data_15477 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15477 _Entry.Title ; Solution structure of the extracellular domain of Prod1, a protein implicated in proximodistal identity during amphibian limb regeneration ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-09-19 _Entry.Accession_date 2007-09-19 _Entry.Last_release_date 2009-10-14 _Entry.Original_release_date 2009-10-14 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Acely Garza-Garcia . . . 15477 2 Richard Harris . . . 15477 3 Diego Esposito . . . 15477 4 Paul Driscoll . C. . 15477 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 . 'not applicable' 'not applicable' . 15477 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID CD59 . 15477 'Limb regeneration' . 15477 Ly-6 . 15477 'three-finger snake toxin' . 15477 UPAR . 15477 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15477 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 300 15477 '15N chemical shifts' 69 15477 '1H chemical shifts' 461 15477 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 . . 2009-10-14 2007-09-19 original author . 15477 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JVE 'BMRB Entry Tracking System' 15477 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15477 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19771161 _Citation.Full_citation . _Citation.Title 'Solution structure and phylogenetics of Prod1, a member of the three-finger protein superfamily implicated in salamander limb regeneration.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS One' _Citation.Journal_name_full . _Citation.Journal_volume 4 _Citation.Journal_issue 9 _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 7123 _Citation.Page_last . _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 Acely Garza-Garcia . . . 15477 1 2 Richard Harris . . . 15477 1 3 Diego Esposito . . . 15477 1 4 Phillip Gates . B. . 15477 1 5 Paul Driscoll . C. . 15477 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15477 _Assembly.ID 1 _Assembly.Name Prod1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10208.4 _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 Prod1 1 $Prod1 A . yes native no no . . . 15477 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 25 25 SG . 1 . 1 CYS 45 45 SG . . . . . . . . . . 15477 1 2 disulfide single . 1 . 1 CYS 38 38 SG . 1 . 1 CYS 58 58 SG . . . . . . . . . . 15477 1 3 disulfide single . 1 . 1 CYS 64 64 SG . 1 . 1 CYS 80 80 SG . . . . . . . . . . 15477 1 4 disulfide single . 1 . 1 CYS 81 81 SG . 1 . 1 CYS 86 86 SG . . . . . . . . . . 15477 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Prod1 _Entity.Sf_category entity _Entity.Sf_framecode Prod1 _Entity.Entry_ID 15477 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Prod1 _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 ; MGSSHHHHHHSSGLVPRGSH MALKCFTRNGDDRTVTTCAE EQTRCLFVQLPYSEIQECKT VQQCAEVLEEVTAIGYPAKC CCEDLCNRSEQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 'First residue of protein sequence is Ala 19' _Entity.Polymer_author_seq_details ; His Tag MGSSHHHHHH SSGLVPRGSH M Protein Sequence ALKCFTRNGDDRTVTTCAEEQTRCLFVQLPYSEIQECKTVQQCAEVLEEVTAIGYPAKCCCEDLCNRSEQ ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10208.4 _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 2JVE . "Solution Structure Of The Extracellular Domain Of Prod1, A Protein Implicated In Proximodistal Identity During Amphibian Limb R" . . . . . 100.00 91 100.00 100.00 1.64e-59 . . . . 15477 1 2 no GB ABV29331 . "Prod 1 [Notophthalmus viridescens]" . . . . . 80.22 106 97.26 97.26 1.00e-42 . . . . 15477 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 -2 MET . 15477 1 2 -1 GLY . 15477 1 3 0 SER . 15477 1 4 1 SER . 15477 1 5 2 HIS . 15477 1 6 3 HIS . 15477 1 7 4 HIS . 15477 1 8 5 HIS . 15477 1 9 6 HIS . 15477 1 10 7 HIS . 15477 1 11 8 SER . 15477 1 12 9 SER . 15477 1 13 10 GLY . 15477 1 14 11 LEU . 15477 1 15 12 VAL . 15477 1 16 13 PRO . 15477 1 17 14 ARG . 15477 1 18 15 GLY . 15477 1 19 16 SER . 15477 1 20 17 HIS . 15477 1 21 18 MET . 15477 1 22 19 ALA . 15477 1 23 20 LEU . 15477 1 24 21 LYS . 15477 1 25 22 CYS . 15477 1 26 23 PHE . 15477 1 27 24 THR . 15477 1 28 25 ARG . 15477 1 29 26 ASN . 15477 1 30 27 GLY . 15477 1 31 28 ASP . 15477 1 32 29 ASP . 15477 1 33 30 ARG . 15477 1 34 31 THR . 15477 1 35 32 VAL . 15477 1 36 33 THR . 15477 1 37 34 THR . 15477 1 38 35 CYS . 15477 1 39 36 ALA . 15477 1 40 37 GLU . 15477 1 41 38 GLU . 15477 1 42 39 GLN . 15477 1 43 40 THR . 15477 1 44 41 ARG . 15477 1 45 42 CYS . 15477 1 46 43 LEU . 15477 1 47 44 PHE . 15477 1 48 45 VAL . 15477 1 49 46 GLN . 15477 1 50 47 LEU . 15477 1 51 48 PRO . 15477 1 52 49 TYR . 15477 1 53 50 SER . 15477 1 54 51 GLU . 15477 1 55 52 ILE . 15477 1 56 53 GLN . 15477 1 57 54 GLU . 15477 1 58 55 CYS . 15477 1 59 56 LYS . 15477 1 60 57 THR . 15477 1 61 58 VAL . 15477 1 62 59 GLN . 15477 1 63 60 GLN . 15477 1 64 61 CYS . 15477 1 65 62 ALA . 15477 1 66 63 GLU . 15477 1 67 64 VAL . 15477 1 68 65 LEU . 15477 1 69 66 GLU . 15477 1 70 67 GLU . 15477 1 71 68 VAL . 15477 1 72 69 THR . 15477 1 73 70 ALA . 15477 1 74 71 ILE . 15477 1 75 72 GLY . 15477 1 76 73 TYR . 15477 1 77 74 PRO . 15477 1 78 75 ALA . 15477 1 79 76 LYS . 15477 1 80 77 CYS . 15477 1 81 78 CYS . 15477 1 82 79 CYS . 15477 1 83 80 GLU . 15477 1 84 81 ASP . 15477 1 85 82 LEU . 15477 1 86 83 CYS . 15477 1 87 84 ASN . 15477 1 88 85 ARG . 15477 1 89 86 SER . 15477 1 90 87 GLU . 15477 1 91 88 GLN . 15477 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 . MET 1 1 15477 1 . GLY 2 2 15477 1 . SER 3 3 15477 1 . SER 4 4 15477 1 . HIS 5 5 15477 1 . HIS 6 6 15477 1 . HIS 7 7 15477 1 . HIS 8 8 15477 1 . HIS 9 9 15477 1 . HIS 10 10 15477 1 . SER 11 11 15477 1 . SER 12 12 15477 1 . GLY 13 13 15477 1 . LEU 14 14 15477 1 . VAL 15 15 15477 1 . PRO 16 16 15477 1 . ARG 17 17 15477 1 . GLY 18 18 15477 1 . SER 19 19 15477 1 . HIS 20 20 15477 1 . MET 21 21 15477 1 . ALA 22 22 15477 1 . LEU 23 23 15477 1 . LYS 24 24 15477 1 . CYS 25 25 15477 1 . PHE 26 26 15477 1 . THR 27 27 15477 1 . ARG 28 28 15477 1 . ASN 29 29 15477 1 . GLY 30 30 15477 1 . ASP 31 31 15477 1 . ASP 32 32 15477 1 . ARG 33 33 15477 1 . THR 34 34 15477 1 . VAL 35 35 15477 1 . THR 36 36 15477 1 . THR 37 37 15477 1 . CYS 38 38 15477 1 . ALA 39 39 15477 1 . GLU 40 40 15477 1 . GLU 41 41 15477 1 . GLN 42 42 15477 1 . THR 43 43 15477 1 . ARG 44 44 15477 1 . CYS 45 45 15477 1 . LEU 46 46 15477 1 . PHE 47 47 15477 1 . VAL 48 48 15477 1 . GLN 49 49 15477 1 . LEU 50 50 15477 1 . PRO 51 51 15477 1 . TYR 52 52 15477 1 . SER 53 53 15477 1 . GLU 54 54 15477 1 . ILE 55 55 15477 1 . GLN 56 56 15477 1 . GLU 57 57 15477 1 . CYS 58 58 15477 1 . LYS 59 59 15477 1 . THR 60 60 15477 1 . VAL 61 61 15477 1 . GLN 62 62 15477 1 . GLN 63 63 15477 1 . CYS 64 64 15477 1 . ALA 65 65 15477 1 . GLU 66 66 15477 1 . VAL 67 67 15477 1 . LEU 68 68 15477 1 . GLU 69 69 15477 1 . GLU 70 70 15477 1 . VAL 71 71 15477 1 . THR 72 72 15477 1 . ALA 73 73 15477 1 . ILE 74 74 15477 1 . GLY 75 75 15477 1 . TYR 76 76 15477 1 . PRO 77 77 15477 1 . ALA 78 78 15477 1 . LYS 79 79 15477 1 . CYS 80 80 15477 1 . CYS 81 81 15477 1 . CYS 82 82 15477 1 . GLU 83 83 15477 1 . ASP 84 84 15477 1 . LEU 85 85 15477 1 . CYS 86 86 15477 1 . ASN 87 87 15477 1 . ARG 88 88 15477 1 . SER 89 89 15477 1 . GLU 90 90 15477 1 . GLN 91 91 15477 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 15477 _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 $Prod1 . 8316 organism . 'Notophthalmus viridescens' 'Eastern newt' . . Eukaryota Metazoa Notophthalmus viridescens . . . . . . . . . . . . . . . . . . ; Eastern newt lambdaZap cDNA forelimb blastemal library ; . . 15477 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 15477 _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 $Prod1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 (DE3)' Gold . . . . . . . . . . . . . . pET15b . . . . . . 15477 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15477 _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 Prod1 [U-15N] . . 1 $Prod1 . . 1 . . mM . . . . 15477 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15477 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15477 1 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15477 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15477 1 6 D2O . . . . . . . 10 . . % . . . . 15477 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15477 _Sample.ID 2 _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 Prod1 '[U-13C; U-15N]' . . 1 $Prod1 . . 1 . . mM . . . . 15477 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15477 2 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15477 2 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15477 2 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15477 2 6 D2O . . . . . . . 10 . . % . . . . 15477 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 15477 _Sample.ID 3 _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 Prod1 '[U-13C; U-15N]' . . 1 $Prod1 . . 1 . . mM . . . . 15477 3 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15477 3 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 15477 3 4 EDTA 'natural abundance' . . . . . . 1 . . mM . . . . 15477 3 5 D2O . . . . . . . 100 . . % . . . . 15477 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15477 _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' 0.2 . M 15477 1 pH 6.5 . pH 15477 1 pressure 1 . atm 15477 1 temperature 298 . K 15477 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15477 _Software.ID 1 _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' . . 15477 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15477 1 stop_ save_ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 15477 _Software.ID 2 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 15477 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 15477 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 15477 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 15477 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15477 3 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 15477 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15477 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15477 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_4 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_4 _NMR_spectrometer.Entry_ID 15477 _NMR_spectrometer.ID 4 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model UnityPlus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 15477 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 800 . . . 15477 1 2 spectrometer_2 Varian INOVA . 600 . . . 15477 1 3 spectrometer_3 Varian INOVA . 600 . . . 15477 1 4 spectrometer_4 Varian UnityPlus . 500 . . . 15477 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 15477 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15477 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15477 1 4 '3D 1H-13C NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15477 1 5 '3D 1H-13C aromatic NOESY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 4 $spectrometer_4 . . . . . . . . . . . . . . . . 15477 1 7 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 8 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 9 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 10 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 11 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 12 '3D HA(CA)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 13 '3D HN(CACO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 14 '3D HCCH-TOCSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 15 '3D HCCH-COSY' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 3 $spectrometer_3 . . . . . . . . . . . . . . . . 15477 1 16 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 15477 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15477 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15477 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 external direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' . . . . . . . . 15477 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15477 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15477 _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 $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 15477 1 2 '2D 1H-13C HSQC' . . . 15477 1 7 '3D HNCO' . . . 15477 1 11 '3D HN(CA)CO' . . . 15477 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 2 $ANSIG . . 15477 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 21 21 MET H H 1 8.231 0.02 . 1 . . . . 18 MET HN . 15477 1 2 . 1 1 21 21 MET HA H 1 4.413 0.02 . 1 . . . . 18 MET HA . 15477 1 3 . 1 1 21 21 MET HB2 H 1 1.89 0.02 . 2 . . . . 18 MET HB2 . 15477 1 4 . 1 1 21 21 MET HB3 H 1 2.01 0.02 . 2 . . . . 18 MET HB3 . 15477 1 5 . 1 1 21 21 MET HE1 H 1 2.058 0.02 . 1 . . . . 18 MET HE# . 15477 1 6 . 1 1 21 21 MET HE2 H 1 2.058 0.02 . 1 . . . . 18 MET HE# . 15477 1 7 . 1 1 21 21 MET HE3 H 1 2.058 0.02 . 1 . . . . 18 MET HE# . 15477 1 8 . 1 1 21 21 MET HG2 H 1 2.427 0.02 . 2 . . . . 18 MET HG2 . 15477 1 9 . 1 1 21 21 MET HG3 H 1 2.493 0.02 . 2 . . . . 18 MET HG3 . 15477 1 10 . 1 1 21 21 MET C C 13 175.109 0.4 . 1 . . . . 18 MET CO . 15477 1 11 . 1 1 21 21 MET CA C 13 55.026 0.4 . 1 . . . . 18 MET CA . 15477 1 12 . 1 1 21 21 MET CB C 13 33.117 0.4 . 1 . . . . 18 MET CB . 15477 1 13 . 1 1 21 21 MET CE C 13 17.072 0.4 . 1 . . . . 18 MET CE . 15477 1 14 . 1 1 21 21 MET CG C 13 31.98 0.4 . 1 . . . . 18 MET CG . 15477 1 15 . 1 1 21 21 MET N N 15 122.496 0.1 . 1 . . . . 18 MET N . 15477 1 16 . 1 1 22 22 ALA H H 1 8.052 0.02 . 1 . . . . 19 ALA HN . 15477 1 17 . 1 1 22 22 ALA HA H 1 4.191 0.02 . 1 . . . . 19 ALA HA . 15477 1 18 . 1 1 22 22 ALA HB1 H 1 1.256 0.02 . 1 . . . . 19 ALA HB# . 15477 1 19 . 1 1 22 22 ALA HB2 H 1 1.256 0.02 . 1 . . . . 19 ALA HB# . 15477 1 20 . 1 1 22 22 ALA HB3 H 1 1.256 0.02 . 1 . . . . 19 ALA HB# . 15477 1 21 . 1 1 22 22 ALA C C 13 176.151 0.4 . 1 . . . . 19 ALA CO . 15477 1 22 . 1 1 22 22 ALA CA C 13 51.96 0.4 . 1 . . . . 19 ALA CA . 15477 1 23 . 1 1 22 22 ALA CB C 13 19.784 0.4 . 1 . . . . 19 ALA CB . 15477 1 24 . 1 1 22 22 ALA N N 15 125.891 0.1 . 1 . . . . 19 ALA N . 15477 1 25 . 1 1 23 23 LEU H H 1 8.117 0.02 . 1 . . . . 20 LEU HN . 15477 1 26 . 1 1 23 23 LEU HA H 1 4.273 0.02 . 1 . . . . 20 LEU HA . 15477 1 27 . 1 1 23 23 LEU HB2 H 1 1.233 0.02 . 2 . . . . 20 LEU HB2 . 15477 1 28 . 1 1 23 23 LEU HB3 H 1 1.472 0.02 . 2 . . . . 20 LEU HB3 . 15477 1 29 . 1 1 23 23 LEU HD11 H 1 0.71 0.02 . 2 . . . . 20 LEU HD1# . 15477 1 30 . 1 1 23 23 LEU HD12 H 1 0.71 0.02 . 2 . . . . 20 LEU HD1# . 15477 1 31 . 1 1 23 23 LEU HD13 H 1 0.71 0.02 . 2 . . . . 20 LEU HD1# . 15477 1 32 . 1 1 23 23 LEU HD21 H 1 0.664 0.02 . 2 . . . . 20 LEU HD2# . 15477 1 33 . 1 1 23 23 LEU HD22 H 1 0.664 0.02 . 2 . . . . 20 LEU HD2# . 15477 1 34 . 1 1 23 23 LEU HD23 H 1 0.664 0.02 . 2 . . . . 20 LEU HD2# . 15477 1 35 . 1 1 23 23 LEU HG H 1 1.427 0.02 . 1 . . . . 20 LEU HG . 15477 1 36 . 1 1 23 23 LEU C C 13 174.307 0.4 . 1 . . . . 20 LEU CO . 15477 1 37 . 1 1 23 23 LEU CA C 13 54.838 0.4 . 1 . . . . 20 LEU CA . 15477 1 38 . 1 1 23 23 LEU CB C 13 44.574 0.4 . 1 . . . . 20 LEU CB . 15477 1 39 . 1 1 23 23 LEU CD1 C 13 21.976 0.4 . 2 . . . . 20 LEU CD1 . 15477 1 40 . 1 1 23 23 LEU CD2 C 13 26.177 0.4 . 2 . . . . 20 LEU CD2 . 15477 1 41 . 1 1 23 23 LEU CG C 13 26.468 0.4 . 1 . . . . 20 LEU CG . 15477 1 42 . 1 1 23 23 LEU N N 15 125.488 0.1 . 1 . . . . 20 LEU N . 15477 1 43 . 1 1 24 24 LYS H H 1 7.915 0.02 . 1 . . . . 21 LYS HN . 15477 1 44 . 1 1 24 24 LYS HA H 1 5.287 0.02 . 1 . . . . 21 LYS HA . 15477 1 45 . 1 1 24 24 LYS HB2 H 1 1.23 0.02 . 1 . . . . 21 LYS HB# . 15477 1 46 . 1 1 24 24 LYS HB3 H 1 1.23 0.02 . 1 . . . . 21 LYS HB# . 15477 1 47 . 1 1 24 24 LYS HD2 H 1 1.391 0.02 . 1 . . . . 21 LYS HD# . 15477 1 48 . 1 1 24 24 LYS HD3 H 1 1.391 0.02 . 1 . . . . 21 LYS HD# . 15477 1 49 . 1 1 24 24 LYS HE2 H 1 2.775 0.02 . 1 . . . . 21 LYS HE# . 15477 1 50 . 1 1 24 24 LYS HE3 H 1 2.775 0.02 . 1 . . . . 21 LYS HE# . 15477 1 51 . 1 1 24 24 LYS HG2 H 1 1.215 0.02 . 2 . . . . 21 LYS HG2 . 15477 1 52 . 1 1 24 24 LYS HG3 H 1 1.355 0.02 . 2 . . . . 21 LYS HG3 . 15477 1 53 . 1 1 24 24 LYS C C 13 175.901 0.4 . 1 . . . . 21 LYS CO . 15477 1 54 . 1 1 24 24 LYS CA C 13 54.174 0.4 . 1 . . . . 21 LYS CA . 15477 1 55 . 1 1 24 24 LYS CB C 13 34.841 0.4 . 1 . . . . 21 LYS CB . 15477 1 56 . 1 1 24 24 LYS CD C 13 29.43 0.4 . 1 . . . . 21 LYS CD . 15477 1 57 . 1 1 24 24 LYS CE C 13 41.699 0.4 . 1 . . . . 21 LYS CE . 15477 1 58 . 1 1 24 24 LYS CG C 13 24.752 0.4 . 1 . . . . 21 LYS CG . 15477 1 59 . 1 1 24 24 LYS N N 15 122.369 0.1 . 1 . . . . 21 LYS N . 15477 1 60 . 1 1 25 25 CYS H H 1 8.426 0.02 . 1 . . . . 22 CYS HN . 15477 1 61 . 1 1 25 25 CYS HA H 1 4.886 0.02 . 1 . . . . 22 CYS HA . 15477 1 62 . 1 1 25 25 CYS HB2 H 1 2.458 0.02 . 2 . . . . 22 CYS HB2 . 15477 1 63 . 1 1 25 25 CYS HB3 H 1 3.059 0.02 . 2 . . . . 22 CYS HB3 . 15477 1 64 . 1 1 25 25 CYS C C 13 175.309 0.4 . 1 . . . . 22 CYS CO . 15477 1 65 . 1 1 25 25 CYS CA C 13 51.68 0.4 . 1 . . . . 22 CYS CA . 15477 1 66 . 1 1 25 25 CYS CB C 13 41.829 0.4 . 1 . . . . 22 CYS CB . 15477 1 67 . 1 1 25 25 CYS N N 15 117.505 0.1 . 1 . . . . 22 CYS N . 15477 1 68 . 1 1 26 26 PHE H H 1 8.96 0.02 . 1 . . . . 23 PHE HN . 15477 1 69 . 1 1 26 26 PHE HA H 1 5.057 0.02 . 1 . . . . 23 PHE HA . 15477 1 70 . 1 1 26 26 PHE HB2 H 1 2.589 0.02 . 2 . . . . 23 PHE HB2 . 15477 1 71 . 1 1 26 26 PHE HB3 H 1 2.736 0.02 . 2 . . . . 23 PHE HB3 . 15477 1 72 . 1 1 26 26 PHE HD1 H 1 6.968 0.02 . 1 . . . . 23 PHE HD# . 15477 1 73 . 1 1 26 26 PHE HD2 H 1 6.968 0.02 . 1 . . . . 23 PHE HD# . 15477 1 74 . 1 1 26 26 PHE C C 13 176.694 0.4 . 1 . . . . 23 PHE CO . 15477 1 75 . 1 1 26 26 PHE CA C 13 60.302 0.4 . 1 . . . . 23 PHE CA . 15477 1 76 . 1 1 26 26 PHE CB C 13 39.49 0.4 . 1 . . . . 23 PHE CB . 15477 1 77 . 1 1 26 26 PHE CD1 C 13 131.38 0.4 . 1 . . . . 23 PHE CD# . 15477 1 78 . 1 1 26 26 PHE CD2 C 13 131.38 0.4 . 1 . . . . 23 PHE CD# . 15477 1 79 . 1 1 26 26 PHE N N 15 120.038 0.1 . 1 . . . . 23 PHE N . 15477 1 80 . 1 1 27 27 THR H H 1 9.071 0.02 . 1 . . . . 24 THR HN . 15477 1 81 . 1 1 27 27 THR HA H 1 4.96 0.02 . 1 . . . . 24 THR HA . 15477 1 82 . 1 1 27 27 THR HB H 1 4.096 0.02 . 1 . . . . 24 THR HB . 15477 1 83 . 1 1 27 27 THR HG21 H 1 1.148 0.02 . 1 . . . . 24 THR HG2# . 15477 1 84 . 1 1 27 27 THR HG22 H 1 1.148 0.02 . 1 . . . . 24 THR HG2# . 15477 1 85 . 1 1 27 27 THR HG23 H 1 1.148 0.02 . 1 . . . . 24 THR HG2# . 15477 1 86 . 1 1 27 27 THR C C 13 173.722 0.4 . 1 . . . . 24 THR CO . 15477 1 87 . 1 1 27 27 THR CA C 13 59.835 0.4 . 1 . . . . 24 THR CA . 15477 1 88 . 1 1 27 27 THR CB C 13 71.382 0.4 . 1 . . . . 24 THR CB . 15477 1 89 . 1 1 27 27 THR CG2 C 13 22.244 0.4 . 1 . . . . 24 THR CG2 . 15477 1 90 . 1 1 27 27 THR N N 15 114.266 0.1 . 1 . . . . 24 THR N . 15477 1 91 . 1 1 28 28 ARG H H 1 8.398 0.02 . 1 . . . . 25 ARG HN . 15477 1 92 . 1 1 28 28 ARG HA H 1 5.158 0.02 . 1 . . . . 25 ARG HA . 15477 1 93 . 1 1 28 28 ARG HB2 H 1 1.956 0.02 . 2 . . . . 25 ARG HB2 . 15477 1 94 . 1 1 28 28 ARG HB3 H 1 2.043 0.02 . 2 . . . . 25 ARG HB3 . 15477 1 95 . 1 1 28 28 ARG HD2 H 1 3.256 0.02 . 1 . . . . 25 ARG HD# . 15477 1 96 . 1 1 28 28 ARG HD3 H 1 3.256 0.02 . 1 . . . . 25 ARG HD# . 15477 1 97 . 1 1 28 28 ARG HG2 H 1 1.656 0.02 . 1 . . . . 25 ARG HG# . 15477 1 98 . 1 1 28 28 ARG HG3 H 1 1.656 0.02 . 1 . . . . 25 ARG HG# . 15477 1 99 . 1 1 28 28 ARG C C 13 175.547 0.4 . 1 . . . . 25 ARG CO . 15477 1 100 . 1 1 28 28 ARG CA C 13 54.586 0.4 . 1 . . . . 25 ARG CA . 15477 1 101 . 1 1 28 28 ARG CB C 13 32.443 0.4 . 1 . . . . 25 ARG CB . 15477 1 102 . 1 1 28 28 ARG CD C 13 43.312 0.4 . 1 . . . . 25 ARG CD . 15477 1 103 . 1 1 28 28 ARG CG C 13 27.652 0.4 . 1 . . . . 25 ARG CG . 15477 1 104 . 1 1 28 28 ARG N N 15 123.189 0.1 . 1 . . . . 25 ARG N . 15477 1 105 . 1 1 29 29 ASN H H 1 8.589 0.02 . 1 . . . . 26 ASN HN . 15477 1 106 . 1 1 29 29 ASN HA H 1 4.938 0.02 . 1 . . . . 26 ASN HA . 15477 1 107 . 1 1 29 29 ASN HB2 H 1 2.644 0.02 . 2 . . . . 26 ASN HB2 . 15477 1 108 . 1 1 29 29 ASN HB3 H 1 2.835 0.02 . 2 . . . . 26 ASN HB3 . 15477 1 109 . 1 1 29 29 ASN C C 13 175.273 0.4 . 1 . . . . 26 ASN CO . 15477 1 110 . 1 1 29 29 ASN CA C 13 52.276 0.4 . 1 . . . . 26 ASN CA . 15477 1 111 . 1 1 29 29 ASN CB C 13 39.66 0.4 . 1 . . . . 26 ASN CB . 15477 1 112 . 1 1 29 29 ASN N N 15 125.242 0.1 . 1 . . . . 26 ASN N . 15477 1 113 . 1 1 30 30 GLY H H 1 9.046 0.02 . 1 . . . . 27 GLY HN . 15477 1 114 . 1 1 30 30 GLY HA2 H 1 3.649 0.02 . 2 . . . . 27 GLY HA2 . 15477 1 115 . 1 1 30 30 GLY HA3 H 1 3.996 0.02 . 2 . . . . 27 GLY HA3 . 15477 1 116 . 1 1 30 30 GLY C C 13 174.707 0.4 . 1 . . . . 27 GLY CO . 15477 1 117 . 1 1 30 30 GLY CA C 13 46.906 0.4 . 1 . . . . 27 GLY CA . 15477 1 118 . 1 1 30 30 GLY N N 15 115.613 0.1 . 1 . . . . 27 GLY N . 15477 1 119 . 1 1 31 31 ASP H H 1 8.956 0.02 . 1 . . . . 28 ASP HN . 15477 1 120 . 1 1 31 31 ASP HA H 1 4.648 0.02 . 1 . . . . 28 ASP HA . 15477 1 121 . 1 1 31 31 ASP HB2 H 1 2.514 0.02 . 2 . . . . 28 ASP HB2 . 15477 1 122 . 1 1 31 31 ASP HB3 H 1 2.832 0.02 . 2 . . . . 28 ASP HB3 . 15477 1 123 . 1 1 31 31 ASP C C 13 175.67 0.4 . 1 . . . . 28 ASP CO . 15477 1 124 . 1 1 31 31 ASP CA C 13 54.939 0.4 . 1 . . . . 28 ASP CA . 15477 1 125 . 1 1 31 31 ASP CB C 13 41.505 0.4 . 1 . . . . 28 ASP CB . 15477 1 126 . 1 1 31 31 ASP N N 15 126.791 0.1 . 1 . . . . 28 ASP N . 15477 1 127 . 1 1 32 32 ASP H H 1 7.973 0.02 . 1 . . . . 29 ASP HN . 15477 1 128 . 1 1 32 32 ASP HA H 1 4.778 0.02 . 1 . . . . 29 ASP HA . 15477 1 129 . 1 1 32 32 ASP HB2 H 1 2.701 0.02 . 2 . . . . 29 ASP HB2 . 15477 1 130 . 1 1 32 32 ASP HB3 H 1 2.756 0.02 . 2 . . . . 29 ASP HB3 . 15477 1 131 . 1 1 32 32 ASP C C 13 174.871 0.4 . 1 . . . . 29 ASP CO . 15477 1 132 . 1 1 32 32 ASP CA C 13 54.192 0.4 . 1 . . . . 29 ASP CA . 15477 1 133 . 1 1 32 32 ASP CB C 13 42.663 0.4 . 1 . . . . 29 ASP CB . 15477 1 134 . 1 1 32 32 ASP N N 15 120.24 0.1 . 1 . . . . 29 ASP N . 15477 1 135 . 1 1 33 33 ARG H H 1 8.682 0.02 . 1 . . . . 30 ARG HN . 15477 1 136 . 1 1 33 33 ARG HA H 1 5.02 0.02 . 1 . . . . 30 ARG HA . 15477 1 137 . 1 1 33 33 ARG HB2 H 1 1.626 0.02 . 2 . . . . 30 ARG HB2 . 15477 1 138 . 1 1 33 33 ARG HB3 H 1 1.815 0.02 . 2 . . . . 30 ARG HB3 . 15477 1 139 . 1 1 33 33 ARG HD2 H 1 2.719 0.02 . 2 . . . . 30 ARG HD2 . 15477 1 140 . 1 1 33 33 ARG HD3 H 1 2.934 0.02 . 2 . . . . 30 ARG HD3 . 15477 1 141 . 1 1 33 33 ARG HG2 H 1 1.52 0.02 . 2 . . . . 30 ARG HG2 . 15477 1 142 . 1 1 33 33 ARG HG3 H 1 1.589 0.02 . 2 . . . . 30 ARG HG3 . 15477 1 143 . 1 1 33 33 ARG C C 13 175.569 0.4 . 1 . . . . 30 ARG CO . 15477 1 144 . 1 1 33 33 ARG CA C 13 55.487 0.4 . 1 . . . . 30 ARG CA . 15477 1 145 . 1 1 33 33 ARG CB C 13 31.962 0.4 . 1 . . . . 30 ARG CB . 15477 1 146 . 1 1 33 33 ARG CD C 13 43.533 0.4 . 1 . . . . 30 ARG CD . 15477 1 147 . 1 1 33 33 ARG CG C 13 27.336 0.4 . 1 . . . . 30 ARG CG . 15477 1 148 . 1 1 33 33 ARG N N 15 125.183 0.1 . 1 . . . . 30 ARG N . 15477 1 149 . 1 1 34 34 THR H H 1 8.976 0.02 . 1 . . . . 31 THR HN . 15477 1 150 . 1 1 34 34 THR HA H 1 4.764 0.02 . 1 . . . . 31 THR HA . 15477 1 151 . 1 1 34 34 THR HB H 1 4.082 0.02 . 1 . . . . 31 THR HB . 15477 1 152 . 1 1 34 34 THR HG21 H 1 1.085 0.02 . 1 . . . . 31 THR HG2# . 15477 1 153 . 1 1 34 34 THR HG22 H 1 1.085 0.02 . 1 . . . . 31 THR HG2# . 15477 1 154 . 1 1 34 34 THR HG23 H 1 1.085 0.02 . 1 . . . . 31 THR HG2# . 15477 1 155 . 1 1 34 34 THR C C 13 172.745 0.4 . 1 . . . . 31 THR CO . 15477 1 156 . 1 1 34 34 THR CA C 13 59.891 0.4 . 1 . . . . 31 THR CA . 15477 1 157 . 1 1 34 34 THR CB C 13 71.522 0.4 . 1 . . . . 31 THR CB . 15477 1 158 . 1 1 34 34 THR CG2 C 13 20.988 0.4 . 1 . . . . 31 THR CG2 . 15477 1 159 . 1 1 34 34 THR N N 15 120.162 0.1 . 1 . . . . 31 THR N . 15477 1 160 . 1 1 35 35 VAL H H 1 8.286 0.02 . 1 . . . . 32 VAL HN . 15477 1 161 . 1 1 35 35 VAL HA H 1 4.11 0.02 . 1 . . . . 32 VAL HA . 15477 1 162 . 1 1 35 35 VAL HB H 1 1.789 0.02 . 1 . . . . 32 VAL HB . 15477 1 163 . 1 1 35 35 VAL HG11 H 1 0.601 0.02 . 2 . . . . 32 VAL HG1# . 15477 1 164 . 1 1 35 35 VAL HG12 H 1 0.601 0.02 . 2 . . . . 32 VAL HG1# . 15477 1 165 . 1 1 35 35 VAL HG13 H 1 0.601 0.02 . 2 . . . . 32 VAL HG1# . 15477 1 166 . 1 1 35 35 VAL HG21 H 1 0.733 0.02 . 2 . . . . 32 VAL HG2# . 15477 1 167 . 1 1 35 35 VAL HG22 H 1 0.733 0.02 . 2 . . . . 32 VAL HG2# . 15477 1 168 . 1 1 35 35 VAL HG23 H 1 0.733 0.02 . 2 . . . . 32 VAL HG2# . 15477 1 169 . 1 1 35 35 VAL C C 13 175.72 0.4 . 1 . . . . 32 VAL CO . 15477 1 170 . 1 1 35 35 VAL CA C 13 62.838 0.4 . 1 . . . . 32 VAL CA . 15477 1 171 . 1 1 35 35 VAL CB C 13 32.883 0.4 . 1 . . . . 32 VAL CB . 15477 1 172 . 1 1 35 35 VAL CG1 C 13 21.765 0.4 . 2 . . . . 32 VAL CG1 . 15477 1 173 . 1 1 35 35 VAL CG2 C 13 21.903 0.4 . 2 . . . . 32 VAL CG2 . 15477 1 174 . 1 1 35 35 VAL N N 15 122.209 0.1 . 1 . . . . 32 VAL N . 15477 1 175 . 1 1 36 36 THR H H 1 8.749 0.02 . 1 . . . . 33 THR HN . 15477 1 176 . 1 1 36 36 THR HA H 1 4.486 0.02 . 1 . . . . 33 THR HA . 15477 1 177 . 1 1 36 36 THR HB H 1 3.795 0.02 . 1 . . . . 33 THR HB . 15477 1 178 . 1 1 36 36 THR HG21 H 1 1.075 0.02 . 1 . . . . 33 THR HG2# . 15477 1 179 . 1 1 36 36 THR HG22 H 1 1.075 0.02 . 1 . . . . 33 THR HG2# . 15477 1 180 . 1 1 36 36 THR HG23 H 1 1.075 0.02 . 1 . . . . 33 THR HG2# . 15477 1 181 . 1 1 36 36 THR C C 13 173.029 0.4 . 1 . . . . 33 THR CO . 15477 1 182 . 1 1 36 36 THR CA C 13 61.029 0.4 . 1 . . . . 33 THR CA . 15477 1 183 . 1 1 36 36 THR CB C 13 71.425 0.4 . 1 . . . . 33 THR CB . 15477 1 184 . 1 1 36 36 THR CG2 C 13 21.607 0.4 . 1 . . . . 33 THR CG2 . 15477 1 185 . 1 1 36 36 THR N N 15 125.259 0.1 . 1 . . . . 33 THR N . 15477 1 186 . 1 1 37 37 THR H H 1 8.544 0.02 . 1 . . . . 34 THR HN . 15477 1 187 . 1 1 37 37 THR HA H 1 4.371 0.02 . 1 . . . . 34 THR HA . 15477 1 188 . 1 1 37 37 THR HB H 1 3.991 0.02 . 1 . . . . 34 THR HB . 15477 1 189 . 1 1 37 37 THR HG21 H 1 1.148 0.02 . 1 . . . . 34 THR HG2# . 15477 1 190 . 1 1 37 37 THR HG22 H 1 1.148 0.02 . 1 . . . . 34 THR HG2# . 15477 1 191 . 1 1 37 37 THR HG23 H 1 1.148 0.02 . 1 . . . . 34 THR HG2# . 15477 1 192 . 1 1 37 37 THR C C 13 173.839 0.4 . 1 . . . . 34 THR CO . 15477 1 193 . 1 1 37 37 THR CA C 13 62.892 0.4 . 1 . . . . 34 THR CA . 15477 1 194 . 1 1 37 37 THR CB C 13 68.156 0.4 . 1 . . . . 34 THR CB . 15477 1 195 . 1 1 37 37 THR CG2 C 13 22.182 0.4 . 1 . . . . 34 THR CG2 . 15477 1 196 . 1 1 37 37 THR N N 15 122.774 0.1 . 1 . . . . 34 THR N . 15477 1 197 . 1 1 38 38 CYS H H 1 9.227 0.02 . 1 . . . . 35 CYS HN . 15477 1 198 . 1 1 38 38 CYS HA H 1 4.516 0.02 . 1 . . . . 35 CYS HA . 15477 1 199 . 1 1 38 38 CYS HB2 H 1 2.836 0.02 . 2 . . . . 35 CYS HB2 . 15477 1 200 . 1 1 38 38 CYS HB3 H 1 3.807 0.02 . 2 . . . . 35 CYS HB3 . 15477 1 201 . 1 1 38 38 CYS C C 13 174.923 0.4 . 1 . . . . 35 CYS CO . 15477 1 202 . 1 1 38 38 CYS CA C 13 52.962 0.4 . 1 . . . . 35 CYS CA . 15477 1 203 . 1 1 38 38 CYS CB C 13 37.439 0.4 . 1 . . . . 35 CYS CB . 15477 1 204 . 1 1 38 38 CYS N N 15 129.056 0.1 . 1 . . . . 35 CYS N . 15477 1 205 . 1 1 39 39 ALA H H 1 8.113 0.02 . 1 . . . . 36 ALA HN . 15477 1 206 . 1 1 39 39 ALA HA H 1 4.313 0.02 . 1 . . . . 36 ALA HA . 15477 1 207 . 1 1 39 39 ALA HB1 H 1 1.388 0.02 . 1 . . . . 36 ALA HB# . 15477 1 208 . 1 1 39 39 ALA HB2 H 1 1.388 0.02 . 1 . . . . 36 ALA HB# . 15477 1 209 . 1 1 39 39 ALA HB3 H 1 1.388 0.02 . 1 . . . . 36 ALA HB# . 15477 1 210 . 1 1 39 39 ALA C C 13 178.809 0.4 . 1 . . . . 36 ALA CO . 15477 1 211 . 1 1 39 39 ALA CA C 13 52.125 0.4 . 1 . . . . 36 ALA CA . 15477 1 212 . 1 1 39 39 ALA CB C 13 19.235 0.4 . 1 . . . . 36 ALA CB . 15477 1 213 . 1 1 39 39 ALA N N 15 122.621 0.1 . 1 . . . . 36 ALA N . 15477 1 214 . 1 1 40 40 GLU H H 1 8.701 0.02 . 1 . . . . 37 GLU HN . 15477 1 215 . 1 1 40 40 GLU HA H 1 3.826 0.02 . 1 . . . . 37 GLU HA . 15477 1 216 . 1 1 40 40 GLU HB2 H 1 1.927 0.02 . 2 . . . . 37 GLU HB2 . 15477 1 217 . 1 1 40 40 GLU HB3 H 1 2.029 0.02 . 2 . . . . 37 GLU HB3 . 15477 1 218 . 1 1 40 40 GLU HG2 H 1 2.229 0.02 . 1 . . . . 37 GLU HG# . 15477 1 219 . 1 1 40 40 GLU HG3 H 1 2.229 0.02 . 1 . . . . 37 GLU HG# . 15477 1 220 . 1 1 40 40 GLU C C 13 177.999 0.4 . 1 . . . . 37 GLU CO . 15477 1 221 . 1 1 40 40 GLU CA C 13 60.104 0.4 . 1 . . . . 37 GLU CA . 15477 1 222 . 1 1 40 40 GLU CB C 13 29.712 0.4 . 1 . . . . 37 GLU CB . 15477 1 223 . 1 1 40 40 GLU CG C 13 36.374 0.4 . 1 . . . . 37 GLU CG . 15477 1 224 . 1 1 40 40 GLU N N 15 120.905 0.1 . 1 . . . . 37 GLU N . 15477 1 225 . 1 1 41 41 GLU H H 1 8.87 0.02 . 1 . . . . 38 GLU HN . 15477 1 226 . 1 1 41 41 GLU HA H 1 4.233 0.02 . 1 . . . . 38 GLU HA . 15477 1 227 . 1 1 41 41 GLU HB2 H 1 2.064 0.02 . 2 . . . . 38 GLU HB2 . 15477 1 228 . 1 1 41 41 GLU HB3 H 1 2.117 0.02 . 2 . . . . 38 GLU HB3 . 15477 1 229 . 1 1 41 41 GLU HG2 H 1 2.242 0.02 . 1 . . . . 38 GLU HG# . 15477 1 230 . 1 1 41 41 GLU HG3 H 1 2.242 0.02 . 1 . . . . 38 GLU HG# . 15477 1 231 . 1 1 41 41 GLU C C 13 176.79 0.4 . 1 . . . . 38 GLU CO . 15477 1 232 . 1 1 41 41 GLU CA C 13 57.438 0.4 . 1 . . . . 38 GLU CA . 15477 1 233 . 1 1 41 41 GLU CB C 13 28.813 0.4 . 1 . . . . 38 GLU CB . 15477 1 234 . 1 1 41 41 GLU CG C 13 36.386 0.4 . 1 . . . . 38 GLU CG . 15477 1 235 . 1 1 41 41 GLU N N 15 113.838 0.1 . 1 . . . . 38 GLU N . 15477 1 236 . 1 1 42 42 GLN H H 1 7.935 0.02 . 1 . . . . 39 GLN HN . 15477 1 237 . 1 1 42 42 GLN HA H 1 4.069 0.02 . 1 . . . . 39 GLN HA . 15477 1 238 . 1 1 42 42 GLN HB2 H 1 1.598 0.02 . 2 . . . . 39 GLN HB2 . 15477 1 239 . 1 1 42 42 GLN HB3 H 1 2.749 0.02 . 2 . . . . 39 GLN HB3 . 15477 1 240 . 1 1 42 42 GLN HG2 H 1 2 0.02 . 2 . . . . 39 GLN HG2 . 15477 1 241 . 1 1 42 42 GLN HG3 H 1 2.237 0.02 . 2 . . . . 39 GLN HG3 . 15477 1 242 . 1 1 42 42 GLN C C 13 174.033 0.4 . 1 . . . . 39 GLN CO . 15477 1 243 . 1 1 42 42 GLN CA C 13 55.177 0.4 . 1 . . . . 39 GLN CA . 15477 1 244 . 1 1 42 42 GLN CB C 13 28.144 0.4 . 1 . . . . 39 GLN CB . 15477 1 245 . 1 1 42 42 GLN CG C 13 33.44 0.4 . 1 . . . . 39 GLN CG . 15477 1 246 . 1 1 42 42 GLN N N 15 120.919 0.1 . 1 . . . . 39 GLN N . 15477 1 247 . 1 1 43 43 THR H H 1 6.846 0.02 . 1 . . . . 40 THR HN . 15477 1 248 . 1 1 43 43 THR HA H 1 4.34 0.02 . 1 . . . . 40 THR HA . 15477 1 249 . 1 1 43 43 THR HB H 1 4.581 0.02 . 1 . . . . 40 THR HB . 15477 1 250 . 1 1 43 43 THR HG21 H 1 1.148 0.02 . 1 . . . . 40 THR HG2# . 15477 1 251 . 1 1 43 43 THR HG22 H 1 1.148 0.02 . 1 . . . . 40 THR HG2# . 15477 1 252 . 1 1 43 43 THR HG23 H 1 1.148 0.02 . 1 . . . . 40 THR HG2# . 15477 1 253 . 1 1 43 43 THR C C 13 175.221 0.4 . 1 . . . . 40 THR CO . 15477 1 254 . 1 1 43 43 THR CA C 13 60.677 0.4 . 1 . . . . 40 THR CA . 15477 1 255 . 1 1 43 43 THR CB C 13 68.516 0.4 . 1 . . . . 40 THR CB . 15477 1 256 . 1 1 43 43 THR CG2 C 13 21.842 0.4 . 1 . . . . 40 THR CG2 . 15477 1 257 . 1 1 43 43 THR N N 15 109.859 0.1 . 1 . . . . 40 THR N . 15477 1 258 . 1 1 44 44 ARG H H 1 8.496 0.02 . 1 . . . . 41 ARG HN . 15477 1 259 . 1 1 44 44 ARG HA H 1 5.001 0.02 . 1 . . . . 41 ARG HA . 15477 1 260 . 1 1 44 44 ARG HB2 H 1 1.46 0.02 . 2 . . . . 41 ARG HB2 . 15477 1 261 . 1 1 44 44 ARG HB3 H 1 1.72 0.02 . 2 . . . . 41 ARG HB3 . 15477 1 262 . 1 1 44 44 ARG HD2 H 1 2.584 0.02 . 2 . . . . 41 ARG HD2 . 15477 1 263 . 1 1 44 44 ARG HD3 H 1 3.504 0.02 . 2 . . . . 41 ARG HD3 . 15477 1 264 . 1 1 44 44 ARG HG2 H 1 1.496 0.02 . 2 . . . . 41 ARG HG2 . 15477 1 265 . 1 1 44 44 ARG HG3 H 1 1.582 0.02 . 2 . . . . 41 ARG HG3 . 15477 1 266 . 1 1 44 44 ARG C C 13 174.082 0.4 . 1 . . . . 41 ARG CO . 15477 1 267 . 1 1 44 44 ARG CA C 13 52.838 0.4 . 1 . . . . 41 ARG CA . 15477 1 268 . 1 1 44 44 ARG CB C 13 34.466 0.4 . 1 . . . . 41 ARG CB . 15477 1 269 . 1 1 44 44 ARG CD C 13 43.473 0.4 . 1 . . . . 41 ARG CD . 15477 1 270 . 1 1 44 44 ARG CG C 13 27.34 0.4 . 1 . . . . 41 ARG CG . 15477 1 271 . 1 1 44 44 ARG N N 15 122 0.1 . 1 . . . . 41 ARG N . 15477 1 272 . 1 1 45 45 CYS H H 1 8.814 0.02 . 1 . . . . 42 CYS HN . 15477 1 273 . 1 1 45 45 CYS HA H 1 5.566 0.02 . 1 . . . . 42 CYS HA . 15477 1 274 . 1 1 45 45 CYS HB2 H 1 2.949 0.02 . 2 . . . . 42 CYS HB2 . 15477 1 275 . 1 1 45 45 CYS HB3 H 1 3.021 0.02 . 2 . . . . 42 CYS HB3 . 15477 1 276 . 1 1 45 45 CYS C C 13 173.806 0.4 . 1 . . . . 42 CYS CO . 15477 1 277 . 1 1 45 45 CYS CA C 13 51.956 0.4 . 1 . . . . 42 CYS CA . 15477 1 278 . 1 1 45 45 CYS CB C 13 38.526 0.4 . 1 . . . . 42 CYS CB . 15477 1 279 . 1 1 45 45 CYS N N 15 115.378 0.1 . 1 . . . . 42 CYS N . 15477 1 280 . 1 1 46 46 LEU H H 1 9.234 0.02 . 1 . . . . 43 LEU HN . 15477 1 281 . 1 1 46 46 LEU HA H 1 5.382 0.02 . 1 . . . . 43 LEU HA . 15477 1 282 . 1 1 46 46 LEU HB2 H 1 1.66 0.02 . 1 . . . . 43 LEU HB# . 15477 1 283 . 1 1 46 46 LEU HB3 H 1 1.66 0.02 . 1 . . . . 43 LEU HB# . 15477 1 284 . 1 1 46 46 LEU HD11 H 1 0.844 0.02 . 2 . . . . 43 LEU HD1# . 15477 1 285 . 1 1 46 46 LEU HD12 H 1 0.844 0.02 . 2 . . . . 43 LEU HD1# . 15477 1 286 . 1 1 46 46 LEU HD13 H 1 0.844 0.02 . 2 . . . . 43 LEU HD1# . 15477 1 287 . 1 1 46 46 LEU HD21 H 1 0.964 0.02 . 2 . . . . 43 LEU HD2# . 15477 1 288 . 1 1 46 46 LEU HD22 H 1 0.964 0.02 . 2 . . . . 43 LEU HD2# . 15477 1 289 . 1 1 46 46 LEU HD23 H 1 0.964 0.02 . 2 . . . . 43 LEU HD2# . 15477 1 290 . 1 1 46 46 LEU HG H 1 1.291 0.02 . 1 . . . . 43 LEU HG . 15477 1 291 . 1 1 46 46 LEU C C 13 176.639 0.4 . 1 . . . . 43 LEU CO . 15477 1 292 . 1 1 46 46 LEU CA C 13 53.739 0.4 . 1 . . . . 43 LEU CA . 15477 1 293 . 1 1 46 46 LEU CB C 13 46.024 0.4 . 1 . . . . 43 LEU CB . 15477 1 294 . 1 1 46 46 LEU CD1 C 13 28.548 0.4 . 2 . . . . 43 LEU CD1 . 15477 1 295 . 1 1 46 46 LEU CD2 C 13 21.939 0.4 . 2 . . . . 43 LEU CD2 . 15477 1 296 . 1 1 46 46 LEU CG C 13 28.268 0.4 . 1 . . . . 43 LEU CG . 15477 1 297 . 1 1 46 46 LEU N N 15 122.94 0.1 . 1 . . . . 43 LEU N . 15477 1 298 . 1 1 47 47 PHE H H 1 9.048 0.02 . 1 . . . . 44 PHE HN . 15477 1 299 . 1 1 47 47 PHE HA H 1 5.7 0.02 . 1 . . . . 44 PHE HA . 15477 1 300 . 1 1 47 47 PHE HB2 H 1 2.73 0.02 . 1 . . . . 44 PHE HB# . 15477 1 301 . 1 1 47 47 PHE HB3 H 1 2.73 0.02 . 1 . . . . 44 PHE HB# . 15477 1 302 . 1 1 47 47 PHE HD1 H 1 6.968 0.02 . 1 . . . . 44 PHE HD# . 15477 1 303 . 1 1 47 47 PHE HD2 H 1 6.968 0.02 . 1 . . . . 44 PHE HD# . 15477 1 304 . 1 1 47 47 PHE HE1 H 1 7.127 0.02 . 1 . . . . 44 PHE HE# . 15477 1 305 . 1 1 47 47 PHE HE2 H 1 7.127 0.02 . 1 . . . . 44 PHE HE# . 15477 1 306 . 1 1 47 47 PHE C C 13 173.708 0.4 . 1 . . . . 44 PHE CO . 15477 1 307 . 1 1 47 47 PHE CA C 13 56.494 0.4 . 1 . . . . 44 PHE CA . 15477 1 308 . 1 1 47 47 PHE CB C 13 44.246 0.4 . 1 . . . . 44 PHE CB . 15477 1 309 . 1 1 47 47 PHE CD1 C 13 131.38 0.4 . 1 . . . . 44 PHE CD# . 15477 1 310 . 1 1 47 47 PHE CD2 C 13 131.38 0.4 . 1 . . . . 44 PHE CD# . 15477 1 311 . 1 1 47 47 PHE CE1 C 13 131.51 0.4 . 1 . . . . 44 PHE CE# . 15477 1 312 . 1 1 47 47 PHE CE2 C 13 131.51 0.4 . 1 . . . . 44 PHE CE# . 15477 1 313 . 1 1 47 47 PHE N N 15 128.522 0.1 . 1 . . . . 44 PHE N . 15477 1 314 . 1 1 48 48 VAL H H 1 8.086 0.02 . 1 . . . . 45 VAL HN . 15477 1 315 . 1 1 48 48 VAL HA H 1 4.234 0.02 . 1 . . . . 45 VAL HA . 15477 1 316 . 1 1 48 48 VAL HB H 1 1.678 0.02 . 1 . . . . 45 VAL HB . 15477 1 317 . 1 1 48 48 VAL HG11 H 1 0.764 0.02 . 2 . . . . 45 VAL HG1# . 15477 1 318 . 1 1 48 48 VAL HG12 H 1 0.764 0.02 . 2 . . . . 45 VAL HG1# . 15477 1 319 . 1 1 48 48 VAL HG13 H 1 0.764 0.02 . 2 . . . . 45 VAL HG1# . 15477 1 320 . 1 1 48 48 VAL HG21 H 1 0.82 0.02 . 2 . . . . 45 VAL HG2# . 15477 1 321 . 1 1 48 48 VAL HG22 H 1 0.82 0.02 . 2 . . . . 45 VAL HG2# . 15477 1 322 . 1 1 48 48 VAL HG23 H 1 0.82 0.02 . 2 . . . . 45 VAL HG2# . 15477 1 323 . 1 1 48 48 VAL C C 13 173.728 0.4 . 1 . . . . 45 VAL CO . 15477 1 324 . 1 1 48 48 VAL CA C 13 61.11 0.4 . 1 . . . . 45 VAL CA . 15477 1 325 . 1 1 48 48 VAL CB C 13 36.121 0.4 . 1 . . . . 45 VAL CB . 15477 1 326 . 1 1 48 48 VAL CG1 C 13 21.955 0.4 . 2 . . . . 45 VAL CG1 . 15477 1 327 . 1 1 48 48 VAL CG2 C 13 20.912 0.4 . 2 . . . . 45 VAL CG2 . 15477 1 328 . 1 1 48 48 VAL N N 15 124.455 0.1 . 1 . . . . 45 VAL N . 15477 1 329 . 1 1 49 49 GLN H H 1 8.391 0.02 . 1 . . . . 46 GLN HN . 15477 1 330 . 1 1 49 49 GLN HA H 1 4.155 0.02 . 1 . . . . 46 GLN HA . 15477 1 331 . 1 1 49 49 GLN HB2 H 1 2.121 0.02 . 1 . . . . 46 GLN HB# . 15477 1 332 . 1 1 49 49 GLN HB3 H 1 2.121 0.02 . 1 . . . . 46 GLN HB# . 15477 1 333 . 1 1 49 49 GLN HG2 H 1 2.091 0.02 . 2 . . . . 46 GLN HG2 . 15477 1 334 . 1 1 49 49 GLN HG3 H 1 2.159 0.02 . 2 . . . . 46 GLN HG3 . 15477 1 335 . 1 1 49 49 GLN C C 13 174.214 0.4 . 1 . . . . 46 GLN CO . 15477 1 336 . 1 1 49 49 GLN CA C 13 54.491 0.4 . 1 . . . . 46 GLN CA . 15477 1 337 . 1 1 49 49 GLN CB C 13 29.986 0.4 . 1 . . . . 46 GLN CB . 15477 1 338 . 1 1 49 49 GLN CG C 13 34.396 0.4 . 1 . . . . 46 GLN CG . 15477 1 339 . 1 1 49 49 GLN N N 15 126.537 0.1 . 1 . . . . 46 GLN N . 15477 1 340 . 1 1 50 50 LEU H H 1 7.646 0.02 . 1 . . . . 47 LEU HN . 15477 1 341 . 1 1 50 50 LEU HA H 1 3.856 0.02 . 1 . . . . 47 LEU HA . 15477 1 342 . 1 1 50 50 LEU HB2 H 1 1.244 0.02 . 1 . . . . 47 LEU HB# . 15477 1 343 . 1 1 50 50 LEU HB3 H 1 1.244 0.02 . 1 . . . . 47 LEU HB# . 15477 1 344 . 1 1 50 50 LEU HD11 H 1 0.446 0.02 . 2 . . . . 47 LEU HD1# . 15477 1 345 . 1 1 50 50 LEU HD12 H 1 0.446 0.02 . 2 . . . . 47 LEU HD1# . 15477 1 346 . 1 1 50 50 LEU HD13 H 1 0.446 0.02 . 2 . . . . 47 LEU HD1# . 15477 1 347 . 1 1 50 50 LEU HD21 H 1 0.552 0.02 . 2 . . . . 47 LEU HD2# . 15477 1 348 . 1 1 50 50 LEU HD22 H 1 0.552 0.02 . 2 . . . . 47 LEU HD2# . 15477 1 349 . 1 1 50 50 LEU HD23 H 1 0.552 0.02 . 2 . . . . 47 LEU HD2# . 15477 1 350 . 1 1 50 50 LEU HG H 1 1.046 0.02 . 1 . . . . 47 LEU HG . 15477 1 351 . 1 1 50 50 LEU C C 13 175.649 0.4 . 1 . . . . 47 LEU CO . 15477 1 352 . 1 1 50 50 LEU CA C 13 53.706 0.4 . 1 . . . . 47 LEU CA . 15477 1 353 . 1 1 50 50 LEU CB C 13 39.821 0.4 . 1 . . . . 47 LEU CB . 15477 1 354 . 1 1 50 50 LEU CD1 C 13 23.903 0.4 . 2 . . . . 47 LEU CD1 . 15477 1 355 . 1 1 50 50 LEU CD2 C 13 25.27 0.4 . 2 . . . . 47 LEU CD2 . 15477 1 356 . 1 1 50 50 LEU CG C 13 28.013 0.4 . 1 . . . . 47 LEU CG . 15477 1 357 . 1 1 50 50 LEU N N 15 127.637 0.1 . 1 . . . . 47 LEU N . 15477 1 358 . 1 1 51 51 PRO HA H 1 3.921 0.02 . 1 . . . . 48 PRO HA . 15477 1 359 . 1 1 51 51 PRO HB2 H 1 1.35 0.02 . 2 . . . . 48 PRO HB2 . 15477 1 360 . 1 1 51 51 PRO HB3 H 1 2.013 0.02 . 2 . . . . 48 PRO HB3 . 15477 1 361 . 1 1 51 51 PRO HD2 H 1 2.982 0.02 . 2 . . . . 48 PRO HD2 . 15477 1 362 . 1 1 51 51 PRO HD3 H 1 3.318 0.02 . 2 . . . . 48 PRO HD3 . 15477 1 363 . 1 1 51 51 PRO HG2 H 1 1.846 0.02 . 2 . . . . 48 PRO HG2 . 15477 1 364 . 1 1 51 51 PRO HG3 H 1 2.056 0.02 . 2 . . . . 48 PRO HG3 . 15477 1 365 . 1 1 51 51 PRO C C 13 177.492 0.4 . 1 . . . . 48 PRO CO . 15477 1 366 . 1 1 51 51 PRO CA C 13 65.923 0.4 . 1 . . . . 48 PRO CA . 15477 1 367 . 1 1 51 51 PRO CB C 13 31.509 0.4 . 1 . . . . 48 PRO CB . 15477 1 368 . 1 1 51 51 PRO CD C 13 49.964 0.4 . 1 . . . . 48 PRO CD . 15477 1 369 . 1 1 51 51 PRO CG C 13 28.17 0.4 . 1 . . . . 48 PRO CG . 15477 1 370 . 1 1 52 52 TYR H H 1 7.517 0.02 . 1 . . . . 49 TYR HN . 15477 1 371 . 1 1 52 52 TYR HA H 1 4.79 0.02 . 1 . . . . 49 TYR HA . 15477 1 372 . 1 1 52 52 TYR HB2 H 1 2.781 0.02 . 2 . . . . 49 TYR HB2 . 15477 1 373 . 1 1 52 52 TYR HB3 H 1 3.221 0.02 . 2 . . . . 49 TYR HB3 . 15477 1 374 . 1 1 52 52 TYR HD1 H 1 7.051 0.02 . 1 . . . . 49 TYR HD# . 15477 1 375 . 1 1 52 52 TYR HD2 H 1 7.051 0.02 . 1 . . . . 49 TYR HD# . 15477 1 376 . 1 1 52 52 TYR HE1 H 1 6.781 0.02 . 1 . . . . 49 TYR HE# . 15477 1 377 . 1 1 52 52 TYR HE2 H 1 6.781 0.02 . 1 . . . . 49 TYR HE# . 15477 1 378 . 1 1 52 52 TYR C C 13 175.214 0.4 . 1 . . . . 49 TYR CO . 15477 1 379 . 1 1 52 52 TYR CA C 13 55.767 0.4 . 1 . . . . 49 TYR CA . 15477 1 380 . 1 1 52 52 TYR CB C 13 39.277 0.4 . 1 . . . . 49 TYR CB . 15477 1 381 . 1 1 52 52 TYR CD1 C 13 133.79 0.4 . 1 . . . . 49 TYR CD# . 15477 1 382 . 1 1 52 52 TYR CD2 C 13 133.79 0.4 . 1 . . . . 49 TYR CD# . 15477 1 383 . 1 1 52 52 TYR CE1 C 13 118.21 0.4 . 1 . . . . 49 TYR CE# . 15477 1 384 . 1 1 52 52 TYR CE2 C 13 118.21 0.4 . 1 . . . . 49 TYR CE# . 15477 1 385 . 1 1 52 52 TYR N N 15 109.643 0.1 . 1 . . . . 49 TYR N . 15477 1 386 . 1 1 53 53 SER H H 1 6.986 0.02 . 1 . . . . 50 SER HN . 15477 1 387 . 1 1 53 53 SER HA H 1 4.409 0.02 . 1 . . . . 50 SER HA . 15477 1 388 . 1 1 53 53 SER HB2 H 1 3.629 0.02 . 2 . . . . 50 SER HB2 . 15477 1 389 . 1 1 53 53 SER HB3 H 1 3.858 0.02 . 2 . . . . 50 SER HB3 . 15477 1 390 . 1 1 53 53 SER C C 13 171.925 0.4 . 1 . . . . 50 SER CO . 15477 1 391 . 1 1 53 53 SER CA C 13 57.189 0.4 . 1 . . . . 50 SER CA . 15477 1 392 . 1 1 53 53 SER CB C 13 63.786 0.4 . 1 . . . . 50 SER CB . 15477 1 393 . 1 1 53 53 SER N N 15 112.994 0.1 . 1 . . . . 50 SER N . 15477 1 394 . 1 1 54 54 GLU H H 1 7.89 0.02 . 1 . . . . 51 GLU HN . 15477 1 395 . 1 1 54 54 GLU HA H 1 4.903 0.02 . 1 . . . . 51 GLU HA . 15477 1 396 . 1 1 54 54 GLU HB2 H 1 1.746 0.02 . 1 . . . . 51 GLU HB# . 15477 1 397 . 1 1 54 54 GLU HB3 H 1 1.746 0.02 . 1 . . . . 51 GLU HB# . 15477 1 398 . 1 1 54 54 GLU HG2 H 1 2.158 0.02 . 1 . . . . 51 GLU HG# . 15477 1 399 . 1 1 54 54 GLU HG3 H 1 2.158 0.02 . 1 . . . . 51 GLU HG# . 15477 1 400 . 1 1 54 54 GLU C C 13 175.536 0.4 . 1 . . . . 51 GLU CO . 15477 1 401 . 1 1 54 54 GLU CA C 13 54.722 0.4 . 1 . . . . 51 GLU CA . 15477 1 402 . 1 1 54 54 GLU CB C 13 33.225 0.4 . 1 . . . . 51 GLU CB . 15477 1 403 . 1 1 54 54 GLU CG C 13 36.553 0.4 . 1 . . . . 51 GLU CG . 15477 1 404 . 1 1 54 54 GLU N N 15 115.33 0.1 . 1 . . . . 51 GLU N . 15477 1 405 . 1 1 55 55 ILE H H 1 8.6 0.02 . 1 . . . . 52 ILE HN . 15477 1 406 . 1 1 55 55 ILE HA H 1 4.302 0.02 . 1 . . . . 52 ILE HA . 15477 1 407 . 1 1 55 55 ILE HB H 1 1.447 0.02 . 1 . . . . 52 ILE HB . 15477 1 408 . 1 1 55 55 ILE HD11 H 1 0.717 0.02 . 1 . . . . 52 ILE HD1# . 15477 1 409 . 1 1 55 55 ILE HD12 H 1 0.717 0.02 . 1 . . . . 52 ILE HD1# . 15477 1 410 . 1 1 55 55 ILE HD13 H 1 0.717 0.02 . 1 . . . . 52 ILE HD1# . 15477 1 411 . 1 1 55 55 ILE HG12 H 1 0.997 0.02 . 2 . . . . 52 ILE HG12 . 15477 1 412 . 1 1 55 55 ILE HG13 H 1 1.32 0.02 . 2 . . . . 52 ILE HG13 . 15477 1 413 . 1 1 55 55 ILE HG21 H 1 0.824 0.02 . 1 . . . . 52 ILE HG2# . 15477 1 414 . 1 1 55 55 ILE HG22 H 1 0.824 0.02 . 1 . . . . 52 ILE HG2# . 15477 1 415 . 1 1 55 55 ILE HG23 H 1 0.824 0.02 . 1 . . . . 52 ILE HG2# . 15477 1 416 . 1 1 55 55 ILE C C 13 175.783 0.4 . 1 . . . . 52 ILE CO . 15477 1 417 . 1 1 55 55 ILE CA C 13 60.36 0.4 . 1 . . . . 52 ILE CA . 15477 1 418 . 1 1 55 55 ILE CB C 13 39.228 0.4 . 1 . . . . 52 ILE CB . 15477 1 419 . 1 1 55 55 ILE CD1 C 13 12.327 0.4 . 1 . . . . 52 ILE CD1 . 15477 1 420 . 1 1 55 55 ILE CG1 C 13 26.902 0.4 . 1 . . . . 52 ILE CG1 . 15477 1 421 . 1 1 55 55 ILE CG2 C 13 17.455 0.4 . 1 . . . . 52 ILE CG2 . 15477 1 422 . 1 1 55 55 ILE N N 15 122.129 0.1 . 1 . . . . 52 ILE N . 15477 1 423 . 1 1 56 56 GLN H H 1 8.573 0.02 . 1 . . . . 53 GLN HN . 15477 1 424 . 1 1 56 56 GLN HA H 1 5.394 0.02 . 1 . . . . 53 GLN HA . 15477 1 425 . 1 1 56 56 GLN HB2 H 1 1.875 0.02 . 2 . . . . 53 GLN HB2 . 15477 1 426 . 1 1 56 56 GLN HB3 H 1 1.984 0.02 . 2 . . . . 53 GLN HB3 . 15477 1 427 . 1 1 56 56 GLN HG2 H 1 2.173 0.02 . 2 . . . . 53 GLN HG1 . 15477 1 428 . 1 1 56 56 GLN HG3 H 1 2.73 0.02 . 2 . . . . 53 GLN HG2 . 15477 1 429 . 1 1 56 56 GLN C C 13 174.379 0.4 . 1 . . . . 53 GLN CO . 15477 1 430 . 1 1 56 56 GLN CA C 13 54.79 0.4 . 1 . . . . 53 GLN CA . 15477 1 431 . 1 1 56 56 GLN CB C 13 33.315 0.4 . 1 . . . . 53 GLN CB . 15477 1 432 . 1 1 56 56 GLN CG C 13 36.268 0.4 . 1 . . . . 53 GLN CG . 15477 1 433 . 1 1 56 56 GLN N N 15 126.768 0.1 . 1 . . . . 53 GLN N . 15477 1 434 . 1 1 57 57 GLU H H 1 7.782 0.02 . 1 . . . . 54 GLU HN . 15477 1 435 . 1 1 57 57 GLU HA H 1 4.967 0.02 . 1 . . . . 54 GLU HA . 15477 1 436 . 1 1 57 57 GLU HB2 H 1 1.636 0.02 . 2 . . . . 54 GLU HB2 . 15477 1 437 . 1 1 57 57 GLU HB3 H 1 2.504 0.02 . 2 . . . . 54 GLU HB3 . 15477 1 438 . 1 1 57 57 GLU HG2 H 1 2.183 0.02 . 2 . . . . 54 GLU HG2 . 15477 1 439 . 1 1 57 57 GLU HG3 H 1 2.349 0.02 . 2 . . . . 54 GLU HG3 . 15477 1 440 . 1 1 57 57 GLU C C 13 176.345 0.4 . 1 . . . . 54 GLU CO . 15477 1 441 . 1 1 57 57 GLU CA C 13 55.405 0.4 . 1 . . . . 54 GLU CA . 15477 1 442 . 1 1 57 57 GLU CB C 13 36.08 0.4 . 1 . . . . 54 GLU CB . 15477 1 443 . 1 1 57 57 GLU CG C 13 36.147 0.4 . 1 . . . . 54 GLU CG . 15477 1 444 . 1 1 57 57 GLU N N 15 117.99 0.1 . 1 . . . . 54 GLU N . 15477 1 445 . 1 1 58 58 CYS H H 1 8.78 0.02 . 1 . . . . 55 CYS HN . 15477 1 446 . 1 1 58 58 CYS HA H 1 5.145 0.02 . 1 . . . . 55 CYS HA . 15477 1 447 . 1 1 58 58 CYS HB2 H 1 2.621 0.02 . 2 . . . . 55 CYS HB2 . 15477 1 448 . 1 1 58 58 CYS HB3 H 1 3.016 0.02 . 2 . . . . 55 CYS HB3 . 15477 1 449 . 1 1 58 58 CYS C C 13 175.293 0.4 . 1 . . . . 55 CYS CO . 15477 1 450 . 1 1 58 58 CYS CA C 13 57.749 0.4 . 1 . . . . 55 CYS CA . 15477 1 451 . 1 1 58 58 CYS CB C 13 45.523 0.4 . 1 . . . . 55 CYS CB . 15477 1 452 . 1 1 58 58 CYS N N 15 119.662 0.1 . 1 . . . . 55 CYS N . 15477 1 453 . 1 1 59 59 LYS H H 1 9.277 0.02 . 1 . . . . 56 LYS HN . 15477 1 454 . 1 1 59 59 LYS HA H 1 4.896 0.02 . 1 . . . . 56 LYS HA . 15477 1 455 . 1 1 59 59 LYS HB2 H 1 1.319 0.02 . 2 . . . . 56 LYS HB2 . 15477 1 456 . 1 1 59 59 LYS HB3 H 1 2.108 0.02 . 2 . . . . 56 LYS HB3 . 15477 1 457 . 1 1 59 59 LYS HD2 H 1 1.733 0.02 . 2 . . . . 56 LYS HD2 . 15477 1 458 . 1 1 59 59 LYS HD3 H 1 1.954 0.02 . 2 . . . . 56 LYS HD3 . 15477 1 459 . 1 1 59 59 LYS HE2 H 1 2.667 0.02 . 1 . . . . 56 LYS HE2 . 15477 1 460 . 1 1 59 59 LYS HE3 H 1 2.777 0.02 . 1 . . . . 56 LYS HE3 . 15477 1 461 . 1 1 59 59 LYS HG2 H 1 1.232 0.02 . 1 . . . . 56 LYS HG# . 15477 1 462 . 1 1 59 59 LYS HG3 H 1 1.232 0.02 . 1 . . . . 56 LYS HG# . 15477 1 463 . 1 1 59 59 LYS C C 13 176.049 0.4 . 1 . . . . 56 LYS CO . 15477 1 464 . 1 1 59 59 LYS CA C 13 53.903 0.4 . 1 . . . . 56 LYS CA . 15477 1 465 . 1 1 59 59 LYS CB C 13 40.637 0.4 . 1 . . . . 56 LYS CB . 15477 1 466 . 1 1 59 59 LYS CD C 13 28.628 0.4 . 1 . . . . 56 LYS CD . 15477 1 467 . 1 1 59 59 LYS CE C 13 42.088 0.4 . 1 . . . . 56 LYS CE . 15477 1 468 . 1 1 59 59 LYS CG C 13 25.62 0.4 . 1 . . . . 56 LYS CG . 15477 1 469 . 1 1 59 59 LYS N N 15 120.535 0.1 . 1 . . . . 56 LYS N . 15477 1 470 . 1 1 60 60 THR H H 1 7.997 0.02 . 1 . . . . 57 THR HN . 15477 1 471 . 1 1 60 60 THR HA H 1 4.876 0.02 . 1 . . . . 57 THR HA . 15477 1 472 . 1 1 60 60 THR HB H 1 4.805 0.02 . 1 . . . . 57 THR HB . 15477 1 473 . 1 1 60 60 THR HG21 H 1 1.269 0.02 . 1 . . . . 57 THR HG2# . 15477 1 474 . 1 1 60 60 THR HG22 H 1 1.269 0.02 . 1 . . . . 57 THR HG2# . 15477 1 475 . 1 1 60 60 THR HG23 H 1 1.269 0.02 . 1 . . . . 57 THR HG2# . 15477 1 476 . 1 1 60 60 THR C C 13 175.637 0.4 . 1 . . . . 57 THR CO . 15477 1 477 . 1 1 60 60 THR CA C 13 61.017 0.4 . 1 . . . . 57 THR CA . 15477 1 478 . 1 1 60 60 THR CB C 13 70.774 0.4 . 1 . . . . 57 THR CB . 15477 1 479 . 1 1 60 60 THR CG2 C 13 21.396 0.4 . 1 . . . . 57 THR CG2 . 15477 1 480 . 1 1 60 60 THR N N 15 108.91 0.1 . 1 . . . . 57 THR N . 15477 1 481 . 1 1 61 61 VAL H H 1 8.689 0.02 . 1 . . . . 58 VAL HN . 15477 1 482 . 1 1 61 61 VAL HA H 1 3.477 0.02 . 1 . . . . 58 VAL HA . 15477 1 483 . 1 1 61 61 VAL HB H 1 1.978 0.02 . 1 . . . . 58 VAL HB . 15477 1 484 . 1 1 61 61 VAL HG11 H 1 0.932 0.02 . 2 . . . . 58 VAL HG1# . 15477 1 485 . 1 1 61 61 VAL HG12 H 1 0.932 0.02 . 2 . . . . 58 VAL HG1# . 15477 1 486 . 1 1 61 61 VAL HG13 H 1 0.932 0.02 . 2 . . . . 58 VAL HG1# . 15477 1 487 . 1 1 61 61 VAL HG21 H 1 0.984 0.02 . 2 . . . . 58 VAL HG2# . 15477 1 488 . 1 1 61 61 VAL HG22 H 1 0.984 0.02 . 2 . . . . 58 VAL HG2# . 15477 1 489 . 1 1 61 61 VAL HG23 H 1 0.984 0.02 . 2 . . . . 58 VAL HG2# . 15477 1 490 . 1 1 61 61 VAL C C 13 178.541 0.4 . 1 . . . . 58 VAL CO . 15477 1 491 . 1 1 61 61 VAL CA C 13 67.024 0.4 . 1 . . . . 58 VAL CA . 15477 1 492 . 1 1 61 61 VAL CB C 13 31.751 0.4 . 1 . . . . 58 VAL CB . 15477 1 493 . 1 1 61 61 VAL CG1 C 13 20.733 0.4 . 2 . . . . 58 VAL CG1 . 15477 1 494 . 1 1 61 61 VAL CG2 C 13 22.524 0.4 . 2 . . . . 58 VAL CG2 . 15477 1 495 . 1 1 61 61 VAL N N 15 121.313 0.1 . 1 . . . . 58 VAL N . 15477 1 496 . 1 1 62 62 GLN H H 1 8.564 0.02 . 1 . . . . 59 GLN HN . 15477 1 497 . 1 1 62 62 GLN HA H 1 4.062 0.02 . 1 . . . . 59 GLN HA . 15477 1 498 . 1 1 62 62 GLN HB2 H 1 1.906 0.02 . 2 . . . . 59 GLN HB2 . 15477 1 499 . 1 1 62 62 GLN HB3 H 1 2.1 0.02 . 2 . . . . 59 GLN HB3 . 15477 1 500 . 1 1 62 62 GLN HG2 H 1 2.395 0.02 . 1 . . . . 59 GLN HG# . 15477 1 501 . 1 1 62 62 GLN HG3 H 1 2.395 0.02 . 1 . . . . 59 GLN HG# . 15477 1 502 . 1 1 62 62 GLN C C 13 178.871 0.4 . 1 . . . . 59 GLN CO . 15477 1 503 . 1 1 62 62 GLN CA C 13 58.993 0.4 . 1 . . . . 59 GLN CA . 15477 1 504 . 1 1 62 62 GLN CB C 13 28.085 0.4 . 1 . . . . 59 GLN CB . 15477 1 505 . 1 1 62 62 GLN CG C 13 33.506 0.4 . 1 . . . . 59 GLN CG . 15477 1 506 . 1 1 62 62 GLN N N 15 119.395 0.1 . 1 . . . . 59 GLN N . 15477 1 507 . 1 1 63 63 GLN H H 1 7.644 0.02 . 1 . . . . 60 GLN HN . 15477 1 508 . 1 1 63 63 GLN HA H 1 4.082 0.02 . 1 . . . . 60 GLN HA . 15477 1 509 . 1 1 63 63 GLN HB2 H 1 1.904 0.02 . 2 . . . . 60 GLN HB2 . 15477 1 510 . 1 1 63 63 GLN HB3 H 1 2.155 0.02 . 2 . . . . 60 GLN HB3 . 15477 1 511 . 1 1 63 63 GLN HG2 H 1 2.462 0.02 . 1 . . . . 60 GLN HG# . 15477 1 512 . 1 1 63 63 GLN HG3 H 1 2.462 0.02 . 1 . . . . 60 GLN HG# . 15477 1 513 . 1 1 63 63 GLN C C 13 179.023 0.4 . 1 . . . . 60 GLN CO . 15477 1 514 . 1 1 63 63 GLN CA C 13 58.106 0.4 . 1 . . . . 60 GLN CA . 15477 1 515 . 1 1 63 63 GLN CB C 13 29.283 0.4 . 1 . . . . 60 GLN CB . 15477 1 516 . 1 1 63 63 GLN CG C 13 34.299 0.4 . 1 . . . . 60 GLN CG . 15477 1 517 . 1 1 63 63 GLN N N 15 116.638 0.1 . 1 . . . . 60 GLN N . 15477 1 518 . 1 1 64 64 CYS H H 1 8.543 0.02 . 1 . . . . 61 CYS HN . 15477 1 519 . 1 1 64 64 CYS HA H 1 3.951 0.02 . 1 . . . . 61 CYS HA . 15477 1 520 . 1 1 64 64 CYS HB2 H 1 2.991 0.02 . 2 . . . . 61 CYS HB2 . 15477 1 521 . 1 1 64 64 CYS HB3 H 1 3.429 0.02 . 2 . . . . 61 CYS HB3 . 15477 1 522 . 1 1 64 64 CYS C C 13 176.171 0.4 . 1 . . . . 61 CYS CO . 15477 1 523 . 1 1 64 64 CYS CA C 13 64.735 0.4 . 1 . . . . 61 CYS CA . 15477 1 524 . 1 1 64 64 CYS CB C 13 40.828 0.4 . 1 . . . . 61 CYS CB . 15477 1 525 . 1 1 64 64 CYS N N 15 118.614 0.1 . 1 . . . . 61 CYS N . 15477 1 526 . 1 1 65 65 ALA H H 1 7.791 0.02 . 1 . . . . 62 ALA HN . 15477 1 527 . 1 1 65 65 ALA HA H 1 4.021 0.02 . 1 . . . . 62 ALA HA . 15477 1 528 . 1 1 65 65 ALA HB1 H 1 1.501 0.02 . 1 . . . . 62 ALA HB# . 15477 1 529 . 1 1 65 65 ALA HB2 H 1 1.501 0.02 . 1 . . . . 62 ALA HB# . 15477 1 530 . 1 1 65 65 ALA HB3 H 1 1.501 0.02 . 1 . . . . 62 ALA HB# . 15477 1 531 . 1 1 65 65 ALA C C 13 180.353 0.4 . 1 . . . . 62 ALA CO . 15477 1 532 . 1 1 65 65 ALA CA C 13 55.249 0.4 . 1 . . . . 62 ALA CA . 15477 1 533 . 1 1 65 65 ALA CB C 13 18.069 0.4 . 1 . . . . 62 ALA CB . 15477 1 534 . 1 1 65 65 ALA N N 15 119.479 0.1 . 1 . . . . 62 ALA N . 15477 1 535 . 1 1 66 66 GLU H H 1 7.685 0.02 . 1 . . . . 63 GLU HN . 15477 1 536 . 1 1 66 66 GLU HA H 1 4.041 0.02 . 1 . . . . 63 GLU HA . 15477 1 537 . 1 1 66 66 GLU HB2 H 1 2.054 0.02 . 2 . . . . 63 GLU HB2 . 15477 1 538 . 1 1 66 66 GLU HB3 H 1 2.167 0.02 . 2 . . . . 63 GLU HB3 . 15477 1 539 . 1 1 66 66 GLU HG2 H 1 2.258 0.02 . 2 . . . . 63 GLU HG2 . 15477 1 540 . 1 1 66 66 GLU HG3 H 1 2.5 0.02 . 2 . . . . 63 GLU HG3 . 15477 1 541 . 1 1 66 66 GLU C C 13 179.701 0.4 . 1 . . . . 63 GLU CO . 15477 1 542 . 1 1 66 66 GLU CA C 13 59.44 0.4 . 1 . . . . 63 GLU CA . 15477 1 543 . 1 1 66 66 GLU CB C 13 29.735 0.4 . 1 . . . . 63 GLU CB . 15477 1 544 . 1 1 66 66 GLU CG C 13 36.519 0.4 . 1 . . . . 63 GLU CG . 15477 1 545 . 1 1 66 66 GLU N N 15 117.981 0.1 . 1 . . . . 63 GLU N . 15477 1 546 . 1 1 67 67 VAL H H 1 7.795 0.02 . 1 . . . . 64 VAL HN . 15477 1 547 . 1 1 67 67 VAL HA H 1 3.826 0.02 . 1 . . . . 64 VAL HA . 15477 1 548 . 1 1 67 67 VAL HB H 1 2.079 0.02 . 1 . . . . 64 VAL HB . 15477 1 549 . 1 1 67 67 VAL HG11 H 1 0.938 0.02 . 2 . . . . 64 VAL HG1# . 15477 1 550 . 1 1 67 67 VAL HG12 H 1 0.938 0.02 . 2 . . . . 64 VAL HG1# . 15477 1 551 . 1 1 67 67 VAL HG13 H 1 0.938 0.02 . 2 . . . . 64 VAL HG1# . 15477 1 552 . 1 1 67 67 VAL HG21 H 1 1.056 0.02 . 2 . . . . 64 VAL HG2# . 15477 1 553 . 1 1 67 67 VAL HG22 H 1 1.056 0.02 . 2 . . . . 64 VAL HG2# . 15477 1 554 . 1 1 67 67 VAL HG23 H 1 1.056 0.02 . 2 . . . . 64 VAL HG2# . 15477 1 555 . 1 1 67 67 VAL C C 13 178.078 0.4 . 1 . . . . 64 VAL CO . 15477 1 556 . 1 1 67 67 VAL CA C 13 66.262 0.4 . 1 . . . . 64 VAL CA . 15477 1 557 . 1 1 67 67 VAL CB C 13 31.703 0.4 . 1 . . . . 64 VAL CB . 15477 1 558 . 1 1 67 67 VAL CG1 C 13 22.454 0.4 . 2 . . . . 64 VAL CG1 . 15477 1 559 . 1 1 67 67 VAL CG2 C 13 22.479 0.4 . 2 . . . . 64 VAL CG2 . 15477 1 560 . 1 1 67 67 VAL N N 15 120.422 0.1 . 1 . . . . 64 VAL N . 15477 1 561 . 1 1 68 68 LEU H H 1 8.563 0.02 . 1 . . . . 65 LEU HN . 15477 1 562 . 1 1 68 68 LEU HA H 1 3.897 0.02 . 1 . . . . 65 LEU HA . 15477 1 563 . 1 1 68 68 LEU HB2 H 1 1.726 0.02 . 2 . . . . 65 LEU HB2 . 15477 1 564 . 1 1 68 68 LEU HB3 H 1 1.83 0.02 . 2 . . . . 65 LEU HB3 . 15477 1 565 . 1 1 68 68 LEU HD11 H 1 0.776 0.02 . 2 . . . . 65 LEU HD1# . 15477 1 566 . 1 1 68 68 LEU HD12 H 1 0.776 0.02 . 2 . . . . 65 LEU HD1# . 15477 1 567 . 1 1 68 68 LEU HD13 H 1 0.776 0.02 . 2 . . . . 65 LEU HD1# . 15477 1 568 . 1 1 68 68 LEU HD21 H 1 0.796 0.02 . 2 . . . . 65 LEU HD2# . 15477 1 569 . 1 1 68 68 LEU HD22 H 1 0.796 0.02 . 2 . . . . 65 LEU HD2# . 15477 1 570 . 1 1 68 68 LEU HD23 H 1 0.796 0.02 . 2 . . . . 65 LEU HD2# . 15477 1 571 . 1 1 68 68 LEU HG H 1 1.701 0.02 . 1 . . . . 65 LEU HG . 15477 1 572 . 1 1 68 68 LEU C C 13 180.593 0.4 . 1 . . . . 65 LEU CO . 15477 1 573 . 1 1 68 68 LEU CA C 13 58.495 0.4 . 1 . . . . 65 LEU CA . 15477 1 574 . 1 1 68 68 LEU CB C 13 41.633 0.4 . 1 . . . . 65 LEU CB . 15477 1 575 . 1 1 68 68 LEU CD1 C 13 24.934 0.4 . 2 . . . . 65 LEU CD1 . 15477 1 576 . 1 1 68 68 LEU CD2 C 13 25.426 0.4 . 2 . . . . 65 LEU CD2 . 15477 1 577 . 1 1 68 68 LEU CG C 13 26.941 0.4 . 1 . . . . 65 LEU CG . 15477 1 578 . 1 1 68 68 LEU N N 15 119.314 0.1 . 1 . . . . 65 LEU N . 15477 1 579 . 1 1 69 69 GLU H H 1 8.071 0.02 . 1 . . . . 66 GLU HN . 15477 1 580 . 1 1 69 69 GLU HA H 1 3.947 0.02 . 1 . . . . 66 GLU HA . 15477 1 581 . 1 1 69 69 GLU HB2 H 1 2.122 0.02 . 1 . . . . 66 GLU HB# . 15477 1 582 . 1 1 69 69 GLU HB3 H 1 2.122 0.02 . 1 . . . . 66 GLU HB# . 15477 1 583 . 1 1 69 69 GLU HG2 H 1 2.293 0.02 . 2 . . . . 66 GLU HG2 . 15477 1 584 . 1 1 69 69 GLU HG3 H 1 2.375 0.02 . 2 . . . . 66 GLU HG3 . 15477 1 585 . 1 1 69 69 GLU C C 13 178.591 0.4 . 1 . . . . 66 GLU CO . 15477 1 586 . 1 1 69 69 GLU CA C 13 59.727 0.4 . 1 . . . . 66 GLU CA . 15477 1 587 . 1 1 69 69 GLU CB C 13 29.549 0.4 . 1 . . . . 66 GLU CB . 15477 1 588 . 1 1 69 69 GLU CG C 13 36.167 0.4 . 1 . . . . 66 GLU CG . 15477 1 589 . 1 1 69 69 GLU N N 15 120.124 0.1 . 1 . . . . 66 GLU N . 15477 1 590 . 1 1 70 70 GLU H H 1 7.471 0.02 . 1 . . . . 67 GLU HN . 15477 1 591 . 1 1 70 70 GLU HA H 1 4.111 0.02 . 1 . . . . 67 GLU HA . 15477 1 592 . 1 1 70 70 GLU HB2 H 1 2.226 0.02 . 1 . . . . 67 GLU HB# . 15477 1 593 . 1 1 70 70 GLU HB3 H 1 2.226 0.02 . 1 . . . . 67 GLU HB# . 15477 1 594 . 1 1 70 70 GLU HG2 H 1 2.146 0.02 . 2 . . . . 67 GLU HG2 . 15477 1 595 . 1 1 70 70 GLU HG3 H 1 2.38 0.02 . 2 . . . . 67 GLU HG3 . 15477 1 596 . 1 1 70 70 GLU C C 13 179.873 0.4 . 1 . . . . 67 GLU CO . 15477 1 597 . 1 1 70 70 GLU CA C 13 59.439 0.4 . 1 . . . . 67 GLU CA . 15477 1 598 . 1 1 70 70 GLU CB C 13 30.021 0.4 . 1 . . . . 67 GLU CB . 15477 1 599 . 1 1 70 70 GLU CG C 13 36.023 0.4 . 1 . . . . 67 GLU CG . 15477 1 600 . 1 1 70 70 GLU N N 15 119.545 0.1 . 1 . . . . 67 GLU N . 15477 1 601 . 1 1 71 71 VAL H H 1 8.79 0.02 . 1 . . . . 68 VAL HN . 15477 1 602 . 1 1 71 71 VAL HA H 1 4.137 0.02 . 1 . . . . 68 VAL HA . 15477 1 603 . 1 1 71 71 VAL HB H 1 2.406 0.02 . 1 . . . . 68 VAL HB . 15477 1 604 . 1 1 71 71 VAL HG11 H 1 1.111 0.02 . 2 . . . . 68 VAL HG1# . 15477 1 605 . 1 1 71 71 VAL HG12 H 1 1.111 0.02 . 2 . . . . 68 VAL HG1# . 15477 1 606 . 1 1 71 71 VAL HG13 H 1 1.111 0.02 . 2 . . . . 68 VAL HG1# . 15477 1 607 . 1 1 71 71 VAL HG21 H 1 1.13 0.02 . 2 . . . . 68 VAL HG2# . 15477 1 608 . 1 1 71 71 VAL HG22 H 1 1.13 0.02 . 2 . . . . 68 VAL HG2# . 15477 1 609 . 1 1 71 71 VAL HG23 H 1 1.13 0.02 . 2 . . . . 68 VAL HG2# . 15477 1 610 . 1 1 71 71 VAL C C 13 178.818 0.4 . 1 . . . . 68 VAL CO . 15477 1 611 . 1 1 71 71 VAL CA C 13 64.321 0.4 . 1 . . . . 68 VAL CA . 15477 1 612 . 1 1 71 71 VAL CB C 13 31.23 0.4 . 1 . . . . 68 VAL CB . 15477 1 613 . 1 1 71 71 VAL CG1 C 13 21.723 0.4 . 2 . . . . 68 VAL CG1 . 15477 1 614 . 1 1 71 71 VAL CG2 C 13 19.916 0.4 . 2 . . . . 68 VAL CG2 . 15477 1 615 . 1 1 71 71 VAL N N 15 111.497 0.1 . 1 . . . . 68 VAL N . 15477 1 616 . 1 1 72 72 THR H H 1 8.231 0.02 . 1 . . . . 69 THR HN . 15477 1 617 . 1 1 72 72 THR HA H 1 4.161 0.02 . 1 . . . . 69 THR HA . 15477 1 618 . 1 1 72 72 THR HB H 1 4.243 0.02 . 1 . . . . 69 THR HB . 15477 1 619 . 1 1 72 72 THR HG21 H 1 1.332 0.02 . 1 . . . . 69 THR HG2# . 15477 1 620 . 1 1 72 72 THR HG22 H 1 1.332 0.02 . 1 . . . . 69 THR HG2# . 15477 1 621 . 1 1 72 72 THR HG23 H 1 1.332 0.02 . 1 . . . . 69 THR HG2# . 15477 1 622 . 1 1 72 72 THR C C 13 177.502 0.4 . 1 . . . . 69 THR CO . 15477 1 623 . 1 1 72 72 THR CA C 13 66.179 0.4 . 1 . . . . 69 THR CA . 15477 1 624 . 1 1 72 72 THR CB C 13 68.77 0.4 . 1 . . . . 69 THR CB . 15477 1 625 . 1 1 72 72 THR CG2 C 13 21.286 0.4 . 1 . . . . 69 THR CG2 . 15477 1 626 . 1 1 72 72 THR N N 15 118.078 0.1 . 1 . . . . 69 THR N . 15477 1 627 . 1 1 73 73 ALA H H 1 7.177 0.02 . 1 . . . . 70 ALA HN . 15477 1 628 . 1 1 73 73 ALA HA H 1 4.139 0.02 . 1 . . . . 70 ALA HA . 15477 1 629 . 1 1 73 73 ALA HB1 H 1 1.502 0.02 . 1 . . . . 70 ALA HB# . 15477 1 630 . 1 1 73 73 ALA HB2 H 1 1.502 0.02 . 1 . . . . 70 ALA HB# . 15477 1 631 . 1 1 73 73 ALA HB3 H 1 1.502 0.02 . 1 . . . . 70 ALA HB# . 15477 1 632 . 1 1 73 73 ALA C C 13 179.116 0.4 . 1 . . . . 70 ALA CO . 15477 1 633 . 1 1 73 73 ALA CA C 13 54.69 0.4 . 1 . . . . 70 ALA CA . 15477 1 634 . 1 1 73 73 ALA CB C 13 18.039 0.4 . 1 . . . . 70 ALA CB . 15477 1 635 . 1 1 73 73 ALA N N 15 123.757 0.1 . 1 . . . . 70 ALA N . 15477 1 636 . 1 1 74 74 ILE H H 1 6.874 0.02 . 1 . . . . 71 ILE HN . 15477 1 637 . 1 1 74 74 ILE HA H 1 3.988 0.02 . 1 . . . . 71 ILE HA . 15477 1 638 . 1 1 74 74 ILE HB H 1 1.559 0.02 . 1 . . . . 71 ILE HB . 15477 1 639 . 1 1 74 74 ILE HD11 H 1 0.71 0.02 . 1 . . . . 71 ILE HD1# . 15477 1 640 . 1 1 74 74 ILE HD12 H 1 0.71 0.02 . 1 . . . . 71 ILE HD1# . 15477 1 641 . 1 1 74 74 ILE HD13 H 1 0.71 0.02 . 1 . . . . 71 ILE HD1# . 15477 1 642 . 1 1 74 74 ILE HG12 H 1 0.989 0.02 . 2 . . . . 71 ILE HG12 . 15477 1 643 . 1 1 74 74 ILE HG13 H 1 1.233 0.02 . 2 . . . . 71 ILE HG13 . 15477 1 644 . 1 1 74 74 ILE HG21 H 1 0.521 0.02 . 1 . . . . 71 ILE HG2# . 15477 1 645 . 1 1 74 74 ILE HG22 H 1 0.521 0.02 . 1 . . . . 71 ILE HG2# . 15477 1 646 . 1 1 74 74 ILE HG23 H 1 0.521 0.02 . 1 . . . . 71 ILE HG2# . 15477 1 647 . 1 1 74 74 ILE C C 13 176.201 0.4 . 1 . . . . 71 ILE CO . 15477 1 648 . 1 1 74 74 ILE CA C 13 61.927 0.4 . 1 . . . . 71 ILE CA . 15477 1 649 . 1 1 74 74 ILE CB C 13 38.431 0.4 . 1 . . . . 71 ILE CB . 15477 1 650 . 1 1 74 74 ILE CD1 C 13 13.747 0.4 . 1 . . . . 71 ILE CD1 . 15477 1 651 . 1 1 74 74 ILE CG1 C 13 27.418 0.4 . 1 . . . . 71 ILE CG1 . 15477 1 652 . 1 1 74 74 ILE CG2 C 13 17.437 0.4 . 1 . . . . 71 ILE CG2 . 15477 1 653 . 1 1 74 74 ILE N N 15 113.131 0.1 . 1 . . . . 71 ILE N . 15477 1 654 . 1 1 75 75 GLY H H 1 7.476 0.02 . 1 . . . . 72 GLY HN . 15477 1 655 . 1 1 75 75 GLY HA2 H 1 3.663 0.02 . 2 . . . . 72 GLY HA2 . 15477 1 656 . 1 1 75 75 GLY HA3 H 1 4.166 0.02 . 2 . . . . 72 GLY HA3 . 15477 1 657 . 1 1 75 75 GLY C C 13 174.832 0.4 . 1 . . . . 72 GLY CO . 15477 1 658 . 1 1 75 75 GLY CA C 13 45.144 0.4 . 1 . . . . 72 GLY CA . 15477 1 659 . 1 1 75 75 GLY N N 15 106.405 0.1 . 1 . . . . 72 GLY N . 15477 1 660 . 1 1 76 76 TYR H H 1 7.34 0.02 . 1 . . . . 73 TYR HN . 15477 1 661 . 1 1 76 76 TYR HA H 1 5.184 0.02 . 1 . . . . 73 TYR HA . 15477 1 662 . 1 1 76 76 TYR HB2 H 1 2.474 0.02 . 2 . . . . 73 TYR HB2 . 15477 1 663 . 1 1 76 76 TYR HB3 H 1 3.215 0.02 . 2 . . . . 73 TYR HB3 . 15477 1 664 . 1 1 76 76 TYR HD1 H 1 6.844 0.02 . 1 . . . . 73 TYR HD# . 15477 1 665 . 1 1 76 76 TYR HD2 H 1 6.844 0.02 . 1 . . . . 73 TYR HD# . 15477 1 666 . 1 1 76 76 TYR HE1 H 1 6.747 0.02 . 1 . . . . 73 TYR HE# . 15477 1 667 . 1 1 76 76 TYR HE2 H 1 6.747 0.02 . 1 . . . . 73 TYR HE# . 15477 1 668 . 1 1 76 76 TYR C C 13 173.889 0.4 . 1 . . . . 73 TYR CO . 15477 1 669 . 1 1 76 76 TYR CA C 13 52.922 0.4 . 1 . . . . 73 TYR CA . 15477 1 670 . 1 1 76 76 TYR CB C 13 36.723 0.4 . 1 . . . . 73 TYR CB . 15477 1 671 . 1 1 76 76 TYR CD1 C 13 131.42 0.4 . 1 . . . . 73 TYR CD# . 15477 1 672 . 1 1 76 76 TYR CD2 C 13 131.42 0.4 . 1 . . . . 73 TYR CD# . 15477 1 673 . 1 1 76 76 TYR CE1 C 13 118.51 0.4 . 1 . . . . 73 TYR CE# . 15477 1 674 . 1 1 76 76 TYR CE2 C 13 118.51 0.4 . 1 . . . . 73 TYR CE# . 15477 1 675 . 1 1 76 76 TYR N N 15 122.416 0.1 . 1 . . . . 73 TYR N . 15477 1 676 . 1 1 77 77 PRO HA H 1 4.394 0.02 . 1 . . . . 74 PRO HA . 15477 1 677 . 1 1 77 77 PRO HB2 H 1 1.929 0.02 . 2 . . . . 74 PRO HB2 . 15477 1 678 . 1 1 77 77 PRO HB3 H 1 2.409 0.02 . 2 . . . . 74 PRO HB3 . 15477 1 679 . 1 1 77 77 PRO HD2 H 1 4.04 0.02 . 2 . . . . 74 PRO HD2 . 15477 1 680 . 1 1 77 77 PRO HD3 H 1 4.224 0.02 . 2 . . . . 74 PRO HD3 . 15477 1 681 . 1 1 77 77 PRO HG2 H 1 2.03 0.02 . 2 . . . . 74 PRO HG2 . 15477 1 682 . 1 1 77 77 PRO HG3 H 1 2.172 0.02 . 2 . . . . 74 PRO HG3 . 15477 1 683 . 1 1 77 77 PRO C C 13 175.722 0.4 . 1 . . . . 74 PRO CO . 15477 1 684 . 1 1 77 77 PRO CA C 13 63.242 0.4 . 1 . . . . 74 PRO CA . 15477 1 685 . 1 1 77 77 PRO CB C 13 32.46 0.4 . 1 . . . . 74 PRO CB . 15477 1 686 . 1 1 77 77 PRO CD C 13 50.959 0.4 . 1 . . . . 74 PRO CD . 15477 1 687 . 1 1 77 77 PRO CG C 13 27.912 0.4 . 1 . . . . 74 PRO CG . 15477 1 688 . 1 1 78 78 ALA H H 1 7.778 0.02 . 1 . . . . 75 ALA HN . 15477 1 689 . 1 1 78 78 ALA HA H 1 5.239 0.02 . 1 . . . . 75 ALA HA . 15477 1 690 . 1 1 78 78 ALA HB1 H 1 1.367 0.02 . 1 . . . . 75 ALA HB# . 15477 1 691 . 1 1 78 78 ALA HB2 H 1 1.367 0.02 . 1 . . . . 75 ALA HB# . 15477 1 692 . 1 1 78 78 ALA HB3 H 1 1.367 0.02 . 1 . . . . 75 ALA HB# . 15477 1 693 . 1 1 78 78 ALA C C 13 176.207 0.4 . 1 . . . . 75 ALA CO . 15477 1 694 . 1 1 78 78 ALA CA C 13 51.422 0.4 . 1 . . . . 75 ALA CA . 15477 1 695 . 1 1 78 78 ALA CB C 13 25.258 0.4 . 1 . . . . 75 ALA CB . 15477 1 696 . 1 1 78 78 ALA N N 15 122.638 0.1 . 1 . . . . 75 ALA N . 15477 1 697 . 1 1 79 79 LYS H H 1 9.213 0.02 . 1 . . . . 76 LYS HN . 15477 1 698 . 1 1 79 79 LYS HA H 1 4.632 0.02 . 1 . . . . 76 LYS HA . 15477 1 699 . 1 1 79 79 LYS HB2 H 1 1.743 0.02 . 2 . . . . 76 LYS HB2 . 15477 1 700 . 1 1 79 79 LYS HB3 H 1 1.948 0.02 . 2 . . . . 76 LYS HB3 . 15477 1 701 . 1 1 79 79 LYS HD2 H 1 1.645 0.02 . 1 . . . . 76 LYS HD# . 15477 1 702 . 1 1 79 79 LYS HD3 H 1 1.645 0.02 . 1 . . . . 76 LYS HD# . 15477 1 703 . 1 1 79 79 LYS HE2 H 1 2.857 0.02 . 1 . . . . 76 LYS HE2 . 15477 1 704 . 1 1 79 79 LYS HE3 H 1 2.89 0.02 . 1 . . . . 76 LYS HE3 . 15477 1 705 . 1 1 79 79 LYS HG2 H 1 1.176 0.02 . 2 . . . . 76 LYS HG2 . 15477 1 706 . 1 1 79 79 LYS HG3 H 1 1.376 0.02 . 2 . . . . 76 LYS HG3 . 15477 1 707 . 1 1 79 79 LYS C C 13 173.669 0.4 . 1 . . . . 76 LYS CO . 15477 1 708 . 1 1 79 79 LYS CA C 13 55.912 0.4 . 1 . . . . 76 LYS CA . 15477 1 709 . 1 1 79 79 LYS CB C 13 36.309 0.4 . 1 . . . . 76 LYS CB . 15477 1 710 . 1 1 79 79 LYS CD C 13 29.679 0.4 . 1 . . . . 76 LYS CD . 15477 1 711 . 1 1 79 79 LYS CE C 13 42.35 0.4 . 1 . . . . 76 LYS CE . 15477 1 712 . 1 1 79 79 LYS CG C 13 24.609 0.4 . 1 . . . . 76 LYS CG . 15477 1 713 . 1 1 79 79 LYS N N 15 115.751 0.1 . 1 . . . . 76 LYS N . 15477 1 714 . 1 1 80 80 CYS H H 1 8.602 0.02 . 1 . . . . 77 CYS HN . 15477 1 715 . 1 1 80 80 CYS HA H 1 5.535 0.02 . 1 . . . . 77 CYS HA . 15477 1 716 . 1 1 80 80 CYS HB2 H 1 2.698 0.02 . 2 . . . . 77 CYS HB2 . 15477 1 717 . 1 1 80 80 CYS HB3 H 1 3.201 0.02 . 2 . . . . 77 CYS HB3 . 15477 1 718 . 1 1 80 80 CYS C C 13 174.029 0.4 . 1 . . . . 77 CYS CO . 15477 1 719 . 1 1 80 80 CYS CA C 13 56.029 0.4 . 1 . . . . 77 CYS CA . 15477 1 720 . 1 1 80 80 CYS CB C 13 47.796 0.4 . 1 . . . . 77 CYS CB . 15477 1 721 . 1 1 80 80 CYS N N 15 119.633 0.1 . 1 . . . . 77 CYS N . 15477 1 722 . 1 1 81 81 CYS H H 1 9.428 0.02 . 1 . . . . 78 CYS HN . 15477 1 723 . 1 1 81 81 CYS HA H 1 5.391 0.02 . 1 . . . . 78 CYS HA . 15477 1 724 . 1 1 81 81 CYS HB2 H 1 3.148 0.02 . 2 . . . . 78 CYS HB2 . 15477 1 725 . 1 1 81 81 CYS HB3 H 1 3.805 0.02 . 2 . . . . 78 CYS HB3 . 15477 1 726 . 1 1 81 81 CYS C C 13 173.98 0.4 . 1 . . . . 78 CYS CO . 15477 1 727 . 1 1 81 81 CYS CA C 13 54.237 0.4 . 1 . . . . 78 CYS CA . 15477 1 728 . 1 1 81 81 CYS CB C 13 47.557 0.4 . 1 . . . . 78 CYS CB . 15477 1 729 . 1 1 81 81 CYS N N 15 120.091 0.1 . 1 . . . . 78 CYS N . 15477 1 730 . 1 1 82 82 CYS H H 1 9.291 0.02 . 1 . . . . 79 CYS HN . 15477 1 731 . 1 1 82 82 CYS HA H 1 5.134 0.02 . 1 . . . . 79 CYS HA . 15477 1 732 . 1 1 82 82 CYS HB2 H 1 2.98 0.02 . 2 . . . . 79 CYS HB2 . 15477 1 733 . 1 1 82 82 CYS HB3 H 1 3.827 0.02 . 2 . . . . 79 CYS HB3 . 15477 1 734 . 1 1 82 82 CYS C C 13 172.349 0.4 . 1 . . . . 79 CYS CO . 15477 1 735 . 1 1 82 82 CYS CA C 13 56.628 0.4 . 1 . . . . 79 CYS CA . 15477 1 736 . 1 1 82 82 CYS CB C 13 46.122 0.4 . 1 . . . . 79 CYS CB . 15477 1 737 . 1 1 82 82 CYS N N 15 117.137 0.1 . 1 . . . . 79 CYS N . 15477 1 738 . 1 1 83 83 GLU H H 1 7.283 0.02 . 1 . . . . 80 GLU HN . 15477 1 739 . 1 1 83 83 GLU HA H 1 4.625 0.02 . 1 . . . . 80 GLU HA . 15477 1 740 . 1 1 83 83 GLU HB2 H 1 1.827 0.02 . 2 . . . . 80 GLU HB2 . 15477 1 741 . 1 1 83 83 GLU HB3 H 1 1.993 0.02 . 2 . . . . 80 GLU HB3 . 15477 1 742 . 1 1 83 83 GLU HG2 H 1 2.248 0.02 . 1 . . . . 80 GLU HG# . 15477 1 743 . 1 1 83 83 GLU HG3 H 1 2.248 0.02 . 1 . . . . 80 GLU HG# . 15477 1 744 . 1 1 83 83 GLU C C 13 174.435 0.4 . 1 . . . . 80 GLU CO . 15477 1 745 . 1 1 83 83 GLU CA C 13 54.873 0.4 . 1 . . . . 80 GLU CA . 15477 1 746 . 1 1 83 83 GLU CB C 13 33.106 0.4 . 1 . . . . 80 GLU CB . 15477 1 747 . 1 1 83 83 GLU CG C 13 36.605 0.4 . 1 . . . . 80 GLU CG . 15477 1 748 . 1 1 83 83 GLU N N 15 120.821 0.1 . 1 . . . . 80 GLU N . 15477 1 749 . 1 1 84 84 ASP H H 1 8.433 0.02 . 1 . . . . 81 ASP HN . 15477 1 750 . 1 1 84 84 ASP HA H 1 4.956 0.02 . 1 . . . . 81 ASP HA . 15477 1 751 . 1 1 84 84 ASP HB2 H 1 2.242 0.02 . 2 . . . . 81 ASP HB2 . 15477 1 752 . 1 1 84 84 ASP HB3 H 1 2.433 0.02 . 2 . . . . 81 ASP HB3 . 15477 1 753 . 1 1 84 84 ASP C C 13 178.149 0.4 . 1 . . . . 81 ASP CO . 15477 1 754 . 1 1 84 84 ASP CA C 13 55.409 0.4 . 1 . . . . 81 ASP CA . 15477 1 755 . 1 1 84 84 ASP CB C 13 40.817 0.4 . 1 . . . . 81 ASP CB . 15477 1 756 . 1 1 84 84 ASP N N 15 121.789 0.1 . 1 . . . . 81 ASP N . 15477 1 757 . 1 1 85 85 LEU H H 1 9.244 0.02 . 1 . . . . 82 LEU HN . 15477 1 758 . 1 1 85 85 LEU HA H 1 3.308 0.02 . 1 . . . . 82 LEU HA . 15477 1 759 . 1 1 85 85 LEU HB2 H 1 1.475 0.02 . 2 . . . . 82 LEU HB2 . 15477 1 760 . 1 1 85 85 LEU HB3 H 1 1.845 0.02 . 2 . . . . 82 LEU HB3 . 15477 1 761 . 1 1 85 85 LEU HD21 H 1 0.63 0.02 . 2 . . . . 82 LEU HD2# . 15477 1 762 . 1 1 85 85 LEU HD22 H 1 0.63 0.02 . 2 . . . . 82 LEU HD2# . 15477 1 763 . 1 1 85 85 LEU HD23 H 1 0.63 0.02 . 2 . . . . 82 LEU HD2# . 15477 1 764 . 1 1 85 85 LEU HG H 1 0.948 0.02 . 1 . . . . 82 LEU HG . 15477 1 765 . 1 1 85 85 LEU C C 13 176.858 0.4 . 1 . . . . 82 LEU CO . 15477 1 766 . 1 1 85 85 LEU CA C 13 56.047 0.4 . 1 . . . . 82 LEU CA . 15477 1 767 . 1 1 85 85 LEU CB C 13 36.885 0.4 . 1 . . . . 82 LEU CB . 15477 1 768 . 1 1 85 85 LEU CD2 C 13 25.025 0.4 . 2 . . . . 82 LEU CD2 . 15477 1 769 . 1 1 85 85 LEU CG C 13 27.152 0.4 . 1 . . . . 82 LEU CG . 15477 1 770 . 1 1 85 85 LEU N N 15 114.422 0.1 . 1 . . . . 82 LEU N . 15477 1 771 . 1 1 86 86 CYS H H 1 8.005 0.02 . 1 . . . . 83 CYS HN . 15477 1 772 . 1 1 86 86 CYS HA H 1 4.547 0.02 . 1 . . . . 83 CYS HA . 15477 1 773 . 1 1 86 86 CYS HB2 H 1 3.531 0.02 . 1 . . . . 83 CYS HB# . 15477 1 774 . 1 1 86 86 CYS HB3 H 1 3.531 0.02 . 1 . . . . 83 CYS HB# . 15477 1 775 . 1 1 86 86 CYS C C 13 174.632 0.4 . 1 . . . . 83 CYS CO . 15477 1 776 . 1 1 86 86 CYS CA C 13 57.206 0.4 . 1 . . . . 83 CYS CA . 15477 1 777 . 1 1 86 86 CYS CB C 13 47.155 0.4 . 1 . . . . 83 CYS CB . 15477 1 778 . 1 1 86 86 CYS N N 15 112.558 0.1 . 1 . . . . 83 CYS N . 15477 1 779 . 1 1 87 87 ASN H H 1 8.859 0.02 . 1 . . . . 84 ASN HN . 15477 1 780 . 1 1 87 87 ASN HA H 1 4.526 0.02 . 1 . . . . 84 ASN HA . 15477 1 781 . 1 1 87 87 ASN HB2 H 1 2.303 0.02 . 2 . . . . 84 ASN HB2 . 15477 1 782 . 1 1 87 87 ASN HB3 H 1 3.154 0.02 . 2 . . . . 84 ASN HB3 . 15477 1 783 . 1 1 87 87 ASN C C 13 172.146 0.4 . 1 . . . . 84 ASN CO . 15477 1 784 . 1 1 87 87 ASN CA C 13 52.617 0.4 . 1 . . . . 84 ASN CA . 15477 1 785 . 1 1 87 87 ASN CB C 13 36.673 0.4 . 1 . . . . 84 ASN CB . 15477 1 786 . 1 1 87 87 ASN N N 15 119.985 0.1 . 1 . . . . 84 ASN N . 15477 1 787 . 1 1 88 88 ARG H H 1 7.353 0.02 . 1 . . . . 85 ARG HN . 15477 1 788 . 1 1 88 88 ARG HA H 1 3.734 0.02 . 1 . . . . 85 ARG HA . 15477 1 789 . 1 1 88 88 ARG HB2 H 1 1.624 0.02 . 2 . . . . 85 ARG HB2 . 15477 1 790 . 1 1 88 88 ARG HB3 H 1 1.71 0.02 . 2 . . . . 85 ARG HB3 . 15477 1 791 . 1 1 88 88 ARG HD2 H 1 3.115 0.02 . 1 . . . . 85 ARG HD# . 15477 1 792 . 1 1 88 88 ARG HD3 H 1 3.115 0.02 . 1 . . . . 85 ARG HD# . 15477 1 793 . 1 1 88 88 ARG HG2 H 1 1.278 0.02 . 2 . . . . 85 ARG HG2 . 15477 1 794 . 1 1 88 88 ARG HG3 H 1 1.463 0.02 . 2 . . . . 85 ARG HG3 . 15477 1 795 . 1 1 88 88 ARG C C 13 173.901 0.4 . 1 . . . . 85 ARG CO . 15477 1 796 . 1 1 88 88 ARG CA C 13 55.058 0.4 . 1 . . . . 85 ARG CA . 15477 1 797 . 1 1 88 88 ARG CB C 13 31.857 0.4 . 1 . . . . 85 ARG CB . 15477 1 798 . 1 1 88 88 ARG CD C 13 43.458 0.4 . 1 . . . . 85 ARG CD . 15477 1 799 . 1 1 88 88 ARG CG C 13 25.866 0.4 . 1 . . . . 85 ARG CG . 15477 1 800 . 1 1 88 88 ARG N N 15 118.446 0.1 . 1 . . . . 85 ARG N . 15477 1 801 . 1 1 89 89 SER H H 1 7.987 0.02 . 1 . . . . 86 SER HN . 15477 1 802 . 1 1 89 89 SER HA H 1 3.689 0.02 . 1 . . . . 86 SER HA . 15477 1 803 . 1 1 89 89 SER HB2 H 1 3.647 0.02 . 2 . . . . 86 SER HB2 . 15477 1 804 . 1 1 89 89 SER HB3 H 1 3.717 0.02 . 2 . . . . 86 SER HB3 . 15477 1 805 . 1 1 89 89 SER C C 13 174.342 0.4 . 1 . . . . 86 SER CO . 15477 1 806 . 1 1 89 89 SER CA C 13 57.844 0.4 . 1 . . . . 86 SER CA . 15477 1 807 . 1 1 89 89 SER CB C 13 63.504 0.4 . 1 . . . . 86 SER CB . 15477 1 808 . 1 1 89 89 SER N N 15 115.514 0.1 . 1 . . . . 86 SER N . 15477 1 809 . 1 1 90 90 GLU H H 1 8.461 0.02 . 1 . . . . 87 GLU HN . 15477 1 810 . 1 1 90 90 GLU HA H 1 4.125 0.02 . 1 . . . . 87 GLU HA . 15477 1 811 . 1 1 90 90 GLU HB2 H 1 1.839 0.02 . 2 . . . . 87 GLU HB2 . 15477 1 812 . 1 1 90 90 GLU HB3 H 1 2.026 0.02 . 2 . . . . 87 GLU HB3 . 15477 1 813 . 1 1 90 90 GLU HG2 H 1 2.14 0.02 . 1 . . . . 87 GLU HG# . 15477 1 814 . 1 1 90 90 GLU HG3 H 1 2.14 0.02 . 1 . . . . 87 GLU HG# . 15477 1 815 . 1 1 90 90 GLU C C 13 175.632 0.4 . 1 . . . . 87 GLU CO . 15477 1 816 . 1 1 90 90 GLU CA C 13 56.799 0.4 . 1 . . . . 87 GLU CA . 15477 1 817 . 1 1 90 90 GLU CB C 13 30.049 0.4 . 1 . . . . 87 GLU CB . 15477 1 818 . 1 1 90 90 GLU CG C 13 36.207 0.4 . 1 . . . . 87 GLU CG . 15477 1 819 . 1 1 90 90 GLU N N 15 122.917 0.1 . 1 . . . . 87 GLU N . 15477 1 820 . 1 1 91 91 GLN H H 1 7.868 0.02 . 1 . . . . 88 GLN HN . 15477 1 821 . 1 1 91 91 GLN HA H 1 4.047 0.02 . 1 . . . . 88 GLN HA . 15477 1 822 . 1 1 91 91 GLN HB2 H 1 1.827 0.02 . 2 . . . . 88 GLN HB2 . 15477 1 823 . 1 1 91 91 GLN HB3 H 1 2.021 0.02 . 2 . . . . 88 GLN HB3 . 15477 1 824 . 1 1 91 91 GLN HG2 H 1 2.215 0.02 . 1 . . . . 88 GLN HG# . 15477 1 825 . 1 1 91 91 GLN HG3 H 1 2.215 0.02 . 1 . . . . 88 GLN HG# . 15477 1 826 . 1 1 91 91 GLN C C 13 180.635 0.4 . 1 . . . . 88 GLN CO . 15477 1 827 . 1 1 91 91 GLN CA C 13 57.416 0.4 . 1 . . . . 88 GLN CA . 15477 1 828 . 1 1 91 91 GLN CB C 13 30.267 0.4 . 1 . . . . 88 GLN CB . 15477 1 829 . 1 1 91 91 GLN CG C 13 34.295 0.4 . 1 . . . . 88 GLN CG . 15477 1 830 . 1 1 91 91 GLN N N 15 125.447 0.1 . 1 . . . . 88 GLN N . 15477 1 stop_ save_