 . . . . 22 GLN HB2 . 16176 1 258 . 1 1 22 22 GLN HE21 H 1 7.258 0.100 . 1 . . . . 22 GLN HE21 . 16176 1 259 . 1 1 22 22 GLN HE22 H 1 6.638 0.100 . 1 . . . . 22 GLN HE22 . 16176 1 260 . 1 1 22 22 GLN HG2 H 1 1.94775 0.100 . 1 . . . . 22 GLN HG2 . 16176 1 261 . 1 1 22 22 GLN HG3 H 1 1.87075 0.101 . 1 . . . . 22 GLN HG3 . 16176 1 262 . 1 1 22 22 GLN CA C 13 57.261 0.300 . 1 . . . . 22 GLN CA . 16176 1 263 . 1 1 22 22 GLN CB C 13 28.317 0.300 . 1 . . . . 22 GLN CB . 16176 1 264 . 1 1 22 22 GLN CG C 13 33.903 0.300 . 1 . . . . 22 GLN CG . 16176 1 265 . 1 1 22 22 GLN N N 15 115.768 0.300 . 1 . . . . 22 GLN N . 16176 1 266 . 1 1 23 23 ARG H H 1 7.319 0.100 . 1 . . . . 23 ARG HN . 16176 1 267 . 1 1 23 23 ARG HA H 1 4.109 0.100 . 1 . . . . 23 ARG HA . 16176 1 268 . 1 1 23 23 ARG HB2 H 1 1.68275 0.100 . 1 . . . . 23 ARG HB2 . 16176 1 269 . 1 1 23 23 ARG HB3 H 1 1.52875 0.100 . 1 . . . . 23 ARG HB3 . 16176 1 270 . 1 1 23 23 ARG HD2 H 1 3.004 0.104 . 1 . . . . 23 ARG HD2 . 16176 1 271 . 1 1 23 23 ARG HD3 H 1 2.888 0.101 . 1 . . . . 23 ARG HD3 . 16176 1 272 . 1 1 23 23 ARG HE H 1 7.124 0.100 . 1 . . . . 23 ARG HE . 16176 1 273 . 1 1 23 23 ARG HG2 H 1 1.6005 0.102 . 1 . . . . 23 ARG HG2 . 16176 1 274 . 1 1 23 23 ARG HG3 H 1 1.30475 0.103 . 1 . . . . 23 ARG HG3 . 16176 1 275 . 1 1 23 23 ARG HH21 H 1 6.482 0.101 . 1 . . . . 23 ARG HH21 . 16176 1 276 . 1 1 23 23 ARG CA C 13 56.753 0.300 . 1 . . . . 23 ARG CA . 16176 1 277 . 1 1 23 23 ARG CB C 13 30.856 0.300 . 1 . . . . 23 ARG CB . 16176 1 278 . 1 1 23 23 ARG CD C 13 43.551 0.300 . 1 . . . . 23 ARG CD . 16176 1 279 . 1 1 23 23 ARG CG C 13 27.301 0.300 . 1 . . . . 23 ARG CG . 16176 1 280 . 1 1 23 23 ARG N N 15 112.925 0.300 . 1 . . . . 23 ARG N . 16176 1 281 . 1 1 24 24 THR H H 1 7.3335 0.100 . 1 . . . . 24 THR HN . 16176 1 282 . 1 1 24 24 THR HA H 1 3.59175 0.100 . 1 . . . . 24 THR HA . 16176 1 283 . 1 1 24 24 THR HB H 1 2.9865 0.102 . 1 . . . . 24 THR HB . 16176 1 284 . 1 1 24 24 THR HG1 H 1 5.0045 0.100 . 1 . . . . 24 THR HG1 . 16176 1 285 . 1 1 24 24 THR HG21 H 1 0.114 0.100 . 1 . . . . 24 THR QG2 . 16176 1 286 . 1 1 24 24 THR HG22 H 1 0.114 0.100 . 1 . . . . 24 THR QG2 . 16176 1 287 . 1 1 24 24 THR HG23 H 1 0.114 0.100 . 1 . . . . 24 THR QG2 . 16176 1 288 . 1 1 24 24 THR CA C 13 65.894 0.300 . 1 . . . . 24 THR CA . 16176 1 289 . 1 1 24 24 THR CB C 13 69.956 0.300 . 1 . . . . 24 THR CB . 16176 1 290 . 1 1 24 24 THR CG2 C 13 19.684 0.300 . 1 . . . . 24 THR CG2 . 16176 1 291 . 1 1 24 24 THR N N 15 117.733 0.300 . 1 . . . . 24 THR N . 16176 1 292 . 1 1 25 25 TYR H H 1 8.087 0.100 . 1 . . . . 25 TYR HN . 16176 1 293 . 1 1 25 25 TYR HA H 1 5.41125 0.100 . 1 . . . . 25 TYR HA . 16176 1 294 . 1 1 25 25 TYR HB2 H 1 2.96225 0.100 . 1 . . . . 25 TYR HB2 . 16176 1 295 . 1 1 25 25 TYR HB3 H 1 2.819 0.100 . 1 . . . . 25 TYR HB3 . 16176 1 296 . 1 1 25 25 TYR HD1 H 1 6.77575 0.100 . 3 . . . . 25 TYR QD . 16176 1 297 . 1 1 25 25 TYR HD2 H 1 6.77575 0.100 . 3 . . . . 25 TYR QD . 16176 1 298 . 1 1 25 25 TYR HE1 H 1 6.6065 0.101 . 3 . . . . 25 TYR QE . 16176 1 299 . 1 1 25 25 TYR HE2 H 1 6.6065 0.101 . 3 . . . . 25 TYR QE . 16176 1 300 . 1 1 25 25 TYR HH H 1 9.324 0.100 . 1 . . . . 25 TYR HH . 16176 1 301 . 1 1 25 25 TYR CA C 13 56.753 0.300 . 1 . . . . 25 TYR CA . 16176 1 302 . 1 1 25 25 TYR CB C 13 39.488 0.300 . 1 . . . . 25 TYR CB . 16176 1 303 . 1 1 25 25 TYR CD1 C 13 130.598 0.300 . 1 . . . . 25 TYR CD1 . 16176 1 304 . 1 1 25 25 TYR CE1 C 13 115.368 0.300 . 1 . . . . 25 TYR CE1 . 16176 1 305 . 1 1 25 25 TYR N N 15 123.457 0.300 . 1 . . . . 25 TYR N . 16176 1 306 . 1 1 26 26 THR H H 1 7.9825 0.100 . 1 . . . . 26 THR HN . 16176 1 307 . 1 1 26 26 THR HA H 1 4.69425 0.100 . 1 . . . . 26 THR HA . 16176 1 308 . 1 1 26 26 THR HB H 1 4.383 0.100 . 1 . . . . 26 THR HB . 16176 1 309 . 1 1 26 26 THR HG21 H 1 0.98275 0.100 . 1 . . . . 26 THR QG2 . 16176 1 310 . 1 1 26 26 THR HG22 H 1 0.98275 0.100 . 1 . . . . 26 THR QG2 . 16176 1 311 . 1 1 26 26 THR HG23 H 1 0.98275 0.100 . 1 . . . . 26 THR QG2 . 16176 1 312 . 1 1 26 26 THR CA C 13 59.800 0.300 . 1 . . . . 26 THR CA . 16176 1 313 . 1 1 26 26 THR CB C 13 72.495 0.300 . 1 . . . . 26 THR CB . 16176 1 314 . 1 1 26 26 THR CG2 C 13 21.716 0.300 . 1 . . . . 26 THR CG2 . 16176 1 315 . 1 1 26 26 THR N N 15 111.011 0.300 . 1 . . . . 26 THR N . 16176 1 316 . 1 1 27 27 LYS H H 1 8.876 0.100 . 1 . . . . 27 LYS HN . 16176 1 317 . 1 1 27 27 LYS HA H 1 3.78075 0.100 . 1 . . . . 27 LYS HA . 16176 1 318 . 1 1 27 27 LYS HB2 H 1 1.61825 0.103 . 1 . . . . 27 LYS HB2 . 16176 1 319 . 1 1 27 27 LYS HD2 H 1 1.4735 0.105 . 1 . . . . 27 LYS HD2 . 16176 1 320 . 1 1 27 27 LYS HE2 H 1 2.7865 0.101 . 1 . . . . 27 LYS HE2 . 16176 1 321 . 1 1 27 27 LYS HG2 H 1 1.1555 0.100 . 1 . . . . 27 LYS HG2 . 16176 1 322 . 1 1 27 27 LYS CA C 13 59.292 0.300 . 1 . . . . 27 LYS CA . 16176 1 323 . 1 1 27 27 LYS CB C 13 32.379 0.300 . 1 . . . . 27 LYS CB . 16176 1 324 . 1 1 27 27 LYS CD C 13 29.840 0.300 . 1 . . . . 27 LYS CD . 16176 1 325 . 1 1 27 27 LYS CE C 13 41.012 0.300 . 1 . . . . 27 LYS CE . 16176 1 326 . 1 1 27 27 LYS CG C 13 25.778 0.300 . 1 . . . . 27 LYS CG . 16176 1 327 . 1 1 27 27 LYS N N 15 121.025 0.300 . 1 . . . . 27 LYS N . 16176 1 328 . 1 1 28 28 THR H H 1 7.777 0.100 . 1 . . . . 28 THR HN . 16176 1 329 . 1 1 28 28 THR HA H 1 4.393 0.100 . 1 . . . . 28 THR HA . 16176 1 330 . 1 1 28 28 THR HB H 1 4.28025 0.100 . 1 . . . . 28 THR HB . 16176 1 331 . 1 1 28 28 THR HG21 H 1 0.9885 0.100 . 1 . . . . 28 THR QG2 . 16176 1 332 . 1 1 28 28 THR HG22 H 1 0.9885 0.100 . 1 . . . . 28 THR QG2 . 16176 1 333 . 1 1 28 28 THR HG23 H 1 0.9885 0.100 . 1 . . . . 28 THR QG2 . 16176 1 334 . 1 1 28 28 THR CA C 13 61.323 0.300 . 1 . . . . 28 THR CA . 16176 1 335 . 1 1 28 28 THR CB C 13 69.448 0.300 . 1 . . . . 28 THR CB . 16176 1 336 . 1 1 28 28 THR CG2 C 13 21.208 0.300 . 1 . . . . 28 THR CG2 . 16176 1 337 . 1 1 28 28 THR N N 15 104.999 0.300 . 1 . . . . 28 THR N . 16176 1 338 . 1 1 29 29 GLY H H 1 7.213 0.100 . 1 . . . . 29 GLY HN . 16176 1 339 . 1 1 29 29 GLY HA2 H 1 4.16125 0.100 . 1 . . . . 29 GLY HA1 . 16176 1 340 . 1 1 29 29 GLY HA3 H 1 3.2585 0.100 . 1 . . . . 29 GLY HA2 . 16176 1 341 . 1 1 29 29 GLY CA C 13 45.074 0.300 . 1 . . . . 29 GLY CA . 16176 1 342 . 1 1 29 29 GLY N N 15 113.610 0.300 . 1 . . . . 29 GLY N . 16176 1 343 . 1 1 30 30 LYS H H 1 8.5815 0.100 . 1 . . . . 30 LYS HN . 16176 1 344 . 1 1 30 30 LYS HA H 1 4.447 0.101 . 1 . . . . 30 LYS HA . 16176 1 345 . 1 1 30 30 LYS HB2 H 1 2.055 0.100 . 1 . . . . 30 LYS HB2 . 16176 1 346 . 1 1 30 30 LYS HB3 H 1 1.771 0.102 . 1 . . . . 30 LYS HB3 . 16176 1 347 . 1 1 30 30 LYS HD2 H 1 1.67325 0.100 . 1 . . . . 30 LYS HD2 . 16176 1 348 . 1 1 30 30 LYS HD3 H 1 1.55025 0.104 . 1 . . . . 30 LYS HD3 . 16176 1 349 . 1 1 30 30 LYS HE2 H 1 2.8985 0.100 . 1 . . . . 30 LYS HE2 . 16176 1 350 . 1 1 30 30 LYS HG2 H 1 1.54625 0.100 . 1 . . . . 30 LYS HG2 . 16176 1 351 . 1 1 30 30 LYS HG3 H 1 1.4455 0.101 . 1 . . . . 30 LYS HG3 . 16176 1 352 . 1 1 30 30 LYS CA C 13 53.707 0.300 . 1 . . . . 30 LYS CA . 16176 1 353 . 1 1 30 30 LYS CB C 13 33.903 0.300 . 1 . . . . 30 LYS CB . 16176 1 354 . 1 1 30 30 LYS CD C 13 30.348 0.300 . 1 . . . . 30 LYS CD . 16176 1 355 . 1 1 30 30 LYS CE C 13 41.520 0.300 . 1 . . . . 30 LYS CE . 16176 1 356 . 1 1 30 30 LYS CG C 13 25.270 0.300 . 1 . . . . 30 LYS CG . 16176 1 357 . 1 1 30 30 LYS N N 15 130.821 0.300 . 1 . . . . 30 LYS N . 16176 1 358 . 1 1 31 31 PRO HA H 1 4.426 0.100 . 1 . . . . 31 PRO HA . 16176 1 359 . 1 1 31 31 PRO HB2 H 1 2.055 0.100 . 1 . . . . 31 PRO HB2 . 16176 1 360 . 1 1 31 31 PRO HB3 H 1 1.6125 0.100 . 1 . . . . 31 PRO HB3 . 16176 1 361 . 1 1 31 31 PRO HD2 H 1 3.802 0.100 . 1 . . . . 31 PRO HD2 . 16176 1 362 . 1 1 31 31 PRO HD3 H 1 3.5525 0.100 . 1 . . . . 31 PRO HD3 . 16176 1 363 . 1 1 31 31 PRO HG2 H 1 1.827 0.100 . 1 . . . . 31 PRO HG2 . 16176 1 364 . 1 1 31 31 PRO HG3 H 1 1.7685 0.100 . 1 . . . . 31 PRO HG3 . 16176 1 365 . 1 1 31 31 PRO CA C 13 61.831 0.300 . 1 . . . . 31 PRO CA . 16176 1 366 . 1 1 31 31 PRO CB C 13 31.871 0.300 . 1 . . . . 31 PRO CB . 16176 1 367 . 1 1 31 31 PRO CD C 13 51.168 0.300 . 1 . . . . 31 PRO CD . 16176 1 368 . 1 1 31 31 PRO CG C 13 26.793 0.300 . 1 . . . . 31 PRO CG . 16176 1 369 . 1 1 32 32 LYS H H 1 8.2045 0.100 . 1 . . . . 32 LYS HN . 16176 1 370 . 1 1 32 32 LYS HA H 1 3.365 0.100 . 1 . . . . 32 LYS HA . 16176 1 371 . 1 1 32 32 LYS HB2 H 1 1.46025 0.100 . 1 . . . . 32 LYS HB2 . 16176 1 372 . 1 1 32 32 LYS HB3 H 1 1.2195 0.100 . 1 . . . . 32 LYS HB3 . 16176 1 373 . 1 1 32 32 LYS HD2 H 1 1.33075 0.102 . 1 . . . . 32 LYS HD2 . 16176 1 374 . 1 1 32 32 LYS HD3 H 1 1.1225 0.101 . 1 . . . . 32 LYS HD3 . 16176 1 375 . 1 1 32 32 LYS HE2 H 1 2.134 0.100 . 1 . . . . 32 LYS HE2 . 16176 1 376 . 1 1 32 32 LYS HE3 H 1 1.746 0.100 . 1 . . . . 32 LYS HE3 . 16176 1 377 . 1 1 32 32 LYS HG2 H 1 1.296 0.107 . 1 . . . . 32 LYS HG2 . 16176 1 378 . 1 1 32 32 LYS HG3 H 1 0.76825 0.101 . 1 . . . . 32 LYS HG3 . 16176 1 379 . 1 1 32 32 LYS CA C 13 54.214 0.300 . 1 . . . . 32 LYS CA . 16176 1 380 . 1 1 32 32 LYS CB C 13 33.903 0.300 . 1 . . . . 32 LYS CB . 16176 1 381 . 1 1 32 32 LYS CD C 13 30.348 0.300 . 1 . . . . 32 LYS CD . 16176 1 382 . 1 1 32 32 LYS CE C 13 42.027 0.300 . 1 . . . . 32 LYS CE . 16176 1 383 . 1 1 32 32 LYS CG C 13 25.778 0.300 . 1 . . . . 32 LYS CG . 16176 1 384 . 1 1 32 32 LYS N N 15 121.518 0.300 . 1 . . . . 32 LYS N . 16176 1 385 . 1 1 33 33 PRO HA H 1 4.28775 0.100 . 1 . . . . 33 PRO HA . 16176 1 386 . 1 1 33 33 PRO HB2 H 1 2.2625 0.100 . 1 . . . . 33 PRO HB2 . 16176 1 387 . 1 1 33 33 PRO HB3 H 1 1.74 0.103 . 1 . . . . 33 PRO HB3 . 16176 1 388 . 1 1 33 33 PRO HD2 H 1 3.23525 0.100 . 1 . . . . 33 PRO HD2 . 16176 1 389 . 1 1 33 33 PRO HD3 H 1 2.732 0.100 . 1 . . . . 33 PRO HD3 . 16176 1 390 . 1 1 33 33 PRO HG2 H 1 1.78625 0.101 . 1 . . . . 33 PRO HG2 . 16176 1 391 . 1 1 33 33 PRO HG3 H 1 1.58475 0.101 . 1 . . . . 33 PRO HG3 . 16176 1 392 . 1 1 33 33 PRO CA C 13 62.847 0.300 . 1 . . . . 33 PRO CA . 16176 1 393 . 1 1 33 33 PRO CB C 13 33.395 0.300 . 1 . . . . 33 PRO CB . 16176 1 394 . 1 1 33 33 PRO CD C 13 51.168 0.300 . 1 . . . . 33 PRO CD . 16176 1 395 . 1 1 33 33 PRO CG C 13 28.317 0.300 . 1 . . . . 33 PRO CG . 16176 1 396 . 1 1 34 34 SER H H 1 8.6285 0.100 . 1 . . . . 34 SER HN . 16176 1 397 . 1 1 34 34 SER HA H 1 4.0155 0.100 . 1 . . . . 34 SER HA . 16176 1 398 . 1 1 34 34 SER HB2 H 1 3.83875 0.104 . 1 . . . . 34 SER HB2 . 16176 1 399 . 1 1 34 34 SER HB3 H 1 3.79775 0.104 . 1 . . . . 34 SER HB3 . 16176 1 400 . 1 1 34 34 SER CA C 13 61.323 0.300 . 1 . . . . 34 SER CA . 16176 1 401 . 1 1 34 34 SER CB C 13 63.862 0.300 . 1 . . . . 34 SER CB . 16176 1 402 . 1 1 34 34 SER N N 15 113.765 0.300 . 1 . . . . 34 SER N . 16176 1 403 . 1 1 35 35 THR H H 1 6.9095 0.100 . 1 . . . . 35 THR HN . 16176 1 404 . 1 1 35 35 THR HA H 1 4.81975 0.100 . 1 . . . . 35 THR HA . 16176 1 405 . 1 1 35 35 THR HB H 1 4.455 0.101 . 1 . . . . 35 THR HB . 16176 1 406 . 1 1 35 35 THR HG21 H 1 1.087 0.100 . 1 . . . . 35 THR QG2 . 16176 1 407 . 1 1 35 35 THR HG22 H 1 1.087 0.100 . 1 . . . . 35 THR QG2 . 16176 1 408 . 1 1 35 35 THR HG23 H 1 1.087 0.100 . 1 . . . . 35 THR QG2 . 16176 1 409 . 1 1 35 35 THR CA C 13 58.785 0.300 . 1 . . . . 35 THR CA . 16176 1 410 . 1 1 35 35 THR CB C 13 73.003 0.300 . 1 . . . . 35 THR CB . 16176 1 411 . 1 1 35 35 THR CG2 C 13 21.208 0.300 . 1 . . . . 35 THR CG2 . 16176 1 412 . 1 1 35 35 THR N N 15 105.810 0.300 . 1 . . . . 35 THR N . 16176 1 413 . 1 1 36 36 TRP H H 1 9.2225 0.100 . 1 . . . . 36 TRP HN . 16176 1 414 . 1 1 36 36 TRP HA H 1 3.91675 0.103 . 1 . . . . 36 TRP HA . 16176 1 415 . 1 1 36 36 TRP HB2 H 1 3.30475 0.103 . 1 . . . . 36 TRP HB2 . 16176 1 416 . 1 1 36 36 TRP HB3 H 1 2.94975 0.102 . 1 . . . . 36 TRP HB3 . 16176 1 417 . 1 1 36 36 TRP HD1 H 1 6.9525 0.103 . 1 . . . . 36 TRP HD1 . 16176 1 418 . 1 1 36 36 TRP HE1 H 1 10.56 0.100 . 1 . . . . 36 TRP HE1 . 16176 1 419 . 1 1 36 36 TRP HE3 H 1 6.52225 0.102 . 1 . . . . 36 TRP HE3 . 16176 1 420 . 1 1 36 36 TRP HH2 H 1 6.955 0.101 . 1 . . . . 36 TRP HH2 . 16176 1 421 . 1 1 36 36 TRP HZ2 H 1 7.32375 0.100 . 1 . . . . 36 TRP HZ2 . 16176 1 422 . 1 1 36 36 TRP HZ3 H 1 6.537 0.100 . 1 . . . . 36 TRP HZ3 . 16176 1 423 . 1 1 36 36 TRP CA C 13 57.769 0.300 . 1 . . . . 36 TRP CA . 16176 1 424 . 1 1 36 36 TRP CB C 13 30.348 0.300 . 1 . . . . 36 TRP CB . 16176 1 425 . 1 1 36 36 TRP CD1 C 13 124.286 0.300 . 1 . . . . 36 TRP CD1 . 16176 1 426 . 1 1 36 36 TRP CE3 C 13 116.595 0.300 . 1 . . . . 36 TRP CE3 . 16176 1 427 . 1 1 36 36 TRP CH2 C 13 121.912 0.300 . 1 . . . . 36 TRP CH2 . 16176 1 428 . 1 1 36 36 TRP CZ2 C 13 112.222 0.300 . 1 . . . . 36 TRP CZ2 . 16176 1 429 . 1 1 36 36 TRP CZ3 C 13 119.349 0.300 . 1 . . . . 36 TRP CZ3 . 16176 1 430 . 1 1 36 36 TRP N N 15 126.877 0.300 . 1 . . . . 36 TRP N . 16176 1 431 . 1 1 37 37 ASP H H 1 8.251 0.100 . 1 . . . . 37 ASP HN . 16176 1 432 . 1 1 37 37 ASP HA H 1 3.66175 0.100 . 1 . . . . 37 ASP HA . 16176 1 433 . 1 1 37 37 ASP HB2 H 1 2.3315 0.100 . 1 . . . . 37 ASP HB2 . 16176 1 434 . 1 1 37 37 ASP HB3 H 1 2.281 0.101 . 1 . . . . 37 ASP HB3 . 16176 1 435 . 1 1 37 37 ASP CA C 13 57.769 0.300 . 1 . . . . 37 ASP CA . 16176 1 436 . 1 1 37 37 ASP CB C 13 40.504 0.300 . 1 . . . . 37 ASP CB . 16176 1 437 . 1 1 37 37 ASP N N 15 118.063 0.300 . 1 . . . . 37 ASP N . 16176 1 438 . 1 1 38 38 LEU H H 1 7.2585 0.101 . 1 . . . . 38 LEU HN . 16176 1 439 . 1 1 38 38 LEU HA H 1 3.79 0.100 . 1 . . . . 38 LEU HA . 16176 1 440 . 1 1 38 38 LEU HB2 H 1 1.5745 0.103 . 1 . . . . 38 LEU HB2 . 16176 1 441 . 1 1 38 38 LEU HB3 H 1 1.297 0.103 . 1 . . . . 38 LEU HB3 . 16176 1 442 . 1 1 38 38 LEU HD11 H 1 0.8005 0.100 . 1 . . . . 38 LEU QD1 . 16176 1 443 . 1 1 38 38 LEU HD12 H 1 0.8005 0.100 . 1 . . . . 38 LEU QD1 . 16176 1 444 . 1 1 38 38 LEU HD13 H 1 0.8005 0.100 . 1 . . . . 38 LEU QD1 . 16176 1 445 . 1 1 38 38 LEU HD21 H 1 0.6655 0.100 . 1 . . . . 38 LEU QD2 . 16176 1 446 . 1 1 38 38 LEU HD22 H 1 0.6655 0.100 . 1 . . . . 38 LEU QD2 . 16176 1 447 . 1 1 38 38 LEU HD23 H 1 0.6655 0.100 . 1 . . . . 38 LEU QD2 . 16176 1 448 . 1 1 38 38 LEU HG H 1 1.401 0.102 . 1 . . . . 38 LEU HG . 16176 1 449 . 1 1 38 38 LEU CA C 13 57.261 0.300 . 1 . . . . 38 LEU CA . 16176 1 450 . 1 1 38 38 LEU CB C 13 42.535 0.300 . 1 . . . . 38 LEU CB . 16176 1 451 . 1 1 38 38 LEU CD1 C 13 25.270 0.300 . 1 . . . . 38 LEU CD1 . 16176 1 452 . 1 1 38 38 LEU CD2 C 13 22.731 0.300 . 1 . . . . 38 LEU CD2 . 16176 1 453 . 1 1 38 38 LEU CG C 13 27.301 0.300 . 1 . . . . 38 LEU CG . 16176 1 454 . 1 1 38 38 LEU N N 15 118.078 0.300 . 1 . . . . 38 LEU N . 16176 1 455 . 1 1 39 39 ALA H H 1 7.23 0.100 . 1 . . . . 39 ALA HN . 16176 1 456 . 1 1 39 39 ALA HA H 1 3.69975 0.102 . 1 . . . . 39 ALA HA . 16176 1 457 . 1 1 39 39 ALA HB1 H 1 0.7315 0.100 . 1 . . . . 39 ALA QB . 16176 1 458 . 1 1 39 39 ALA HB2 H 1 0.7315 0.100 . 1 . . . . 39 ALA QB . 16176 1 459 . 1 1 39 39 ALA HB3 H 1 0.7315 0.100 . 1 . . . . 39 ALA QB . 16176 1 460 . 1 1 39 39 ALA CA C 13 54.214 0.300 . 1 . . . . 39 ALA CA . 16176 1 461 . 1 1 39 39 ALA CB C 13 19.684 0.300 . 1 . . . . 39 ALA CB . 16176 1 462 . 1 1 39 39 ALA N N 15 122.862 0.300 . 1 . . . . 39 ALA N . 16176 1 463 . 1 1 40 40 SER H H 1 8.1025 0.100 . 1 . . . . 40 SER HN . 16176 1 464 . 1 1 40 40 SER HA H 1 2.96625 0.101 . 1 . . . . 40 SER HA . 16176 1 465 . 1 1 40 40 SER HB2 H 1 2.91875 0.103 . 1 . . . . 40 SER HB2 . 16176 1 466 . 1 1 40 40 SER HB3 H 1 2.53975 0.102 . 1 . . . . 40 SER HB3 . 16176 1 467 . 1 1 40 40 SER HG H 1 1.653 0.100 . 1 . . . . 40 SER HG . 16176 1 468 . 1 1 40 40 SER CA C 13 60.816 0.300 . 1 . . . . 40 SER CA . 16176 1 469 . 1 1 40 40 SER CB C 13 62.339 0.300 . 1 . . . . 40 SER CB . 16176 1 470 . 1 1 40 40 SER N N 15 112.283 0.300 . 1 . . . . 40 SER N . 16176 1 471 . 1 1 41 41 LYS H H 1 6.651 0.100 . 1 . . . . 41 LYS HN . 16176 1 472 . 1 1 41 41 LYS HA H 1 3.726 0.100 . 1 . . . . 41 LYS HA . 16176 1 473 . 1 1 41 41 LYS HB2 H 1 1.626 0.102 . 1 . . . . 41 LYS HB2 . 16176 1 474 . 1 1 41 41 LYS HB3 H 1 1.56 0.101 . 1 . . . . 41 LYS HB3 . 16176 1 475 . 1 1 41 41 LYS HD2 H 1 1.40825 0.100 . 1 . . . . 41 LYS HD2 . 16176 1 476 . 1 1 41 41 LYS HE2 H 1 2.7075 0.100 . 1 . . . . 41 LYS HE2 . 16176 1 477 . 1 1 41 41 LYS HG2 H 1 1.28325 0.101 . 1 . . . . 41 LYS HG2 . 16176 1 478 . 1 1 41 41 LYS HG3 H 1 1.19575 0.100 . 1 . . . . 41 LYS HG3 . 16176 1 479 . 1 1 41 41 LYS CA C 13 58.785 0.300 . 1 . . . . 41 LYS CA . 16176 1 480 . 1 1 41 41 LYS CB C 13 32.887 0.300 . 1 . . . . 41 LYS CB . 16176 1 481 . 1 1 41 41 LYS CD C 13 28.317 0.300 . 1 . . . . 41 LYS CD . 16176 1 482 . 1 1 41 41 LYS CE C 13 41.520 0.300 . 1 . . . . 41 LYS CE . 16176 1 483 . 1 1 41 41 LYS CG C 13 25.270 0.300 . 1 . . . . 41 LYS CG . 16176 1 484 . 1 1 41 41 LYS N N 15 119.364 0.300 . 1 . . . . 41 LYS N . 16176 1 485 . 1 1 42 42 GLU H H 1 7.133 0.100 . 1 . . . . 42 GLU HN . 16176 1 486 . 1 1 42 42 GLU HA H 1 3.9705 0.100 . 1 . . . . 42 GLU HA . 16176 1 487 . 1 1 42 42 GLU HB2 H 1 1.92625 0.101 . 1 . . . . 42 GLU HB2 . 16176 1 488 . 1 1 42 42 GLU HB3 H 1 1.858 0.101 . 1 . . . . 42 GLU HB3 . 16176 1 489 . 1 1 42 42 GLU HG2 H 1 2.15875 0.100 . 1 . . . . 42 GLU HG2 . 16176 1 490 . 1 1 42 42 GLU HG3 H 1 2.03975 0.101 . 1 . . . . 42 GLU HG3 . 16176 1 491 . 1 1 42 42 GLU CA C 13 58.785 0.300 . 1 . . . . 42 GLU CA . 16176 1 492 . 1 1 42 42 GLU CB C 13 30.856 0.300 . 1 . . . . 42 GLU CB . 16176 1 493 . 1 1 42 42 GLU CG C 13 36.442 0.300 . 1 . . . . 42 GLU CG . 16176 1 494 . 1 1 42 42 GLU N N 15 117.649 0.300 . 1 . . . . 42 GLU N . 16176 1 495 . 1 1 43 43 LEU H H 1 7.792 0.100 . 1 . . . . 43 LEU HN . 16176 1 496 . 1 1 43 43 LEU HA H 1 4.22325 0.100 . 1 . . . . 43 LEU HA . 16176 1 497 . 1 1 43 43 LEU HB2 H 1 1.43825 0.100 . 1 . . . . 43 LEU HB2 . 16176 1 498 . 1 1 43 43 LEU HB3 H 1 1.27675 0.100 . 1 . . . . 43 LEU HB3 . 16176 1 499 . 1 1 43 43 LEU HD11 H 1 0.84425 0.100 . 1 . . . . 43 LEU QD1 . 16176 1 500 . 1 1 43 43 LEU HD12 H 1 0.84425 0.100 . 1 . . . . 43 LEU QD1 . 16176 1 501 . 1 1 43 43 LEU HD13 H 1 0.84425 0.100 . 1 . . . . 43 LEU QD1 . 16176 1 502 . 1 1 43 43 LEU HD21 H 1 0.60375 0.100 . 1 . . . . 43 LEU QD2 . 16176 1 503 . 1 1 43 43 LEU HD22 H 1 0.60375 0.100 . 1 . . . . 43 LEU QD2 . 16176 1 504 . 1 1 43 43 LEU HD23 H 1 0.60375 0.100 . 1 . . . . 43 LEU QD2 . 16176 1 505 . 1 1 43 43 LEU HG H 1 1.83875 0.100 . 1 . . . . 43 LEU HG . 16176 1 506 . 1 1 43 43 LEU CA C 13 55.230 0.300 . 1 . . . . 43 LEU CA . 16176 1 507 . 1 1 43 43 LEU CB C 13 44.058 0.300 . 1 . . . . 43 LEU CB . 16176 1 508 . 1 1 43 43 LEU CD1 C 13 27.301 0.300 . 1 . . . . 43 LEU CD1 . 16176 1 509 . 1 1 43 43 LEU CD2 C 13 21.208 0.300 . 1 . . . . 43 LEU CD2 . 16176 1 510 . 1 1 43 43 LEU CG C 13 25.778 0.300 . 1 . . . . 43 LEU CG . 16176 1 511 . 1 1 43 43 LEU N N 15 116.082 0.300 . 1 . . . . 43 LEU N . 16176 1 512 . 1 1 44 44 GLY H H 1 6.9535 0.100 . 1 . . . . 44 GLY HN . 16176 1 513 . 1 1 44 44 GLY HA2 H 1 3.1225 0.102 . 1 . . . . 44 GLY HA1 . 16176 1 514 . 1 1 44 44 GLY HA3 H 1 1.93275 0.100 . 1 . . . . 44 GLY HA2 . 16176 1 515 . 1 1 44 44 GLY CA C 13 46.597 0.300 . 1 . . . . 44 GLY CA . 16176 1 516 . 1 1 44 44 GLY N N 15 106.968 0.300 . 1 . . . . 44 GLY N . 16176 1 517 . 1 1 45 45 GLU H H 1 7.613 0.100 . 1 . . . . 45 GLU HN . 16176 1 518 . 1 1 45 45 GLU HA H 1 4.2155 0.100 . 1 . . . . 45 GLU HA . 16176 1 519 . 1 1 45 45 GLU HB2 H 1 2.0305 0.101 . 1 . . . . 45 GLU HB2 . 16176 1 520 . 1 1 45 45 GLU HB3 H 1 1.52475 0.100 . 1 . . . . 45 GLU HB3 . 16176 1 521 . 1 1 45 45 GLU HG2 H 1 2.07825 0.103 . 1 . . . . 45 GLU HG2 . 16176 1 522 . 1 1 45 45 GLU HG3 H 1 1.946 0.101 . 1 . . . . 45 GLU HG3 . 16176 1 523 . 1 1 45 45 GLU CA C 13 54.722 0.300 . 1 . . . . 45 GLU CA . 16176 1 524 . 1 1 45 45 GLU CB C 13 29.840 0.300 . 1 . . . . 45 GLU CB . 16176 1 525 . 1 1 45 45 GLU CG C 13 35.934 0.300 . 1 . . . . 45 GLU CG . 16176 1 526 . 1 1 45 45 GLU N N 15 114.475 0.300 . 1 . . . . 45 GLU N . 16176 1 527 . 1 1 46 46 SER H H 1 7.9455 0.100 . 1 . . . . 46 SER HN . 16176 1 528 . 1 1 46 46 SER HA H 1 4.20125 0.100 . 1 . . . . 46 SER HA . 16176 1 529 . 1 1 46 46 SER HB2 H 1 4.126 0.100 . 1 . . . . 46 SER HB2 . 16176 1 530 . 1 1 46 46 SER HB3 H 1 3.99775 0.100 . 1 . . . . 46 SER HB3 . 16176 1 531 . 1 1 46 46 SER CA C 13 59.292 0.300 . 1 . . . . 46 SER CA . 16176 1 532 . 1 1 46 46 SER CB C 13 64.370 0.300 . 1 . . . . 46 SER CB . 16176 1 533 . 1 1 46 46 SER N N 15 117.665 0.300 . 1 . . . . 46 SER N . 16176 1 534 . 1 1 47 47 LEU H H 1 8.91 0.100 . 1 . . . . 47 LEU HN . 16176 1 535 . 1 1 47 47 LEU HA H 1 3.794 0.100 . 1 . . . . 47 LEU HA . 16176 1 536 . 1 1 47 47 LEU HB2 H 1 1.5625 0.102 . 1 . . . . 47 LEU HB2 . 16176 1 537 . 1 1 47 47 LEU HB3 H 1 1.378 0.100 . 1 . . . . 47 LEU HB3 . 16176 1 538 . 1 1 47 47 LEU HD11 H 1 0.76175 0.100 . 1 . . . . 47 LEU QD1 . 16176 1 539 . 1 1 47 47 LEU HD12 H 1 0.76175 0.100 . 1 . . . . 47 LEU QD1 . 16176 1 540 . 1 1 47 47 LEU HD13 H 1 0.76175 0.100 . 1 . . . . 47 LEU QD1 . 16176 1 541 . 1 1 47 47 LEU HD21 H 1 0.695 0.100 . 1 . . . . 47 LEU QD2 . 16176 1 542 . 1 1 47 47 LEU HD22 H 1 0.695 0.100 . 1 . . . . 47 LEU QD2 . 16176 1 543 . 1 1 47 47 LEU HD23 H 1 0.695 0.100 . 1 . . . . 47 LEU QD2 . 16176 1 544 . 1 1 47 47 LEU HG H 1 1.634 0.100 . 1 . . . . 47 LEU HG . 16176 1 545 . 1 1 47 47 LEU CA C 13 58.277 0.300 . 1 . . . . 47 LEU CA . 16176 1 546 . 1 1 47 47 LEU CB C 13 41.012 0.300 . 1 . . . . 47 LEU CB . 16176 1 547 . 1 1 47 47 LEU CD1 C 13 24.255 0.300 . 1 . . . . 47 LEU CD1 . 16176 1 548 . 1 1 47 47 LEU CD2 C 13 24.255 0.300 . 1 . . . . 47 LEU CD2 . 16176 1 549 . 1 1 47 47 LEU CG C 13 27.301 0.300 . 1 . . . . 47 LEU CG . 16176 1 550 . 1 1 47 47 LEU N N 15 125.659 0.300 . 1 . . . . 47 LEU N . 16176 1 551 . 1 1 48 48 GLU H H 1 10.609 0.100 . 1 . . . . 48 GLU HN . 16176 1 552 . 1 1 48 48 GLU HA H 1 3.85175 0.100 . 1 . . . . 48 GLU HA . 16176 1 553 . 1 1 48 48 GLU HB2 H 1 2.13625 0.103 . 1 . . . . 48 GLU HB2 . 16176 1 554 . 1 1 48 48 GLU HB3 H 1 1.712 0.100 . 1 . . . . 48 GLU HB3 . 16176 1 555 . 1 1 48 48 GLU HG2 H 1 2.4775 0.100 . 1 . . . . 48 GLU HG2 . 16176 1 556 . 1 1 48 48 GLU HG3 H 1 2.05 0.104 . 1 . . . . 48 GLU HG3 . 16176 1 557 . 1 1 48 48 GLU CA C 13 60.816 0.300 . 1 . . . . 48 GLU CA . 16176 1 558 . 1 1 48 48 GLU CB C 13 28.825 0.300 . 1 . . . . 48 GLU CB . 16176 1 559 . 1 1 48 48 GLU CG C 13 37.457 0.300 . 1 . . . . 48 GLU CG . 16176 1 560 . 1 1 48 48 GLU N N 15 118.244 0.300 . 1 . . . . 48 GLU N . 16176 1 561 . 1 1 49 49 TYR H H 1 7.499 0.100 . 1 . . . . 49 TYR HN . 16176 1 562 . 1 1 49 49 TYR HA H 1 3.7685 0.100 . 1 . . . . 49 TYR HA . 16176 1 563 . 1 1 49 49 TYR HB2 H 1 3.40125 0.100 . 1 . . . . 49 TYR HB2 . 16176 1 564 . 1 1 49 49 TYR HB3 H 1 2.555 0.100 . 1 . . . . 49 TYR HB3 . 16176 1 565 . 1 1 49 49 TYR HD1 H 1 6.70125 0.100 . 3 . . . . 49 TYR QD . 16176 1 566 . 1 1 49 49 TYR HD2 H 1 6.70125 0.100 . 3 . . . . 49 TYR QD . 16176 1 567 . 1 1 49 49 TYR HE1 H 1 6.6185 0.100 . 3 . . . . 49 TYR QE . 16176 1 568 . 1 1 49 49 TYR HE2 H 1 6.6185 0.100 . 3 . . . . 49 TYR QE . 16176 1 569 . 1 1 49 49 TYR CA C 13 61.323 0.300 . 1 . . . . 49 TYR CA . 16176 1 570 . 1 1 49 49 TYR CB C 13 39.996 0.300 . 1 . . . . 49 TYR CB . 16176 1 571 . 1 1 49 49 TYR CD1 C 13 130.284 0.300 . 1 . . . . 49 TYR CD1 . 16176 1 572 . 1 1 49 49 TYR CE1 C 13 115.473 0.300 . 1 . . . . 49 TYR CE1 . 16176 1 573 . 1 1 49 49 TYR N N 15 118.018 0.300 . 1 . . . . 49 TYR N . 16176 1 574 . 1 1 50 50 LYS H H 1 8.13 0.100 . 1 . . . . 50 LYS HN . 16176 1 575 . 1 1 50 50 LYS HA H 1 3.9285 0.100 . 1 . . . . 50 LYS HA . 16176 1 576 . 1 1 50 50 LYS HB2 H 1 1.77825 0.104 . 1 . . . . 50 LYS HB2 . 16176 1 577 . 1 1 50 50 LYS HD2 H 1 1.4965 0.100 . 1 . . . . 50 LYS HD2 . 16176 1 578 . 1 1 50 50 LYS HE2 H 1 2.804 0.100 . 1 . . . . 50 LYS HE2 . 16176 1 579 . 1 1 50 50 LYS HG2 H 1 1.68175 0.104 . 1 . . . . 50 LYS HG2 . 16176 1 580 . 1 1 50 50 LYS HG3 H 1 1.4065 0.100 . 1 . . . . 50 LYS HG3 . 16176 1 581 . 1 1 50 50 LYS CA C 13 59.800 0.300 . 1 . . . . 50 LYS CA . 16176 1 582 . 1 1 50 50 LYS CB C 13 32.887 0.300 . 1 . . . . 50 LYS CB . 16176 1 583 . 1 1 50 50 LYS CD C 13 30.348 0.300 . 1 . . . . 50 LYS CD . 16176 1 584 . 1 1 50 50 LYS CE C 13 42.027 0.300 . 1 . . . . 50 LYS CE . 16176 1 585 . 1 1 50 50 LYS CG C 13 26.286 0.300 . 1 . . . . 50 LYS CG . 16176 1 586 . 1 1 50 50 LYS N N 15 120.322 0.300 . 1 . . . . 50 LYS N . 16176 1 587 . 1 1 51 51 ALA H H 1 8.192 0.100 . 1 . . . . 51 ALA HN . 16176 1 588 . 1 1 51 51 ALA HA H 1 4.02175 0.102 . 1 . . . . 51 ALA HA . 16176 1 589 . 1 1 51 51 ALA HB1 H 1 1.3635 0.301 . 1 . . . . 51 ALA QB . 16176 1 590 . 1 1 51 51 ALA HB2 H 1 1.3635 0.101 . 1 . . . . 51 ALA QB . 16176 1 591 . 1 1 51 51 ALA HB3 H 1 1.3635 0.101 . 1 . . . . 51 ALA QB . 16176 1 592 . 1 1 51 51 ALA CA C 13 54.214 0.300 . 1 . . . . 51 ALA CA . 16176 1 593 . 1 1 51 51 ALA CB C 13 18.669 0.300 . 1 . . . . 51 ALA CB . 16176 1 594 . 1 1 51 51 ALA N N 15 121.402 0.300 . 1 . . . . 51 ALA N . 16176 1 595 . 1 1 52 52 LEU H H 1 6.666 0.100 . 1 . . . . 52 LEU HN . 16176 1 596 . 1 1 52 52 LEU HA H 1 4.241 0.101 . 1 . . . . 52 LEU HA . 16176 1 597 . 1 1 52 52 LEU HB2 H 1 1.467 0.101 . 1 . . . . 52 LEU HB2 . 16176 1 598 . 1 1 52 52 LEU HB3 H 1 0.982 0.100 . 1 . . . . 52 LEU HB3 . 16176 1 599 . 1 1 52 52 LEU HD11 H 1 0.5985 0.101 . 1 . . . . 52 LEU QD1 . 16176 1 600 . 1 1 52 52 LEU HD12 H 1 0.5985 0.101 . 1 . . . . 52 LEU QD1 . 16176 1 601 . 1 1 52 52 LEU HD13 H 1 0.5985 0.101 . 1 . . . . 52 LEU QD1 . 16176 1 602 . 1 1 52 52 LEU HD21 H 1 0.35425 0.100 . 1 . . . . 52 LEU QD2 . 16176 1 603 . 1 1 52 52 LEU HD22 H 1 0.35425 0.100 . 1 . . . . 52 LEU QD2 . 16176 1 604 . 1 1 52 52 LEU HD23 H 1 0.35425 0.100 . 1 . . . . 52 LEU QD2 . 16176 1 605 . 1 1 52 52 LEU HG H 1 1.26575 0.100 . 1 . . . . 52 LEU HG . 16176 1 606 . 1 1 52 52 LEU CA C 13 54.214 0.300 . 1 . . . . 52 LEU CA . 16176 1 607 . 1 1 52 52 LEU CB C 13 43.043 0.300 . 1 . . . . 52 LEU CB . 16176 1 608 . 1 1 52 52 LEU CD1 C 13 24.255 0.300 . 1 . . . . 52 LEU CD1 . 16176 1 609 . 1 1 52 52 LEU CD2 C 13 26.793 0.300 . 1 . . . . 52 LEU CD2 . 16176 1 610 . 1 1 52 52 LEU CG C 13 27.809 0.300 . 1 . . . . 52 LEU CG . 16176 1 611 . 1 1 52 52 LEU N N 15 115.425 0.300 . 1 . . . . 52 LEU N . 16176 1 612 . 1 1 53 53 GLY H H 1 7.587 0.100 . 1 . . . . 53 GLY HN . 16176 1 613 . 1 1 53 53 GLY HA2 H 1 3.65675 0.100 . 1 . . . . 53 GLY HA1 . 16176 1 614 . 1 1 53 53 GLY HA3 H 1 3.50775 0.101 . 1 . . . . 53 GLY HA2 . 16176 1 615 . 1 1 53 53 GLY CA C 13 47.613 0.300 . 1 . . . . 53 GLY CA . 16176 1 616 . 1 1 53 53 GLY N N 15 107.319 0.300 . 1 . . . . 53 GLY N . 16176 1 617 . 1 1 54 54 ASP H H 1 8.6425 0.100 . 1 . . . . 54 ASP HN . 16176 1 618 . 1 1 54 54 ASP HA H 1 4.67975 0.101 . 1 . . . . 54 ASP HA . 16176 1 619 . 1 1 54 54 ASP HB2 H 1 2.65675 0.103 . 1 . . . . 54 ASP HB2 . 16176 1 620 . 1 1 54 54 ASP HB3 H 1 2.458 0.100 . 1 . . . . 54 ASP HB3 . 16176 1 621 . 1 1 54 54 ASP CA C 13 54.214 0.300 . 1 . . . . 54 ASP CA . 16176 1 622 . 1 1 54 54 ASP CB C 13 41.012 0.300 . 1 . . . . 54 ASP CB . 16176 1 623 . 1 1 54 54 ASP N N 15 123.226 0.300 . 1 . . . . 54 ASP N . 16176 1 624 . 1 1 55 55 GLU H H 1 7.6295 0.100 . 1 . . . . 55 GLU HN . 16176 1 625 . 1 1 55 55 GLU HA H 1 4.513 0.100 . 1 . . . . 55 GLU HA . 16176 1 626 . 1 1 55 55 GLU HB2 H 1 1.9075 0.102 . 1 . . . . 55 GLU HB2 . 16176 1 627 . 1 1 55 55 GLU HB3 H 1 1.65725 0.104 . 1 . . . . 55 GLU HB3 . 16176 1 628 . 1 1 55 55 GLU HG2 H 1 2.01675 0.100 . 1 . . . . 55 GLU HG2 . 16176 1 629 . 1 1 55 55 GLU CA C 13 54.214 0.300 . 1 . . . . 55 GLU CA . 16176 1 630 . 1 1 55 55 GLU CB C 13 27.301 0.300 . 1 . . . . 55 GLU CB . 16176 1 631 . 1 1 55 55 GLU CG C 13 34.410 0.300 . 1 . . . . 55 GLU CG . 16176 1 632 . 1 1 55 55 GLU N N 15 121.853 0.300 . 1 . . . . 55 GLU N . 16176 1 633 . 1 1 56 56 ASP H H 1 8.1905 0.100 . 1 . . . . 56 ASP HN . 16176 1 634 . 1 1 56 56 ASP HA H 1 3.90775 0.100 . 1 . . . . 56 ASP HA . 16176 1 635 . 1 1 56 56 ASP HB2 H 1 2.55625 0.101 . 1 . . . . 56 ASP HB2 . 16176 1 636 . 1 1 56 56 ASP HB3 H 1 2.34175 0.101 . 1 . . . . 56 ASP HB3 . 16176 1 637 . 1 1 56 56 ASP CA C 13 57.769 0.300 . 1 . . . . 56 ASP CA . 16176 1 638 . 1 1 56 56 ASP CB C 13 42.535 0.300 . 1 . . . . 56 ASP CB . 16176 1 639 . 1 1 56 56 ASP N N 15 122.580 0.300 . 1 . . . . 56 ASP N . 16176 1 640 . 1 1 57 57 ASN H H 1 8.5555 0.100 . 1 . . . . 57 ASN HN . 16176 1 641 . 1 1 57 57 ASN HA H 1 4.06925 0.100 . 1 . . . . 57 ASN HA . 16176 1 642 . 1 1 57 57 ASN HB2 H 1 2.5985 0.101 . 1 . . . . 57 ASN HB2 . 16176 1 643 . 1 1 57 57 ASN HB3 H 1 2.53375 0.104 . 1 . . . . 57 ASN HB3 . 16176 1 644 . 1 1 57 57 ASN HD21 H 1 7.555 0.102 . 1 . . . . 57 ASN HD21 . 16176 1 645 . 1 1 57 57 ASN HD22 H 1 6.864 0.104 . 1 . . . . 57 ASN HD22 . 16176 1 646 . 1 1 57 57 ASN CA C 13 56.753 0.300 . 1 . . . . 57 ASN CA . 16176 1 647 . 1 1 57 57 ASN CB C 13 36.949 0.300 . 1 . . . . 57 ASN CB . 16176 1 648 . 1 1 57 57 ASN N N 15 114.014 0.300 . 1 . . . . 57 ASN N . 16176 1 649 . 1 1 58 58 ILE H H 1 7.222 0.101 . 1 . . . . 58 ILE HN . 16176 1 650 . 1 1 58 58 ILE HA H 1 3.59375 0.100 . 1 . . . . 58 ILE HA . 16176 1 651 . 1 1 58 58 ILE HB H 1 1.7965 0.101 . 1 . . . . 58 ILE HB . 16176 1 652 . 1 1 58 58 ILE HD11 H 1 0.6535 0.100 . 1 . . . . 58 ILE QD1 . 16176 1 653 . 1 1 58 58 ILE HD12 H 1 0.6535 0.100 . 1 . . . . 58 ILE QD1 . 16176 1 654 . 1 1 58 58 ILE HD13 H 1 0.6535 0.100 . 1 . . . . 58 ILE QD1 . 16176 1 655 . 1 1 58 58 ILE HG12 H 1 1.50475 0.103 . 1 . . . . 58 ILE HG12 . 16176 1 656 . 1 1 58 58 ILE HG13 H 1 0.97975 0.102 . 1 . . . . 58 ILE HG13 . 16176 1 657 . 1 1 58 58 ILE HG21 H 1 0.6745 0.102 . 1 . . . . 58 ILE QG2 . 16176 1 658 . 1 1 58 58 ILE HG22 H 1 0.6745 0.102 . 1 . . . . 58 ILE QG2 . 16176 1 659 . 1 1 58 58 ILE HG23 H 1 0.6745 0.102 . 1 . . . . 58 ILE QG2 . 16176 1 660 . 1 1 58 58 ILE CA C 13 64.370 0.300 . 1 . . . . 58 ILE CA . 16176 1 661 . 1 1 58 58 ILE CB C 13 36.949 0.300 . 1 . . . . 58 ILE CB . 16176 1 662 . 1 1 58 58 ILE CD1 C 13 12.575 0.300 . 1 . . . . 58 ILE CD1 . 16176 1 663 . 1 1 58 58 ILE CG1 C 13 28.825 0.300 . 1 . . . . 58 ILE CG1 . 16176 1 664 . 1 1 58 58 ILE CG2 C 13 18.161 0.300 . 1 . . . . 58 ILE CG2 . 16176 1 665 . 1 1 58 58 ILE N N 15 120.543 0.300 . 1 . . . . 58 ILE N . 16176 1 666 . 1 1 59 59 ARG H H 1 6.8425 0.100 . 1 . . . . 59 ARG HN . 16176 1 667 . 1 1 59 59 ARG HA H 1 3.24125 0.101 . 1 . . . . 59 ARG HA . 16176 1 668 . 1 1 59 59 ARG HB2 H 1 1.3705 0.100 . 1 . . . . 59 ARG HB2 . 16176 1 669 . 1 1 59 59 ARG HB3 H 1 1.053 0.100 . 1 . . . . 59 ARG HB3 . 16176 1 670 . 1 1 59 59 ARG HD2 H 1 2.261 0.102 . 1 . . . . 59 ARG HD2 . 16176 1 671 . 1 1 59 59 ARG HD3 H 1 1.80375 0.100 . 1 . . . . 59 ARG HD3 . 16176 1 672 . 1 1 59 59 ARG HE H 1 7.322 0.100 . 1 . . . . 59 ARG HE . 16176 1 673 . 1 1 59 59 ARG HG2 H 1 1.015 0.104 . 1 . . . . 59 ARG HG2 . 16176 1 674 . 1 1 59 59 ARG HG3 H 1 0.3495 0.101 . 1 . . . . 59 ARG HG3 . 16176 1 675 . 1 1 59 59 ARG HH11 H 1 6.795 0.101 . 1 . . . . 59 ARG HH1 . 16176 1 676 . 1 1 59 59 ARG HH12 H 1 6.795 0.101 . 1 . . . . 59 ARG HH1 . 16176 1 677 . 1 1 59 59 ARG HH21 H 1 6.754 0.101 . 1 . . . . 59 ARG HH21 . 16176 1 678 . 1 1 59 59 ARG CA C 13 59.800 0.300 . 1 . . . . 59 ARG CA . 16176 1 679 . 1 1 59 59 ARG CB C 13 30.856 0.300 . 1 . . . . 59 ARG CB . 16176 1 680 . 1 1 59 59 ARG CD C 13 43.043 0.300 . 1 . . . . 59 ARG CD . 16176 1 681 . 1 1 59 59 ARG CG C 13 29.332 0.300 . 1 . . . . 59 ARG CG . 16176 1 682 . 1 1 59 59 ARG N N 15 116.489 0.300 . 1 . . . . 59 ARG N . 16176 1 683 . 1 1 60 60 ARG H H 1 7.71 0.100 . 1 . . . . 60 ARG HN . 16176 1 684 . 1 1 60 60 ARG HA H 1 2.271 0.100 . 1 . . . . 60 ARG HA . 16176 1 685 . 1 1 60 60 ARG HB2 H 1 1.18975 0.102 . 1 . . . . 60 ARG HB2 . 16176 1 686 . 1 1 60 60 ARG HB3 H 1 0.82125 0.100 . 1 . . . . 60 ARG HB3 . 16176 1 687 . 1 1 60 60 ARG HD2 H 1 2.82125 0.102 . 1 . . . . 60 ARG HD2 . 16176 1 688 . 1 1 60 60 ARG HD3 H 1 2.74975 0.101 . 1 . . . . 60 ARG HD3 . 16176 1 689 . 1 1 60 60 ARG HE H 1 7.443 0.100 . 1 . . . . 60 ARG HE . 16176 1 690 . 1 1 60 60 ARG HG2 H 1 0.7585 0.100 . 1 . . . . 60 ARG HG2 . 16176 1 691 . 1 1 60 60 ARG HG3 H 1 0.60675 0.100 . 1 . . . . 60 ARG HG3 . 16176 1 692 . 1 1 60 60 ARG HH11 H 1 6.852 0.101 . 1 . . . . 60 ARG HH1 . 16176 1 693 . 1 1 60 60 ARG HH12 H 1 6.852 0.101 . 1 . . . . 60 ARG HH1 . 16176 1 694 . 1 1 60 60 ARG HH21 H 1 6.447 0.100 . 1 . . . . 60 ARG HH21 . 16176 1 695 . 1 1 60 60 ARG CA C 13 59.800 0.300 . 1 . . . . 60 ARG CA . 16176 1 696 . 1 1 60 60 ARG CB C 13 29.840 0.300 . 1 . . . . 60 ARG CB . 16176 1 697 . 1 1 60 60 ARG CD C 13 43.551 0.300 . 1 . . . . 60 ARG CD . 16176 1 698 . 1 1 60 60 ARG CG C 13 27.301 0.300 . 1 . . . . 60 ARG CG . 16176 1 699 . 1 1 60 60 ARG N N 15 117.622 0.300 . 1 . . . . 60 ARG N . 16176 1 700 . 1 1 61 61 GLN H H 1 7.4525 0.100 . 1 . . . . 61 GLN HN . 16176 1 701 . 1 1 61 61 GLN HA H 1 3.70825 0.102 . 1 . . . . 61 GLN HA . 16176 1 702 . 1 1 61 61 GLN HB2 H 1 1.9685 0.101 . 1 . . . . 61 GLN HB2 . 16176 1 703 . 1 1 61 61 GLN HE21 H 1 7.416 0.100 . 1 . . . . 61 GLN HE21 . 16176 1 704 . 1 1 61 61 GLN HE22 H 1 6.542 0.100 . 1 . . . . 61 GLN HE22 . 16176 1 705 . 1 1 61 61 GLN HG2 H 1 2.23125 0.100 . 1 . . . . 61 GLN HG2 . 16176 1 706 . 1 1 61 61 GLN HG3 H 1 2.13475 0.100 . 1 . . . . 61 GLN HG3 . 16176 1 707 . 1 1 61 61 GLN CA C 13 58.785 0.300 . 1 . . . . 61 GLN CA . 16176 1 708 . 1 1 61 61 GLN CB C 13 28.317 0.300 . 1 . . . . 61 GLN CB . 16176 1 709 . 1 1 61 61 GLN CG C 13 33.395 0.300 . 1 . . . . 61 GLN CG . 16176 1 710 . 1 1 61 61 GLN N N 15 116.792 0.300 . 1 . . . . 61 GLN N . 16176 1 711 . 1 1 62 62 ILE H H 1 7.7515 0.100 . 1 . . . . 62 ILE HN . 16176 1 712 . 1 1 62 62 ILE HA H 1 3.624 0.100 . 1 . . . . 62 ILE HA . 16176 1 713 . 1 1 62 62 ILE HB H 1 1.90375 0.100 . 1 . . . . 62 ILE HB . 16176 1 714 . 1 1 62 62 ILE HD11 H 1 0.8825 0.100 . 1 . . . . 62 ILE QD1 . 16176 1 715 . 1 1 62 62 ILE HD12 H 1 0.8825 0.100 . 1 . . . . 62 ILE QD1 . 16176 1 716 . 1 1 62 62 ILE HD13 H 1 0.8825 0.100 . 1 . . . . 62 ILE QD1 . 16176 1 717 . 1 1 62 62 ILE HG12 H 1 1.87525 0.100 . 1 . . . . 62 ILE HG12 . 16176 1 718 . 1 1 62 62 ILE HG13 H 1 1.04875 0.102 . 1 . . . . 62 ILE HG13 . 16176 1 719 . 1 1 62 62 ILE HG21 H 1 0.968 0.100 . 1 . . . . 62 ILE QG2 . 16176 1 720 . 1 1 62 62 ILE HG22 H 1 0.968 0.100 . 1 . . . . 62 ILE QG2 . 16176 1 721 . 1 1 62 62 ILE HG23 H 1 0.968 0.100 . 1 . . . . 62 ILE QG2 . 16176 1 722 . 1 1 62 62 ILE CA C 13 65.386 0.300 . 1 . . . . 62 ILE CA . 16176 1 723 . 1 1 62 62 ILE CB C 13 38.473 0.300 . 1 . . . . 62 ILE CB . 16176 1 724 . 1 1 62 62 ILE CD1 C 13 15.114 0.300 . 1 . . . . 62 ILE CD1 . 16176 1 725 . 1 1 62 62 ILE CG1 C 13 28.825 0.300 . 1 . . . . 62 ILE CG1 . 16176 1 726 . 1 1 62 62 ILE CG2 C 13 17.145 0.300 . 1 . . . . 62 ILE CG2 . 16176 1 727 . 1 1 62 62 ILE N N 15 118.652 0.300 . 1 . . . . 62 ILE N . 16176 1 728 . 1 1 63 63 PHE H H 1 7.9885 0.100 . 1 . . . . 63 PHE HN . 16176 1 729 . 1 1 63 63 PHE HA H 1 3.95275 0.100 . 1 . . . . 63 PHE HA . 16176 1 730 . 1 1 63 63 PHE HB2 H 1 3.1695 0.101 . 1 . . . . 63 PHE HB2 . 16176 1 731 . 1 1 63 63 PHE HB3 H 1 3.03525 0.102 . 1 . . . . 63 PHE HB3 . 16176 1 732 . 1 1 63 63 PHE HD1 H 1 7.1805 0.100 . 3 . . . . 63 PHE QD . 16176 1 733 . 1 1 63 63 PHE HD2 H 1 7.1805 0.100 . 3 . . . . 63 PHE QD . 16176 1 734 . 1 1 63 63 PHE HE1 H 1 6.9765 0.100 . 3 . . . . 63 PHE QE . 16176 1 735 . 1 1 63 63 PHE HE2 H 1 6.9765 0.100 . 3 . . . . 63 PHE QE . 16176 1 736 . 1 1 63 63 PHE HZ H 1 7.159 0.100 . 1 . . . . 63 PHE HZ . 16176 1 737 . 1 1 63 63 PHE CA C 13 62.847 0.300 . 1 . . . . 63 PHE CA . 16176 1 738 . 1 1 63 63 PHE CB C 13 40.504 0.300 . 1 . . . . 63 PHE CB . 16176 1 739 . 1 1 63 63 PHE CD1 C 13 129.115 0.300 . 1 . . . . 63 PHE CD1 . 16176 1 740 . 1 1 63 63 PHE CE1 C 13 128.749 0.300 . 1 . . . . 63 PHE CE1 . 16176 1 741 . 1 1 63 63 PHE CZ C 13 128.274 0.300 . 1 . . . . 63 PHE CZ . 16176 1 742 . 1 1 63 63 PHE N N 15 118.167 0.300 . 1 . . . . 63 PHE N . 16176 1 743 . 1 1 64 64 GLU H H 1 8.8795 0.100 . 1 . . . . 64 GLU HN . 16176 1 744 . 1 1 64 64 GLU HA H 1 3.63675 0.100 . 1 . . . . 64 GLU HA . 16176 1 745 . 1 1 64 64 GLU HB2 H 1 1.964 0.100 . 1 . . . . 64 GLU HB2 . 16176 1 746 . 1 1 64 64 GLU HB3 H 1 1.882 0.100 . 1 . . . . 64 GLU HB3 . 16176 1 747 . 1 1 64 64 GLU HG2 H 1 2.39425 0.101 . 1 . . . . 64 GLU HG2 . 16176 1 748 . 1 1 64 64 GLU HG3 H 1 2.273 0.105 . 1 . . . . 64 GLU HG3 . 16176 1 749 . 1 1 64 64 GLU CA C 13 59.800 0.300 . 1 . . . . 64 GLU CA . 16176 1 750 . 1 1 64 64 GLU CB C 13 29.332 0.300 . 1 . . . . 64 GLU CB . 16176 1 751 . 1 1 64 64 GLU CG C 13 36.442 0.300 . 1 . . . . 64 GLU CG . 16176 1 752 . 1 1 64 64 GLU N N 15 120.579 0.300 . 1 . . . . 64 GLU N . 16176 1 753 . 1 1 65 65 ASP H H 1 7.713 0.100 . 1 . . . . 65 ASP HN . 16176 1 754 . 1 1 65 65 ASP HA H 1 4.27725 0.100 . 1 . . . . 65 ASP HA . 16176 1 755 . 1 1 65 65 ASP HB2 H 1 2.5955 0.100 . 1 . . . . 65 ASP HB2 . 16176 1 756 . 1 1 65 65 ASP CA C 13 56.246 0.300 . 1 . . . . 65 ASP CA . 16176 1 757 . 1 1 65 65 ASP CB C 13 41.520 0.300 . 1 . . . . 65 ASP CB . 16176 1 758 . 1 1 65 65 ASP N N 15 116.584 0.300 . 1 . . . . 65 ASP N . 16176 1 759 . 1 1 66 66 PHE H H 1 7.368 0.100 . 1 . . . . 66 PHE HN . 16176 1 760 . 1 1 66 66 PHE HA H 1 4.28575 0.102 . 1 . . . . 66 PHE HA . 16176 1 761 . 1 1 66 66 PHE HB2 H 1 3.1525 0.100 . 1 . . . . 66 PHE HB2 . 16176 1 762 . 1 1 66 66 PHE HB3 H 1 2.69475 0.100 . 1 . . . . 66 PHE HB3 . 16176 1 763 . 1 1 66 66 PHE HD1 H 1 6.64925 0.101 . 3 . . . . 66 PHE QD . 16176 1 764 . 1 1 66 66 PHE HD2 H 1 6.64925 0.101 . 3 . . . . 66 PHE QD . 16176 1 765 . 1 1 66 66 PHE HE1 H 1 6.772 0.100 . 3 . . . . 66 PHE QE . 16176 1 766 . 1 1 66 66 PHE HE2 H 1 6.772 0.100 . 3 . . . . 66 PHE QE . 16176 1 767 . 1 1 66 66 PHE HZ H 1 7.338 0.100 . 1 . . . . 66 PHE HZ . 16176 1 768 . 1 1 66 66 PHE CA C 13 58.785 0.300 . 1 . . . . 66 PHE CA . 16176 1 769 . 1 1 66 66 PHE CB C 13 40.504 0.300 . 1 . . . . 66 PHE CB . 16176 1 770 . 1 1 66 66 PHE CD1 C 13 128.464 0.300 . 1 . . . . 66 PHE CD1 . 16176 1 771 . 1 1 66 66 PHE CE1 C 13 127.705 0.300 . 1 . . . . 66 PHE CE1 . 16176 1 772 . 1 1 66 66 PHE CZ C 13 125.758 0.300 . 1 . . . . 66 PHE CZ . 16176 1 773 . 1 1 66 66 PHE N N 15 121.913 0.300 . 1 . . . . 66 PHE N . 16176 1 774 . 1 1 67 67 LYS H H 1 7.791 0.100 . 1 . . . . 67 LYS HN . 16176 1 775 . 1 1 67 67 LYS HA H 1 4.248 0.101 . 1 . . . . 67 LYS HA . 16176 1 776 . 1 1 67 67 LYS HB2 H 1 1.372 0.100 . 1 . . . . 67 LYS HB2 . 16176 1 777 . 1 1 67 67 LYS HD2 H 1 1.4295 0.101 . 1 . . . . 67 LYS HD2 . 16176 1 778 . 1 1 67 67 LYS HE2 H 1 2.7745 0.103 . 1 . . . . 67 LYS HE2 . 16176 1 779 . 1 1 67 67 LYS HG2 H 1 1.1955 0.103 . 1 . . . . 67 LYS HG2 . 16176 1 780 . 1 1 67 67 LYS HG3 H 1 1.106 0.100 . 1 . . . . 67 LYS HG3 . 16176 1 781 . 1 1 67 67 LYS CA C 13 51.675 0.300 . 1 . . . . 67 LYS CA . 16176 1 782 . 1 1 67 67 LYS CB C 13 34.410 0.300 . 1 . . . . 67 LYS CB . 16176 1 783 . 1 1 67 67 LYS CD C 13 29.332 0.300 . 1 . . . . 67 LYS CD . 16176 1 784 . 1 1 67 67 LYS CE C 13 42.535 0.300 . 1 . . . . 67 LYS CE . 16176 1 785 . 1 1 67 67 LYS CG C 13 24.762 0.300 . 1 . . . . 67 LYS CG . 16176 1 786 . 1 1 67 67 LYS N N 15 129.906 0.300 . 1 . . . . 67 LYS N . 16176 1 787 . 1 1 68 68 PRO HA H 1 4.013 0.100 . 1 . . . . 68 PRO HA . 16176 1 788 . 1 1 68 68 PRO HB2 H 1 1.8565 0.100 . 1 . . . . 68 PRO HB2 . 16176 1 789 . 1 1 68 68 PRO HB3 H 1 1.48075 0.100 . 1 . . . . 68 PRO HB3 . 16176 1 790 . 1 1 68 68 PRO HD2 H 1 3.367 0.100 . 1 . . . . 68 PRO HD2 . 16176 1 791 . 1 1 68 68 PRO HD3 H 1 2.9335 0.100 . 1 . . . . 68 PRO HD3 . 16176 1 792 . 1 1 68 68 PRO HG2 H 1 1.8315 0.100 . 1 . . . . 68 PRO HG2 . 16176 1 793 . 1 1 68 68 PRO HG3 H 1 1.5655 0.100 . 1 . . . . 68 PRO HG3 . 16176 1 794 . 1 1 68 68 PRO CA C 13 62.339 0.300 . 1 . . . . 68 PRO CA . 16176 1 795 . 1 1 68 68 PRO CB C 13 32.887 0.300 . 1 . . . . 68 PRO CB . 16176 1 796 . 1 1 68 68 PRO CD C 13 50.660 0.300 . 1 . . . . 68 PRO CD . 16176 1 797 . 1 1 68 68 PRO CG C 13 27.809 0.300 . 1 . . . . 68 PRO CG . 16176 1 798 . 1 1 69 69 GLU H H 1 8.677 0.100 . 1 . . . . 69 GLU HN . 16176 1 799 . 1 1 69 69 GLU HA H 1 4.05175 0.100 . 1 . . . . 69 GLU HA . 16176 1 800 . 1 1 69 69 GLU HB2 H 1 1.94725 0.100 . 1 . . . . 69 GLU HB2 . 16176 1 801 . 1 1 69 69 GLU HB3 H 1 1.765 0.102 . 1 . . . . 69 GLU HB3 . 16176 1 802 . 1 1 69 69 GLU HG2 H 1 2.18575 0.102 . 1 . . . . 69 GLU HG2 . 16176 1 803 . 1 1 69 69 GLU HG3 H 1 2.121 0.102 . 1 . . . . 69 GLU HG3 . 16176 1 804 . 1 1 69 69 GLU CA C 13 57.261 0.300 . 1 . . . . 69 GLU CA . 16176 1 805 . 1 1 69 69 GLU CB C 13 32.887 0.300 . 1 . . . . 69 GLU CB . 16176 1 806 . 1 1 69 69 GLU CG C 13 36.949 0.300 . 1 . . . . 69 GLU CG . 16176 1 807 . 1 1 69 69 GLU N N 15 128.169 0.300 . 1 . . . . 69 GLU N . 16176 1 stop_ save_