data_15370 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15370 _Entry.Title ; solution structure of the atypical PDZ-like domain of synbindin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-10 _Entry.Accession_date 2007-07-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.100 _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 Yingang Feng . . . 15370 2 Shilong Fan . . . 15370 3 Weimin Gong . . . 15370 4 Bin Xia . . . 15370 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' . 15370 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Protein Interaction' . 15370 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15370 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 328 15370 '15N chemical shifts' 76 15370 '1H chemical shifts' 505 15370 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 2 . . 2010-11-17 2007-07-10 update author 'update entry citation' 15370 1 . . 2009-04-24 2007-07-10 original author 'original release' 15370 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JSN 'BMRB Entry Tracking System' 15370 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15370 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 19200043 _Citation.Full_citation . _Citation.Title 'Solution Structure of Synbindin Atypical PDZ Domain and Interaction with Syndecan-2' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Pept. Lett.' _Citation.Journal_name_full 'Protein and Peptide Letters' _Citation.Journal_volume 16 _Citation.Journal_issue 2 _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 189 _Citation.Page_last 195 _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 Shilong Fan . . . 15370 1 2 Yingang Feng . . . 15370 1 3 Zhiyi Wei . . . 15370 1 4 Bin Xia . . . 15370 1 5 Weimin Gong . . . 15370 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15370 _Assembly.ID 1 _Assembly.Name 'apd monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'apd monomer' 1 $apd A . yes native no no . . . 15370 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_apd _Entity.Sf_category entity _Entity.Sf_framecode apd _Entity.Entry_ID 15370 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name apd _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 ; MGHHHHHHLDSYAPRAEAEK TFSYPLDLLLKLHDERVLVA FGQRDGIRVGHAVLAINGMD VNGRYTADGKEVLEYLGNPA NYPVSIRFGRPRLTSN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10825.348 _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 2J3T . "The Crystal Structure Of The Bet3-Trs33-Bet5-Trs23 Complex." . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 2 no PDB 2JSN . "Solution Structure Of The Atypical Pdz-Like Domain Of Synbindin" . . . . . 100.00 96 100.00 100.00 1.65e-62 . . . . 15370 1 3 no PDB 2ZMV . "Crystal Structure Of Synbindin" . . . . . 93.75 227 97.78 98.89 2.74e-55 . . . . 15370 1 4 no DBJ BAF83209 . "unnamed protein product [Homo sapiens]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 5 no EMBL CAH91561 . "hypothetical protein [Pongo abelii]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 6 no GB AAD34099 . "CGI-104 protein [Homo sapiens]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 7 no GB AAD44494 . "PTD009 [Homo sapiens]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 8 no GB AAF21897 . "unknown [Homo sapiens]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 9 no GB AAF29135 . "HSPC172 [Homo sapiens]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 10 no GB AAH10866 . "TRAPPC4 protein [Homo sapiens]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 11 no REF NP_001125918 . "trafficking protein particle complex subunit 4 [Pongo abelii]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 12 no REF NP_057230 . "trafficking protein particle complex subunit 4 [Homo sapiens]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 13 no REF XP_003253306 . "PREDICTED: trafficking protein particle complex subunit 4 isoform X1 [Nomascus leucogenys]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 14 no REF XP_003472832 . "PREDICTED: trafficking protein particle complex subunit 4 [Cavia porcellus]" . . . . . 90.63 219 97.70 100.00 1.11e-53 . . . . 15370 1 15 no REF XP_003820075 . "PREDICTED: trafficking protein particle complex subunit 4 [Pan paniscus]" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 16 no SP Q5R9J9 . "RecName: Full=Trafficking protein particle complex subunit 4" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 1 17 no SP Q9Y296 . "RecName: Full=Trafficking protein particle complex subunit 4; AltName: Full=Hematopoietic stem/progenitor cell protein 172; Alt" . . . . . 93.75 219 97.78 98.89 5.93e-56 . . . . 15370 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 . MET . 15370 1 2 . GLY . 15370 1 3 . HIS . 15370 1 4 . HIS . 15370 1 5 . HIS . 15370 1 6 . HIS . 15370 1 7 . HIS . 15370 1 8 . HIS . 15370 1 9 . LEU . 15370 1 10 . ASP . 15370 1 11 . SER . 15370 1 12 . TYR . 15370 1 13 . ALA . 15370 1 14 . PRO . 15370 1 15 . ARG . 15370 1 16 . ALA . 15370 1 17 . GLU . 15370 1 18 . ALA . 15370 1 19 . GLU . 15370 1 20 . LYS . 15370 1 21 . THR . 15370 1 22 . PHE . 15370 1 23 . SER . 15370 1 24 . TYR . 15370 1 25 . PRO . 15370 1 26 . LEU . 15370 1 27 . ASP . 15370 1 28 . LEU . 15370 1 29 . LEU . 15370 1 30 . LEU . 15370 1 31 . LYS . 15370 1 32 . LEU . 15370 1 33 . HIS . 15370 1 34 . ASP . 15370 1 35 . GLU . 15370 1 36 . ARG . 15370 1 37 . VAL . 15370 1 38 . LEU . 15370 1 39 . VAL . 15370 1 40 . ALA . 15370 1 41 . PHE . 15370 1 42 . GLY . 15370 1 43 . GLN . 15370 1 44 . ARG . 15370 1 45 . ASP . 15370 1 46 . GLY . 15370 1 47 . ILE . 15370 1 48 . ARG . 15370 1 49 . VAL . 15370 1 50 . GLY . 15370 1 51 . HIS . 15370 1 52 . ALA . 15370 1 53 . VAL . 15370 1 54 . LEU . 15370 1 55 . ALA . 15370 1 56 . ILE . 15370 1 57 . ASN . 15370 1 58 . GLY . 15370 1 59 . MET . 15370 1 60 . ASP . 15370 1 61 . VAL . 15370 1 62 . ASN . 15370 1 63 . GLY . 15370 1 64 . ARG . 15370 1 65 . TYR . 15370 1 66 . THR . 15370 1 67 . ALA . 15370 1 68 . ASP . 15370 1 69 . GLY . 15370 1 70 . LYS . 15370 1 71 . GLU . 15370 1 72 . VAL . 15370 1 73 . LEU . 15370 1 74 . GLU . 15370 1 75 . TYR . 15370 1 76 . LEU . 15370 1 77 . GLY . 15370 1 78 . ASN . 15370 1 79 . PRO . 15370 1 80 . ALA . 15370 1 81 . ASN . 15370 1 82 . TYR . 15370 1 83 . PRO . 15370 1 84 . VAL . 15370 1 85 . SER . 15370 1 86 . ILE . 15370 1 87 . ARG . 15370 1 88 . PHE . 15370 1 89 . GLY . 15370 1 90 . ARG . 15370 1 91 . PRO . 15370 1 92 . ARG . 15370 1 93 . LEU . 15370 1 94 . THR . 15370 1 95 . SER . 15370 1 96 . ASN . 15370 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 15370 1 . GLY 2 2 15370 1 . HIS 3 3 15370 1 . HIS 4 4 15370 1 . HIS 5 5 15370 1 . HIS 6 6 15370 1 . HIS 7 7 15370 1 . HIS 8 8 15370 1 . LEU 9 9 15370 1 . ASP 10 10 15370 1 . SER 11 11 15370 1 . TYR 12 12 15370 1 . ALA 13 13 15370 1 . PRO 14 14 15370 1 . ARG 15 15 15370 1 . ALA 16 16 15370 1 . GLU 17 17 15370 1 . ALA 18 18 15370 1 . GLU 19 19 15370 1 . LYS 20 20 15370 1 . THR 21 21 15370 1 . PHE 22 22 15370 1 . SER 23 23 15370 1 . TYR 24 24 15370 1 . PRO 25 25 15370 1 . LEU 26 26 15370 1 . ASP 27 27 15370 1 . LEU 28 28 15370 1 . LEU 29 29 15370 1 . LEU 30 30 15370 1 . LYS 31 31 15370 1 . LEU 32 32 15370 1 . HIS 33 33 15370 1 . ASP 34 34 15370 1 . GLU 35 35 15370 1 . ARG 36 36 15370 1 . VAL 37 37 15370 1 . LEU 38 38 15370 1 . VAL 39 39 15370 1 . ALA 40 40 15370 1 . PHE 41 41 15370 1 . GLY 42 42 15370 1 . GLN 43 43 15370 1 . ARG 44 44 15370 1 . ASP 45 45 15370 1 . GLY 46 46 15370 1 . ILE 47 47 15370 1 . ARG 48 48 15370 1 . VAL 49 49 15370 1 . GLY 50 50 15370 1 . HIS 51 51 15370 1 . ALA 52 52 15370 1 . VAL 53 53 15370 1 . LEU 54 54 15370 1 . ALA 55 55 15370 1 . ILE 56 56 15370 1 . ASN 57 57 15370 1 . GLY 58 58 15370 1 . MET 59 59 15370 1 . ASP 60 60 15370 1 . VAL 61 61 15370 1 . ASN 62 62 15370 1 . GLY 63 63 15370 1 . ARG 64 64 15370 1 . TYR 65 65 15370 1 . THR 66 66 15370 1 . ALA 67 67 15370 1 . ASP 68 68 15370 1 . GLY 69 69 15370 1 . LYS 70 70 15370 1 . GLU 71 71 15370 1 . VAL 72 72 15370 1 . LEU 73 73 15370 1 . GLU 74 74 15370 1 . TYR 75 75 15370 1 . LEU 76 76 15370 1 . GLY 77 77 15370 1 . ASN 78 78 15370 1 . PRO 79 79 15370 1 . ALA 80 80 15370 1 . ASN 81 81 15370 1 . TYR 82 82 15370 1 . PRO 83 83 15370 1 . VAL 84 84 15370 1 . SER 85 85 15370 1 . ILE 86 86 15370 1 . ARG 87 87 15370 1 . PHE 88 88 15370 1 . GLY 89 89 15370 1 . ARG 90 90 15370 1 . PRO 91 91 15370 1 . ARG 92 92 15370 1 . LEU 93 93 15370 1 . THR 94 94 15370 1 . SER 95 95 15370 1 . ASN 96 96 15370 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 15370 _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 $apd . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 15370 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 15370 _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 $apd . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28 . . . . . . 15370 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15370 _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 apd '[U-13C; U-15N]' . . 1 $apd . . . 1 1.5 mM 0.1 . . . 15370 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 15370 1 3 DSS 'natural abundance' . . . . . . 0.01 . . % . . . . 15370 1 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 15370 1 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 15370 _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' 0.05 . M 15370 1 pH 6.0 . pH 15370 1 pressure 1 . atm 15370 1 temperature 293 . K 15370 1 stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Software.Sf_category software _Software.Sf_framecode xwinnmr _Software.Entry_ID 15370 _Software.ID 1 _Software.Name xwinnmr _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 15370 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 15370 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15370 _Software.ID 2 _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' . . 15370 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15370 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15370 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15370 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15370 3 'peak picking' 15370 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15370 _Software.ID 4 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 15370 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 15370 4 stop_ save_ save_SANE _Software.Sf_category software _Software.Sf_framecode SANE _Software.Entry_ID 15370 _Software.ID 5 _Software.Name SANE _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Duggan, Legge, Dyson & Wright' . . 15370 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15370 5 stop_ save_ save_AMBER _Software.Sf_category software _Software.Sf_framecode AMBER _Software.Entry_ID 15370 _Software.ID 6 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Koll' . . 15370 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15370 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15370 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 15370 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 15370 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 15370 _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 . . . . . . . . . . . . . . . . 15370 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 9 '2D CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 10 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 11 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 12 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 14 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 1 15 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15370 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 15370 _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 . . . . . . . . . 15370 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15370 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15370 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 15370 _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' . . . 15370 1 2 '2D 1H-13C HSQC' . . . 15370 1 3 '3D CBCA(CO)NH' . . . 15370 1 4 '3D HNCACB' . . . 15370 1 5 '3D HNCA' . . . 15370 1 6 '3D HNCO' . . . 15370 1 7 '3D HCCH-TOCSY' . . . 15370 1 8 '3D HBHA(CO)NH' . . . 15370 1 9 '2D CB(CGCD)HD' . . . 15370 1 10 '3D HN(CA)CO' . . . 15370 1 11 '3D 1H-15N TOCSY' . . . 15370 1 12 '3D 1H-15N NOESY' . . . 15370 1 13 '3D 1H-13C NOESY' . . . 15370 1 14 '3D HCCH-COSY' . . . 15370 1 15 '3D CCH-TOCSY' . . . 15370 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 2 2 GLY H H 1 8.575 0.02 . 1 . . . . 2 GLY H . 15370 1 2 . 1 1 2 2 GLY HA3 H 1 3.941 0.02 . 2 . . . . 2 GLY HA3 . 15370 1 3 . 1 1 2 2 GLY CA C 13 45.109 0.3 . 1 . . . . 2 GLY CA . 15370 1 4 . 1 1 2 2 GLY N N 15 110.363 0.3 . 1 . . . . 2 GLY N . 15370 1 5 . 1 1 3 3 HIS H H 1 8.398 0.02 . 1 . . . . 3 HIS H . 15370 1 6 . 1 1 3 3 HIS HB3 H 1 3.065 0.02 . 2 . . . . 3 HIS HB3 . 15370 1 7 . 1 1 3 3 HIS CA C 13 55.958 0.3 . 1 . . . . 3 HIS CA . 15370 1 8 . 1 1 3 3 HIS CB C 13 29.588 0.3 . 1 . . . . 3 HIS CB . 15370 1 9 . 1 1 3 3 HIS N N 15 118.248 0.3 . 1 . . . . 3 HIS N . 15370 1 10 . 1 1 6 6 HIS HA H 1 4.637 0.02 . 1 . . . . 6 HIS HA . 15370 1 11 . 1 1 6 6 HIS HB3 H 1 3.099 0.02 . 2 . . . . 6 HIS HB3 . 15370 1 12 . 1 1 6 6 HIS CA C 13 55.805 0.3 . 1 . . . . 6 HIS CA . 15370 1 13 . 1 1 6 6 HIS CB C 13 29.866 0.3 . 1 . . . . 6 HIS CB . 15370 1 14 . 1 1 7 7 HIS H H 1 8.775 0.02 . 1 . . . . 7 HIS H . 15370 1 15 . 1 1 7 7 HIS HA H 1 4.639 0.02 . 1 . . . . 7 HIS HA . 15370 1 16 . 1 1 7 7 HIS HB2 H 1 3.174 0.02 . 2 . . . . 7 HIS HB2 . 15370 1 17 . 1 1 7 7 HIS HB3 H 1 3.174 0.02 . 2 . . . . 7 HIS HB3 . 15370 1 18 . 1 1 7 7 HIS CA C 13 55.959 0.3 . 1 . . . . 7 HIS CA . 15370 1 19 . 1 1 7 7 HIS CB C 13 29.834 0.3 . 1 . . . . 7 HIS CB . 15370 1 20 . 1 1 7 7 HIS N N 15 120.965 0.3 . 1 . . . . 7 HIS N . 15370 1 21 . 1 1 8 8 HIS H H 1 8.591 0.02 . 1 . . . . 8 HIS H . 15370 1 22 . 1 1 8 8 HIS HA H 1 4.447 0.02 . 1 . . . . 8 HIS HA . 15370 1 23 . 1 1 8 8 HIS HB2 H 1 2.045 0.02 . 2 . . . . 8 HIS HB2 . 15370 1 24 . 1 1 8 8 HIS HB3 H 1 2.045 0.02 . 2 . . . . 8 HIS HB3 . 15370 1 25 . 1 1 8 8 HIS CA C 13 56.009 0.3 . 1 . . . . 8 HIS CA . 15370 1 26 . 1 1 8 8 HIS CB C 13 32.890 0.3 . 1 . . . . 8 HIS CB . 15370 1 27 . 1 1 8 8 HIS N N 15 122.251 0.3 . 1 . . . . 8 HIS N . 15370 1 28 . 1 1 9 9 LEU H H 1 8.430 0.02 . 1 . . . . 9 LEU H . 15370 1 29 . 1 1 9 9 LEU HA H 1 4.359 0.02 . 1 . . . . 9 LEU HA . 15370 1 30 . 1 1 9 9 LEU HB2 H 1 1.622 0.02 . 2 . . . . 9 LEU HB2 . 15370 1 31 . 1 1 9 9 LEU HB3 H 1 1.622 0.02 . 2 . . . . 9 LEU HB3 . 15370 1 32 . 1 1 9 9 LEU HD11 H 1 0.865 0.02 . 2 . . . . 9 LEU HD1 . 15370 1 33 . 1 1 9 9 LEU HD12 H 1 0.865 0.02 . 2 . . . . 9 LEU HD1 . 15370 1 34 . 1 1 9 9 LEU HD13 H 1 0.865 0.02 . 2 . . . . 9 LEU HD1 . 15370 1 35 . 1 1 9 9 LEU HD21 H 1 0.924 0.02 . 2 . . . . 9 LEU HD2 . 15370 1 36 . 1 1 9 9 LEU HD22 H 1 0.924 0.02 . 2 . . . . 9 LEU HD2 . 15370 1 37 . 1 1 9 9 LEU HD23 H 1 0.924 0.02 . 2 . . . . 9 LEU HD2 . 15370 1 38 . 1 1 9 9 LEU HG H 1 1.628 0.02 . 1 . . . . 9 LEU HG . 15370 1 39 . 1 1 9 9 LEU C C 13 177.241 0.3 . 1 . . . . 9 LEU C . 15370 1 40 . 1 1 9 9 LEU CA C 13 55.395 0.3 . 1 . . . . 9 LEU CA . 15370 1 41 . 1 1 9 9 LEU CB C 13 42.317 0.3 . 1 . . . . 9 LEU CB . 15370 1 42 . 1 1 9 9 LEU CD1 C 13 23.490 0.3 . 2 . . . . 9 LEU CD1 . 15370 1 43 . 1 1 9 9 LEU CD2 C 13 24.912 0.3 . 2 . . . . 9 LEU CD2 . 15370 1 44 . 1 1 9 9 LEU CG C 13 27.118 0.3 . 1 . . . . 9 LEU CG . 15370 1 45 . 1 1 9 9 LEU N N 15 123.074 0.3 . 1 . . . . 9 LEU N . 15370 1 46 . 1 1 10 10 ASP H H 1 8.358 0.02 . 1 . . . . 10 ASP H . 15370 1 47 . 1 1 10 10 ASP HA H 1 4.606 0.02 . 1 . . . . 10 ASP HA . 15370 1 48 . 1 1 10 10 ASP HB2 H 1 2.681 0.02 . 2 . . . . 10 ASP HB2 . 15370 1 49 . 1 1 10 10 ASP HB3 H 1 2.681 0.02 . 2 . . . . 10 ASP HB3 . 15370 1 50 . 1 1 10 10 ASP C C 13 176.490 0.3 . 1 . . . . 10 ASP C . 15370 1 51 . 1 1 10 10 ASP CA C 13 54.541 0.3 . 1 . . . . 10 ASP CA . 15370 1 52 . 1 1 10 10 ASP CB C 13 41.244 0.3 . 1 . . . . 10 ASP CB . 15370 1 53 . 1 1 10 10 ASP N N 15 121.299 0.3 . 1 . . . . 10 ASP N . 15370 1 54 . 1 1 11 11 SER H H 1 8.212 0.02 . 1 . . . . 11 SER H . 15370 1 55 . 1 1 11 11 SER HA H 1 4.367 0.02 . 1 . . . . 11 SER HA . 15370 1 56 . 1 1 11 11 SER HB2 H 1 3.787 0.02 . 2 . . . . 11 SER HB2 . 15370 1 57 . 1 1 11 11 SER HB3 H 1 3.787 0.02 . 2 . . . . 11 SER HB3 . 15370 1 58 . 1 1 11 11 SER C C 13 174.210 0.3 . 1 . . . . 11 SER C . 15370 1 59 . 1 1 11 11 SER CA C 13 58.750 0.3 . 1 . . . . 11 SER CA . 15370 1 60 . 1 1 11 11 SER CB C 13 63.743 0.3 . 1 . . . . 11 SER CB . 15370 1 61 . 1 1 11 11 SER N N 15 115.863 0.3 . 1 . . . . 11 SER N . 15370 1 62 . 1 1 12 12 TYR H H 1 8.207 0.02 . 1 . . . . 12 TYR H . 15370 1 63 . 1 1 12 12 TYR HA H 1 4.562 0.02 . 1 . . . . 12 TYR HA . 15370 1 64 . 1 1 12 12 TYR HB2 H 1 3.077 0.02 . 2 . . . . 12 TYR HB2 . 15370 1 65 . 1 1 12 12 TYR HB3 H 1 2.958 0.02 . 2 . . . . 12 TYR HB3 . 15370 1 66 . 1 1 12 12 TYR HD1 H 1 7.114 0.02 . 1 . . . . 12 TYR HD1 . 15370 1 67 . 1 1 12 12 TYR HD2 H 1 7.114 0.02 . 1 . . . . 12 TYR HD2 . 15370 1 68 . 1 1 12 12 TYR HE1 H 1 6.818 0.02 . 1 . . . . 12 TYR HE1 . 15370 1 69 . 1 1 12 12 TYR HE2 H 1 6.818 0.02 . 1 . . . . 12 TYR HE2 . 15370 1 70 . 1 1 12 12 TYR C C 13 175.105 0.3 . 1 . . . . 12 TYR C . 15370 1 71 . 1 1 12 12 TYR CA C 13 57.994 0.3 . 1 . . . . 12 TYR CA . 15370 1 72 . 1 1 12 12 TYR CB C 13 38.821 0.3 . 1 . . . . 12 TYR CB . 15370 1 73 . 1 1 12 12 TYR CD1 C 13 133.326 0.3 . 1 . . . . 12 TYR CD1 . 15370 1 74 . 1 1 12 12 TYR CD2 C 13 133.326 0.3 . 1 . . . . 12 TYR CD2 . 15370 1 75 . 1 1 12 12 TYR CE1 C 13 118.224 0.3 . 1 . . . . 12 TYR CE1 . 15370 1 76 . 1 1 12 12 TYR CE2 C 13 118.224 0.3 . 1 . . . . 12 TYR CE2 . 15370 1 77 . 1 1 12 12 TYR N N 15 121.901 0.3 . 1 . . . . 12 TYR N . 15370 1 78 . 1 1 13 13 ALA H H 1 8.033 0.02 . 1 . . . . 13 ALA H . 15370 1 79 . 1 1 13 13 ALA HA H 1 4.552 0.02 . 1 . . . . 13 ALA HA . 15370 1 80 . 1 1 13 13 ALA HB1 H 1 1.327 0.02 . 1 . . . . 13 ALA HB . 15370 1 81 . 1 1 13 13 ALA HB2 H 1 1.327 0.02 . 1 . . . . 13 ALA HB . 15370 1 82 . 1 1 13 13 ALA HB3 H 1 1.327 0.02 . 1 . . . . 13 ALA HB . 15370 1 83 . 1 1 13 13 ALA C C 13 174.997 0.3 . 1 . . . . 13 ALA C . 15370 1 84 . 1 1 13 13 ALA CA C 13 50.585 0.3 . 1 . . . . 13 ALA CA . 15370 1 85 . 1 1 13 13 ALA CB C 13 18.488 0.3 . 1 . . . . 13 ALA CB . 15370 1 86 . 1 1 13 13 ALA N N 15 126.839 0.3 . 1 . . . . 13 ALA N . 15370 1 87 . 1 1 14 14 PRO HA H 1 4.390 0.02 . 1 . . . . 14 PRO HA . 15370 1 88 . 1 1 14 14 PRO HB2 H 1 2.283 0.02 . 2 . . . . 14 PRO HB2 . 15370 1 89 . 1 1 14 14 PRO HB3 H 1 1.878 0.02 . 2 . . . . 14 PRO HB3 . 15370 1 90 . 1 1 14 14 PRO HD2 H 1 3.664 0.02 . 2 . . . . 14 PRO HD2 . 15370 1 91 . 1 1 14 14 PRO HD3 H 1 3.604 0.02 . 2 . . . . 14 PRO HD3 . 15370 1 92 . 1 1 14 14 PRO HG2 H 1 2.011 0.02 . 2 . . . . 14 PRO HG2 . 15370 1 93 . 1 1 14 14 PRO HG3 H 1 2.011 0.02 . 2 . . . . 14 PRO HG3 . 15370 1 94 . 1 1 14 14 PRO C C 13 176.894 0.3 . 1 . . . . 14 PRO C . 15370 1 95 . 1 1 14 14 PRO CA C 13 63.199 0.3 . 1 . . . . 14 PRO CA . 15370 1 96 . 1 1 14 14 PRO CB C 13 32.210 0.3 . 1 . . . . 14 PRO CB . 15370 1 97 . 1 1 14 14 PRO CD C 13 50.578 0.3 . 1 . . . . 14 PRO CD . 15370 1 98 . 1 1 14 14 PRO CG C 13 27.496 0.3 . 1 . . . . 14 PRO CG . 15370 1 99 . 1 1 15 15 ARG H H 1 8.492 0.02 . 1 . . . . 15 ARG H . 15370 1 100 . 1 1 15 15 ARG HA H 1 4.357 0.02 . 1 . . . . 15 ARG HA . 15370 1 101 . 1 1 15 15 ARG HB2 H 1 1.897 0.02 . 2 . . . . 15 ARG HB2 . 15370 1 102 . 1 1 15 15 ARG HB3 H 1 1.801 0.02 . 2 . . . . 15 ARG HB3 . 15370 1 103 . 1 1 15 15 ARG HD3 H 1 3.211 0.02 . 2 . . . . 15 ARG HD3 . 15370 1 104 . 1 1 15 15 ARG C C 13 176.040 0.3 . 1 . . . . 15 ARG C . 15370 1 105 . 1 1 15 15 ARG CA C 13 56.029 0.3 . 1 . . . . 15 ARG CA . 15370 1 106 . 1 1 15 15 ARG CB C 13 31.097 0.3 . 1 . . . . 15 ARG CB . 15370 1 107 . 1 1 15 15 ARG CD C 13 43.424 0.3 . 1 . . . . 15 ARG CD . 15370 1 108 . 1 1 15 15 ARG N N 15 121.148 0.3 . 1 . . . . 15 ARG N . 15370 1 109 . 1 1 16 16 ALA H H 1 8.511 0.02 . 1 . . . . 16 ALA H . 15370 1 110 . 1 1 16 16 ALA HA H 1 4.352 0.02 . 1 . . . . 16 ALA HA . 15370 1 111 . 1 1 16 16 ALA HB1 H 1 1.420 0.02 . 1 . . . . 16 ALA HB . 15370 1 112 . 1 1 16 16 ALA HB2 H 1 1.420 0.02 . 1 . . . . 16 ALA HB . 15370 1 113 . 1 1 16 16 ALA HB3 H 1 1.420 0.02 . 1 . . . . 16 ALA HB . 15370 1 114 . 1 1 16 16 ALA C C 13 177.569 0.3 . 1 . . . . 16 ALA C . 15370 1 115 . 1 1 16 16 ALA CA C 13 52.771 0.3 . 1 . . . . 16 ALA CA . 15370 1 116 . 1 1 16 16 ALA CB C 13 19.291 0.3 . 1 . . . . 16 ALA CB . 15370 1 117 . 1 1 16 16 ALA N N 15 125.410 0.3 . 1 . . . . 16 ALA N . 15370 1 118 . 1 1 17 17 GLU H H 1 8.513 0.02 . 1 . . . . 17 GLU H . 15370 1 119 . 1 1 17 17 GLU HA H 1 4.681 0.02 . 1 . . . . 17 GLU HA . 15370 1 120 . 1 1 17 17 GLU HB2 H 1 2.129 0.02 . 2 . . . . 17 GLU HB2 . 15370 1 121 . 1 1 17 17 GLU HB3 H 1 1.910 0.02 . 2 . . . . 17 GLU HB3 . 15370 1 122 . 1 1 17 17 GLU HG2 H 1 2.313 0.02 . 2 . . . . 17 GLU HG2 . 15370 1 123 . 1 1 17 17 GLU HG3 H 1 2.313 0.02 . 2 . . . . 17 GLU HG3 . 15370 1 124 . 1 1 17 17 GLU C C 13 176.040 0.3 . 1 . . . . 17 GLU C . 15370 1 125 . 1 1 17 17 GLU CA C 13 56.240 0.3 . 1 . . . . 17 GLU CA . 15370 1 126 . 1 1 17 17 GLU CB C 13 31.430 0.3 . 1 . . . . 17 GLU CB . 15370 1 127 . 1 1 17 17 GLU CG C 13 36.488 0.3 . 1 . . . . 17 GLU CG . 15370 1 128 . 1 1 17 17 GLU N N 15 120.135 0.3 . 1 . . . . 17 GLU N . 15370 1 129 . 1 1 20 20 LYS HA H 1 4.642 0.02 . 1 . . . . 20 LYS HA . 15370 1 130 . 1 1 20 20 LYS HB2 H 1 1.812 0.02 . 2 . . . . 20 LYS HB2 . 15370 1 131 . 1 1 20 20 LYS HB3 H 1 1.716 0.02 . 2 . . . . 20 LYS HB3 . 15370 1 132 . 1 1 20 20 LYS C C 13 174.395 0.3 . 1 . . . . 20 LYS C . 15370 1 133 . 1 1 20 20 LYS CA C 13 55.041 0.3 . 1 . . . . 20 LYS CA . 15370 1 134 . 1 1 20 20 LYS CB C 13 36.603 0.3 . 1 . . . . 20 LYS CB . 15370 1 135 . 1 1 21 21 THR H H 1 8.278 0.02 . 1 . . . . 21 THR H . 15370 1 136 . 1 1 21 21 THR HA H 1 5.185 0.02 . 1 . . . . 21 THR HA . 15370 1 137 . 1 1 21 21 THR HB H 1 3.916 0.02 . 1 . . . . 21 THR HB . 15370 1 138 . 1 1 21 21 THR HG21 H 1 1.143 0.02 . 1 . . . . 21 THR HG2 . 15370 1 139 . 1 1 21 21 THR HG22 H 1 1.143 0.02 . 1 . . . . 21 THR HG2 . 15370 1 140 . 1 1 21 21 THR HG23 H 1 1.143 0.02 . 1 . . . . 21 THR HG2 . 15370 1 141 . 1 1 21 21 THR C C 13 174.123 0.3 . 1 . . . . 21 THR C . 15370 1 142 . 1 1 21 21 THR CA C 13 62.206 0.3 . 1 . . . . 21 THR CA . 15370 1 143 . 1 1 21 21 THR CB C 13 69.740 0.3 . 1 . . . . 21 THR CB . 15370 1 144 . 1 1 21 21 THR CG2 C 13 22.004 0.3 . 1 . . . . 21 THR CG2 . 15370 1 145 . 1 1 21 21 THR N N 15 118.285 0.3 . 1 . . . . 21 THR N . 15370 1 146 . 1 1 22 22 PHE H H 1 9.552 0.02 . 1 . . . . 22 PHE H . 15370 1 147 . 1 1 22 22 PHE HA H 1 4.934 0.02 . 1 . . . . 22 PHE HA . 15370 1 148 . 1 1 22 22 PHE HB2 H 1 3.596 0.02 . 2 . . . . 22 PHE HB2 . 15370 1 149 . 1 1 22 22 PHE HB3 H 1 2.961 0.02 . 2 . . . . 22 PHE HB3 . 15370 1 150 . 1 1 22 22 PHE HD1 H 1 7.620 0.02 . 1 . . . . 22 PHE HD1 . 15370 1 151 . 1 1 22 22 PHE HD2 H 1 7.620 0.02 . 1 . . . . 22 PHE HD2 . 15370 1 152 . 1 1 22 22 PHE HE1 H 1 7.446 0.02 . 1 . . . . 22 PHE HE1 . 15370 1 153 . 1 1 22 22 PHE HE2 H 1 7.446 0.02 . 1 . . . . 22 PHE HE2 . 15370 1 154 . 1 1 22 22 PHE HZ H 1 7.191 0.02 . 1 . . . . 22 PHE HZ . 15370 1 155 . 1 1 22 22 PHE CA C 13 57.809 0.3 . 1 . . . . 22 PHE CA . 15370 1 156 . 1 1 22 22 PHE CB C 13 43.018 0.3 . 1 . . . . 22 PHE CB . 15370 1 157 . 1 1 22 22 PHE CD1 C 13 133.563 0.3 . 1 . . . . 22 PHE CD1 . 15370 1 158 . 1 1 22 22 PHE CD2 C 13 133.563 0.3 . 1 . . . . 22 PHE CD2 . 15370 1 159 . 1 1 22 22 PHE CE1 C 13 131.365 0.3 . 1 . . . . 22 PHE CE1 . 15370 1 160 . 1 1 22 22 PHE CE2 C 13 131.365 0.3 . 1 . . . . 22 PHE CE2 . 15370 1 161 . 1 1 22 22 PHE CZ C 13 129.191 0.3 . 1 . . . . 22 PHE CZ . 15370 1 162 . 1 1 22 22 PHE N N 15 125.884 0.3 . 1 . . . . 22 PHE N . 15370 1 163 . 1 1 23 23 SER H H 1 8.489 0.02 . 1 . . . . 23 SER H . 15370 1 164 . 1 1 23 23 SER HA H 1 4.874 0.02 . 1 . . . . 23 SER HA . 15370 1 165 . 1 1 23 23 SER HB2 H 1 4.004 0.02 . 2 . . . . 23 SER HB2 . 15370 1 166 . 1 1 23 23 SER HB3 H 1 4.004 0.02 . 2 . . . . 23 SER HB3 . 15370 1 167 . 1 1 23 23 SER CA C 13 57.308 0.3 . 1 . . . . 23 SER CA . 15370 1 168 . 1 1 23 23 SER CB C 13 65.134 0.3 . 1 . . . . 23 SER CB . 15370 1 169 . 1 1 23 23 SER N N 15 116.064 0.3 . 1 . . . . 23 SER N . 15370 1 170 . 1 1 24 24 TYR H H 1 8.561 0.02 . 1 . . . . 24 TYR H . 15370 1 171 . 1 1 24 24 TYR HA H 1 3.787 0.02 . 1 . . . . 24 TYR HA . 15370 1 172 . 1 1 24 24 TYR HB2 H 1 2.582 0.02 . 2 . . . . 24 TYR HB2 . 15370 1 173 . 1 1 24 24 TYR HB3 H 1 2.582 0.02 . 2 . . . . 24 TYR HB3 . 15370 1 174 . 1 1 24 24 TYR HD1 H 1 6.425 0.02 . 1 . . . . 24 TYR HD1 . 15370 1 175 . 1 1 24 24 TYR HD2 H 1 6.425 0.02 . 1 . . . . 24 TYR HD2 . 15370 1 176 . 1 1 24 24 TYR HE1 H 1 6.658 0.02 . 1 . . . . 24 TYR HE1 . 15370 1 177 . 1 1 24 24 TYR HE2 H 1 6.658 0.02 . 1 . . . . 24 TYR HE2 . 15370 1 178 . 1 1 24 24 TYR CA C 13 55.942 0.3 . 1 . . . . 24 TYR CA . 15370 1 179 . 1 1 24 24 TYR CB C 13 39.190 0.3 . 1 . . . . 24 TYR CB . 15370 1 180 . 1 1 24 24 TYR CD1 C 13 133.512 0.3 . 1 . . . . 24 TYR CD1 . 15370 1 181 . 1 1 24 24 TYR CD2 C 13 133.512 0.3 . 1 . . . . 24 TYR CD2 . 15370 1 182 . 1 1 24 24 TYR CE1 C 13 118.361 0.3 . 1 . . . . 24 TYR CE1 . 15370 1 183 . 1 1 24 24 TYR CE2 C 13 118.361 0.3 . 1 . . . . 24 TYR CE2 . 15370 1 184 . 1 1 24 24 TYR N N 15 120.614 0.3 . 1 . . . . 24 TYR N . 15370 1 185 . 1 1 25 25 PRO HA H 1 3.195 0.02 . 1 . . . . 25 PRO HA . 15370 1 186 . 1 1 25 25 PRO HB2 H 1 1.177 0.02 . 2 . . . . 25 PRO HB2 . 15370 1 187 . 1 1 25 25 PRO HB3 H 1 1.613 0.02 . 2 . . . . 25 PRO HB3 . 15370 1 188 . 1 1 25 25 PRO HD2 H 1 3.437 0.02 . 2 . . . . 25 PRO HD2 . 15370 1 189 . 1 1 25 25 PRO HD3 H 1 3.210 0.02 . 2 . . . . 25 PRO HD3 . 15370 1 190 . 1 1 25 25 PRO HG2 H 1 1.600 0.02 . 2 . . . . 25 PRO HG2 . 15370 1 191 . 1 1 25 25 PRO HG3 H 1 1.600 0.02 . 2 . . . . 25 PRO HG3 . 15370 1 192 . 1 1 25 25 PRO CA C 13 61.641 0.3 . 1 . . . . 25 PRO CA . 15370 1 193 . 1 1 25 25 PRO CB C 13 33.950 0.3 . 1 . . . . 25 PRO CB . 15370 1 194 . 1 1 25 25 PRO CD C 13 49.968 0.3 . 1 . . . . 25 PRO CD . 15370 1 195 . 1 1 25 25 PRO CG C 13 23.920 0.3 . 1 . . . . 25 PRO CG . 15370 1 196 . 1 1 29 29 LEU HA H 1 4.651 0.02 . 1 . . . . 29 LEU HA . 15370 1 197 . 1 1 29 29 LEU HB2 H 1 1.841 0.02 . 2 . . . . 29 LEU HB2 . 15370 1 198 . 1 1 29 29 LEU HB3 H 1 1.662 0.02 . 2 . . . . 29 LEU HB3 . 15370 1 199 . 1 1 29 29 LEU C C 13 175.676 0.3 . 1 . . . . 29 LEU C . 15370 1 200 . 1 1 29 29 LEU CA C 13 54.443 0.3 . 1 . . . . 29 LEU CA . 15370 1 201 . 1 1 29 29 LEU CB C 13 43.096 0.3 . 1 . . . . 29 LEU CB . 15370 1 202 . 1 1 29 29 LEU CD1 C 13 24.198 0.3 . 2 . . . . 29 LEU CD1 . 15370 1 203 . 1 1 29 29 LEU CG C 13 27.445 0.3 . 1 . . . . 29 LEU CG . 15370 1 204 . 1 1 30 30 LEU H H 1 8.665 0.02 . 1 . . . . 30 LEU H . 15370 1 205 . 1 1 30 30 LEU HA H 1 5.369 0.02 . 1 . . . . 30 LEU HA . 15370 1 206 . 1 1 30 30 LEU HB2 H 1 1.678 0.02 . 2 . . . . 30 LEU HB2 . 15370 1 207 . 1 1 30 30 LEU HB3 H 1 1.125 0.02 . 2 . . . . 30 LEU HB3 . 15370 1 208 . 1 1 30 30 LEU HD11 H 1 0.683 0.02 . 2 . . . . 30 LEU HD1 . 15370 1 209 . 1 1 30 30 LEU HD12 H 1 0.683 0.02 . 2 . . . . 30 LEU HD1 . 15370 1 210 . 1 1 30 30 LEU HD13 H 1 0.683 0.02 . 2 . . . . 30 LEU HD1 . 15370 1 211 . 1 1 30 30 LEU HG H 1 0.686 0.02 . 1 . . . . 30 LEU HG . 15370 1 212 . 1 1 30 30 LEU C C 13 176.370 0.3 . 1 . . . . 30 LEU C . 15370 1 213 . 1 1 30 30 LEU CA C 13 53.005 0.3 . 1 . . . . 30 LEU CA . 15370 1 214 . 1 1 30 30 LEU CB C 13 43.867 0.3 . 1 . . . . 30 LEU CB . 15370 1 215 . 1 1 30 30 LEU CD1 C 13 23.567 0.3 . 2 . . . . 30 LEU CD1 . 15370 1 216 . 1 1 30 30 LEU CG C 13 26.523 0.3 . 1 . . . . 30 LEU CG . 15370 1 217 . 1 1 30 30 LEU N N 15 126.293 0.3 . 1 . . . . 30 LEU N . 15370 1 218 . 1 1 31 31 LYS H H 1 9.288 0.02 . 1 . . . . 31 LYS H . 15370 1 219 . 1 1 31 31 LYS HA H 1 4.664 0.02 . 1 . . . . 31 LYS HA . 15370 1 220 . 1 1 31 31 LYS HB2 H 1 1.714 0.02 . 2 . . . . 31 LYS HB2 . 15370 1 221 . 1 1 31 31 LYS HB3 H 1 1.714 0.02 . 2 . . . . 31 LYS HB3 . 15370 1 222 . 1 1 31 31 LYS HD2 H 1 1.663 0.02 . 2 . . . . 31 LYS HD2 . 15370 1 223 . 1 1 31 31 LYS HD3 H 1 1.663 0.02 . 2 . . . . 31 LYS HD3 . 15370 1 224 . 1 1 31 31 LYS HE2 H 1 2.883 0.02 . 2 . . . . 31 LYS HE2 . 15370 1 225 . 1 1 31 31 LYS HE3 H 1 2.883 0.02 . 2 . . . . 31 LYS HE3 . 15370 1 226 . 1 1 31 31 LYS HG2 H 1 1.230 0.02 . 2 . . . . 31 LYS HG2 . 15370 1 227 . 1 1 31 31 LYS HG3 H 1 1.303 0.02 . 2 . . . . 31 LYS HG3 . 15370 1 228 . 1 1 31 31 LYS C C 13 173.995 0.3 . 1 . . . . 31 LYS C . 15370 1 229 . 1 1 31 31 LYS CA C 13 54.758 0.3 . 1 . . . . 31 LYS CA . 15370 1 230 . 1 1 31 31 LYS CB C 13 37.173 0.3 . 1 . . . . 31 LYS CB . 15370 1 231 . 1 1 31 31 LYS CD C 13 29.279 0.3 . 1 . . . . 31 LYS CD . 15370 1 232 . 1 1 31 31 LYS CE C 13 42.247 0.3 . 1 . . . . 31 LYS CE . 15370 1 233 . 1 1 31 31 LYS CG C 13 24.645 0.3 . 1 . . . . 31 LYS CG . 15370 1 234 . 1 1 31 31 LYS N N 15 119.484 0.3 . 1 . . . . 31 LYS N . 15370 1 235 . 1 1 32 32 LEU H H 1 8.724 0.02 . 1 . . . . 32 LEU H . 15370 1 236 . 1 1 32 32 LEU HA H 1 4.972 0.02 . 1 . . . . 32 LEU HA . 15370 1 237 . 1 1 32 32 LEU HB2 H 1 1.686 0.02 . 2 . . . . 32 LEU HB2 . 15370 1 238 . 1 1 32 32 LEU HB3 H 1 1.430 0.02 . 2 . . . . 32 LEU HB3 . 15370 1 239 . 1 1 32 32 LEU HD11 H 1 0.724 0.02 . 2 . . . . 32 LEU HD1 . 15370 1 240 . 1 1 32 32 LEU HD12 H 1 0.724 0.02 . 2 . . . . 32 LEU HD1 . 15370 1 241 . 1 1 32 32 LEU HD13 H 1 0.724 0.02 . 2 . . . . 32 LEU HD1 . 15370 1 242 . 1 1 32 32 LEU HD21 H 1 0.794 0.02 . 2 . . . . 32 LEU HD2 . 15370 1 243 . 1 1 32 32 LEU HD22 H 1 0.794 0.02 . 2 . . . . 32 LEU HD2 . 15370 1 244 . 1 1 32 32 LEU HD23 H 1 0.794 0.02 . 2 . . . . 32 LEU HD2 . 15370 1 245 . 1 1 32 32 LEU HG H 1 0.790 0.02 . 1 . . . . 32 LEU HG . 15370 1 246 . 1 1 32 32 LEU C C 13 177.274 0.3 . 1 . . . . 32 LEU C . 15370 1 247 . 1 1 32 32 LEU CA C 13 54.494 0.3 . 1 . . . . 32 LEU CA . 15370 1 248 . 1 1 32 32 LEU CB C 13 43.119 0.3 . 1 . . . . 32 LEU CB . 15370 1 249 . 1 1 32 32 LEU CD1 C 13 24.401 0.3 . 2 . . . . 32 LEU CD1 . 15370 1 250 . 1 1 32 32 LEU CD2 C 13 25.256 0.3 . 2 . . . . 32 LEU CD2 . 15370 1 251 . 1 1 32 32 LEU CG C 13 27.307 0.3 . 1 . . . . 32 LEU CG . 15370 1 252 . 1 1 32 32 LEU N N 15 124.082 0.3 . 1 . . . . 32 LEU N . 15370 1 253 . 1 1 33 33 HIS H H 1 9.361 0.02 . 1 . . . . 33 HIS H . 15370 1 254 . 1 1 33 33 HIS HA H 1 4.698 0.02 . 1 . . . . 33 HIS HA . 15370 1 255 . 1 1 33 33 HIS HB2 H 1 3.025 0.02 . 2 . . . . 33 HIS HB2 . 15370 1 256 . 1 1 33 33 HIS HB3 H 1 2.892 0.02 . 2 . . . . 33 HIS HB3 . 15370 1 257 . 1 1 33 33 HIS C C 13 174.092 0.3 . 1 . . . . 33 HIS C . 15370 1 258 . 1 1 33 33 HIS CA C 13 56.497 0.3 . 1 . . . . 33 HIS CA . 15370 1 259 . 1 1 33 33 HIS CB C 13 32.274 0.3 . 1 . . . . 33 HIS CB . 15370 1 260 . 1 1 33 33 HIS N N 15 125.743 0.3 . 1 . . . . 33 HIS N . 15370 1 261 . 1 1 34 34 ASP H H 1 9.134 0.02 . 1 . . . . 34 ASP H . 15370 1 262 . 1 1 34 34 ASP HA H 1 4.146 0.02 . 1 . . . . 34 ASP HA . 15370 1 263 . 1 1 34 34 ASP HB2 H 1 2.856 0.02 . 2 . . . . 34 ASP HB2 . 15370 1 264 . 1 1 34 34 ASP HB3 H 1 2.392 0.02 . 2 . . . . 34 ASP HB3 . 15370 1 265 . 1 1 34 34 ASP C C 13 174.644 0.3 . 1 . . . . 34 ASP C . 15370 1 266 . 1 1 34 34 ASP CA C 13 55.976 0.3 . 1 . . . . 34 ASP CA . 15370 1 267 . 1 1 34 34 ASP CB C 13 39.179 0.3 . 1 . . . . 34 ASP CB . 15370 1 268 . 1 1 34 34 ASP N N 15 128.890 0.3 . 1 . . . . 34 ASP N . 15370 1 269 . 1 1 35 35 GLU H H 1 8.648 0.02 . 1 . . . . 35 GLU H . 15370 1 270 . 1 1 35 35 GLU HA H 1 3.681 0.02 . 1 . . . . 35 GLU HA . 15370 1 271 . 1 1 35 35 GLU HB2 H 1 2.381 0.02 . 2 . . . . 35 GLU HB2 . 15370 1 272 . 1 1 35 35 GLU HB3 H 1 2.179 0.02 . 2 . . . . 35 GLU HB3 . 15370 1 273 . 1 1 35 35 GLU HG2 H 1 2.356 0.02 . 2 . . . . 35 GLU HG2 . 15370 1 274 . 1 1 35 35 GLU HG3 H 1 2.145 0.02 . 2 . . . . 35 GLU HG3 . 15370 1 275 . 1 1 35 35 GLU C C 13 174.234 0.3 . 1 . . . . 35 GLU C . 15370 1 276 . 1 1 35 35 GLU CA C 13 57.346 0.3 . 1 . . . . 35 GLU CA . 15370 1 277 . 1 1 35 35 GLU CB C 13 27.735 0.3 . 1 . . . . 35 GLU CB . 15370 1 278 . 1 1 35 35 GLU CG C 13 36.416 0.3 . 1 . . . . 35 GLU CG . 15370 1 279 . 1 1 35 35 GLU N N 15 109.734 0.3 . 1 . . . . 35 GLU N . 15370 1 280 . 1 1 36 36 ARG H H 1 7.710 0.02 . 1 . . . . 36 ARG H . 15370 1 281 . 1 1 36 36 ARG HA H 1 4.515 0.02 . 1 . . . . 36 ARG HA . 15370 1 282 . 1 1 36 36 ARG HB2 H 1 1.883 0.02 . 2 . . . . 36 ARG HB2 . 15370 1 283 . 1 1 36 36 ARG HB3 H 1 1.715 0.02 . 2 . . . . 36 ARG HB3 . 15370 1 284 . 1 1 36 36 ARG HD3 H 1 3.219 0.02 . 2 . . . . 36 ARG HD3 . 15370 1 285 . 1 1 36 36 ARG C C 13 174.063 0.3 . 1 . . . . 36 ARG C . 15370 1 286 . 1 1 36 36 ARG CA C 13 54.212 0.3 . 1 . . . . 36 ARG CA . 15370 1 287 . 1 1 36 36 ARG CB C 13 33.371 0.3 . 1 . . . . 36 ARG CB . 15370 1 288 . 1 1 36 36 ARG CD C 13 43.586 0.3 . 1 . . . . 36 ARG CD . 15370 1 289 . 1 1 36 36 ARG N N 15 116.091 0.3 . 1 . . . . 36 ARG N . 15370 1 290 . 1 1 37 37 VAL H H 1 8.803 0.02 . 1 . . . . 37 VAL H . 15370 1 291 . 1 1 37 37 VAL HA H 1 4.375 0.02 . 1 . . . . 37 VAL HA . 15370 1 292 . 1 1 37 37 VAL HB H 1 2.002 0.02 . 1 . . . . 37 VAL HB . 15370 1 293 . 1 1 37 37 VAL HG11 H 1 0.814 0.02 . 2 . . . . 37 VAL HG1 . 15370 1 294 . 1 1 37 37 VAL HG12 H 1 0.814 0.02 . 2 . . . . 37 VAL HG1 . 15370 1 295 . 1 1 37 37 VAL HG13 H 1 0.814 0.02 . 2 . . . . 37 VAL HG1 . 15370 1 296 . 1 1 37 37 VAL HG21 H 1 0.799 0.02 . 2 . . . . 37 VAL HG2 . 15370 1 297 . 1 1 37 37 VAL HG22 H 1 0.799 0.02 . 2 . . . . 37 VAL HG2 . 15370 1 298 . 1 1 37 37 VAL HG23 H 1 0.799 0.02 . 2 . . . . 37 VAL HG2 . 15370 1 299 . 1 1 37 37 VAL C C 13 174.388 0.3 . 1 . . . . 37 VAL C . 15370 1 300 . 1 1 37 37 VAL CA C 13 62.620 0.3 . 1 . . . . 37 VAL CA . 15370 1 301 . 1 1 37 37 VAL CB C 13 31.484 0.3 . 1 . . . . 37 VAL CB . 15370 1 302 . 1 1 37 37 VAL CG1 C 13 21.335 0.3 . 2 . . . . 37 VAL CG1 . 15370 1 303 . 1 1 37 37 VAL CG2 C 13 24.183 0.3 . 2 . . . . 37 VAL CG2 . 15370 1 304 . 1 1 37 37 VAL N N 15 122.430 0.3 . 1 . . . . 37 VAL N . 15370 1 305 . 1 1 38 38 LEU H H 1 8.966 0.02 . 1 . . . . 38 LEU H . 15370 1 306 . 1 1 38 38 LEU HA H 1 5.495 0.02 . 1 . . . . 38 LEU HA . 15370 1 307 . 1 1 38 38 LEU HB2 H 1 1.630 0.02 . 2 . . . . 38 LEU HB2 . 15370 1 308 . 1 1 38 38 LEU HB3 H 1 1.293 0.02 . 2 . . . . 38 LEU HB3 . 15370 1 309 . 1 1 38 38 LEU HD11 H 1 0.889 0.02 . 2 . . . . 38 LEU HD1 . 15370 1 310 . 1 1 38 38 LEU HD12 H 1 0.889 0.02 . 2 . . . . 38 LEU HD1 . 15370 1 311 . 1 1 38 38 LEU HD13 H 1 0.889 0.02 . 2 . . . . 38 LEU HD1 . 15370 1 312 . 1 1 38 38 LEU HD21 H 1 0.831 0.02 . 2 . . . . 38 LEU HD2 . 15370 1 313 . 1 1 38 38 LEU HD22 H 1 0.831 0.02 . 2 . . . . 38 LEU HD2 . 15370 1 314 . 1 1 38 38 LEU HD23 H 1 0.831 0.02 . 2 . . . . 38 LEU HD2 . 15370 1 315 . 1 1 38 38 LEU HG H 1 1.733 0.02 . 1 . . . . 38 LEU HG . 15370 1 316 . 1 1 38 38 LEU C C 13 177.365 0.3 . 1 . . . . 38 LEU C . 15370 1 317 . 1 1 38 38 LEU CA C 13 52.624 0.3 . 1 . . . . 38 LEU CA . 15370 1 318 . 1 1 38 38 LEU CB C 13 46.189 0.3 . 1 . . . . 38 LEU CB . 15370 1 319 . 1 1 38 38 LEU CD1 C 13 26.225 0.3 . 2 . . . . 38 LEU CD1 . 15370 1 320 . 1 1 38 38 LEU CD2 C 13 23.802 0.3 . 2 . . . . 38 LEU CD2 . 15370 1 321 . 1 1 38 38 LEU CG C 13 27.235 0.3 . 1 . . . . 38 LEU CG . 15370 1 322 . 1 1 38 38 LEU N N 15 125.739 0.3 . 1 . . . . 38 LEU N . 15370 1 323 . 1 1 39 39 VAL H H 1 8.899 0.02 . 1 . . . . 39 VAL H . 15370 1 324 . 1 1 39 39 VAL HA H 1 4.006 0.02 . 1 . . . . 39 VAL HA . 15370 1 325 . 1 1 39 39 VAL HB H 1 2.245 0.02 . 1 . . . . 39 VAL HB . 15370 1 326 . 1 1 39 39 VAL HG11 H 1 0.741 0.02 . 2 . . . . 39 VAL HG1 . 15370 1 327 . 1 1 39 39 VAL HG12 H 1 0.741 0.02 . 2 . . . . 39 VAL HG1 . 15370 1 328 . 1 1 39 39 VAL HG13 H 1 0.741 0.02 . 2 . . . . 39 VAL HG1 . 15370 1 329 . 1 1 39 39 VAL HG21 H 1 0.602 0.02 . 2 . . . . 39 VAL HG2 . 15370 1 330 . 1 1 39 39 VAL HG22 H 1 0.602 0.02 . 2 . . . . 39 VAL HG2 . 15370 1 331 . 1 1 39 39 VAL HG23 H 1 0.602 0.02 . 2 . . . . 39 VAL HG2 . 15370 1 332 . 1 1 39 39 VAL C C 13 176.380 0.3 . 1 . . . . 39 VAL C . 15370 1 333 . 1 1 39 39 VAL CA C 13 63.763 0.3 . 1 . . . . 39 VAL CA . 15370 1 334 . 1 1 39 39 VAL CB C 13 31.629 0.3 . 1 . . . . 39 VAL CB . 15370 1 335 . 1 1 39 39 VAL CG1 C 13 22.309 0.3 . 2 . . . . 39 VAL CG1 . 15370 1 336 . 1 1 39 39 VAL CG2 C 13 22.309 0.3 . 2 . . . . 39 VAL CG2 . 15370 1 337 . 1 1 39 39 VAL N N 15 119.125 0.3 . 1 . . . . 39 VAL N . 15370 1 338 . 1 1 40 40 ALA H H 1 9.755 0.02 . 1 . . . . 40 ALA H . 15370 1 339 . 1 1 40 40 ALA HA H 1 4.533 0.02 . 1 . . . . 40 ALA HA . 15370 1 340 . 1 1 40 40 ALA HB1 H 1 1.309 0.02 . 1 . . . . 40 ALA HB . 15370 1 341 . 1 1 40 40 ALA HB2 H 1 1.309 0.02 . 1 . . . . 40 ALA HB . 15370 1 342 . 1 1 40 40 ALA HB3 H 1 1.309 0.02 . 1 . . . . 40 ALA HB . 15370 1 343 . 1 1 40 40 ALA C C 13 176.636 0.3 . 1 . . . . 40 ALA C . 15370 1 344 . 1 1 40 40 ALA CA C 13 52.536 0.3 . 1 . . . . 40 ALA CA . 15370 1 345 . 1 1 40 40 ALA CB C 13 20.860 0.3 . 1 . . . . 40 ALA CB . 15370 1 346 . 1 1 40 40 ALA N N 15 133.618 0.3 . 1 . . . . 40 ALA N . 15370 1 347 . 1 1 41 41 PHE H H 1 7.761 0.02 . 1 . . . . 41 PHE H . 15370 1 348 . 1 1 41 41 PHE HA H 1 4.299 0.02 . 1 . . . . 41 PHE HA . 15370 1 349 . 1 1 41 41 PHE HB2 H 1 3.204 0.02 . 2 . . . . 41 PHE HB2 . 15370 1 350 . 1 1 41 41 PHE HB3 H 1 2.812 0.02 . 2 . . . . 41 PHE HB3 . 15370 1 351 . 1 1 41 41 PHE HD1 H 1 7.260 0.02 . 1 . . . . 41 PHE HD1 . 15370 1 352 . 1 1 41 41 PHE HD2 H 1 7.260 0.02 . 1 . . . . 41 PHE HD2 . 15370 1 353 . 1 1 41 41 PHE C C 13 172.990 0.3 . 1 . . . . 41 PHE C . 15370 1 354 . 1 1 41 41 PHE CA C 13 59.306 0.3 . 1 . . . . 41 PHE CA . 15370 1 355 . 1 1 41 41 PHE CB C 13 42.621 0.3 . 1 . . . . 41 PHE CB . 15370 1 356 . 1 1 41 41 PHE CD1 C 13 131.815 0.3 . 1 . . . . 41 PHE CD1 . 15370 1 357 . 1 1 41 41 PHE CD2 C 13 131.815 0.3 . 1 . . . . 41 PHE CD2 . 15370 1 358 . 1 1 41 41 PHE N N 15 117.497 0.3 . 1 . . . . 41 PHE N . 15370 1 359 . 1 1 42 42 GLY H H 1 7.709 0.02 . 1 . . . . 42 GLY H . 15370 1 360 . 1 1 42 42 GLY HA2 H 1 4.190 0.02 . 2 . . . . 42 GLY HA2 . 15370 1 361 . 1 1 42 42 GLY HA3 H 1 3.327 0.02 . 2 . . . . 42 GLY HA3 . 15370 1 362 . 1 1 42 42 GLY C C 13 171.542 0.3 . 1 . . . . 42 GLY C . 15370 1 363 . 1 1 42 42 GLY CA C 13 44.310 0.3 . 1 . . . . 42 GLY CA . 15370 1 364 . 1 1 42 42 GLY N N 15 114.790 0.3 . 1 . . . . 42 GLY N . 15370 1 365 . 1 1 43 43 GLN HA H 1 4.366 0.02 . 1 . . . . 43 GLN HA . 15370 1 366 . 1 1 43 43 GLN HB2 H 1 1.968 0.02 . 2 . . . . 43 GLN HB2 . 15370 1 367 . 1 1 43 43 GLN HB3 H 1 1.968 0.02 . 2 . . . . 43 GLN HB3 . 15370 1 368 . 1 1 43 43 GLN HE21 H 1 7.519 0.02 . 2 . . . . 43 GLN HE21 . 15370 1 369 . 1 1 43 43 GLN HE22 H 1 6.821 0.02 . 2 . . . . 43 GLN HE22 . 15370 1 370 . 1 1 43 43 GLN HG2 H 1 2.248 0.02 . 2 . . . . 43 GLN HG2 . 15370 1 371 . 1 1 43 43 GLN HG3 H 1 2.248 0.02 . 2 . . . . 43 GLN HG3 . 15370 1 372 . 1 1 43 43 GLN CA C 13 55.207 0.3 . 1 . . . . 43 GLN CA . 15370 1 373 . 1 1 43 43 GLN CB C 13 30.347 0.3 . 1 . . . . 43 GLN CB . 15370 1 374 . 1 1 43 43 GLN CG C 13 32.984 0.3 . 1 . . . . 43 GLN CG . 15370 1 375 . 1 1 43 43 GLN NE2 N 15 111.648 0.3 . 1 . . . . 43 GLN NE2 . 15370 1 376 . 1 1 49 49 VAL HA H 1 3.386 0.02 . 1 . . . . 49 VAL HA . 15370 1 377 . 1 1 49 49 VAL HB H 1 1.825 0.02 . 1 . . . . 49 VAL HB . 15370 1 378 . 1 1 49 49 VAL HG11 H 1 0.886 0.02 . 2 . . . . 49 VAL HG1 . 15370 1 379 . 1 1 49 49 VAL HG12 H 1 0.886 0.02 . 2 . . . . 49 VAL HG1 . 15370 1 380 . 1 1 49 49 VAL HG13 H 1 0.886 0.02 . 2 . . . . 49 VAL HG1 . 15370 1 381 . 1 1 49 49 VAL HG21 H 1 0.898 0.02 . 2 . . . . 49 VAL HG2 . 15370 1 382 . 1 1 49 49 VAL HG22 H 1 0.898 0.02 . 2 . . . . 49 VAL HG2 . 15370 1 383 . 1 1 49 49 VAL HG23 H 1 0.898 0.02 . 2 . . . . 49 VAL HG2 . 15370 1 384 . 1 1 49 49 VAL C C 13 177.680 0.3 . 1 . . . . 49 VAL C . 15370 1 385 . 1 1 49 49 VAL CA C 13 64.730 0.3 . 1 . . . . 49 VAL CA . 15370 1 386 . 1 1 49 49 VAL CB C 13 31.489 0.3 . 1 . . . . 49 VAL CB . 15370 1 387 . 1 1 49 49 VAL CG1 C 13 22.484 0.3 . 2 . . . . 49 VAL CG1 . 15370 1 388 . 1 1 49 49 VAL CG2 C 13 20.816 0.3 . 2 . . . . 49 VAL CG2 . 15370 1 389 . 1 1 50 50 GLY H H 1 9.040 0.02 . 1 . . . . 50 GLY H . 15370 1 390 . 1 1 50 50 GLY HA2 H 1 4.505 0.02 . 2 . . . . 50 GLY HA2 . 15370 1 391 . 1 1 50 50 GLY HA3 H 1 3.562 0.02 . 2 . . . . 50 GLY HA3 . 15370 1 392 . 1 1 50 50 GLY C C 13 175.034 0.3 . 1 . . . . 50 GLY C . 15370 1 393 . 1 1 50 50 GLY CA C 13 44.901 0.3 . 1 . . . . 50 GLY CA . 15370 1 394 . 1 1 50 50 GLY N N 15 115.994 0.3 . 1 . . . . 50 GLY N . 15370 1 395 . 1 1 51 51 HIS H H 1 8.228 0.02 . 1 . . . . 51 HIS H . 15370 1 396 . 1 1 51 51 HIS HA H 1 4.614 0.02 . 1 . . . . 51 HIS HA . 15370 1 397 . 1 1 51 51 HIS HB2 H 1 3.445 0.02 . 2 . . . . 51 HIS HB2 . 15370 1 398 . 1 1 51 51 HIS HB3 H 1 3.066 0.02 . 2 . . . . 51 HIS HB3 . 15370 1 399 . 1 1 51 51 HIS HD2 H 1 6.817 0.02 . 1 . . . . 51 HIS HD2 . 15370 1 400 . 1 1 51 51 HIS C C 13 174.681 0.3 . 1 . . . . 51 HIS C . 15370 1 401 . 1 1 51 51 HIS CA C 13 57.434 0.3 . 1 . . . . 51 HIS CA . 15370 1 402 . 1 1 51 51 HIS CB C 13 32.934 0.3 . 1 . . . . 51 HIS CB . 15370 1 403 . 1 1 51 51 HIS CD2 C 13 115.484 0.3 . 1 . . . . 51 HIS CD2 . 15370 1 404 . 1 1 51 51 HIS N N 15 120.280 0.3 . 1 . . . . 51 HIS N . 15370 1 405 . 1 1 52 52 ALA H H 1 9.229 0.02 . 1 . . . . 52 ALA H . 15370 1 406 . 1 1 52 52 ALA HA H 1 5.587 0.02 . 1 . . . . 52 ALA HA . 15370 1 407 . 1 1 52 52 ALA HB1 H 1 1.319 0.02 . 1 . . . . 52 ALA HB . 15370 1 408 . 1 1 52 52 ALA HB2 H 1 1.319 0.02 . 1 . . . . 52 ALA HB . 15370 1 409 . 1 1 52 52 ALA HB3 H 1 1.319 0.02 . 1 . . . . 52 ALA HB . 15370 1 410 . 1 1 52 52 ALA C C 13 177.988 0.3 . 1 . . . . 52 ALA C . 15370 1 411 . 1 1 52 52 ALA CA C 13 50.053 0.3 . 1 . . . . 52 ALA CA . 15370 1 412 . 1 1 52 52 ALA CB C 13 22.023 0.3 . 1 . . . . 52 ALA CB . 15370 1 413 . 1 1 52 52 ALA N N 15 121.598 0.3 . 1 . . . . 52 ALA N . 15370 1 414 . 1 1 53 53 VAL HA H 1 3.473 0.02 . 1 . . . . 53 VAL HA . 15370 1 415 . 1 1 53 53 VAL HB H 1 1.961 0.02 . 1 . . . . 53 VAL HB . 15370 1 416 . 1 1 53 53 VAL HG11 H 1 0.740 0.02 . 2 . . . . 53 VAL HG1 . 15370 1 417 . 1 1 53 53 VAL HG12 H 1 0.740 0.02 . 2 . . . . 53 VAL HG1 . 15370 1 418 . 1 1 53 53 VAL HG13 H 1 0.740 0.02 . 2 . . . . 53 VAL HG1 . 15370 1 419 . 1 1 53 53 VAL HG21 H 1 0.599 0.02 . 2 . . . . 53 VAL HG2 . 15370 1 420 . 1 1 53 53 VAL HG22 H 1 0.599 0.02 . 2 . . . . 53 VAL HG2 . 15370 1 421 . 1 1 53 53 VAL HG23 H 1 0.599 0.02 . 2 . . . . 53 VAL HG2 . 15370 1 422 . 1 1 53 53 VAL C C 13 175.227 0.3 . 1 . . . . 53 VAL C . 15370 1 423 . 1 1 53 53 VAL CA C 13 63.914 0.3 . 1 . . . . 53 VAL CA . 15370 1 424 . 1 1 53 53 VAL CB C 13 32.339 0.3 . 1 . . . . 53 VAL CB . 15370 1 425 . 1 1 53 53 VAL CG1 C 13 22.344 0.3 . 2 . . . . 53 VAL CG1 . 15370 1 426 . 1 1 53 53 VAL CG2 C 13 21.313 0.3 . 2 . . . . 53 VAL CG2 . 15370 1 427 . 1 1 54 54 LEU H H 1 9.067 0.02 . 1 . . . . 54 LEU H . 15370 1 428 . 1 1 54 54 LEU HA H 1 4.599 0.02 . 1 . . . . 54 LEU HA . 15370 1 429 . 1 1 54 54 LEU HB2 H 1 1.514 0.02 . 2 . . . . 54 LEU HB2 . 15370 1 430 . 1 1 54 54 LEU HB3 H 1 1.288 0.02 . 2 . . . . 54 LEU HB3 . 15370 1 431 . 1 1 54 54 LEU HD21 H 1 0.740 0.02 . 2 . . . . 54 LEU HD2 . 15370 1 432 . 1 1 54 54 LEU HD22 H 1 0.740 0.02 . 2 . . . . 54 LEU HD2 . 15370 1 433 . 1 1 54 54 LEU HD23 H 1 0.740 0.02 . 2 . . . . 54 LEU HD2 . 15370 1 434 . 1 1 54 54 LEU C C 13 178.208 0.3 . 1 . . . . 54 LEU C . 15370 1 435 . 1 1 54 54 LEU CA C 13 55.084 0.3 . 1 . . . . 54 LEU CA . 15370 1 436 . 1 1 54 54 LEU CB C 13 43.490 0.3 . 1 . . . . 54 LEU CB . 15370 1 437 . 1 1 54 54 LEU CD1 C 13 25.721 0.3 . 2 . . . . 54 LEU CD1 . 15370 1 438 . 1 1 54 54 LEU CD2 C 13 22.200 0.3 . 2 . . . . 54 LEU CD2 . 15370 1 439 . 1 1 54 54 LEU N N 15 126.184 0.3 . 1 . . . . 54 LEU N . 15370 1 440 . 1 1 55 55 ALA H H 1 7.665 0.02 . 1 . . . . 55 ALA H . 15370 1 441 . 1 1 55 55 ALA HA H 1 4.889 0.02 . 1 . . . . 55 ALA HA . 15370 1 442 . 1 1 55 55 ALA HB1 H 1 1.163 0.02 . 1 . . . . 55 ALA HB . 15370 1 443 . 1 1 55 55 ALA HB2 H 1 1.163 0.02 . 1 . . . . 55 ALA HB . 15370 1 444 . 1 1 55 55 ALA HB3 H 1 1.163 0.02 . 1 . . . . 55 ALA HB . 15370 1 445 . 1 1 55 55 ALA C C 13 175.085 0.3 . 1 . . . . 55 ALA C . 15370 1 446 . 1 1 55 55 ALA CA C 13 52.600 0.3 . 1 . . . . 55 ALA CA . 15370 1 447 . 1 1 55 55 ALA CB C 13 21.847 0.3 . 1 . . . . 55 ALA CB . 15370 1 448 . 1 1 55 55 ALA N N 15 119.807 0.3 . 1 . . . . 55 ALA N . 15370 1 449 . 1 1 56 56 ILE H H 1 8.209 0.02 . 1 . . . . 56 ILE H . 15370 1 450 . 1 1 56 56 ILE HA H 1 4.643 0.02 . 1 . . . . 56 ILE HA . 15370 1 451 . 1 1 56 56 ILE HB H 1 1.418 0.02 . 1 . . . . 56 ILE HB . 15370 1 452 . 1 1 56 56 ILE HD11 H 1 0.621 0.02 . 1 . . . . 56 ILE HD1 . 15370 1 453 . 1 1 56 56 ILE HD12 H 1 0.621 0.02 . 1 . . . . 56 ILE HD1 . 15370 1 454 . 1 1 56 56 ILE HD13 H 1 0.621 0.02 . 1 . . . . 56 ILE HD1 . 15370 1 455 . 1 1 56 56 ILE HG12 H 1 1.243 0.02 . 2 . . . . 56 ILE HG12 . 15370 1 456 . 1 1 56 56 ILE HG13 H 1 0.762 0.02 . 2 . . . . 56 ILE HG13 . 15370 1 457 . 1 1 56 56 ILE HG21 H 1 0.682 0.02 . 1 . . . . 56 ILE HG2 . 15370 1 458 . 1 1 56 56 ILE HG22 H 1 0.682 0.02 . 1 . . . . 56 ILE HG2 . 15370 1 459 . 1 1 56 56 ILE HG23 H 1 0.682 0.02 . 1 . . . . 56 ILE HG2 . 15370 1 460 . 1 1 56 56 ILE C C 13 176.001 0.3 . 1 . . . . 56 ILE C . 15370 1 461 . 1 1 56 56 ILE CA C 13 59.817 0.3 . 1 . . . . 56 ILE CA . 15370 1 462 . 1 1 56 56 ILE CB C 13 41.035 0.3 . 1 . . . . 56 ILE CB . 15370 1 463 . 1 1 56 56 ILE CD1 C 13 14.420 0.3 . 1 . . . . 56 ILE CD1 . 15370 1 464 . 1 1 56 56 ILE CG1 C 13 27.777 0.3 . 1 . . . . 56 ILE CG1 . 15370 1 465 . 1 1 56 56 ILE CG2 C 13 17.612 0.3 . 1 . . . . 56 ILE CG2 . 15370 1 466 . 1 1 56 56 ILE N N 15 119.114 0.3 . 1 . . . . 56 ILE N . 15370 1 467 . 1 1 57 57 ASN H H 1 10.090 0.02 . 1 . . . . 57 ASN H . 15370 1 468 . 1 1 57 57 ASN HA H 1 4.523 0.02 . 1 . . . . 57 ASN HA . 15370 1 469 . 1 1 57 57 ASN HB2 H 1 3.110 0.02 . 2 . . . . 57 ASN HB2 . 15370 1 470 . 1 1 57 57 ASN HB3 H 1 2.896 0.02 . 2 . . . . 57 ASN HB3 . 15370 1 471 . 1 1 57 57 ASN HD21 H 1 7.465 0.02 . 2 . . . . 57 ASN HD21 . 15370 1 472 . 1 1 57 57 ASN HD22 H 1 7.754 0.02 . 2 . . . . 57 ASN HD22 . 15370 1 473 . 1 1 57 57 ASN C C 13 175.371 0.3 . 1 . . . . 57 ASN C . 15370 1 474 . 1 1 57 57 ASN CA C 13 54.161 0.3 . 1 . . . . 57 ASN CA . 15370 1 475 . 1 1 57 57 ASN CB C 13 36.953 0.3 . 1 . . . . 57 ASN CB . 15370 1 476 . 1 1 57 57 ASN N N 15 128.487 0.3 . 1 . . . . 57 ASN N . 15370 1 477 . 1 1 57 57 ASN ND2 N 15 114.533 0.3 . 1 . . . . 57 ASN ND2 . 15370 1 478 . 1 1 58 58 GLY H H 1 9.200 0.02 . 1 . . . . 58 GLY H . 15370 1 479 . 1 1 58 58 GLY HA2 H 1 4.080 0.02 . 2 . . . . 58 GLY HA2 . 15370 1 480 . 1 1 58 58 GLY HA3 H 1 3.513 0.02 . 2 . . . . 58 GLY HA3 . 15370 1 481 . 1 1 58 58 GLY C C 13 174.149 0.3 . 1 . . . . 58 GLY C . 15370 1 482 . 1 1 58 58 GLY CA C 13 45.464 0.3 . 1 . . . . 58 GLY CA . 15370 1 483 . 1 1 58 58 GLY N N 15 103.720 0.3 . 1 . . . . 58 GLY N . 15370 1 484 . 1 1 59 59 MET H H 1 7.852 0.02 . 1 . . . . 59 MET H . 15370 1 485 . 1 1 59 59 MET HA H 1 4.801 0.02 . 1 . . . . 59 MET HA . 15370 1 486 . 1 1 59 59 MET HB2 H 1 2.164 0.02 . 2 . . . . 59 MET HB2 . 15370 1 487 . 1 1 59 59 MET HB3 H 1 1.865 0.02 . 2 . . . . 59 MET HB3 . 15370 1 488 . 1 1 59 59 MET HG2 H 1 2.574 0.02 . 2 . . . . 59 MET HG2 . 15370 1 489 . 1 1 59 59 MET HG3 H 1 2.484 0.02 . 2 . . . . 59 MET HG3 . 15370 1 490 . 1 1 59 59 MET C C 13 175.661 0.3 . 1 . . . . 59 MET C . 15370 1 491 . 1 1 59 59 MET CA C 13 53.528 0.3 . 1 . . . . 59 MET CA . 15370 1 492 . 1 1 59 59 MET CB C 13 33.623 0.3 . 1 . . . . 59 MET CB . 15370 1 493 . 1 1 59 59 MET CG C 13 31.555 0.3 . 1 . . . . 59 MET CG . 15370 1 494 . 1 1 59 59 MET N N 15 120.479 0.3 . 1 . . . . 59 MET N . 15370 1 495 . 1 1 60 60 ASP H H 1 8.931 0.02 . 1 . . . . 60 ASP H . 15370 1 496 . 1 1 60 60 ASP HA H 1 4.696 0.02 . 1 . . . . 60 ASP HA . 15370 1 497 . 1 1 60 60 ASP HB2 H 1 2.689 0.02 . 2 . . . . 60 ASP HB2 . 15370 1 498 . 1 1 60 60 ASP HB3 H 1 2.541 0.02 . 2 . . . . 60 ASP HB3 . 15370 1 499 . 1 1 60 60 ASP C C 13 176.608 0.3 . 1 . . . . 60 ASP C . 15370 1 500 . 1 1 60 60 ASP CA C 13 55.789 0.3 . 1 . . . . 60 ASP CA . 15370 1 501 . 1 1 60 60 ASP CB C 13 40.793 0.3 . 1 . . . . 60 ASP CB . 15370 1 502 . 1 1 60 60 ASP N N 15 127.746 0.3 . 1 . . . . 60 ASP N . 15370 1 503 . 1 1 61 61 VAL H H 1 7.734 0.02 . 1 . . . . 61 VAL H . 15370 1 504 . 1 1 61 61 VAL HA H 1 4.216 0.02 . 1 . . . . 61 VAL HA . 15370 1 505 . 1 1 61 61 VAL HB H 1 1.968 0.02 . 1 . . . . 61 VAL HB . 15370 1 506 . 1 1 61 61 VAL HG11 H 1 0.699 0.02 . 2 . . . . 61 VAL HG1 . 15370 1 507 . 1 1 61 61 VAL HG12 H 1 0.699 0.02 . 2 . . . . 61 VAL HG1 . 15370 1 508 . 1 1 61 61 VAL HG13 H 1 0.699 0.02 . 2 . . . . 61 VAL HG1 . 15370 1 509 . 1 1 61 61 VAL HG21 H 1 0.729 0.02 . 2 . . . . 61 VAL HG2 . 15370 1 510 . 1 1 61 61 VAL HG22 H 1 0.729 0.02 . 2 . . . . 61 VAL HG2 . 15370 1 511 . 1 1 61 61 VAL HG23 H 1 0.729 0.02 . 2 . . . . 61 VAL HG2 . 15370 1 512 . 1 1 61 61 VAL C C 13 174.993 0.3 . 1 . . . . 61 VAL C . 15370 1 513 . 1 1 61 61 VAL CA C 13 60.816 0.3 . 1 . . . . 61 VAL CA . 15370 1 514 . 1 1 61 61 VAL CB C 13 32.006 0.3 . 1 . . . . 61 VAL CB . 15370 1 515 . 1 1 61 61 VAL CG1 C 13 22.318 0.3 . 2 . . . . 61 VAL CG1 . 15370 1 516 . 1 1 61 61 VAL CG2 C 13 20.618 0.3 . 2 . . . . 61 VAL CG2 . 15370 1 517 . 1 1 61 61 VAL N N 15 117.791 0.3 . 1 . . . . 61 VAL N . 15370 1 518 . 1 1 62 62 ASN H H 1 9.011 0.02 . 1 . . . . 62 ASN H . 15370 1 519 . 1 1 62 62 ASN HA H 1 5.044 0.02 . 1 . . . . 62 ASN HA . 15370 1 520 . 1 1 62 62 ASN HB2 H 1 2.842 0.02 . 2 . . . . 62 ASN HB2 . 15370 1 521 . 1 1 62 62 ASN HB3 H 1 2.664 0.02 . 2 . . . . 62 ASN HB3 . 15370 1 522 . 1 1 62 62 ASN HD21 H 1 7.683 0.02 . 2 . . . . 62 ASN HD21 . 15370 1 523 . 1 1 62 62 ASN HD22 H 1 6.946 0.02 . 2 . . . . 62 ASN HD22 . 15370 1 524 . 1 1 62 62 ASN C C 13 175.375 0.3 . 1 . . . . 62 ASN C . 15370 1 525 . 1 1 62 62 ASN CA C 13 51.604 0.3 . 1 . . . . 62 ASN CA . 15370 1 526 . 1 1 62 62 ASN CB C 13 39.209 0.3 . 1 . . . . 62 ASN CB . 15370 1 527 . 1 1 62 62 ASN N N 15 124.361 0.3 . 1 . . . . 62 ASN N . 15370 1 528 . 1 1 62 62 ASN ND2 N 15 112.216 0.3 . 1 . . . . 62 ASN ND2 . 15370 1 529 . 1 1 63 63 GLY H H 1 8.699 0.02 . 1 . . . . 63 GLY H . 15370 1 530 . 1 1 63 63 GLY HA2 H 1 4.267 0.02 . 2 . . . . 63 GLY HA2 . 15370 1 531 . 1 1 63 63 GLY HA3 H 1 3.760 0.02 . 2 . . . . 63 GLY HA3 . 15370 1 532 . 1 1 63 63 GLY C C 13 173.666 0.3 . 1 . . . . 63 GLY C . 15370 1 533 . 1 1 63 63 GLY CA C 13 47.919 0.3 . 1 . . . . 63 GLY CA . 15370 1 534 . 1 1 63 63 GLY N N 15 113.974 0.3 . 1 . . . . 63 GLY N . 15370 1 535 . 1 1 64 64 ARG H H 1 8.595 0.02 . 1 . . . . 64 ARG H . 15370 1 536 . 1 1 64 64 ARG HA H 1 4.144 0.02 . 1 . . . . 64 ARG HA . 15370 1 537 . 1 1 64 64 ARG HB2 H 1 1.705 0.02 . 2 . . . . 64 ARG HB2 . 15370 1 538 . 1 1 64 64 ARG HB3 H 1 1.336 0.02 . 2 . . . . 64 ARG HB3 . 15370 1 539 . 1 1 64 64 ARG HD2 H 1 2.950 0.02 . 2 . . . . 64 ARG HD2 . 15370 1 540 . 1 1 64 64 ARG HD3 H 1 2.950 0.02 . 2 . . . . 64 ARG HD3 . 15370 1 541 . 1 1 64 64 ARG HE H 1 7.941 0.02 . 1 . . . . 64 ARG HE . 15370 1 542 . 1 1 64 64 ARG HG2 H 1 1.271 0.02 . 2 . . . . 64 ARG HG2 . 15370 1 543 . 1 1 64 64 ARG HG3 H 1 0.617 0.02 . 2 . . . . 64 ARG HG3 . 15370 1 544 . 1 1 64 64 ARG C C 13 175.001 0.3 . 1 . . . . 64 ARG C . 15370 1 545 . 1 1 64 64 ARG CA C 13 55.449 0.3 . 1 . . . . 64 ARG CA . 15370 1 546 . 1 1 64 64 ARG CB C 13 31.649 0.3 . 1 . . . . 64 ARG CB . 15370 1 547 . 1 1 64 64 ARG CD C 13 44.144 0.3 . 1 . . . . 64 ARG CD . 15370 1 548 . 1 1 64 64 ARG CG C 13 25.161 0.3 . 1 . . . . 64 ARG CG . 15370 1 549 . 1 1 64 64 ARG N N 15 124.516 0.3 . 1 . . . . 64 ARG N . 15370 1 550 . 1 1 64 64 ARG NE N 15 112.539 0.3 . 1 . . . . 64 ARG NE . 15370 1 551 . 1 1 65 65 TYR H H 1 7.959 0.02 . 1 . . . . 65 TYR H . 15370 1 552 . 1 1 65 65 TYR HA H 1 5.515 0.02 . 1 . . . . 65 TYR HA . 15370 1 553 . 1 1 65 65 TYR HB2 H 1 3.095 0.02 . 2 . . . . 65 TYR HB2 . 15370 1 554 . 1 1 65 65 TYR HB3 H 1 2.929 0.02 . 2 . . . . 65 TYR HB3 . 15370 1 555 . 1 1 65 65 TYR HD1 H 1 7.030 0.02 . 1 . . . . 65 TYR HD1 . 15370 1 556 . 1 1 65 65 TYR HD2 H 1 7.030 0.02 . 1 . . . . 65 TYR HD2 . 15370 1 557 . 1 1 65 65 TYR HE1 H 1 6.856 0.02 . 1 . . . . 65 TYR HE1 . 15370 1 558 . 1 1 65 65 TYR HE2 H 1 6.856 0.02 . 1 . . . . 65 TYR HE2 . 15370 1 559 . 1 1 65 65 TYR C C 13 176.353 0.3 . 1 . . . . 65 TYR C . 15370 1 560 . 1 1 65 65 TYR CA C 13 57.143 0.3 . 1 . . . . 65 TYR CA . 15370 1 561 . 1 1 65 65 TYR CB C 13 42.338 0.3 . 1 . . . . 65 TYR CB . 15370 1 562 . 1 1 65 65 TYR CD1 C 13 133.543 0.3 . 1 . . . . 65 TYR CD1 . 15370 1 563 . 1 1 65 65 TYR CD2 C 13 133.543 0.3 . 1 . . . . 65 TYR CD2 . 15370 1 564 . 1 1 65 65 TYR CE1 C 13 118.383 0.3 . 1 . . . . 65 TYR CE1 . 15370 1 565 . 1 1 65 65 TYR CE2 C 13 118.383 0.3 . 1 . . . . 65 TYR CE2 . 15370 1 566 . 1 1 65 65 TYR N N 15 119.872 0.3 . 1 . . . . 65 TYR N . 15370 1 567 . 1 1 66 66 THR H H 1 9.651 0.02 . 1 . . . . 66 THR H . 15370 1 568 . 1 1 66 66 THR HA H 1 4.418 0.02 . 1 . . . . 66 THR HA . 15370 1 569 . 1 1 66 66 THR HB H 1 4.418 0.02 . 1 . . . . 66 THR HB . 15370 1 570 . 1 1 66 66 THR HG21 H 1 0.827 0.02 . 1 . . . . 66 THR HG2 . 15370 1 571 . 1 1 66 66 THR HG22 H 1 0.827 0.02 . 1 . . . . 66 THR HG2 . 15370 1 572 . 1 1 66 66 THR HG23 H 1 0.827 0.02 . 1 . . . . 66 THR HG2 . 15370 1 573 . 1 1 66 66 THR C C 13 177.773 0.3 . 1 . . . . 66 THR C . 15370 1 574 . 1 1 66 66 THR CA C 13 61.270 0.3 . 1 . . . . 66 THR CA . 15370 1 575 . 1 1 66 66 THR CB C 13 71.305 0.3 . 1 . . . . 66 THR CB . 15370 1 576 . 1 1 66 66 THR CG2 C 13 22.162 0.3 . 1 . . . . 66 THR CG2 . 15370 1 577 . 1 1 66 66 THR N N 15 111.062 0.3 . 1 . . . . 66 THR N . 15370 1 578 . 1 1 67 67 ALA H H 1 9.388 0.02 . 1 . . . . 67 ALA H . 15370 1 579 . 1 1 67 67 ALA HA H 1 4.109 0.02 . 1 . . . . 67 ALA HA . 15370 1 580 . 1 1 67 67 ALA HB1 H 1 1.543 0.02 . 1 . . . . 67 ALA HB . 15370 1 581 . 1 1 67 67 ALA HB2 H 1 1.543 0.02 . 1 . . . . 67 ALA HB . 15370 1 582 . 1 1 67 67 ALA HB3 H 1 1.543 0.02 . 1 . . . . 67 ALA HB . 15370 1 583 . 1 1 67 67 ALA C C 13 177.993 0.3 . 1 . . . . 67 ALA C . 15370 1 584 . 1 1 67 67 ALA CA C 13 55.247 0.3 . 1 . . . . 67 ALA CA . 15370 1 585 . 1 1 67 67 ALA CB C 13 18.955 0.3 . 1 . . . . 67 ALA CB . 15370 1 586 . 1 1 67 67 ALA N N 15 125.051 0.3 . 1 . . . . 67 ALA N . 15370 1 587 . 1 1 68 68 ASP H H 1 7.980 0.02 . 1 . . . . 68 ASP H . 15370 1 588 . 1 1 68 68 ASP HA H 1 4.674 0.02 . 1 . . . . 68 ASP HA . 15370 1 589 . 1 1 68 68 ASP HB2 H 1 2.916 0.02 . 2 . . . . 68 ASP HB2 . 15370 1 590 . 1 1 68 68 ASP HB3 H 1 2.618 0.02 . 2 . . . . 68 ASP HB3 . 15370 1 591 . 1 1 68 68 ASP C C 13 176.691 0.3 . 1 . . . . 68 ASP C . 15370 1 592 . 1 1 68 68 ASP CA C 13 52.824 0.3 . 1 . . . . 68 ASP CA . 15370 1 593 . 1 1 68 68 ASP CB C 13 39.776 0.3 . 1 . . . . 68 ASP CB . 15370 1 594 . 1 1 68 68 ASP N N 15 111.027 0.3 . 1 . . . . 68 ASP N . 15370 1 595 . 1 1 69 69 GLY H H 1 8.052 0.02 . 1 . . . . 69 GLY H . 15370 1 596 . 1 1 69 69 GLY HA2 H 1 4.154 0.02 . 2 . . . . 69 GLY HA2 . 15370 1 597 . 1 1 69 69 GLY HA3 H 1 3.569 0.02 . 2 . . . . 69 GLY HA3 . 15370 1 598 . 1 1 69 69 GLY C C 13 174.525 0.3 . 1 . . . . 69 GLY C . 15370 1 599 . 1 1 69 69 GLY CA C 13 46.273 0.3 . 1 . . . . 69 GLY CA . 15370 1 600 . 1 1 69 69 GLY N N 15 107.666 0.3 . 1 . . . . 69 GLY N . 15370 1 601 . 1 1 70 70 LYS H H 1 7.816 0.02 . 1 . . . . 70 LYS H . 15370 1 602 . 1 1 70 70 LYS HA H 1 4.639 0.02 . 1 . . . . 70 LYS HA . 15370 1 603 . 1 1 70 70 LYS HB2 H 1 1.954 0.02 . 2 . . . . 70 LYS HB2 . 15370 1 604 . 1 1 70 70 LYS HB3 H 1 1.856 0.02 . 2 . . . . 70 LYS HB3 . 15370 1 605 . 1 1 70 70 LYS HD2 H 1 1.704 0.02 . 2 . . . . 70 LYS HD2 . 15370 1 606 . 1 1 70 70 LYS HD3 H 1 1.704 0.02 . 2 . . . . 70 LYS HD3 . 15370 1 607 . 1 1 70 70 LYS HE2 H 1 3.036 0.02 . 2 . . . . 70 LYS HE2 . 15370 1 608 . 1 1 70 70 LYS HE3 H 1 3.036 0.02 . 2 . . . . 70 LYS HE3 . 15370 1 609 . 1 1 70 70 LYS HG2 H 1 1.411 0.02 . 2 . . . . 70 LYS HG2 . 15370 1 610 . 1 1 70 70 LYS HG3 H 1 1.411 0.02 . 2 . . . . 70 LYS HG3 . 15370 1 611 . 1 1 70 70 LYS C C 13 176.713 0.3 . 1 . . . . 70 LYS C . 15370 1 612 . 1 1 70 70 LYS CA C 13 54.753 0.3 . 1 . . . . 70 LYS CA . 15370 1 613 . 1 1 70 70 LYS CB C 13 32.589 0.3 . 1 . . . . 70 LYS CB . 15370 1 614 . 1 1 70 70 LYS CD C 13 28.944 0.3 . 1 . . . . 70 LYS CD . 15370 1 615 . 1 1 70 70 LYS CE C 13 42.430 0.3 . 1 . . . . 70 LYS CE . 15370 1 616 . 1 1 70 70 LYS CG C 13 24.993 0.3 . 1 . . . . 70 LYS CG . 15370 1 617 . 1 1 70 70 LYS N N 15 120.047 0.3 . 1 . . . . 70 LYS N . 15370 1 618 . 1 1 71 71 GLU H H 1 9.375 0.02 . 1 . . . . 71 GLU H . 15370 1 619 . 1 1 71 71 GLU HA H 1 4.366 0.02 . 1 . . . . 71 GLU HA . 15370 1 620 . 1 1 71 71 GLU HB2 H 1 2.344 0.02 . 2 . . . . 71 GLU HB2 . 15370 1 621 . 1 1 71 71 GLU HB3 H 1 2.028 0.02 . 2 . . . . 71 GLU HB3 . 15370 1 622 . 1 1 71 71 GLU HG2 H 1 2.515 0.02 . 2 . . . . 71 GLU HG2 . 15370 1 623 . 1 1 71 71 GLU HG3 H 1 2.049 0.02 . 2 . . . . 71 GLU HG3 . 15370 1 624 . 1 1 71 71 GLU C C 13 177.910 0.3 . 1 . . . . 71 GLU C . 15370 1 625 . 1 1 71 71 GLU CA C 13 58.297 0.3 . 1 . . . . 71 GLU CA . 15370 1 626 . 1 1 71 71 GLU CB C 13 29.572 0.3 . 1 . . . . 71 GLU CB . 15370 1 627 . 1 1 71 71 GLU CG C 13 37.639 0.3 . 1 . . . . 71 GLU CG . 15370 1 628 . 1 1 71 71 GLU N N 15 124.416 0.3 . 1 . . . . 71 GLU N . 15370 1 629 . 1 1 72 72 VAL H H 1 9.028 0.02 . 1 . . . . 72 VAL H . 15370 1 630 . 1 1 72 72 VAL HA H 1 3.258 0.02 . 1 . . . . 72 VAL HA . 15370 1 631 . 1 1 72 72 VAL HB H 1 1.808 0.02 . 1 . . . . 72 VAL HB . 15370 1 632 . 1 1 72 72 VAL HG11 H 1 0.763 0.02 . 2 . . . . 72 VAL HG1 . 15370 1 633 . 1 1 72 72 VAL HG12 H 1 0.763 0.02 . 2 . . . . 72 VAL HG1 . 15370 1 634 . 1 1 72 72 VAL HG13 H 1 0.763 0.02 . 2 . . . . 72 VAL HG1 . 15370 1 635 . 1 1 72 72 VAL HG21 H 1 0.763 0.02 . 2 . . . . 72 VAL HG2 . 15370 1 636 . 1 1 72 72 VAL HG22 H 1 0.763 0.02 . 2 . . . . 72 VAL HG2 . 15370 1 637 . 1 1 72 72 VAL HG23 H 1 0.763 0.02 . 2 . . . . 72 VAL HG2 . 15370 1 638 . 1 1 72 72 VAL C C 13 177.159 0.3 . 1 . . . . 72 VAL C . 15370 1 639 . 1 1 72 72 VAL CA C 13 67.561 0.3 . 1 . . . . 72 VAL CA . 15370 1 640 . 1 1 72 72 VAL CB C 13 31.962 0.3 . 1 . . . . 72 VAL CB . 15370 1 641 . 1 1 72 72 VAL CG1 C 13 23.774 0.3 . 2 . . . . 72 VAL CG1 . 15370 1 642 . 1 1 72 72 VAL CG2 C 13 22.175 0.3 . 2 . . . . 72 VAL CG2 . 15370 1 643 . 1 1 72 72 VAL N N 15 128.216 0.3 . 1 . . . . 72 VAL N . 15370 1 644 . 1 1 73 73 LEU H H 1 9.223 0.02 . 1 . . . . 73 LEU H . 15370 1 645 . 1 1 73 73 LEU HA H 1 3.972 0.02 . 1 . . . . 73 LEU HA . 15370 1 646 . 1 1 73 73 LEU HB2 H 1 1.926 0.02 . 2 . . . . 73 LEU HB2 . 15370 1 647 . 1 1 73 73 LEU HB3 H 1 1.487 0.02 . 2 . . . . 73 LEU HB3 . 15370 1 648 . 1 1 73 73 LEU HD11 H 1 0.920 0.02 . 2 . . . . 73 LEU HD1 . 15370 1 649 . 1 1 73 73 LEU HD12 H 1 0.920 0.02 . 2 . . . . 73 LEU HD1 . 15370 1 650 . 1 1 73 73 LEU HD13 H 1 0.920 0.02 . 2 . . . . 73 LEU HD1 . 15370 1 651 . 1 1 73 73 LEU HD21 H 1 0.783 0.02 . 2 . . . . 73 LEU HD2 . 15370 1 652 . 1 1 73 73 LEU HD22 H 1 0.783 0.02 . 2 . . . . 73 LEU HD2 . 15370 1 653 . 1 1 73 73 LEU HD23 H 1 0.783 0.02 . 2 . . . . 73 LEU HD2 . 15370 1 654 . 1 1 73 73 LEU HG H 1 1.761 0.02 . 1 . . . . 73 LEU HG . 15370 1 655 . 1 1 73 73 LEU C C 13 180.513 0.3 . 1 . . . . 73 LEU C . 15370 1 656 . 1 1 73 73 LEU CA C 13 58.658 0.3 . 1 . . . . 73 LEU CA . 15370 1 657 . 1 1 73 73 LEU CB C 13 40.458 0.3 . 1 . . . . 73 LEU CB . 15370 1 658 . 1 1 73 73 LEU CD1 C 13 25.742 0.3 . 2 . . . . 73 LEU CD1 . 15370 1 659 . 1 1 73 73 LEU CD2 C 13 23.591 0.3 . 2 . . . . 73 LEU CD2 . 15370 1 660 . 1 1 73 73 LEU CG C 13 27.028 0.3 . 1 . . . . 73 LEU CG . 15370 1 661 . 1 1 73 73 LEU N N 15 117.712 0.3 . 1 . . . . 73 LEU N . 15370 1 662 . 1 1 74 74 GLU H H 1 7.456 0.02 . 1 . . . . 74 GLU H . 15370 1 663 . 1 1 74 74 GLU HA H 1 4.133 0.02 . 1 . . . . 74 GLU HA . 15370 1 664 . 1 1 74 74 GLU HB2 H 1 2.200 0.02 . 2 . . . . 74 GLU HB2 . 15370 1 665 . 1 1 74 74 GLU HB3 H 1 2.256 0.02 . 2 . . . . 74 GLU HB3 . 15370 1 666 . 1 1 74 74 GLU HG2 H 1 2.440 0.02 . 2 . . . . 74 GLU HG2 . 15370 1 667 . 1 1 74 74 GLU HG3 H 1 2.285 0.02 . 2 . . . . 74 GLU HG3 . 15370 1 668 . 1 1 74 74 GLU C C 13 179.695 0.3 . 1 . . . . 74 GLU C . 15370 1 669 . 1 1 74 74 GLU CA C 13 59.092 0.3 . 1 . . . . 74 GLU CA . 15370 1 670 . 1 1 74 74 GLU CB C 13 29.845 0.3 . 1 . . . . 74 GLU CB . 15370 1 671 . 1 1 74 74 GLU CG C 13 36.313 0.3 . 1 . . . . 74 GLU CG . 15370 1 672 . 1 1 74 74 GLU N N 15 119.823 0.3 . 1 . . . . 74 GLU N . 15370 1 673 . 1 1 75 75 TYR H H 1 8.706 0.02 . 1 . . . . 75 TYR H . 15370 1 674 . 1 1 75 75 TYR HA H 1 4.047 0.02 . 1 . . . . 75 TYR HA . 15370 1 675 . 1 1 75 75 TYR HB2 H 1 3.166 0.02 . 2 . . . . 75 TYR HB2 . 15370 1 676 . 1 1 75 75 TYR HB3 H 1 2.973 0.02 . 2 . . . . 75 TYR HB3 . 15370 1 677 . 1 1 75 75 TYR HD1 H 1 6.896 0.02 . 1 . . . . 75 TYR HD1 . 15370 1 678 . 1 1 75 75 TYR HD2 H 1 6.896 0.02 . 1 . . . . 75 TYR HD2 . 15370 1 679 . 1 1 75 75 TYR HE1 H 1 6.659 0.02 . 1 . . . . 75 TYR HE1 . 15370 1 680 . 1 1 75 75 TYR HE2 H 1 6.659 0.02 . 1 . . . . 75 TYR HE2 . 15370 1 681 . 1 1 75 75 TYR C C 13 179.408 0.3 . 1 . . . . 75 TYR C . 15370 1 682 . 1 1 75 75 TYR CA C 13 62.106 0.3 . 1 . . . . 75 TYR CA . 15370 1 683 . 1 1 75 75 TYR CB C 13 39.275 0.3 . 1 . . . . 75 TYR CB . 15370 1 684 . 1 1 75 75 TYR CD1 C 13 133.210 0.3 . 1 . . . . 75 TYR CD1 . 15370 1 685 . 1 1 75 75 TYR CD2 C 13 133.210 0.3 . 1 . . . . 75 TYR CD2 . 15370 1 686 . 1 1 75 75 TYR CE1 C 13 118.516 0.3 . 1 . . . . 75 TYR CE1 . 15370 1 687 . 1 1 75 75 TYR CE2 C 13 118.516 0.3 . 1 . . . . 75 TYR CE2 . 15370 1 688 . 1 1 75 75 TYR N N 15 123.223 0.3 . 1 . . . . 75 TYR N . 15370 1 689 . 1 1 76 76 LEU H H 1 8.586 0.02 . 1 . . . . 76 LEU H . 15370 1 690 . 1 1 76 76 LEU HA H 1 4.458 0.02 . 1 . . . . 76 LEU HA . 15370 1 691 . 1 1 76 76 LEU HB2 H 1 1.921 0.02 . 2 . . . . 76 LEU HB2 . 15370 1 692 . 1 1 76 76 LEU HB3 H 1 1.723 0.02 . 2 . . . . 76 LEU HB3 . 15370 1 693 . 1 1 76 76 LEU HD11 H 1 0.931 0.02 . 2 . . . . 76 LEU HD1 . 15370 1 694 . 1 1 76 76 LEU HD12 H 1 0.931 0.02 . 2 . . . . 76 LEU HD1 . 15370 1 695 . 1 1 76 76 LEU HD13 H 1 0.931 0.02 . 2 . . . . 76 LEU HD1 . 15370 1 696 . 1 1 76 76 LEU HD21 H 1 0.723 0.02 . 2 . . . . 76 LEU HD2 . 15370 1 697 . 1 1 76 76 LEU HD22 H 1 0.723 0.02 . 2 . . . . 76 LEU HD2 . 15370 1 698 . 1 1 76 76 LEU HD23 H 1 0.723 0.02 . 2 . . . . 76 LEU HD2 . 15370 1 699 . 1 1 76 76 LEU HG H 1 2.050 0.02 . 1 . . . . 76 LEU HG . 15370 1 700 . 1 1 76 76 LEU C C 13 178.328 0.3 . 1 . . . . 76 LEU C . 15370 1 701 . 1 1 76 76 LEU CA C 13 55.395 0.3 . 1 . . . . 76 LEU CA . 15370 1 702 . 1 1 76 76 LEU CB C 13 41.315 0.3 . 1 . . . . 76 LEU CB . 15370 1 703 . 1 1 76 76 LEU CD1 C 13 22.478 0.3 . 2 . . . . 76 LEU CD1 . 15370 1 704 . 1 1 76 76 LEU CD2 C 13 26.420 0.3 . 2 . . . . 76 LEU CD2 . 15370 1 705 . 1 1 76 76 LEU CG C 13 27.101 0.3 . 1 . . . . 76 LEU CG . 15370 1 706 . 1 1 76 76 LEU N N 15 113.641 0.3 . 1 . . . . 76 LEU N . 15370 1 707 . 1 1 77 77 GLY H H 1 7.868 0.02 . 1 . . . . 77 GLY H . 15370 1 708 . 1 1 77 77 GLY HA2 H 1 4.541 0.02 . 2 . . . . 77 GLY HA2 . 15370 1 709 . 1 1 77 77 GLY HA3 H 1 3.946 0.02 . 2 . . . . 77 GLY HA3 . 15370 1 710 . 1 1 77 77 GLY C C 13 172.507 0.3 . 1 . . . . 77 GLY C . 15370 1 711 . 1 1 77 77 GLY CA C 13 45.274 0.3 . 1 . . . . 77 GLY CA . 15370 1 712 . 1 1 77 77 GLY N N 15 108.897 0.3 . 1 . . . . 77 GLY N . 15370 1 713 . 1 1 78 78 ASN H H 1 7.108 0.02 . 1 . . . . 78 ASN H . 15370 1 714 . 1 1 78 78 ASN HA H 1 5.208 0.02 . 1 . . . . 78 ASN HA . 15370 1 715 . 1 1 78 78 ASN HB2 H 1 3.321 0.02 . 2 . . . . 78 ASN HB2 . 15370 1 716 . 1 1 78 78 ASN HB3 H 1 2.725 0.02 . 2 . . . . 78 ASN HB3 . 15370 1 717 . 1 1 78 78 ASN HD21 H 1 7.572 0.02 . 2 . . . . 78 ASN HD21 . 15370 1 718 . 1 1 78 78 ASN HD22 H 1 7.086 0.02 . 2 . . . . 78 ASN HD22 . 15370 1 719 . 1 1 78 78 ASN C C 13 174.475 0.3 . 1 . . . . 78 ASN C . 15370 1 720 . 1 1 78 78 ASN CA C 13 49.514 0.3 . 1 . . . . 78 ASN CA . 15370 1 721 . 1 1 78 78 ASN CB C 13 39.531 0.3 . 1 . . . . 78 ASN CB . 15370 1 722 . 1 1 78 78 ASN N N 15 119.451 0.3 . 1 . . . . 78 ASN N . 15370 1 723 . 1 1 78 78 ASN ND2 N 15 111.376 0.3 . 1 . . . . 78 ASN ND2 . 15370 1 724 . 1 1 79 79 PRO HA H 1 3.589 0.02 . 1 . . . . 79 PRO HA . 15370 1 725 . 1 1 79 79 PRO HB2 H 1 1.478 0.02 . 2 . . . . 79 PRO HB2 . 15370 1 726 . 1 1 79 79 PRO HB3 H 1 0.687 0.02 . 2 . . . . 79 PRO HB3 . 15370 1 727 . 1 1 79 79 PRO HD2 H 1 3.910 0.02 . 2 . . . . 79 PRO HD2 . 15370 1 728 . 1 1 79 79 PRO HD3 H 1 3.640 0.02 . 2 . . . . 79 PRO HD3 . 15370 1 729 . 1 1 79 79 PRO HG2 H 1 1.690 0.02 . 2 . . . . 79 PRO HG2 . 15370 1 730 . 1 1 79 79 PRO HG3 H 1 1.239 0.02 . 2 . . . . 79 PRO HG3 . 15370 1 731 . 1 1 79 79 PRO C C 13 177.877 0.3 . 1 . . . . 79 PRO C . 15370 1 732 . 1 1 79 79 PRO CA C 13 64.697 0.3 . 1 . . . . 79 PRO CA . 15370 1 733 . 1 1 79 79 PRO CB C 13 30.935 0.3 . 1 . . . . 79 PRO CB . 15370 1 734 . 1 1 79 79 PRO CD C 13 51.179 0.3 . 1 . . . . 79 PRO CD . 15370 1 735 . 1 1 79 79 PRO CG C 13 26.023 0.3 . 1 . . . . 79 PRO CG . 15370 1 736 . 1 1 80 80 ALA H H 1 7.842 0.02 . 1 . . . . 80 ALA H . 15370 1 737 . 1 1 80 80 ALA HA H 1 4.197 0.02 . 1 . . . . 80 ALA HA . 15370 1 738 . 1 1 80 80 ALA HB1 H 1 1.294 0.02 . 1 . . . . 80 ALA HB . 15370 1 739 . 1 1 80 80 ALA HB2 H 1 1.294 0.02 . 1 . . . . 80 ALA HB . 15370 1 740 . 1 1 80 80 ALA HB3 H 1 1.294 0.02 . 1 . . . . 80 ALA HB . 15370 1 741 . 1 1 80 80 ALA C C 13 178.566 0.3 . 1 . . . . 80 ALA C . 15370 1 742 . 1 1 80 80 ALA CA C 13 53.801 0.3 . 1 . . . . 80 ALA CA . 15370 1 743 . 1 1 80 80 ALA CB C 13 18.366 0.3 . 1 . . . . 80 ALA CB . 15370 1 744 . 1 1 80 80 ALA N N 15 119.231 0.3 . 1 . . . . 80 ALA N . 15370 1 745 . 1 1 81 81 ASN H H 1 7.714 0.02 . 1 . . . . 81 ASN H . 15370 1 746 . 1 1 81 81 ASN HA H 1 4.662 0.02 . 1 . . . . 81 ASN HA . 15370 1 747 . 1 1 81 81 ASN HB2 H 1 2.442 0.02 . 2 . . . . 81 ASN HB2 . 15370 1 748 . 1 1 81 81 ASN HB3 H 1 2.318 0.02 . 2 . . . . 81 ASN HB3 . 15370 1 749 . 1 1 81 81 ASN HD21 H 1 7.823 0.02 . 2 . . . . 81 ASN HD21 . 15370 1 750 . 1 1 81 81 ASN HD22 H 1 6.692 0.02 . 2 . . . . 81 ASN HD22 . 15370 1 751 . 1 1 81 81 ASN C C 13 172.714 0.3 . 1 . . . . 81 ASN C . 15370 1 752 . 1 1 81 81 ASN CA C 13 52.960 0.3 . 1 . . . . 81 ASN CA . 15370 1 753 . 1 1 81 81 ASN CB C 13 37.946 0.3 . 1 . . . . 81 ASN CB . 15370 1 754 . 1 1 81 81 ASN N N 15 113.680 0.3 . 1 . . . . 81 ASN N . 15370 1 755 . 1 1 81 81 ASN ND2 N 15 117.259 0.3 . 1 . . . . 81 ASN ND2 . 15370 1 756 . 1 1 82 82 TYR H H 1 7.299 0.02 . 1 . . . . 82 TYR H . 15370 1 757 . 1 1 82 82 TYR HA H 1 4.283 0.02 . 1 . . . . 82 TYR HA . 15370 1 758 . 1 1 82 82 TYR HB3 H 1 3.043 0.02 . 2 . . . . 82 TYR HB3 . 15370 1 759 . 1 1 82 82 TYR HD1 H 1 7.360 0.02 . 1 . . . . 82 TYR HD1 . 15370 1 760 . 1 1 82 82 TYR HD2 H 1 7.360 0.02 . 1 . . . . 82 TYR HD2 . 15370 1 761 . 1 1 82 82 TYR HE1 H 1 6.641 0.02 . 1 . . . . 82 TYR HE1 . 15370 1 762 . 1 1 82 82 TYR HE2 H 1 6.641 0.02 . 1 . . . . 82 TYR HE2 . 15370 1 763 . 1 1 82 82 TYR C C 13 174.383 0.3 . 1 . . . . 82 TYR C . 15370 1 764 . 1 1 82 82 TYR CA C 13 57.061 0.3 . 1 . . . . 82 TYR CA . 15370 1 765 . 1 1 82 82 TYR CB C 13 39.447 0.3 . 1 . . . . 82 TYR CB . 15370 1 766 . 1 1 82 82 TYR CD1 C 13 133.864 0.3 . 1 . . . . 82 TYR CD1 . 15370 1 767 . 1 1 82 82 TYR CD2 C 13 133.864 0.3 . 1 . . . . 82 TYR CD2 . 15370 1 768 . 1 1 82 82 TYR CE1 C 13 118.269 0.3 . 1 . . . . 82 TYR CE1 . 15370 1 769 . 1 1 82 82 TYR CE2 C 13 118.269 0.3 . 1 . . . . 82 TYR CE2 . 15370 1 770 . 1 1 82 82 TYR N N 15 118.625 0.3 . 1 . . . . 82 TYR N . 15370 1 771 . 1 1 83 83 PRO HA H 1 4.381 0.02 . 1 . . . . 83 PRO HA . 15370 1 772 . 1 1 83 83 PRO HB2 H 1 1.932 0.02 . 2 . . . . 83 PRO HB2 . 15370 1 773 . 1 1 83 83 PRO HB3 H 1 2.133 0.02 . 2 . . . . 83 PRO HB3 . 15370 1 774 . 1 1 83 83 PRO HD2 H 1 3.762 0.02 . 2 . . . . 83 PRO HD2 . 15370 1 775 . 1 1 83 83 PRO HD3 H 1 3.979 0.02 . 2 . . . . 83 PRO HD3 . 15370 1 776 . 1 1 83 83 PRO HG2 H 1 1.930 0.02 . 2 . . . . 83 PRO HG2 . 15370 1 777 . 1 1 83 83 PRO HG3 H 1 2.112 0.02 . 2 . . . . 83 PRO HG3 . 15370 1 778 . 1 1 83 83 PRO CA C 13 62.946 0.3 . 1 . . . . 83 PRO CA . 15370 1 779 . 1 1 83 83 PRO CB C 13 32.088 0.3 . 1 . . . . 83 PRO CB . 15370 1 780 . 1 1 83 83 PRO CD C 13 50.799 0.3 . 1 . . . . 83 PRO CD . 15370 1 781 . 1 1 83 83 PRO CG C 13 27.515 0.3 . 1 . . . . 83 PRO CG . 15370 1 782 . 1 1 84 84 VAL HA H 1 4.956 0.02 . 1 . . . . 84 VAL HA . 15370 1 783 . 1 1 84 84 VAL HB H 1 1.894 0.02 . 1 . . . . 84 VAL HB . 15370 1 784 . 1 1 84 84 VAL HG11 H 1 0.834 0.02 . 2 . . . . 84 VAL HG1 . 15370 1 785 . 1 1 84 84 VAL HG12 H 1 0.834 0.02 . 2 . . . . 84 VAL HG1 . 15370 1 786 . 1 1 84 84 VAL HG13 H 1 0.834 0.02 . 2 . . . . 84 VAL HG1 . 15370 1 787 . 1 1 84 84 VAL HG21 H 1 0.581 0.02 . 2 . . . . 84 VAL HG2 . 15370 1 788 . 1 1 84 84 VAL HG22 H 1 0.581 0.02 . 2 . . . . 84 VAL HG2 . 15370 1 789 . 1 1 84 84 VAL HG23 H 1 0.581 0.02 . 2 . . . . 84 VAL HG2 . 15370 1 790 . 1 1 84 84 VAL CA C 13 59.200 0.3 . 1 . . . . 84 VAL CA . 15370 1 791 . 1 1 84 84 VAL CB C 13 35.235 0.3 . 1 . . . . 84 VAL CB . 15370 1 792 . 1 1 84 84 VAL CG1 C 13 21.960 0.3 . 2 . . . . 84 VAL CG1 . 15370 1 793 . 1 1 84 84 VAL CG2 C 13 20.563 0.3 . 2 . . . . 84 VAL CG2 . 15370 1 794 . 1 1 85 85 SER H H 1 8.491 0.02 . 1 . . . . 85 SER H . 15370 1 795 . 1 1 85 85 SER HA H 1 5.655 0.02 . 1 . . . . 85 SER HA . 15370 1 796 . 1 1 85 85 SER HB2 H 1 3.861 0.02 . 2 . . . . 85 SER HB2 . 15370 1 797 . 1 1 85 85 SER HB3 H 1 3.781 0.02 . 2 . . . . 85 SER HB3 . 15370 1 798 . 1 1 85 85 SER C C 13 174.729 0.3 . 1 . . . . 85 SER C . 15370 1 799 . 1 1 85 85 SER CA C 13 56.679 0.3 . 1 . . . . 85 SER CA . 15370 1 800 . 1 1 85 85 SER CB C 13 64.021 0.3 . 1 . . . . 85 SER CB . 15370 1 801 . 1 1 85 85 SER N N 15 121.531 0.3 . 1 . . . . 85 SER N . 15370 1 802 . 1 1 86 86 ILE H H 1 9.318 0.02 . 1 . . . . 86 ILE H . 15370 1 803 . 1 1 86 86 ILE HA H 1 4.803 0.02 . 1 . . . . 86 ILE HA . 15370 1 804 . 1 1 86 86 ILE HB H 1 1.771 0.02 . 1 . . . . 86 ILE HB . 15370 1 805 . 1 1 86 86 ILE HD11 H 1 0.630 0.02 . 1 . . . . 86 ILE HD1 . 15370 1 806 . 1 1 86 86 ILE HD12 H 1 0.630 0.02 . 1 . . . . 86 ILE HD1 . 15370 1 807 . 1 1 86 86 ILE HD13 H 1 0.630 0.02 . 1 . . . . 86 ILE HD1 . 15370 1 808 . 1 1 86 86 ILE HG12 H 1 1.796 0.02 . 2 . . . . 86 ILE HG12 . 15370 1 809 . 1 1 86 86 ILE HG13 H 1 0.741 0.02 . 2 . . . . 86 ILE HG13 . 15370 1 810 . 1 1 86 86 ILE HG21 H 1 0.149 0.02 . 1 . . . . 86 ILE HG2 . 15370 1 811 . 1 1 86 86 ILE HG22 H 1 0.149 0.02 . 1 . . . . 86 ILE HG2 . 15370 1 812 . 1 1 86 86 ILE HG23 H 1 0.149 0.02 . 1 . . . . 86 ILE HG2 . 15370 1 813 . 1 1 86 86 ILE C C 13 173.918 0.3 . 1 . . . . 86 ILE C . 15370 1 814 . 1 1 86 86 ILE CA C 13 60.802 0.3 . 1 . . . . 86 ILE CA . 15370 1 815 . 1 1 86 86 ILE CB C 13 41.352 0.3 . 1 . . . . 86 ILE CB . 15370 1 816 . 1 1 86 86 ILE CD1 C 13 14.185 0.3 . 1 . . . . 86 ILE CD1 . 15370 1 817 . 1 1 86 86 ILE CG1 C 13 27.742 0.3 . 1 . . . . 86 ILE CG1 . 15370 1 818 . 1 1 86 86 ILE CG2 C 13 18.834 0.3 . 1 . . . . 86 ILE CG2 . 15370 1 819 . 1 1 86 86 ILE N N 15 126.689 0.3 . 1 . . . . 86 ILE N . 15370 1 820 . 1 1 88 88 PHE HA H 1 5.866 0.02 . 1 . . . . 88 PHE HA . 15370 1 821 . 1 1 88 88 PHE HB2 H 1 3.059 0.02 . 2 . . . . 88 PHE HB2 . 15370 1 822 . 1 1 88 88 PHE HB3 H 1 2.867 0.02 . 2 . . . . 88 PHE HB3 . 15370 1 823 . 1 1 88 88 PHE HD1 H 1 7.054 0.02 . 1 . . . . 88 PHE HD1 . 15370 1 824 . 1 1 88 88 PHE HD2 H 1 7.054 0.02 . 1 . . . . 88 PHE HD2 . 15370 1 825 . 1 1 88 88 PHE HZ H 1 6.778 0.02 . 1 . . . . 88 PHE HZ . 15370 1 826 . 1 1 88 88 PHE C C 13 175.891 0.3 . 1 . . . . 88 PHE C . 15370 1 827 . 1 1 88 88 PHE CA C 13 56.349 0.3 . 1 . . . . 88 PHE CA . 15370 1 828 . 1 1 88 88 PHE CB C 13 44.020 0.3 . 1 . . . . 88 PHE CB . 15370 1 829 . 1 1 88 88 PHE CD1 C 13 132.034 0.3 . 1 . . . . 88 PHE CD1 . 15370 1 830 . 1 1 88 88 PHE CD2 C 13 132.034 0.3 . 1 . . . . 88 PHE CD2 . 15370 1 831 . 1 1 88 88 PHE CZ C 13 128.604 0.3 . 1 . . . . 88 PHE CZ . 15370 1 832 . 1 1 89 89 GLY H H 1 8.913 0.02 . 1 . . . . 89 GLY H . 15370 1 833 . 1 1 89 89 GLY HA2 H 1 4.090 0.02 . 2 . . . . 89 GLY HA2 . 15370 1 834 . 1 1 89 89 GLY HA3 H 1 4.090 0.02 . 2 . . . . 89 GLY HA3 . 15370 1 835 . 1 1 89 89 GLY C C 13 171.617 0.3 . 1 . . . . 89 GLY C . 15370 1 836 . 1 1 89 89 GLY CA C 13 45.684 0.3 . 1 . . . . 89 GLY CA . 15370 1 837 . 1 1 89 89 GLY N N 15 105.946 0.3 . 1 . . . . 89 GLY N . 15370 1 838 . 1 1 90 90 ARG H H 1 8.880 0.02 . 1 . . . . 90 ARG H . 15370 1 839 . 1 1 90 90 ARG HA H 1 4.628 0.02 . 1 . . . . 90 ARG HA . 15370 1 840 . 1 1 90 90 ARG HB2 H 1 1.860 0.02 . 2 . . . . 90 ARG HB2 . 15370 1 841 . 1 1 90 90 ARG HB3 H 1 1.724 0.02 . 2 . . . . 90 ARG HB3 . 15370 1 842 . 1 1 90 90 ARG HD2 H 1 3.220 0.02 . 2 . . . . 90 ARG HD2 . 15370 1 843 . 1 1 90 90 ARG HD3 H 1 3.220 0.02 . 2 . . . . 90 ARG HD3 . 15370 1 844 . 1 1 90 90 ARG HG2 H 1 1.650 0.02 . 2 . . . . 90 ARG HG2 . 15370 1 845 . 1 1 90 90 ARG HG3 H 1 1.650 0.02 . 2 . . . . 90 ARG HG3 . 15370 1 846 . 1 1 90 90 ARG CA C 13 54.341 0.3 . 1 . . . . 90 ARG CA . 15370 1 847 . 1 1 90 90 ARG CB C 13 30.326 0.3 . 1 . . . . 90 ARG CB . 15370 1 848 . 1 1 90 90 ARG CD C 13 43.464 0.3 . 1 . . . . 90 ARG CD . 15370 1 849 . 1 1 90 90 ARG CG C 13 27.095 0.3 . 1 . . . . 90 ARG CG . 15370 1 850 . 1 1 90 90 ARG N N 15 123.099 0.3 . 1 . . . . 90 ARG N . 15370 1 851 . 1 1 91 91 PRO HA H 1 4.390 0.02 . 1 . . . . 91 PRO HA . 15370 1 852 . 1 1 91 91 PRO HB2 H 1 2.150 0.02 . 2 . . . . 91 PRO HB2 . 15370 1 853 . 1 1 91 91 PRO HB3 H 1 1.925 0.02 . 2 . . . . 91 PRO HB3 . 15370 1 854 . 1 1 91 91 PRO HD2 H 1 3.642 0.02 . 2 . . . . 91 PRO HD2 . 15370 1 855 . 1 1 91 91 PRO HD3 H 1 3.624 0.02 . 2 . . . . 91 PRO HD3 . 15370 1 856 . 1 1 91 91 PRO HG2 H 1 2.007 0.02 . 2 . . . . 91 PRO HG2 . 15370 1 857 . 1 1 91 91 PRO HG3 H 1 2.007 0.02 . 2 . . . . 91 PRO HG3 . 15370 1 858 . 1 1 91 91 PRO CA C 13 62.994 0.3 . 1 . . . . 91 PRO CA . 15370 1 859 . 1 1 91 91 PRO CB C 13 32.136 0.3 . 1 . . . . 91 PRO CB . 15370 1 860 . 1 1 91 91 PRO CD C 13 50.533 0.3 . 1 . . . . 91 PRO CD . 15370 1 861 . 1 1 91 91 PRO CG C 13 27.419 0.3 . 1 . . . . 91 PRO CG . 15370 1 862 . 1 1 92 92 ARG H H 1 8.506 0.02 . 1 . . . . 92 ARG H . 15370 1 863 . 1 1 92 92 ARG HA H 1 4.321 0.02 . 1 . . . . 92 ARG HA . 15370 1 864 . 1 1 92 92 ARG HB2 H 1 1.861 0.02 . 2 . . . . 92 ARG HB2 . 15370 1 865 . 1 1 92 92 ARG HB3 H 1 1.763 0.02 . 2 . . . . 92 ARG HB3 . 15370 1 866 . 1 1 92 92 ARG HD3 H 1 3.208 0.02 . 2 . . . . 92 ARG HD3 . 15370 1 867 . 1 1 92 92 ARG C C 13 176.279 0.3 . 1 . . . . 92 ARG C . 15370 1 868 . 1 1 92 92 ARG CA C 13 56.320 0.3 . 1 . . . . 92 ARG CA . 15370 1 869 . 1 1 92 92 ARG CB C 13 30.937 0.3 . 1 . . . . 92 ARG CB . 15370 1 870 . 1 1 92 92 ARG CD C 13 43.510 0.3 . 1 . . . . 92 ARG CD . 15370 1 871 . 1 1 92 92 ARG N N 15 121.873 0.3 . 1 . . . . 92 ARG N . 15370 1 872 . 1 1 93 93 LEU H H 1 8.537 0.02 . 1 . . . . 93 LEU H . 15370 1 873 . 1 1 93 93 LEU HA H 1 4.479 0.02 . 1 . . . . 93 LEU HA . 15370 1 874 . 1 1 93 93 LEU HB2 H 1 1.662 0.02 . 2 . . . . 93 LEU HB2 . 15370 1 875 . 1 1 93 93 LEU HB3 H 1 1.662 0.02 . 2 . . . . 93 LEU HB3 . 15370 1 876 . 1 1 93 93 LEU C C 13 177.444 0.3 . 1 . . . . 93 LEU C . 15370 1 877 . 1 1 93 93 LEU CA C 13 55.187 0.3 . 1 . . . . 93 LEU CA . 15370 1 878 . 1 1 93 93 LEU CB C 13 42.551 0.3 . 1 . . . . 93 LEU CB . 15370 1 879 . 1 1 93 93 LEU N N 15 124.440 0.3 . 1 . . . . 93 LEU N . 15370 1 880 . 1 1 94 94 THR H H 1 8.183 0.02 . 1 . . . . 94 THR H . 15370 1 881 . 1 1 94 94 THR HA H 1 4.444 0.02 . 1 . . . . 94 THR HA . 15370 1 882 . 1 1 94 94 THR HB H 1 4.299 0.02 . 1 . . . . 94 THR HB . 15370 1 883 . 1 1 94 94 THR HG21 H 1 1.208 0.02 . 1 . . . . 94 THR HG2 . 15370 1 884 . 1 1 94 94 THR HG22 H 1 1.208 0.02 . 1 . . . . 94 THR HG2 . 15370 1 885 . 1 1 94 94 THR HG23 H 1 1.208 0.02 . 1 . . . . 94 THR HG2 . 15370 1 886 . 1 1 94 94 THR C C 13 174.383 0.3 . 1 . . . . 94 THR C . 15370 1 887 . 1 1 94 94 THR CA C 13 61.515 0.3 . 1 . . . . 94 THR CA . 15370 1 888 . 1 1 94 94 THR CB C 13 70.080 0.3 . 1 . . . . 94 THR CB . 15370 1 889 . 1 1 94 94 THR CG2 C 13 21.657 0.3 . 1 . . . . 94 THR CG2 . 15370 1 890 . 1 1 94 94 THR N N 15 114.261 0.3 . 1 . . . . 94 THR N . 15370 1 891 . 1 1 95 95 SER H H 1 8.394 0.02 . 1 . . . . 95 SER H . 15370 1 892 . 1 1 95 95 SER HA H 1 4.502 0.02 . 1 . . . . 95 SER HA . 15370 1 893 . 1 1 95 95 SER HB2 H 1 3.882 0.02 . 2 . . . . 95 SER HB2 . 15370 1 894 . 1 1 95 95 SER HB3 H 1 3.882 0.02 . 2 . . . . 95 SER HB3 . 15370 1 895 . 1 1 95 95 SER C C 13 173.465 0.3 . 1 . . . . 95 SER C . 15370 1 896 . 1 1 95 95 SER CA C 13 58.383 0.3 . 1 . . . . 95 SER CA . 15370 1 897 . 1 1 95 95 SER CB C 13 64.103 0.3 . 1 . . . . 95 SER CB . 15370 1 898 . 1 1 95 95 SER N N 15 117.878 0.3 . 1 . . . . 95 SER N . 15370 1 899 . 1 1 96 96 ASN H H 1 8.170 0.02 . 1 . . . . 96 ASN H . 15370 1 900 . 1 1 96 96 ASN HA H 1 4.505 0.02 . 1 . . . . 96 ASN HA . 15370 1 901 . 1 1 96 96 ASN HB2 H 1 2.733 0.02 . 2 . . . . 96 ASN HB2 . 15370 1 902 . 1 1 96 96 ASN HB3 H 1 2.733 0.02 . 2 . . . . 96 ASN HB3 . 15370 1 903 . 1 1 96 96 ASN HD21 H 1 7.567 0.02 . 2 . . . . 96 ASN HD21 . 15370 1 904 . 1 1 96 96 ASN HD22 H 1 6.855 0.02 . 2 . . . . 96 ASN HD22 . 15370 1 905 . 1 1 96 96 ASN C C 13 179.586 0.3 . 1 . . . . 96 ASN C . 15370 1 906 . 1 1 96 96 ASN CA C 13 54.935 0.3 . 1 . . . . 96 ASN CA . 15370 1 907 . 1 1 96 96 ASN CB C 13 40.278 0.3 . 1 . . . . 96 ASN CB . 15370 1 908 . 1 1 96 96 ASN N N 15 125.905 0.3 . 1 . . . . 96 ASN N . 15370 1 909 . 1 1 96 96 ASN ND2 N 15 112.844 0.3 . 1 . . . . 96 ASN ND2 . 15370 1 stop_ save_