data_11417 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11417 _Entry.Title ; Solution structure of the J domain of DnaJ homolog subfamily B member 8 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-09-24 _Entry.Accession_date 2010-09-24 _Entry.Last_release_date 2010-10-08 _Entry.Original_release_date 2010-10-08 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.14 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Ohnishi . . . 11417 2 N. Tochio . . . 11417 3 S. Koshiba . . . 11417 4 M. Inoue . . . 11417 5 T. Kigawa . . . 11417 6 S. Yokoyama . . . 11417 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11417 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11417 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 373 11417 '15N chemical shifts' 87 11417 '1H chemical shifts' 554 11417 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-10-08 2010-09-24 original author . 11417 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2DMX 'BMRB Entry Tracking System' 11417 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11417 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of the J domain of DnaJ homolog subfamily B member 8' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 S. Ohnishi . . . 11417 1 2 N. Tochio . . . 11417 1 3 S. Koshiba . . . 11417 1 4 M. Inoue . . . 11417 1 5 T. Kigawa . . . 11417 1 6 S. Yokoyama . . . 11417 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11417 _Assembly.ID 1 _Assembly.Name 'DnaJ homolog subfamily B member 8' _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 'DnaJ domain' 1 $entity_1 A . yes native no no . . . 11417 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2dmx . . . . . . 11417 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11417 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'DnaJ domain' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSSGSSGMANYYEVLGVQAS ASPEDIKKAYRKLALRWHPD KNPDNKEEAEKKFKLVSEAY EVLSDSKKRSLYDRAGCDSW RAGGGASGPSSG ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2DMX . "Solution Structure Of The J Domain Of Dnaj Homolog Subfamily B Member 8" . . . . . 100.00 92 100.00 100.00 1.14e-57 . . . . 11417 1 2 no DBJ BAE01188 . "unnamed protein product [Macaca fascicularis]" . . . . . 89.13 232 97.56 97.56 4.61e-49 . . . . 11417 1 3 no DBJ BAG54269 . "unnamed protein product [Homo sapiens]" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 4 no DBJ BAG54285 . "unnamed protein product [Homo sapiens]" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 5 no GB AAH29521 . "DnaJ (Hsp40) homolog, subfamily B, member 8 [Homo sapiens]" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 6 no GB AAH50288 . "DnaJ (Hsp40) homolog, subfamily B, member 8 [Homo sapiens]" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 7 no GB ADQ32829 . "DnaJ (Hsp40) homolog, subfamily B, member 8 [synthetic construct]" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 8 no GB AIC53322 . "DNAJB8, partial [synthetic construct]" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 9 no GB EAW79320 . "hCG2036862 [Homo sapiens]" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 10 no REF NP_001271507 . "uncharacterized protein LOC101867158 [Macaca fascicularis]" . . . . . 89.13 232 97.56 97.56 4.61e-49 . . . . 11417 1 11 no REF NP_699161 . "dnaJ homolog subfamily B member 8 [Homo sapiens]" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 12 no REF XP_001097989 . "PREDICTED: dnaJ homolog subfamily B member 8 isoform 1 [Macaca mulatta]" . . . . . 89.13 232 97.56 97.56 4.61e-49 . . . . 11417 1 13 no REF XP_005979495 . "PREDICTED: dnaJ homolog subfamily B member 8 [Pantholops hodgsonii]" . . . . . 75.00 191 98.55 98.55 1.05e-38 . . . . 11417 1 14 no REF XP_006713582 . "PREDICTED: dnaJ homolog subfamily B member 8 isoform X1 [Homo sapiens]" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 15 no SP Q8NHS0 . "RecName: Full=DnaJ homolog subfamily B member 8" . . . . . 89.13 232 98.78 98.78 6.06e-50 . . . . 11417 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'DnaJ domain' . 11417 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 11417 1 2 . SER . 11417 1 3 . SER . 11417 1 4 . GLY . 11417 1 5 . SER . 11417 1 6 . SER . 11417 1 7 . GLY . 11417 1 8 . MET . 11417 1 9 . ALA . 11417 1 10 . ASN . 11417 1 11 . TYR . 11417 1 12 . TYR . 11417 1 13 . GLU . 11417 1 14 . VAL . 11417 1 15 . LEU . 11417 1 16 . GLY . 11417 1 17 . VAL . 11417 1 18 . GLN . 11417 1 19 . ALA . 11417 1 20 . SER . 11417 1 21 . ALA . 11417 1 22 . SER . 11417 1 23 . PRO . 11417 1 24 . GLU . 11417 1 25 . ASP . 11417 1 26 . ILE . 11417 1 27 . LYS . 11417 1 28 . LYS . 11417 1 29 . ALA . 11417 1 30 . TYR . 11417 1 31 . ARG . 11417 1 32 . LYS . 11417 1 33 . LEU . 11417 1 34 . ALA . 11417 1 35 . LEU . 11417 1 36 . ARG . 11417 1 37 . TRP . 11417 1 38 . HIS . 11417 1 39 . PRO . 11417 1 40 . ASP . 11417 1 41 . LYS . 11417 1 42 . ASN . 11417 1 43 . PRO . 11417 1 44 . ASP . 11417 1 45 . ASN . 11417 1 46 . LYS . 11417 1 47 . GLU . 11417 1 48 . GLU . 11417 1 49 . ALA . 11417 1 50 . GLU . 11417 1 51 . LYS . 11417 1 52 . LYS . 11417 1 53 . PHE . 11417 1 54 . LYS . 11417 1 55 . LEU . 11417 1 56 . VAL . 11417 1 57 . SER . 11417 1 58 . GLU . 11417 1 59 . ALA . 11417 1 60 . TYR . 11417 1 61 . GLU . 11417 1 62 . VAL . 11417 1 63 . LEU . 11417 1 64 . SER . 11417 1 65 . ASP . 11417 1 66 . SER . 11417 1 67 . LYS . 11417 1 68 . LYS . 11417 1 69 . ARG . 11417 1 70 . SER . 11417 1 71 . LEU . 11417 1 72 . TYR . 11417 1 73 . ASP . 11417 1 74 . ARG . 11417 1 75 . ALA . 11417 1 76 . GLY . 11417 1 77 . CYS . 11417 1 78 . ASP . 11417 1 79 . SER . 11417 1 80 . TRP . 11417 1 81 . ARG . 11417 1 82 . ALA . 11417 1 83 . GLY . 11417 1 84 . GLY . 11417 1 85 . GLY . 11417 1 86 . ALA . 11417 1 87 . SER . 11417 1 88 . GLY . 11417 1 89 . PRO . 11417 1 90 . SER . 11417 1 91 . SER . 11417 1 92 . GLY . 11417 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 11417 1 . SER 2 2 11417 1 . SER 3 3 11417 1 . GLY 4 4 11417 1 . SER 5 5 11417 1 . SER 6 6 11417 1 . GLY 7 7 11417 1 . MET 8 8 11417 1 . ALA 9 9 11417 1 . ASN 10 10 11417 1 . TYR 11 11 11417 1 . TYR 12 12 11417 1 . GLU 13 13 11417 1 . VAL 14 14 11417 1 . LEU 15 15 11417 1 . GLY 16 16 11417 1 . VAL 17 17 11417 1 . GLN 18 18 11417 1 . ALA 19 19 11417 1 . SER 20 20 11417 1 . ALA 21 21 11417 1 . SER 22 22 11417 1 . PRO 23 23 11417 1 . GLU 24 24 11417 1 . ASP 25 25 11417 1 . ILE 26 26 11417 1 . LYS 27 27 11417 1 . LYS 28 28 11417 1 . ALA 29 29 11417 1 . TYR 30 30 11417 1 . ARG 31 31 11417 1 . LYS 32 32 11417 1 . LEU 33 33 11417 1 . ALA 34 34 11417 1 . LEU 35 35 11417 1 . ARG 36 36 11417 1 . TRP 37 37 11417 1 . HIS 38 38 11417 1 . PRO 39 39 11417 1 . ASP 40 40 11417 1 . LYS 41 41 11417 1 . ASN 42 42 11417 1 . PRO 43 43 11417 1 . ASP 44 44 11417 1 . ASN 45 45 11417 1 . LYS 46 46 11417 1 . GLU 47 47 11417 1 . GLU 48 48 11417 1 . ALA 49 49 11417 1 . GLU 50 50 11417 1 . LYS 51 51 11417 1 . LYS 52 52 11417 1 . PHE 53 53 11417 1 . LYS 54 54 11417 1 . LEU 55 55 11417 1 . VAL 56 56 11417 1 . SER 57 57 11417 1 . GLU 58 58 11417 1 . ALA 59 59 11417 1 . TYR 60 60 11417 1 . GLU 61 61 11417 1 . VAL 62 62 11417 1 . LEU 63 63 11417 1 . SER 64 64 11417 1 . ASP 65 65 11417 1 . SER 66 66 11417 1 . LYS 67 67 11417 1 . LYS 68 68 11417 1 . ARG 69 69 11417 1 . SER 70 70 11417 1 . LEU 71 71 11417 1 . TYR 72 72 11417 1 . ASP 73 73 11417 1 . ARG 74 74 11417 1 . ALA 75 75 11417 1 . GLY 76 76 11417 1 . CYS 77 77 11417 1 . ASP 78 78 11417 1 . SER 79 79 11417 1 . TRP 80 80 11417 1 . ARG 81 81 11417 1 . ALA 82 82 11417 1 . GLY 83 83 11417 1 . GLY 84 84 11417 1 . GLY 85 85 11417 1 . ALA 86 86 11417 1 . SER 87 87 11417 1 . GLY 88 88 11417 1 . PRO 89 89 11417 1 . SER 90 90 11417 1 . SER 91 91 11417 1 . GLY 92 92 11417 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 11417 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 11417 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 11417 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050613-27 . . . . . . 11417 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11417 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.3mM protein U-15N, {13C;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'DnaJ domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.3 . . mM . . . . 11417 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11417 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11417 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11417 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11417 1 6 H2O . . . . . . solvent 90 . . % . . . . 11417 1 7 D2O . . . . . . solvent 10 . . % . . . . 11417 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 11417 _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' 120 0.1 mM 11417 1 pH 7.0 0.05 pH 11417 1 pressure 1 0.001 atm 11417 1 temperature 296 0.1 K 11417 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11417 _Software.ID 1 _Software.Name xwinnmr _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 11417 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11417 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11417 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20030801 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11417 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11417 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11417 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, B.A.' . . 11417 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11417 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11417 _Software.ID 4 _Software.Name Kujira _Software.Version 0.965 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11417 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11417 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11417 _Software.ID 5 _Software.Name CYANA _Software.Version 2.0.17 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 11417 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 11417 5 'structure solution' 11417 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 11417 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 11417 _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 . 900 . . . 11417 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 11417 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11417 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11417 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode reference_1 _Chem_shift_reference.Entry_ID 11417 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11417 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11417 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11417 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_1 _Assigned_chem_shift_list.Entry_ID 11417 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11417 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11417 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $XWINNMR . . 11417 1 2 $NMRPipe . . 11417 1 3 $NMRView . . 11417 1 4 $Kujira . . 11417 1 5 $CYANA . . 11417 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 6 6 SER HA H 1 4.449 0.030 . 1 . . . . 6 SER HA . 11417 1 2 . 1 1 6 6 SER HB2 H 1 3.906 0.030 . 1 . . . . 6 SER HB2 . 11417 1 3 . 1 1 6 6 SER HB3 H 1 3.906 0.030 . 1 . . . . 6 SER HB3 . 11417 1 4 . 1 1 6 6 SER C C 13 175.076 0.300 . 1 . . . . 6 SER C . 11417 1 5 . 1 1 6 6 SER CA C 13 58.752 0.300 . 1 . . . . 6 SER CA . 11417 1 6 . 1 1 6 6 SER CB C 13 63.905 0.300 . 1 . . . . 6 SER CB . 11417 1 7 . 1 1 7 7 GLY H H 1 8.394 0.030 . 1 . . . . 7 GLY H . 11417 1 8 . 1 1 7 7 GLY HA2 H 1 3.940 0.030 . 1 . . . . 7 GLY HA2 . 11417 1 9 . 1 1 7 7 GLY HA3 H 1 3.940 0.030 . 1 . . . . 7 GLY HA3 . 11417 1 10 . 1 1 7 7 GLY C C 13 173.918 0.300 . 1 . . . . 7 GLY C . 11417 1 11 . 1 1 7 7 GLY CA C 13 45.400 0.300 . 1 . . . . 7 GLY CA . 11417 1 12 . 1 1 7 7 GLY N N 15 110.702 0.300 . 1 . . . . 7 GLY N . 11417 1 13 . 1 1 8 8 MET H H 1 8.101 0.030 . 1 . . . . 8 MET H . 11417 1 14 . 1 1 8 8 MET HA H 1 4.438 0.030 . 1 . . . . 8 MET HA . 11417 1 15 . 1 1 8 8 MET HB2 H 1 2.023 0.030 . 2 . . . . 8 MET HB2 . 11417 1 16 . 1 1 8 8 MET HB3 H 1 1.935 0.030 . 2 . . . . 8 MET HB3 . 11417 1 17 . 1 1 8 8 MET HE1 H 1 2.070 0.030 . 1 . . . . 8 MET HE . 11417 1 18 . 1 1 8 8 MET HE2 H 1 2.070 0.030 . 1 . . . . 8 MET HE . 11417 1 19 . 1 1 8 8 MET HE3 H 1 2.070 0.030 . 1 . . . . 8 MET HE . 11417 1 20 . 1 1 8 8 MET HG2 H 1 2.547 0.030 . 2 . . . . 8 MET HG2 . 11417 1 21 . 1 1 8 8 MET HG3 H 1 2.507 0.030 . 2 . . . . 8 MET HG3 . 11417 1 22 . 1 1 8 8 MET C C 13 175.667 0.300 . 1 . . . . 8 MET C . 11417 1 23 . 1 1 8 8 MET CA C 13 55.177 0.300 . 1 . . . . 8 MET CA . 11417 1 24 . 1 1 8 8 MET CB C 13 33.381 0.300 . 1 . . . . 8 MET CB . 11417 1 25 . 1 1 8 8 MET CE C 13 17.147 0.300 . 1 . . . . 8 MET CE . 11417 1 26 . 1 1 8 8 MET CG C 13 31.930 0.300 . 1 . . . . 8 MET CG . 11417 1 27 . 1 1 8 8 MET N N 15 119.797 0.300 . 1 . . . . 8 MET N . 11417 1 28 . 1 1 9 9 ALA H H 1 8.234 0.030 . 1 . . . . 9 ALA H . 11417 1 29 . 1 1 9 9 ALA HA H 1 4.204 0.030 . 1 . . . . 9 ALA HA . 11417 1 30 . 1 1 9 9 ALA HB1 H 1 1.203 0.030 . 1 . . . . 9 ALA HB . 11417 1 31 . 1 1 9 9 ALA HB2 H 1 1.203 0.030 . 1 . . . . 9 ALA HB . 11417 1 32 . 1 1 9 9 ALA HB3 H 1 1.203 0.030 . 1 . . . . 9 ALA HB . 11417 1 33 . 1 1 9 9 ALA C C 13 176.581 0.300 . 1 . . . . 9 ALA C . 11417 1 34 . 1 1 9 9 ALA CA C 13 52.205 0.300 . 1 . . . . 9 ALA CA . 11417 1 35 . 1 1 9 9 ALA CB C 13 19.683 0.300 . 1 . . . . 9 ALA CB . 11417 1 36 . 1 1 9 9 ALA N N 15 125.304 0.300 . 1 . . . . 9 ALA N . 11417 1 37 . 1 1 10 10 ASN H H 1 8.551 0.030 . 1 . . . . 10 ASN H . 11417 1 38 . 1 1 10 10 ASN HA H 1 4.570 0.030 . 1 . . . . 10 ASN HA . 11417 1 39 . 1 1 10 10 ASN HB2 H 1 2.963 0.030 . 1 . . . . 10 ASN HB2 . 11417 1 40 . 1 1 10 10 ASN HB3 H 1 2.963 0.030 . 1 . . . . 10 ASN HB3 . 11417 1 41 . 1 1 10 10 ASN HD21 H 1 7.717 0.030 . 2 . . . . 10 ASN HD21 . 11417 1 42 . 1 1 10 10 ASN HD22 H 1 7.234 0.030 . 2 . . . . 10 ASN HD22 . 11417 1 43 . 1 1 10 10 ASN C C 13 176.234 0.300 . 1 . . . . 10 ASN C . 11417 1 44 . 1 1 10 10 ASN CA C 13 52.112 0.300 . 1 . . . . 10 ASN CA . 11417 1 45 . 1 1 10 10 ASN CB C 13 38.672 0.300 . 1 . . . . 10 ASN CB . 11417 1 46 . 1 1 10 10 ASN N N 15 118.594 0.300 . 1 . . . . 10 ASN N . 11417 1 47 . 1 1 10 10 ASN ND2 N 15 113.708 0.300 . 1 . . . . 10 ASN ND2 . 11417 1 48 . 1 1 11 11 TYR H H 1 8.081 0.030 . 1 . . . . 11 TYR H . 11417 1 49 . 1 1 11 11 TYR HA H 1 4.245 0.030 . 1 . . . . 11 TYR HA . 11417 1 50 . 1 1 11 11 TYR HB2 H 1 1.996 0.030 . 2 . . . . 11 TYR HB2 . 11417 1 51 . 1 1 11 11 TYR HB3 H 1 2.692 0.030 . 2 . . . . 11 TYR HB3 . 11417 1 52 . 1 1 11 11 TYR HD1 H 1 6.078 0.030 . 1 . . . . 11 TYR HD1 . 11417 1 53 . 1 1 11 11 TYR HD2 H 1 6.078 0.030 . 1 . . . . 11 TYR HD2 . 11417 1 54 . 1 1 11 11 TYR HE1 H 1 6.559 0.030 . 1 . . . . 11 TYR HE1 . 11417 1 55 . 1 1 11 11 TYR HE2 H 1 6.559 0.030 . 1 . . . . 11 TYR HE2 . 11417 1 56 . 1 1 11 11 TYR C C 13 177.228 0.300 . 1 . . . . 11 TYR C . 11417 1 57 . 1 1 11 11 TYR CA C 13 58.163 0.300 . 1 . . . . 11 TYR CA . 11417 1 58 . 1 1 11 11 TYR CB C 13 37.702 0.300 . 1 . . . . 11 TYR CB . 11417 1 59 . 1 1 11 11 TYR CD1 C 13 130.160 0.300 . 1 . . . . 11 TYR CD1 . 11417 1 60 . 1 1 11 11 TYR CD2 C 13 130.160 0.300 . 1 . . . . 11 TYR CD2 . 11417 1 61 . 1 1 11 11 TYR CE1 C 13 118.422 0.300 . 1 . . . . 11 TYR CE1 . 11417 1 62 . 1 1 11 11 TYR CE2 C 13 118.422 0.300 . 1 . . . . 11 TYR CE2 . 11417 1 63 . 1 1 11 11 TYR N N 15 121.022 0.300 . 1 . . . . 11 TYR N . 11417 1 64 . 1 1 12 12 TYR H H 1 7.726 0.030 . 1 . . . . 12 TYR H . 11417 1 65 . 1 1 12 12 TYR HA H 1 3.883 0.030 . 1 . . . . 12 TYR HA . 11417 1 66 . 1 1 12 12 TYR HB2 H 1 3.011 0.030 . 2 . . . . 12 TYR HB2 . 11417 1 67 . 1 1 12 12 TYR HB3 H 1 3.183 0.030 . 2 . . . . 12 TYR HB3 . 11417 1 68 . 1 1 12 12 TYR HD1 H 1 7.065 0.030 . 1 . . . . 12 TYR HD1 . 11417 1 69 . 1 1 12 12 TYR HD2 H 1 7.065 0.030 . 1 . . . . 12 TYR HD2 . 11417 1 70 . 1 1 12 12 TYR HE1 H 1 6.909 0.030 . 1 . . . . 12 TYR HE1 . 11417 1 71 . 1 1 12 12 TYR HE2 H 1 6.909 0.030 . 1 . . . . 12 TYR HE2 . 11417 1 72 . 1 1 12 12 TYR C C 13 178.105 0.300 . 1 . . . . 12 TYR C . 11417 1 73 . 1 1 12 12 TYR CA C 13 62.249 0.300 . 1 . . . . 12 TYR CA . 11417 1 74 . 1 1 12 12 TYR CB C 13 35.850 0.300 . 1 . . . . 12 TYR CB . 11417 1 75 . 1 1 12 12 TYR CD1 C 13 133.070 0.300 . 1 . . . . 12 TYR CD1 . 11417 1 76 . 1 1 12 12 TYR CD2 C 13 133.070 0.300 . 1 . . . . 12 TYR CD2 . 11417 1 77 . 1 1 12 12 TYR CE1 C 13 118.473 0.300 . 1 . . . . 12 TYR CE1 . 11417 1 78 . 1 1 12 12 TYR CE2 C 13 118.473 0.300 . 1 . . . . 12 TYR CE2 . 11417 1 79 . 1 1 12 12 TYR N N 15 116.876 0.300 . 1 . . . . 12 TYR N . 11417 1 80 . 1 1 13 13 GLU H H 1 7.620 0.030 . 1 . . . . 13 GLU H . 11417 1 81 . 1 1 13 13 GLU HA H 1 4.134 0.030 . 1 . . . . 13 GLU HA . 11417 1 82 . 1 1 13 13 GLU HB2 H 1 2.154 0.030 . 1 . . . . 13 GLU HB2 . 11417 1 83 . 1 1 13 13 GLU HB3 H 1 2.154 0.030 . 1 . . . . 13 GLU HB3 . 11417 1 84 . 1 1 13 13 GLU HG2 H 1 2.396 0.030 . 2 . . . . 13 GLU HG2 . 11417 1 85 . 1 1 13 13 GLU HG3 H 1 2.263 0.030 . 2 . . . . 13 GLU HG3 . 11417 1 86 . 1 1 13 13 GLU C C 13 180.696 0.300 . 1 . . . . 13 GLU C . 11417 1 87 . 1 1 13 13 GLU CA C 13 58.998 0.300 . 1 . . . . 13 GLU CA . 11417 1 88 . 1 1 13 13 GLU CB C 13 29.583 0.300 . 1 . . . . 13 GLU CB . 11417 1 89 . 1 1 13 13 GLU CG C 13 36.665 0.300 . 1 . . . . 13 GLU CG . 11417 1 90 . 1 1 13 13 GLU N N 15 119.758 0.300 . 1 . . . . 13 GLU N . 11417 1 91 . 1 1 14 14 VAL H H 1 8.235 0.030 . 1 . . . . 14 VAL H . 11417 1 92 . 1 1 14 14 VAL HA H 1 3.617 0.030 . 1 . . . . 14 VAL HA . 11417 1 93 . 1 1 14 14 VAL HB H 1 2.221 0.030 . 1 . . . . 14 VAL HB . 11417 1 94 . 1 1 14 14 VAL HG11 H 1 0.856 0.030 . 1 . . . . 14 VAL HG1 . 11417 1 95 . 1 1 14 14 VAL HG12 H 1 0.856 0.030 . 1 . . . . 14 VAL HG1 . 11417 1 96 . 1 1 14 14 VAL HG13 H 1 0.856 0.030 . 1 . . . . 14 VAL HG1 . 11417 1 97 . 1 1 14 14 VAL HG21 H 1 1.092 0.030 . 1 . . . . 14 VAL HG2 . 11417 1 98 . 1 1 14 14 VAL HG22 H 1 1.092 0.030 . 1 . . . . 14 VAL HG2 . 11417 1 99 . 1 1 14 14 VAL HG23 H 1 1.092 0.030 . 1 . . . . 14 VAL HG2 . 11417 1 100 . 1 1 14 14 VAL C C 13 177.523 0.300 . 1 . . . . 14 VAL C . 11417 1 101 . 1 1 14 14 VAL CA C 13 66.300 0.300 . 1 . . . . 14 VAL CA . 11417 1 102 . 1 1 14 14 VAL CB C 13 31.673 0.300 . 1 . . . . 14 VAL CB . 11417 1 103 . 1 1 14 14 VAL CG1 C 13 22.109 0.300 . 2 . . . . 14 VAL CG1 . 11417 1 104 . 1 1 14 14 VAL CG2 C 13 23.140 0.300 . 2 . . . . 14 VAL CG2 . 11417 1 105 . 1 1 14 14 VAL N N 15 120.393 0.300 . 1 . . . . 14 VAL N . 11417 1 106 . 1 1 15 15 LEU H H 1 7.063 0.030 . 1 . . . . 15 LEU H . 11417 1 107 . 1 1 15 15 LEU HA H 1 4.355 0.030 . 1 . . . . 15 LEU HA . 11417 1 108 . 1 1 15 15 LEU HB2 H 1 1.634 0.030 . 2 . . . . 15 LEU HB2 . 11417 1 109 . 1 1 15 15 LEU HB3 H 1 1.791 0.030 . 2 . . . . 15 LEU HB3 . 11417 1 110 . 1 1 15 15 LEU HD11 H 1 0.873 0.030 . 1 . . . . 15 LEU HD1 . 11417 1 111 . 1 1 15 15 LEU HD12 H 1 0.873 0.030 . 1 . . . . 15 LEU HD1 . 11417 1 112 . 1 1 15 15 LEU HD13 H 1 0.873 0.030 . 1 . . . . 15 LEU HD1 . 11417 1 113 . 1 1 15 15 LEU HD21 H 1 1.001 0.030 . 1 . . . . 15 LEU HD2 . 11417 1 114 . 1 1 15 15 LEU HD22 H 1 1.001 0.030 . 1 . . . . 15 LEU HD2 . 11417 1 115 . 1 1 15 15 LEU HD23 H 1 1.001 0.030 . 1 . . . . 15 LEU HD2 . 11417 1 116 . 1 1 15 15 LEU HG H 1 1.844 0.030 . 1 . . . . 15 LEU HG . 11417 1 117 . 1 1 15 15 LEU C C 13 175.763 0.300 . 1 . . . . 15 LEU C . 11417 1 118 . 1 1 15 15 LEU CA C 13 54.636 0.300 . 1 . . . . 15 LEU CA . 11417 1 119 . 1 1 15 15 LEU CB C 13 42.494 0.300 . 1 . . . . 15 LEU CB . 11417 1 120 . 1 1 15 15 LEU CD1 C 13 27.178 0.300 . 2 . . . . 15 LEU CD1 . 11417 1 121 . 1 1 15 15 LEU CD2 C 13 23.646 0.300 . 2 . . . . 15 LEU CD2 . 11417 1 122 . 1 1 15 15 LEU CG C 13 26.678 0.300 . 1 . . . . 15 LEU CG . 11417 1 123 . 1 1 15 15 LEU N N 15 114.188 0.300 . 1 . . . . 15 LEU N . 11417 1 124 . 1 1 16 16 GLY H H 1 7.979 0.030 . 1 . . . . 16 GLY H . 11417 1 125 . 1 1 16 16 GLY HA2 H 1 3.968 0.030 . 2 . . . . 16 GLY HA2 . 11417 1 126 . 1 1 16 16 GLY HA3 H 1 3.925 0.030 . 2 . . . . 16 GLY HA3 . 11417 1 127 . 1 1 16 16 GLY C C 13 175.472 0.300 . 1 . . . . 16 GLY C . 11417 1 128 . 1 1 16 16 GLY CA C 13 46.557 0.300 . 1 . . . . 16 GLY CA . 11417 1 129 . 1 1 16 16 GLY N N 15 108.672 0.300 . 1 . . . . 16 GLY N . 11417 1 130 . 1 1 17 17 VAL H H 1 8.017 0.030 . 1 . . . . 17 VAL H . 11417 1 131 . 1 1 17 17 VAL HA H 1 4.809 0.030 . 1 . . . . 17 VAL HA . 11417 1 132 . 1 1 17 17 VAL HB H 1 2.437 0.030 . 1 . . . . 17 VAL HB . 11417 1 133 . 1 1 17 17 VAL HG11 H 1 0.774 0.030 . 1 . . . . 17 VAL HG1 . 11417 1 134 . 1 1 17 17 VAL HG12 H 1 0.774 0.030 . 1 . . . . 17 VAL HG1 . 11417 1 135 . 1 1 17 17 VAL HG13 H 1 0.774 0.030 . 1 . . . . 17 VAL HG1 . 11417 1 136 . 1 1 17 17 VAL HG21 H 1 0.957 0.030 . 1 . . . . 17 VAL HG2 . 11417 1 137 . 1 1 17 17 VAL HG22 H 1 0.957 0.030 . 1 . . . . 17 VAL HG2 . 11417 1 138 . 1 1 17 17 VAL HG23 H 1 0.957 0.030 . 1 . . . . 17 VAL HG2 . 11417 1 139 . 1 1 17 17 VAL C C 13 174.772 0.300 . 1 . . . . 17 VAL C . 11417 1 140 . 1 1 17 17 VAL CA C 13 58.308 0.300 . 1 . . . . 17 VAL CA . 11417 1 141 . 1 1 17 17 VAL CB C 13 34.877 0.300 . 1 . . . . 17 VAL CB . 11417 1 142 . 1 1 17 17 VAL CG1 C 13 21.747 0.300 . 2 . . . . 17 VAL CG1 . 11417 1 143 . 1 1 17 17 VAL CG2 C 13 19.145 0.300 . 2 . . . . 17 VAL CG2 . 11417 1 144 . 1 1 17 17 VAL N N 15 110.867 0.300 . 1 . . . . 17 VAL N . 11417 1 145 . 1 1 18 18 GLN H H 1 8.361 0.030 . 1 . . . . 18 GLN H . 11417 1 146 . 1 1 18 18 GLN HA H 1 4.358 0.030 . 1 . . . . 18 GLN HA . 11417 1 147 . 1 1 18 18 GLN HB2 H 1 1.802 0.030 . 2 . . . . 18 GLN HB2 . 11417 1 148 . 1 1 18 18 GLN HB3 H 1 2.191 0.030 . 2 . . . . 18 GLN HB3 . 11417 1 149 . 1 1 18 18 GLN HE21 H 1 7.544 0.030 . 2 . . . . 18 GLN HE21 . 11417 1 150 . 1 1 18 18 GLN HE22 H 1 6.869 0.030 . 2 . . . . 18 GLN HE22 . 11417 1 151 . 1 1 18 18 GLN HG2 H 1 2.382 0.030 . 1 . . . . 18 GLN HG2 . 11417 1 152 . 1 1 18 18 GLN HG3 H 1 2.382 0.030 . 1 . . . . 18 GLN HG3 . 11417 1 153 . 1 1 18 18 GLN C C 13 176.551 0.300 . 1 . . . . 18 GLN C . 11417 1 154 . 1 1 18 18 GLN CA C 13 54.561 0.300 . 1 . . . . 18 GLN CA . 11417 1 155 . 1 1 18 18 GLN CB C 13 30.527 0.300 . 1 . . . . 18 GLN CB . 11417 1 156 . 1 1 18 18 GLN CG C 13 34.185 0.300 . 1 . . . . 18 GLN CG . 11417 1 157 . 1 1 18 18 GLN N N 15 117.808 0.300 . 1 . . . . 18 GLN N . 11417 1 158 . 1 1 18 18 GLN NE2 N 15 113.318 0.300 . 1 . . . . 18 GLN NE2 . 11417 1 159 . 1 1 19 19 ALA H H 1 8.352 0.030 . 1 . . . . 19 ALA H . 11417 1 160 . 1 1 19 19 ALA HA H 1 2.452 0.030 . 1 . . . . 19 ALA HA . 11417 1 161 . 1 1 19 19 ALA HB1 H 1 0.953 0.030 . 1 . . . . 19 ALA HB . 11417 1 162 . 1 1 19 19 ALA HB2 H 1 0.953 0.030 . 1 . . . . 19 ALA HB . 11417 1 163 . 1 1 19 19 ALA HB3 H 1 0.953 0.030 . 1 . . . . 19 ALA HB . 11417 1 164 . 1 1 19 19 ALA C C 13 177.457 0.300 . 1 . . . . 19 ALA C . 11417 1 165 . 1 1 19 19 ALA CA C 13 53.644 0.300 . 1 . . . . 19 ALA CA . 11417 1 166 . 1 1 19 19 ALA CB C 13 18.155 0.300 . 1 . . . . 19 ALA CB . 11417 1 167 . 1 1 19 19 ALA N N 15 121.599 0.300 . 1 . . . . 19 ALA N . 11417 1 168 . 1 1 20 20 SER H H 1 7.116 0.030 . 1 . . . . 20 SER H . 11417 1 169 . 1 1 20 20 SER HA H 1 4.271 0.030 . 1 . . . . 20 SER HA . 11417 1 170 . 1 1 20 20 SER HB2 H 1 3.667 0.030 . 2 . . . . 20 SER HB2 . 11417 1 171 . 1 1 20 20 SER HB3 H 1 4.113 0.030 . 2 . . . . 20 SER HB3 . 11417 1 172 . 1 1 20 20 SER C C 13 174.632 0.300 . 1 . . . . 20 SER C . 11417 1 173 . 1 1 20 20 SER CA C 13 56.707 0.300 . 1 . . . . 20 SER CA . 11417 1 174 . 1 1 20 20 SER CB C 13 63.146 0.300 . 1 . . . . 20 SER CB . 11417 1 175 . 1 1 20 20 SER N N 15 106.905 0.300 . 1 . . . . 20 SER N . 11417 1 176 . 1 1 21 21 ALA H H 1 7.729 0.030 . 1 . . . . 21 ALA H . 11417 1 177 . 1 1 21 21 ALA HA H 1 4.304 0.030 . 1 . . . . 21 ALA HA . 11417 1 178 . 1 1 21 21 ALA HB1 H 1 1.659 0.030 . 1 . . . . 21 ALA HB . 11417 1 179 . 1 1 21 21 ALA HB2 H 1 1.659 0.030 . 1 . . . . 21 ALA HB . 11417 1 180 . 1 1 21 21 ALA HB3 H 1 1.659 0.030 . 1 . . . . 21 ALA HB . 11417 1 181 . 1 1 21 21 ALA C C 13 177.774 0.300 . 1 . . . . 21 ALA C . 11417 1 182 . 1 1 21 21 ALA CA C 13 52.987 0.300 . 1 . . . . 21 ALA CA . 11417 1 183 . 1 1 21 21 ALA CB C 13 19.567 0.300 . 1 . . . . 21 ALA CB . 11417 1 184 . 1 1 21 21 ALA N N 15 124.674 0.300 . 1 . . . . 21 ALA N . 11417 1 185 . 1 1 22 22 SER H H 1 9.362 0.030 . 1 . . . . 22 SER H . 11417 1 186 . 1 1 22 22 SER HA H 1 4.902 0.030 . 1 . . . . 22 SER HA . 11417 1 187 . 1 1 22 22 SER HB2 H 1 4.517 0.030 . 2 . . . . 22 SER HB2 . 11417 1 188 . 1 1 22 22 SER HB3 H 1 4.116 0.030 . 2 . . . . 22 SER HB3 . 11417 1 189 . 1 1 22 22 SER C C 13 173.434 0.300 . 1 . . . . 22 SER C . 11417 1 190 . 1 1 22 22 SER CA C 13 56.428 0.300 . 1 . . . . 22 SER CA . 11417 1 191 . 1 1 22 22 SER CB C 13 63.285 0.300 . 1 . . . . 22 SER CB . 11417 1 192 . 1 1 22 22 SER N N 15 120.054 0.300 . 1 . . . . 22 SER N . 11417 1 193 . 1 1 23 23 PRO HA H 1 4.261 0.030 . 1 . . . . 23 PRO HA . 11417 1 194 . 1 1 23 23 PRO HB2 H 1 2.513 0.030 . 1 . . . . 23 PRO HB2 . 11417 1 195 . 1 1 23 23 PRO HB3 H 1 2.513 0.030 . 1 . . . . 23 PRO HB3 . 11417 1 196 . 1 1 23 23 PRO HD2 H 1 4.013 0.030 . 1 . . . . 23 PRO HD2 . 11417 1 197 . 1 1 23 23 PRO HD3 H 1 4.013 0.030 . 1 . . . . 23 PRO HD3 . 11417 1 198 . 1 1 23 23 PRO HG2 H 1 2.291 0.030 . 2 . . . . 23 PRO HG2 . 11417 1 199 . 1 1 23 23 PRO HG3 H 1 2.049 0.030 . 2 . . . . 23 PRO HG3 . 11417 1 200 . 1 1 23 23 PRO C C 13 179.871 0.300 . 1 . . . . 23 PRO C . 11417 1 201 . 1 1 23 23 PRO CA C 13 66.015 0.300 . 1 . . . . 23 PRO CA . 11417 1 202 . 1 1 23 23 PRO CB C 13 31.949 0.300 . 1 . . . . 23 PRO CB . 11417 1 203 . 1 1 23 23 PRO CD C 13 50.253 0.300 . 1 . . . . 23 PRO CD . 11417 1 204 . 1 1 23 23 PRO CG C 13 28.310 0.300 . 1 . . . . 23 PRO CG . 11417 1 205 . 1 1 24 24 GLU H H 1 8.461 0.030 . 1 . . . . 24 GLU H . 11417 1 206 . 1 1 24 24 GLU HA H 1 4.111 0.030 . 1 . . . . 24 GLU HA . 11417 1 207 . 1 1 24 24 GLU HB2 H 1 1.976 0.030 . 2 . . . . 24 GLU HB2 . 11417 1 208 . 1 1 24 24 GLU HB3 H 1 2.097 0.030 . 2 . . . . 24 GLU HB3 . 11417 1 209 . 1 1 24 24 GLU HG2 H 1 2.429 0.030 . 2 . . . . 24 GLU HG2 . 11417 1 210 . 1 1 24 24 GLU HG3 H 1 2.326 0.030 . 2 . . . . 24 GLU HG3 . 11417 1 211 . 1 1 24 24 GLU C C 13 178.675 0.300 . 1 . . . . 24 GLU C . 11417 1 212 . 1 1 24 24 GLU CA C 13 59.896 0.300 . 1 . . . . 24 GLU CA . 11417 1 213 . 1 1 24 24 GLU CB C 13 29.246 0.300 . 1 . . . . 24 GLU CB . 11417 1 214 . 1 1 24 24 GLU CG C 13 36.704 0.300 . 1 . . . . 24 GLU CG . 11417 1 215 . 1 1 24 24 GLU N N 15 117.803 0.300 . 1 . . . . 24 GLU N . 11417 1 216 . 1 1 25 25 ASP H H 1 8.124 0.030 . 1 . . . . 25 ASP H . 11417 1 217 . 1 1 25 25 ASP HA H 1 4.453 0.030 . 1 . . . . 25 ASP HA . 11417 1 218 . 1 1 25 25 ASP HB2 H 1 2.646 0.030 . 2 . . . . 25 ASP HB2 . 11417 1 219 . 1 1 25 25 ASP HB3 H 1 3.233 0.030 . 2 . . . . 25 ASP HB3 . 11417 1 220 . 1 1 25 25 ASP C C 13 180.170 0.300 . 1 . . . . 25 ASP C . 11417 1 221 . 1 1 25 25 ASP CA C 13 57.589 0.300 . 1 . . . . 25 ASP CA . 11417 1 222 . 1 1 25 25 ASP CB C 13 40.651 0.300 . 1 . . . . 25 ASP CB . 11417 1 223 . 1 1 25 25 ASP N N 15 122.224 0.300 . 1 . . . . 25 ASP N . 11417 1 224 . 1 1 26 26 ILE H H 1 8.067 0.030 . 1 . . . . 26 ILE H . 11417 1 225 . 1 1 26 26 ILE HA H 1 3.630 0.030 . 1 . . . . 26 ILE HA . 11417 1 226 . 1 1 26 26 ILE HB H 1 2.038 0.030 . 1 . . . . 26 ILE HB . 11417 1 227 . 1 1 26 26 ILE HD11 H 1 0.798 0.030 . 1 . . . . 26 ILE HD1 . 11417 1 228 . 1 1 26 26 ILE HD12 H 1 0.798 0.030 . 1 . . . . 26 ILE HD1 . 11417 1 229 . 1 1 26 26 ILE HD13 H 1 0.798 0.030 . 1 . . . . 26 ILE HD1 . 11417 1 230 . 1 1 26 26 ILE HG12 H 1 1.037 0.030 . 2 . . . . 26 ILE HG12 . 11417 1 231 . 1 1 26 26 ILE HG13 H 1 1.704 0.030 . 2 . . . . 26 ILE HG13 . 11417 1 232 . 1 1 26 26 ILE HG21 H 1 0.823 0.030 . 1 . . . . 26 ILE HG2 . 11417 1 233 . 1 1 26 26 ILE HG22 H 1 0.823 0.030 . 1 . . . . 26 ILE HG2 . 11417 1 234 . 1 1 26 26 ILE HG23 H 1 0.823 0.030 . 1 . . . . 26 ILE HG2 . 11417 1 235 . 1 1 26 26 ILE C C 13 176.816 0.300 . 1 . . . . 26 ILE C . 11417 1 236 . 1 1 26 26 ILE CA C 13 65.643 0.300 . 1 . . . . 26 ILE CA . 11417 1 237 . 1 1 26 26 ILE CB C 13 37.984 0.300 . 1 . . . . 26 ILE CB . 11417 1 238 . 1 1 26 26 ILE CD1 C 13 13.440 0.300 . 1 . . . . 26 ILE CD1 . 11417 1 239 . 1 1 26 26 ILE CG1 C 13 30.796 0.300 . 1 . . . . 26 ILE CG1 . 11417 1 240 . 1 1 26 26 ILE CG2 C 13 17.196 0.300 . 1 . . . . 26 ILE CG2 . 11417 1 241 . 1 1 26 26 ILE N N 15 122.053 0.300 . 1 . . . . 26 ILE N . 11417 1 242 . 1 1 27 27 LYS H H 1 8.046 0.030 . 1 . . . . 27 LYS H . 11417 1 243 . 1 1 27 27 LYS HA H 1 4.180 0.030 . 1 . . . . 27 LYS HA . 11417 1 244 . 1 1 27 27 LYS HB2 H 1 2.083 0.030 . 1 . . . . 27 LYS HB2 . 11417 1 245 . 1 1 27 27 LYS HB3 H 1 2.083 0.030 . 1 . . . . 27 LYS HB3 . 11417 1 246 . 1 1 27 27 LYS HD2 H 1 1.799 0.030 . 1 . . . . 27 LYS HD2 . 11417 1 247 . 1 1 27 27 LYS HD3 H 1 1.799 0.030 . 1 . . . . 27 LYS HD3 . 11417 1 248 . 1 1 27 27 LYS HE2 H 1 2.996 0.030 . 1 . . . . 27 LYS HE2 . 11417 1 249 . 1 1 27 27 LYS HE3 H 1 2.996 0.030 . 1 . . . . 27 LYS HE3 . 11417 1 250 . 1 1 27 27 LYS HG2 H 1 1.679 0.030 . 2 . . . . 27 LYS HG2 . 11417 1 251 . 1 1 27 27 LYS HG3 H 1 1.609 0.030 . 2 . . . . 27 LYS HG3 . 11417 1 252 . 1 1 27 27 LYS C C 13 178.597 0.300 . 1 . . . . 27 LYS C . 11417 1 253 . 1 1 27 27 LYS CA C 13 60.784 0.300 . 1 . . . . 27 LYS CA . 11417 1 254 . 1 1 27 27 LYS CB C 13 32.619 0.300 . 1 . . . . 27 LYS CB . 11417 1 255 . 1 1 27 27 LYS CD C 13 29.795 0.300 . 1 . . . . 27 LYS CD . 11417 1 256 . 1 1 27 27 LYS CE C 13 42.103 0.300 . 1 . . . . 27 LYS CE . 11417 1 257 . 1 1 27 27 LYS CG C 13 25.379 0.300 . 1 . . . . 27 LYS CG . 11417 1 258 . 1 1 27 27 LYS N N 15 120.366 0.300 . 1 . . . . 27 LYS N . 11417 1 259 . 1 1 28 28 LYS H H 1 8.321 0.030 . 1 . . . . 28 LYS H . 11417 1 260 . 1 1 28 28 LYS HA H 1 3.946 0.030 . 1 . . . . 28 LYS HA . 11417 1 261 . 1 1 28 28 LYS HB2 H 1 1.926 0.030 . 1 . . . . 28 LYS HB2 . 11417 1 262 . 1 1 28 28 LYS HB3 H 1 1.926 0.030 . 1 . . . . 28 LYS HB3 . 11417 1 263 . 1 1 28 28 LYS HD2 H 1 1.750 0.030 . 1 . . . . 28 LYS HD2 . 11417 1 264 . 1 1 28 28 LYS HD3 H 1 1.750 0.030 . 1 . . . . 28 LYS HD3 . 11417 1 265 . 1 1 28 28 LYS HE2 H 1 2.997 0.030 . 1 . . . . 28 LYS HE2 . 11417 1 266 . 1 1 28 28 LYS HE3 H 1 2.997 0.030 . 1 . . . . 28 LYS HE3 . 11417 1 267 . 1 1 28 28 LYS HG2 H 1 1.712 0.030 . 2 . . . . 28 LYS HG2 . 11417 1 268 . 1 1 28 28 LYS HG3 H 1 1.460 0.030 . 2 . . . . 28 LYS HG3 . 11417 1 269 . 1 1 28 28 LYS C C 13 179.274 0.300 . 1 . . . . 28 LYS C . 11417 1 270 . 1 1 28 28 LYS CA C 13 60.115 0.300 . 1 . . . . 28 LYS CA . 11417 1 271 . 1 1 28 28 LYS CB C 13 32.899 0.300 . 1 . . . . 28 LYS CB . 11417 1 272 . 1 1 28 28 LYS CD C 13 29.676 0.300 . 1 . . . . 28 LYS CD . 11417 1 273 . 1 1 28 28 LYS CE C 13 42.116 0.300 . 1 . . . . 28 LYS CE . 11417 1 274 . 1 1 28 28 LYS CG C 13 25.804 0.300 . 1 . . . . 28 LYS CG . 11417 1 275 . 1 1 28 28 LYS N N 15 118.546 0.300 . 1 . . . . 28 LYS N . 11417 1 276 . 1 1 29 29 ALA H H 1 7.910 0.030 . 1 . . . . 29 ALA H . 11417 1 277 . 1 1 29 29 ALA HA H 1 4.191 0.030 . 1 . . . . 29 ALA HA . 11417 1 278 . 1 1 29 29 ALA HB1 H 1 1.692 0.030 . 1 . . . . 29 ALA HB . 11417 1 279 . 1 1 29 29 ALA HB2 H 1 1.692 0.030 . 1 . . . . 29 ALA HB . 11417 1 280 . 1 1 29 29 ALA HB3 H 1 1.692 0.030 . 1 . . . . 29 ALA HB . 11417 1 281 . 1 1 29 29 ALA C C 13 180.048 0.300 . 1 . . . . 29 ALA C . 11417 1 282 . 1 1 29 29 ALA CA C 13 55.196 0.300 . 1 . . . . 29 ALA CA . 11417 1 283 . 1 1 29 29 ALA CB C 13 19.061 0.300 . 1 . . . . 29 ALA CB . 11417 1 284 . 1 1 29 29 ALA N N 15 122.473 0.300 . 1 . . . . 29 ALA N . 11417 1 285 . 1 1 30 30 TYR H H 1 8.394 0.030 . 1 . . . . 30 TYR H . 11417 1 286 . 1 1 30 30 TYR HA H 1 3.929 0.030 . 1 . . . . 30 TYR HA . 11417 1 287 . 1 1 30 30 TYR HB2 H 1 2.641 0.030 . 2 . . . . 30 TYR HB2 . 11417 1 288 . 1 1 30 30 TYR HB3 H 1 2.735 0.030 . 2 . . . . 30 TYR HB3 . 11417 1 289 . 1 1 30 30 TYR HD1 H 1 6.358 0.030 . 1 . . . . 30 TYR HD1 . 11417 1 290 . 1 1 30 30 TYR HD2 H 1 6.358 0.030 . 1 . . . . 30 TYR HD2 . 11417 1 291 . 1 1 30 30 TYR HE1 H 1 6.307 0.030 . 1 . . . . 30 TYR HE1 . 11417 1 292 . 1 1 30 30 TYR HE2 H 1 6.307 0.030 . 1 . . . . 30 TYR HE2 . 11417 1 293 . 1 1 30 30 TYR C C 13 175.941 0.300 . 1 . . . . 30 TYR C . 11417 1 294 . 1 1 30 30 TYR CA C 13 61.192 0.300 . 1 . . . . 30 TYR CA . 11417 1 295 . 1 1 30 30 TYR CB C 13 39.038 0.300 . 1 . . . . 30 TYR CB . 11417 1 296 . 1 1 30 30 TYR CD1 C 13 132.619 0.300 . 1 . . . . 30 TYR CD1 . 11417 1 297 . 1 1 30 30 TYR CD2 C 13 132.619 0.300 . 1 . . . . 30 TYR CD2 . 11417 1 298 . 1 1 30 30 TYR CE1 C 13 116.989 0.300 . 1 . . . . 30 TYR CE1 . 11417 1 299 . 1 1 30 30 TYR CE2 C 13 116.989 0.300 . 1 . . . . 30 TYR CE2 . 11417 1 300 . 1 1 30 30 TYR N N 15 117.534 0.300 . 1 . . . . 30 TYR N . 11417 1 301 . 1 1 31 31 ARG H H 1 8.280 0.030 . 1 . . . . 31 ARG H . 11417 1 302 . 1 1 31 31 ARG HA H 1 3.386 0.030 . 1 . . . . 31 ARG HA . 11417 1 303 . 1 1 31 31 ARG HB2 H 1 1.853 0.030 . 2 . . . . 31 ARG HB2 . 11417 1 304 . 1 1 31 31 ARG HB3 H 1 1.785 0.030 . 2 . . . . 31 ARG HB3 . 11417 1 305 . 1 1 31 31 ARG HD2 H 1 3.157 0.030 . 2 . . . . 31 ARG HD2 . 11417 1 306 . 1 1 31 31 ARG HG2 H 1 1.599 0.030 . 2 . . . . 31 ARG HG2 . 11417 1 307 . 1 1 31 31 ARG HG3 H 1 1.840 0.030 . 2 . . . . 31 ARG HG3 . 11417 1 308 . 1 1 31 31 ARG C C 13 179.110 0.300 . 1 . . . . 31 ARG C . 11417 1 309 . 1 1 31 31 ARG CA C 13 59.495 0.300 . 1 . . . . 31 ARG CA . 11417 1 310 . 1 1 31 31 ARG CB C 13 29.671 0.300 . 1 . . . . 31 ARG CB . 11417 1 311 . 1 1 31 31 ARG CD C 13 43.456 0.300 . 1 . . . . 31 ARG CD . 11417 1 312 . 1 1 31 31 ARG CG C 13 27.635 0.300 . 1 . . . . 31 ARG CG . 11417 1 313 . 1 1 31 31 ARG N N 15 117.729 0.300 . 1 . . . . 31 ARG N . 11417 1 314 . 1 1 32 32 LYS H H 1 7.455 0.030 . 1 . . . . 32 LYS H . 11417 1 315 . 1 1 32 32 LYS HA H 1 3.989 0.030 . 1 . . . . 32 LYS HA . 11417 1 316 . 1 1 32 32 LYS HB2 H 1 1.938 0.030 . 1 . . . . 32 LYS HB2 . 11417 1 317 . 1 1 32 32 LYS HB3 H 1 1.938 0.030 . 1 . . . . 32 LYS HB3 . 11417 1 318 . 1 1 32 32 LYS HD2 H 1 1.699 0.030 . 2 . . . . 32 LYS HD2 . 11417 1 319 . 1 1 32 32 LYS HD3 H 1 1.568 0.030 . 2 . . . . 32 LYS HD3 . 11417 1 320 . 1 1 32 32 LYS HE2 H 1 2.958 0.030 . 2 . . . . 32 LYS HE2 . 11417 1 321 . 1 1 32 32 LYS HG2 H 1 1.328 0.030 . 2 . . . . 32 LYS HG2 . 11417 1 322 . 1 1 32 32 LYS C C 13 179.666 0.300 . 1 . . . . 32 LYS C . 11417 1 323 . 1 1 32 32 LYS CA C 13 59.492 0.300 . 1 . . . . 32 LYS CA . 11417 1 324 . 1 1 32 32 LYS CB C 13 32.625 0.300 . 1 . . . . 32 LYS CB . 11417 1 325 . 1 1 32 32 LYS CD C 13 29.530 0.300 . 1 . . . . 32 LYS CD . 11417 1 326 . 1 1 32 32 LYS CE C 13 42.138 0.300 . 1 . . . . 32 LYS CE . 11417 1 327 . 1 1 32 32 LYS CG C 13 24.998 0.300 . 1 . . . . 32 LYS CG . 11417 1 328 . 1 1 32 32 LYS N N 15 117.133 0.300 . 1 . . . . 32 LYS N . 11417 1 329 . 1 1 33 33 LEU H H 1 7.993 0.030 . 1 . . . . 33 LEU H . 11417 1 330 . 1 1 33 33 LEU HA H 1 4.159 0.030 . 1 . . . . 33 LEU HA . 11417 1 331 . 1 1 33 33 LEU HB2 H 1 1.531 0.030 . 2 . . . . 33 LEU HB2 . 11417 1 332 . 1 1 33 33 LEU HB3 H 1 1.969 0.030 . 2 . . . . 33 LEU HB3 . 11417 1 333 . 1 1 33 33 LEU HD11 H 1 1.113 0.030 . 1 . . . . 33 LEU HD1 . 11417 1 334 . 1 1 33 33 LEU HD12 H 1 1.113 0.030 . 1 . . . . 33 LEU HD1 . 11417 1 335 . 1 1 33 33 LEU HD13 H 1 1.113 0.030 . 1 . . . . 33 LEU HD1 . 11417 1 336 . 1 1 33 33 LEU HD21 H 1 1.074 0.030 . 1 . . . . 33 LEU HD2 . 11417 1 337 . 1 1 33 33 LEU HD22 H 1 1.074 0.030 . 1 . . . . 33 LEU HD2 . 11417 1 338 . 1 1 33 33 LEU HD23 H 1 1.074 0.030 . 1 . . . . 33 LEU HD2 . 11417 1 339 . 1 1 33 33 LEU HG H 1 1.903 0.030 . 1 . . . . 33 LEU HG . 11417 1 340 . 1 1 33 33 LEU C C 13 178.416 0.300 . 1 . . . . 33 LEU C . 11417 1 341 . 1 1 33 33 LEU CA C 13 57.625 0.300 . 1 . . . . 33 LEU CA . 11417 1 342 . 1 1 33 33 LEU CB C 13 43.336 0.300 . 1 . . . . 33 LEU CB . 11417 1 343 . 1 1 33 33 LEU CD1 C 13 27.242 0.300 . 2 . . . . 33 LEU CD1 . 11417 1 344 . 1 1 33 33 LEU CD2 C 13 23.421 0.300 . 2 . . . . 33 LEU CD2 . 11417 1 345 . 1 1 33 33 LEU CG C 13 27.922 0.300 . 1 . . . . 33 LEU CG . 11417 1 346 . 1 1 33 33 LEU N N 15 121.493 0.300 . 1 . . . . 33 LEU N . 11417 1 347 . 1 1 34 34 ALA H H 1 9.127 0.030 . 1 . . . . 34 ALA H . 11417 1 348 . 1 1 34 34 ALA HA H 1 3.932 0.030 . 1 . . . . 34 ALA HA . 11417 1 349 . 1 1 34 34 ALA HB1 H 1 0.933 0.030 . 1 . . . . 34 ALA HB . 11417 1 350 . 1 1 34 34 ALA HB2 H 1 0.933 0.030 . 1 . . . . 34 ALA HB . 11417 1 351 . 1 1 34 34 ALA HB3 H 1 0.933 0.030 . 1 . . . . 34 ALA HB . 11417 1 352 . 1 1 34 34 ALA C C 13 179.784 0.300 . 1 . . . . 34 ALA C . 11417 1 353 . 1 1 34 34 ALA CA C 13 54.978 0.300 . 1 . . . . 34 ALA CA . 11417 1 354 . 1 1 34 34 ALA CB C 13 17.106 0.300 . 1 . . . . 34 ALA CB . 11417 1 355 . 1 1 34 34 ALA N N 15 123.150 0.300 . 1 . . . . 34 ALA N . 11417 1 356 . 1 1 35 35 LEU H H 1 7.122 0.030 . 1 . . . . 35 LEU H . 11417 1 357 . 1 1 35 35 LEU HA H 1 4.104 0.030 . 1 . . . . 35 LEU HA . 11417 1 358 . 1 1 35 35 LEU HB2 H 1 1.555 0.030 . 2 . . . . 35 LEU HB2 . 11417 1 359 . 1 1 35 35 LEU HB3 H 1 1.688 0.030 . 2 . . . . 35 LEU HB3 . 11417 1 360 . 1 1 35 35 LEU HD11 H 1 0.837 0.030 . 1 . . . . 35 LEU HD1 . 11417 1 361 . 1 1 35 35 LEU HD12 H 1 0.837 0.030 . 1 . . . . 35 LEU HD1 . 11417 1 362 . 1 1 35 35 LEU HD13 H 1 0.837 0.030 . 1 . . . . 35 LEU HD1 . 11417 1 363 . 1 1 35 35 LEU HD21 H 1 0.826 0.030 . 1 . . . . 35 LEU HD2 . 11417 1 364 . 1 1 35 35 LEU HD22 H 1 0.826 0.030 . 1 . . . . 35 LEU HD2 . 11417 1 365 . 1 1 35 35 LEU HD23 H 1 0.826 0.030 . 1 . . . . 35 LEU HD2 . 11417 1 366 . 1 1 35 35 LEU HG H 1 1.629 0.030 . 1 . . . . 35 LEU HG . 11417 1 367 . 1 1 35 35 LEU C C 13 178.690 0.300 . 1 . . . . 35 LEU C . 11417 1 368 . 1 1 35 35 LEU CA C 13 57.213 0.300 . 1 . . . . 35 LEU CA . 11417 1 369 . 1 1 35 35 LEU CB C 13 42.132 0.300 . 1 . . . . 35 LEU CB . 11417 1 370 . 1 1 35 35 LEU CD1 C 13 24.447 0.300 . 2 . . . . 35 LEU CD1 . 11417 1 371 . 1 1 35 35 LEU CD2 C 13 24.041 0.300 . 2 . . . . 35 LEU CD2 . 11417 1 372 . 1 1 35 35 LEU CG C 13 26.940 0.300 . 1 . . . . 35 LEU CG . 11417 1 373 . 1 1 35 35 LEU N N 15 115.989 0.300 . 1 . . . . 35 LEU N . 11417 1 374 . 1 1 36 36 ARG H H 1 7.322 0.030 . 1 . . . . 36 ARG H . 11417 1 375 . 1 1 36 36 ARG HA H 1 3.888 0.030 . 1 . . . . 36 ARG HA . 11417 1 376 . 1 1 36 36 ARG HB2 H 1 1.546 0.030 . 2 . . . . 36 ARG HB2 . 11417 1 377 . 1 1 36 36 ARG HB3 H 1 1.701 0.030 . 2 . . . . 36 ARG HB3 . 11417 1 378 . 1 1 36 36 ARG HD2 H 1 2.633 0.030 . 2 . . . . 36 ARG HD2 . 11417 1 379 . 1 1 36 36 ARG HD3 H 1 2.391 0.030 . 2 . . . . 36 ARG HD3 . 11417 1 380 . 1 1 36 36 ARG HG2 H 1 0.343 0.030 . 2 . . . . 36 ARG HG2 . 11417 1 381 . 1 1 36 36 ARG HG3 H 1 0.737 0.030 . 2 . . . . 36 ARG HG3 . 11417 1 382 . 1 1 36 36 ARG C C 13 178.894 0.300 . 1 . . . . 36 ARG C . 11417 1 383 . 1 1 36 36 ARG CA C 13 57.962 0.300 . 1 . . . . 36 ARG CA . 11417 1 384 . 1 1 36 36 ARG CB C 13 30.170 0.300 . 1 . . . . 36 ARG CB . 11417 1 385 . 1 1 36 36 ARG CD C 13 42.203 0.300 . 1 . . . . 36 ARG CD . 11417 1 386 . 1 1 36 36 ARG CG C 13 25.897 0.300 . 1 . . . . 36 ARG CG . 11417 1 387 . 1 1 36 36 ARG N N 15 117.547 0.300 . 1 . . . . 36 ARG N . 11417 1 388 . 1 1 37 37 TRP H H 1 8.187 0.030 . 1 . . . . 37 TRP H . 11417 1 389 . 1 1 37 37 TRP HA H 1 4.989 0.030 . 1 . . . . 37 TRP HA . 11417 1 390 . 1 1 37 37 TRP HB2 H 1 2.908 0.030 . 2 . . . . 37 TRP HB2 . 11417 1 391 . 1 1 37 37 TRP HB3 H 1 3.936 0.030 . 2 . . . . 37 TRP HB3 . 11417 1 392 . 1 1 37 37 TRP HD1 H 1 7.064 0.030 . 1 . . . . 37 TRP HD1 . 11417 1 393 . 1 1 37 37 TRP HE1 H 1 10.324 0.030 . 1 . . . . 37 TRP HE1 . 11417 1 394 . 1 1 37 37 TRP HE3 H 1 7.486 0.030 . 1 . . . . 37 TRP HE3 . 11417 1 395 . 1 1 37 37 TRP HH2 H 1 7.190 0.030 . 1 . . . . 37 TRP HH2 . 11417 1 396 . 1 1 37 37 TRP HZ2 H 1 7.433 0.030 . 1 . . . . 37 TRP HZ2 . 11417 1 397 . 1 1 37 37 TRP HZ3 H 1 6.941 0.030 . 1 . . . . 37 TRP HZ3 . 11417 1 398 . 1 1 37 37 TRP C C 13 173.274 0.300 . 1 . . . . 37 TRP C . 11417 1 399 . 1 1 37 37 TRP CA C 13 56.295 0.300 . 1 . . . . 37 TRP CA . 11417 1 400 . 1 1 37 37 TRP CB C 13 29.975 0.300 . 1 . . . . 37 TRP CB . 11417 1 401 . 1 1 37 37 TRP CD1 C 13 126.241 0.300 . 1 . . . . 37 TRP CD1 . 11417 1 402 . 1 1 37 37 TRP CE3 C 13 120.337 0.300 . 1 . . . . 37 TRP CE3 . 11417 1 403 . 1 1 37 37 TRP CH2 C 13 124.850 0.300 . 1 . . . . 37 TRP CH2 . 11417 1 404 . 1 1 37 37 TRP CZ2 C 13 114.771 0.300 . 1 . . . . 37 TRP CZ2 . 11417 1 405 . 1 1 37 37 TRP CZ3 C 13 121.389 0.300 . 1 . . . . 37 TRP CZ3 . 11417 1 406 . 1 1 37 37 TRP N N 15 115.408 0.300 . 1 . . . . 37 TRP N . 11417 1 407 . 1 1 37 37 TRP NE1 N 15 127.247 0.300 . 1 . . . . 37 TRP NE1 . 11417 1 408 . 1 1 38 38 HIS H H 1 7.207 0.030 . 1 . . . . 38 HIS H . 11417 1 409 . 1 1 38 38 HIS HA H 1 3.673 0.030 . 1 . . . . 38 HIS HA . 11417 1 410 . 1 1 38 38 HIS HB2 H 1 3.330 0.030 . 2 . . . . 38 HIS HB2 . 11417 1 411 . 1 1 38 38 HIS HB3 H 1 2.607 0.030 . 2 . . . . 38 HIS HB3 . 11417 1 412 . 1 1 38 38 HIS HD2 H 1 6.823 0.030 . 1 . . . . 38 HIS HD2 . 11417 1 413 . 1 1 38 38 HIS HE1 H 1 7.597 0.030 . 1 . . . . 38 HIS HE1 . 11417 1 414 . 1 1 38 38 HIS C C 13 177.385 0.300 . 1 . . . . 38 HIS C . 11417 1 415 . 1 1 38 38 HIS CA C 13 57.292 0.300 . 1 . . . . 38 HIS CA . 11417 1 416 . 1 1 38 38 HIS CB C 13 30.847 0.300 . 1 . . . . 38 HIS CB . 11417 1 417 . 1 1 38 38 HIS CD2 C 13 118.106 0.300 . 1 . . . . 38 HIS CD2 . 11417 1 418 . 1 1 38 38 HIS CE1 C 13 138.996 0.300 . 1 . . . . 38 HIS CE1 . 11417 1 419 . 1 1 38 38 HIS N N 15 120.889 0.300 . 1 . . . . 38 HIS N . 11417 1 420 . 1 1 39 39 PRO HA H 1 4.028 0.030 . 1 . . . . 39 PRO HA . 11417 1 421 . 1 1 39 39 PRO HB2 H 1 1.927 0.030 . 2 . . . . 39 PRO HB2 . 11417 1 422 . 1 1 39 39 PRO HB3 H 1 2.197 0.030 . 2 . . . . 39 PRO HB3 . 11417 1 423 . 1 1 39 39 PRO HD2 H 1 1.933 0.030 . 2 . . . . 39 PRO HD2 . 11417 1 424 . 1 1 39 39 PRO HD3 H 1 3.005 0.030 . 2 . . . . 39 PRO HD3 . 11417 1 425 . 1 1 39 39 PRO HG2 H 1 1.809 0.030 . 2 . . . . 39 PRO HG2 . 11417 1 426 . 1 1 39 39 PRO HG3 H 1 1.642 0.030 . 2 . . . . 39 PRO HG3 . 11417 1 427 . 1 1 39 39 PRO C C 13 179.057 0.300 . 1 . . . . 39 PRO C . 11417 1 428 . 1 1 39 39 PRO CA C 13 66.406 0.300 . 1 . . . . 39 PRO CA . 11417 1 429 . 1 1 39 39 PRO CB C 13 32.078 0.300 . 1 . . . . 39 PRO CB . 11417 1 430 . 1 1 39 39 PRO CD C 13 50.080 0.300 . 1 . . . . 39 PRO CD . 11417 1 431 . 1 1 39 39 PRO CG C 13 27.645 0.300 . 1 . . . . 39 PRO CG . 11417 1 432 . 1 1 40 40 ASP H H 1 10.823 0.030 . 1 . . . . 40 ASP H . 11417 1 433 . 1 1 40 40 ASP HA H 1 4.431 0.030 . 1 . . . . 40 ASP HA . 11417 1 434 . 1 1 40 40 ASP HB2 H 1 2.683 0.030 . 1 . . . . 40 ASP HB2 . 11417 1 435 . 1 1 40 40 ASP HB3 H 1 2.683 0.030 . 1 . . . . 40 ASP HB3 . 11417 1 436 . 1 1 40 40 ASP C C 13 178.196 0.300 . 1 . . . . 40 ASP C . 11417 1 437 . 1 1 40 40 ASP CA C 13 56.846 0.300 . 1 . . . . 40 ASP CA . 11417 1 438 . 1 1 40 40 ASP CB C 13 39.971 0.300 . 1 . . . . 40 ASP CB . 11417 1 439 . 1 1 40 40 ASP N N 15 120.518 0.300 . 1 . . . . 40 ASP N . 11417 1 440 . 1 1 41 41 LYS H H 1 7.852 0.030 . 1 . . . . 41 LYS H . 11417 1 441 . 1 1 41 41 LYS HA H 1 4.419 0.030 . 1 . . . . 41 LYS HA . 11417 1 442 . 1 1 41 41 LYS HB2 H 1 1.782 0.030 . 2 . . . . 41 LYS HB2 . 11417 1 443 . 1 1 41 41 LYS HB3 H 1 2.091 0.030 . 2 . . . . 41 LYS HB3 . 11417 1 444 . 1 1 41 41 LYS HD2 H 1 1.615 0.030 . 1 . . . . 41 LYS HD2 . 11417 1 445 . 1 1 41 41 LYS HD3 H 1 1.615 0.030 . 1 . . . . 41 LYS HD3 . 11417 1 446 . 1 1 41 41 LYS HE2 H 1 2.815 0.030 . 2 . . . . 41 LYS HE2 . 11417 1 447 . 1 1 41 41 LYS HE3 H 1 2.906 0.030 . 2 . . . . 41 LYS HE3 . 11417 1 448 . 1 1 41 41 LYS HG2 H 1 1.551 0.030 . 2 . . . . 41 LYS HG2 . 11417 1 449 . 1 1 41 41 LYS HG3 H 1 1.324 0.030 . 2 . . . . 41 LYS HG3 . 11417 1 450 . 1 1 41 41 LYS C C 13 175.670 0.300 . 1 . . . . 41 LYS C . 11417 1 451 . 1 1 41 41 LYS CA C 13 54.354 0.300 . 1 . . . . 41 LYS CA . 11417 1 452 . 1 1 41 41 LYS CB C 13 32.540 0.300 . 1 . . . . 41 LYS CB . 11417 1 453 . 1 1 41 41 LYS CD C 13 28.047 0.300 . 1 . . . . 41 LYS CD . 11417 1 454 . 1 1 41 41 LYS CE C 13 42.197 0.300 . 1 . . . . 41 LYS CE . 11417 1 455 . 1 1 41 41 LYS CG C 13 24.612 0.300 . 1 . . . . 41 LYS CG . 11417 1 456 . 1 1 41 41 LYS N N 15 116.400 0.300 . 1 . . . . 41 LYS N . 11417 1 457 . 1 1 42 42 ASN H H 1 7.548 0.030 . 1 . . . . 42 ASN H . 11417 1 458 . 1 1 42 42 ASN HA H 1 5.246 0.030 . 1 . . . . 42 ASN HA . 11417 1 459 . 1 1 42 42 ASN HB2 H 1 2.751 0.030 . 2 . . . . 42 ASN HB2 . 11417 1 460 . 1 1 42 42 ASN HB3 H 1 2.131 0.030 . 2 . . . . 42 ASN HB3 . 11417 1 461 . 1 1 42 42 ASN HD21 H 1 7.268 0.030 . 2 . . . . 42 ASN HD21 . 11417 1 462 . 1 1 42 42 ASN HD22 H 1 7.481 0.030 . 2 . . . . 42 ASN HD22 . 11417 1 463 . 1 1 42 42 ASN C C 13 172.323 0.300 . 1 . . . . 42 ASN C . 11417 1 464 . 1 1 42 42 ASN CA C 13 52.472 0.300 . 1 . . . . 42 ASN CA . 11417 1 465 . 1 1 42 42 ASN CB C 13 42.507 0.300 . 1 . . . . 42 ASN CB . 11417 1 466 . 1 1 42 42 ASN N N 15 118.789 0.300 . 1 . . . . 42 ASN N . 11417 1 467 . 1 1 42 42 ASN ND2 N 15 116.223 0.300 . 1 . . . . 42 ASN ND2 . 11417 1 468 . 1 1 43 43 PRO HA H 1 4.329 0.030 . 1 . . . . 43 PRO HA . 11417 1 469 . 1 1 43 43 PRO HB2 H 1 2.010 0.030 . 2 . . . . 43 PRO HB2 . 11417 1 470 . 1 1 43 43 PRO HB3 H 1 2.265 0.030 . 2 . . . . 43 PRO HB3 . 11417 1 471 . 1 1 43 43 PRO HD2 H 1 3.275 0.030 . 2 . . . . 43 PRO HD2 . 11417 1 472 . 1 1 43 43 PRO HD3 H 1 3.636 0.030 . 2 . . . . 43 PRO HD3 . 11417 1 473 . 1 1 43 43 PRO HG2 H 1 1.902 0.030 . 2 . . . . 43 PRO HG2 . 11417 1 474 . 1 1 43 43 PRO HG3 H 1 2.011 0.030 . 2 . . . . 43 PRO HG3 . 11417 1 475 . 1 1 43 43 PRO C C 13 177.793 0.300 . 1 . . . . 43 PRO C . 11417 1 476 . 1 1 43 43 PRO CA C 13 65.311 0.300 . 1 . . . . 43 PRO CA . 11417 1 477 . 1 1 43 43 PRO CB C 13 31.510 0.300 . 1 . . . . 43 PRO CB . 11417 1 478 . 1 1 43 43 PRO CD C 13 50.686 0.300 . 1 . . . . 43 PRO CD . 11417 1 479 . 1 1 43 43 PRO CG C 13 27.517 0.300 . 1 . . . . 43 PRO CG . 11417 1 480 . 1 1 44 44 ASP H H 1 8.539 0.030 . 1 . . . . 44 ASP H . 11417 1 481 . 1 1 44 44 ASP HA H 1 4.790 0.030 . 1 . . . . 44 ASP HA . 11417 1 482 . 1 1 44 44 ASP HB2 H 1 2.646 0.030 . 2 . . . . 44 ASP HB2 . 11417 1 483 . 1 1 44 44 ASP HB3 H 1 2.796 0.030 . 2 . . . . 44 ASP HB3 . 11417 1 484 . 1 1 44 44 ASP C C 13 175.729 0.300 . 1 . . . . 44 ASP C . 11417 1 485 . 1 1 44 44 ASP CA C 13 54.429 0.300 . 1 . . . . 44 ASP CA . 11417 1 486 . 1 1 44 44 ASP CB C 13 40.907 0.300 . 1 . . . . 44 ASP CB . 11417 1 487 . 1 1 44 44 ASP N N 15 116.706 0.300 . 1 . . . . 44 ASP N . 11417 1 488 . 1 1 45 45 ASN H H 1 7.863 0.030 . 1 . . . . 45 ASN H . 11417 1 489 . 1 1 45 45 ASN HA H 1 5.058 0.030 . 1 . . . . 45 ASN HA . 11417 1 490 . 1 1 45 45 ASN HB2 H 1 2.630 0.030 . 2 . . . . 45 ASN HB2 . 11417 1 491 . 1 1 45 45 ASN HB3 H 1 2.876 0.030 . 2 . . . . 45 ASN HB3 . 11417 1 492 . 1 1 45 45 ASN HD21 H 1 7.352 0.030 . 2 . . . . 45 ASN HD21 . 11417 1 493 . 1 1 45 45 ASN HD22 H 1 7.899 0.030 . 2 . . . . 45 ASN HD22 . 11417 1 494 . 1 1 45 45 ASN C C 13 175.246 0.300 . 1 . . . . 45 ASN C . 11417 1 495 . 1 1 45 45 ASN CA C 13 52.395 0.300 . 1 . . . . 45 ASN CA . 11417 1 496 . 1 1 45 45 ASN CB C 13 38.738 0.300 . 1 . . . . 45 ASN CB . 11417 1 497 . 1 1 45 45 ASN N N 15 120.494 0.300 . 1 . . . . 45 ASN N . 11417 1 498 . 1 1 45 45 ASN ND2 N 15 112.324 0.300 . 1 . . . . 45 ASN ND2 . 11417 1 499 . 1 1 46 46 LYS H H 1 8.249 0.030 . 1 . . . . 46 LYS H . 11417 1 500 . 1 1 46 46 LYS HA H 1 3.945 0.030 . 1 . . . . 46 LYS HA . 11417 1 501 . 1 1 46 46 LYS HB2 H 1 1.888 0.030 . 2 . . . . 46 LYS HB2 . 11417 1 502 . 1 1 46 46 LYS HB3 H 1 1.817 0.030 . 2 . . . . 46 LYS HB3 . 11417 1 503 . 1 1 46 46 LYS HD2 H 1 1.712 0.030 . 2 . . . . 46 LYS HD2 . 11417 1 504 . 1 1 46 46 LYS HE2 H 1 2.975 0.030 . 2 . . . . 46 LYS HE2 . 11417 1 505 . 1 1 46 46 LYS HG2 H 1 1.464 0.030 . 2 . . . . 46 LYS HG2 . 11417 1 506 . 1 1 46 46 LYS HG3 H 1 1.548 0.030 . 2 . . . . 46 LYS HG3 . 11417 1 507 . 1 1 46 46 LYS C C 13 178.519 0.300 . 1 . . . . 46 LYS C . 11417 1 508 . 1 1 46 46 LYS CA C 13 61.045 0.300 . 1 . . . . 46 LYS CA . 11417 1 509 . 1 1 46 46 LYS CB C 13 33.258 0.300 . 1 . . . . 46 LYS CB . 11417 1 510 . 1 1 46 46 LYS CD C 13 29.613 0.300 . 1 . . . . 46 LYS CD . 11417 1 511 . 1 1 46 46 LYS CE C 13 42.023 0.300 . 1 . . . . 46 LYS CE . 11417 1 512 . 1 1 46 46 LYS CG C 13 25.229 0.300 . 1 . . . . 46 LYS CG . 11417 1 513 . 1 1 46 46 LYS N N 15 121.786 0.300 . 1 . . . . 46 LYS N . 11417 1 514 . 1 1 47 47 GLU H H 1 8.622 0.030 . 1 . . . . 47 GLU H . 11417 1 515 . 1 1 47 47 GLU HA H 1 4.091 0.030 . 1 . . . . 47 GLU HA . 11417 1 516 . 1 1 47 47 GLU HB2 H 1 2.104 0.030 . 2 . . . . 47 GLU HB2 . 11417 1 517 . 1 1 47 47 GLU HB3 H 1 1.999 0.030 . 2 . . . . 47 GLU HB3 . 11417 1 518 . 1 1 47 47 GLU HG2 H 1 2.318 0.030 . 1 . . . . 47 GLU HG2 . 11417 1 519 . 1 1 47 47 GLU HG3 H 1 2.318 0.030 . 1 . . . . 47 GLU HG3 . 11417 1 520 . 1 1 47 47 GLU C C 13 179.548 0.300 . 1 . . . . 47 GLU C . 11417 1 521 . 1 1 47 47 GLU CA C 13 60.180 0.300 . 1 . . . . 47 GLU CA . 11417 1 522 . 1 1 47 47 GLU CB C 13 29.025 0.300 . 1 . . . . 47 GLU CB . 11417 1 523 . 1 1 47 47 GLU CG C 13 36.947 0.300 . 1 . . . . 47 GLU CG . 11417 1 524 . 1 1 47 47 GLU N N 15 119.064 0.300 . 1 . . . . 47 GLU N . 11417 1 525 . 1 1 48 48 GLU H H 1 8.291 0.030 . 1 . . . . 48 GLU H . 11417 1 526 . 1 1 48 48 GLU HA H 1 3.989 0.030 . 1 . . . . 48 GLU HA . 11417 1 527 . 1 1 48 48 GLU HB2 H 1 2.026 0.030 . 2 . . . . 48 GLU HB2 . 11417 1 528 . 1 1 48 48 GLU HB3 H 1 1.984 0.030 . 2 . . . . 48 GLU HB3 . 11417 1 529 . 1 1 48 48 GLU HG2 H 1 2.177 0.030 . 2 . . . . 48 GLU HG2 . 11417 1 530 . 1 1 48 48 GLU HG3 H 1 2.115 0.030 . 2 . . . . 48 GLU HG3 . 11417 1 531 . 1 1 48 48 GLU C C 13 178.708 0.300 . 1 . . . . 48 GLU C . 11417 1 532 . 1 1 48 48 GLU CA C 13 58.895 0.300 . 1 . . . . 48 GLU CA . 11417 1 533 . 1 1 48 48 GLU CB C 13 29.518 0.300 . 1 . . . . 48 GLU CB . 11417 1 534 . 1 1 48 48 GLU CG C 13 36.261 0.300 . 1 . . . . 48 GLU CG . 11417 1 535 . 1 1 48 48 GLU N N 15 120.233 0.300 . 1 . . . . 48 GLU N . 11417 1 536 . 1 1 49 49 ALA H H 1 8.118 0.030 . 1 . . . . 49 ALA H . 11417 1 537 . 1 1 49 49 ALA HA H 1 4.283 0.030 . 1 . . . . 49 ALA HA . 11417 1 538 . 1 1 49 49 ALA HB1 H 1 1.744 0.030 . 1 . . . . 49 ALA HB . 11417 1 539 . 1 1 49 49 ALA HB2 H 1 1.744 0.030 . 1 . . . . 49 ALA HB . 11417 1 540 . 1 1 49 49 ALA HB3 H 1 1.744 0.030 . 1 . . . . 49 ALA HB . 11417 1 541 . 1 1 49 49 ALA C C 13 178.554 0.300 . 1 . . . . 49 ALA C . 11417 1 542 . 1 1 49 49 ALA CA C 13 55.789 0.300 . 1 . . . . 49 ALA CA . 11417 1 543 . 1 1 49 49 ALA CB C 13 18.140 0.300 . 1 . . . . 49 ALA CB . 11417 1 544 . 1 1 49 49 ALA N N 15 120.737 0.300 . 1 . . . . 49 ALA N . 11417 1 545 . 1 1 50 50 GLU H H 1 8.656 0.030 . 1 . . . . 50 GLU H . 11417 1 546 . 1 1 50 50 GLU HA H 1 3.975 0.030 . 1 . . . . 50 GLU HA . 11417 1 547 . 1 1 50 50 GLU HB2 H 1 2.091 0.030 . 2 . . . . 50 GLU HB2 . 11417 1 548 . 1 1 50 50 GLU HB3 H 1 2.220 0.030 . 2 . . . . 50 GLU HB3 . 11417 1 549 . 1 1 50 50 GLU HG2 H 1 2.249 0.030 . 2 . . . . 50 GLU HG2 . 11417 1 550 . 1 1 50 50 GLU HG3 H 1 2.455 0.030 . 2 . . . . 50 GLU HG3 . 11417 1 551 . 1 1 50 50 GLU C C 13 179.384 0.300 . 1 . . . . 50 GLU C . 11417 1 552 . 1 1 50 50 GLU CA C 13 60.142 0.300 . 1 . . . . 50 GLU CA . 11417 1 553 . 1 1 50 50 GLU CB C 13 29.662 0.300 . 1 . . . . 50 GLU CB . 11417 1 554 . 1 1 50 50 GLU CG C 13 36.780 0.300 . 1 . . . . 50 GLU CG . 11417 1 555 . 1 1 50 50 GLU N N 15 117.114 0.300 . 1 . . . . 50 GLU N . 11417 1 556 . 1 1 51 51 LYS H H 1 7.471 0.030 . 1 . . . . 51 LYS H . 11417 1 557 . 1 1 51 51 LYS HA H 1 3.974 0.030 . 1 . . . . 51 LYS HA . 11417 1 558 . 1 1 51 51 LYS HB2 H 1 1.854 0.030 . 2 . . . . 51 LYS HB2 . 11417 1 559 . 1 1 51 51 LYS HB3 H 1 1.920 0.030 . 2 . . . . 51 LYS HB3 . 11417 1 560 . 1 1 51 51 LYS HD2 H 1 1.651 0.030 . 1 . . . . 51 LYS HD2 . 11417 1 561 . 1 1 51 51 LYS HD3 H 1 1.651 0.030 . 1 . . . . 51 LYS HD3 . 11417 1 562 . 1 1 51 51 LYS HE2 H 1 2.912 0.030 . 1 . . . . 51 LYS HE2 . 11417 1 563 . 1 1 51 51 LYS HE3 H 1 2.912 0.030 . 1 . . . . 51 LYS HE3 . 11417 1 564 . 1 1 51 51 LYS HG2 H 1 1.384 0.030 . 2 . . . . 51 LYS HG2 . 11417 1 565 . 1 1 51 51 LYS HG3 H 1 1.642 0.030 . 2 . . . . 51 LYS HG3 . 11417 1 566 . 1 1 51 51 LYS C C 13 179.819 0.300 . 1 . . . . 51 LYS C . 11417 1 567 . 1 1 51 51 LYS CA C 13 59.727 0.300 . 1 . . . . 51 LYS CA . 11417 1 568 . 1 1 51 51 LYS CB C 13 32.607 0.300 . 1 . . . . 51 LYS CB . 11417 1 569 . 1 1 51 51 LYS CD C 13 29.448 0.300 . 1 . . . . 51 LYS CD . 11417 1 570 . 1 1 51 51 LYS CE C 13 42.101 0.300 . 1 . . . . 51 LYS CE . 11417 1 571 . 1 1 51 51 LYS CG C 13 25.083 0.300 . 1 . . . . 51 LYS CG . 11417 1 572 . 1 1 51 51 LYS N N 15 118.614 0.300 . 1 . . . . 51 LYS N . 11417 1 573 . 1 1 52 52 LYS H H 1 8.032 0.030 . 1 . . . . 52 LYS H . 11417 1 574 . 1 1 52 52 LYS HA H 1 3.730 0.030 . 1 . . . . 52 LYS HA . 11417 1 575 . 1 1 52 52 LYS HB2 H 1 1.154 0.030 . 2 . . . . 52 LYS HB2 . 11417 1 576 . 1 1 52 52 LYS HB3 H 1 0.568 0.030 . 2 . . . . 52 LYS HB3 . 11417 1 577 . 1 1 52 52 LYS HD2 H 1 0.744 0.030 . 2 . . . . 52 LYS HD2 . 11417 1 578 . 1 1 52 52 LYS HD3 H 1 0.553 0.030 . 2 . . . . 52 LYS HD3 . 11417 1 579 . 1 1 52 52 LYS HE2 H 1 2.478 0.030 . 2 . . . . 52 LYS HE2 . 11417 1 580 . 1 1 52 52 LYS HG2 H 1 0.591 0.030 . 2 . . . . 52 LYS HG2 . 11417 1 581 . 1 1 52 52 LYS HG3 H 1 0.356 0.030 . 2 . . . . 52 LYS HG3 . 11417 1 582 . 1 1 52 52 LYS C C 13 178.693 0.300 . 1 . . . . 52 LYS C . 11417 1 583 . 1 1 52 52 LYS CA C 13 58.846 0.300 . 1 . . . . 52 LYS CA . 11417 1 584 . 1 1 52 52 LYS CB C 13 31.544 0.300 . 1 . . . . 52 LYS CB . 11417 1 585 . 1 1 52 52 LYS CD C 13 27.860 0.300 . 1 . . . . 52 LYS CD . 11417 1 586 . 1 1 52 52 LYS CE C 13 41.965 0.300 . 1 . . . . 52 LYS CE . 11417 1 587 . 1 1 52 52 LYS CG C 13 24.419 0.300 . 1 . . . . 52 LYS CG . 11417 1 588 . 1 1 52 52 LYS N N 15 120.274 0.300 . 1 . . . . 52 LYS N . 11417 1 589 . 1 1 53 53 PHE H H 1 9.445 0.030 . 1 . . . . 53 PHE H . 11417 1 590 . 1 1 53 53 PHE HA H 1 3.945 0.030 . 1 . . . . 53 PHE HA . 11417 1 591 . 1 1 53 53 PHE HB2 H 1 3.510 0.030 . 2 . . . . 53 PHE HB2 . 11417 1 592 . 1 1 53 53 PHE HB3 H 1 3.024 0.030 . 2 . . . . 53 PHE HB3 . 11417 1 593 . 1 1 53 53 PHE HD1 H 1 7.097 0.030 . 1 . . . . 53 PHE HD1 . 11417 1 594 . 1 1 53 53 PHE HD2 H 1 7.097 0.030 . 1 . . . . 53 PHE HD2 . 11417 1 595 . 1 1 53 53 PHE HE1 H 1 7.340 0.030 . 1 . . . . 53 PHE HE1 . 11417 1 596 . 1 1 53 53 PHE HE2 H 1 7.340 0.030 . 1 . . . . 53 PHE HE2 . 11417 1 597 . 1 1 53 53 PHE HZ H 1 7.354 0.030 . 1 . . . . 53 PHE HZ . 11417 1 598 . 1 1 53 53 PHE C C 13 178.607 0.300 . 1 . . . . 53 PHE C . 11417 1 599 . 1 1 53 53 PHE CA C 13 61.915 0.300 . 1 . . . . 53 PHE CA . 11417 1 600 . 1 1 53 53 PHE CB C 13 39.275 0.300 . 1 . . . . 53 PHE CB . 11417 1 601 . 1 1 53 53 PHE CD1 C 13 131.264 0.300 . 1 . . . . 53 PHE CD1 . 11417 1 602 . 1 1 53 53 PHE CD2 C 13 131.264 0.300 . 1 . . . . 53 PHE CD2 . 11417 1 603 . 1 1 53 53 PHE CE1 C 13 131.484 0.300 . 1 . . . . 53 PHE CE1 . 11417 1 604 . 1 1 53 53 PHE CE2 C 13 131.484 0.300 . 1 . . . . 53 PHE CE2 . 11417 1 605 . 1 1 53 53 PHE CZ C 13 130.167 0.300 . 1 . . . . 53 PHE CZ . 11417 1 606 . 1 1 53 53 PHE N N 15 120.224 0.300 . 1 . . . . 53 PHE N . 11417 1 607 . 1 1 54 54 LYS H H 1 8.187 0.030 . 1 . . . . 54 LYS H . 11417 1 608 . 1 1 54 54 LYS HA H 1 3.968 0.030 . 1 . . . . 54 LYS HA . 11417 1 609 . 1 1 54 54 LYS HB2 H 1 1.988 0.030 . 2 . . . . 54 LYS HB2 . 11417 1 610 . 1 1 54 54 LYS HB3 H 1 1.924 0.030 . 2 . . . . 54 LYS HB3 . 11417 1 611 . 1 1 54 54 LYS HD2 H 1 1.702 0.030 . 2 . . . . 54 LYS HD2 . 11417 1 612 . 1 1 54 54 LYS HE2 H 1 3.001 0.030 . 2 . . . . 54 LYS HE2 . 11417 1 613 . 1 1 54 54 LYS HG2 H 1 1.466 0.030 . 2 . . . . 54 LYS HG2 . 11417 1 614 . 1 1 54 54 LYS C C 13 178.721 0.300 . 1 . . . . 54 LYS C . 11417 1 615 . 1 1 54 54 LYS CA C 13 59.935 0.300 . 1 . . . . 54 LYS CA . 11417 1 616 . 1 1 54 54 LYS CB C 13 32.437 0.300 . 1 . . . . 54 LYS CB . 11417 1 617 . 1 1 54 54 LYS CD C 13 29.613 0.300 . 1 . . . . 54 LYS CD . 11417 1 618 . 1 1 54 54 LYS CE C 13 42.220 0.300 . 1 . . . . 54 LYS CE . 11417 1 619 . 1 1 54 54 LYS CG C 13 25.410 0.300 . 1 . . . . 54 LYS CG . 11417 1 620 . 1 1 54 54 LYS N N 15 120.696 0.300 . 1 . . . . 54 LYS N . 11417 1 621 . 1 1 55 55 LEU H H 1 7.387 0.030 . 1 . . . . 55 LEU H . 11417 1 622 . 1 1 55 55 LEU HA H 1 4.213 0.030 . 1 . . . . 55 LEU HA . 11417 1 623 . 1 1 55 55 LEU HB2 H 1 1.732 0.030 . 2 . . . . 55 LEU HB2 . 11417 1 624 . 1 1 55 55 LEU HB3 H 1 1.701 0.030 . 2 . . . . 55 LEU HB3 . 11417 1 625 . 1 1 55 55 LEU HD11 H 1 0.953 0.030 . 1 . . . . 55 LEU HD1 . 11417 1 626 . 1 1 55 55 LEU HD12 H 1 0.953 0.030 . 1 . . . . 55 LEU HD1 . 11417 1 627 . 1 1 55 55 LEU HD13 H 1 0.953 0.030 . 1 . . . . 55 LEU HD1 . 11417 1 628 . 1 1 55 55 LEU HD21 H 1 0.901 0.030 . 1 . . . . 55 LEU HD2 . 11417 1 629 . 1 1 55 55 LEU HD22 H 1 0.901 0.030 . 1 . . . . 55 LEU HD2 . 11417 1 630 . 1 1 55 55 LEU HD23 H 1 0.901 0.030 . 1 . . . . 55 LEU HD2 . 11417 1 631 . 1 1 55 55 LEU HG H 1 1.702 0.030 . 1 . . . . 55 LEU HG . 11417 1 632 . 1 1 55 55 LEU C C 13 178.969 0.300 . 1 . . . . 55 LEU C . 11417 1 633 . 1 1 55 55 LEU CA C 13 57.938 0.300 . 1 . . . . 55 LEU CA . 11417 1 634 . 1 1 55 55 LEU CB C 13 41.864 0.300 . 1 . . . . 55 LEU CB . 11417 1 635 . 1 1 55 55 LEU CD1 C 13 23.751 0.300 . 2 . . . . 55 LEU CD1 . 11417 1 636 . 1 1 55 55 LEU CD2 C 13 24.900 0.300 . 2 . . . . 55 LEU CD2 . 11417 1 637 . 1 1 55 55 LEU CG C 13 27.141 0.300 . 1 . . . . 55 LEU CG . 11417 1 638 . 1 1 55 55 LEU N N 15 120.869 0.300 . 1 . . . . 55 LEU N . 11417 1 639 . 1 1 56 56 VAL H H 1 8.252 0.030 . 1 . . . . 56 VAL H . 11417 1 640 . 1 1 56 56 VAL HA H 1 3.479 0.030 . 1 . . . . 56 VAL HA . 11417 1 641 . 1 1 56 56 VAL HB H 1 2.113 0.030 . 1 . . . . 56 VAL HB . 11417 1 642 . 1 1 56 56 VAL HG11 H 1 0.950 0.030 . 1 . . . . 56 VAL HG1 . 11417 1 643 . 1 1 56 56 VAL HG12 H 1 0.950 0.030 . 1 . . . . 56 VAL HG1 . 11417 1 644 . 1 1 56 56 VAL HG13 H 1 0.950 0.030 . 1 . . . . 56 VAL HG1 . 11417 1 645 . 1 1 56 56 VAL HG21 H 1 1.021 0.030 . 1 . . . . 56 VAL HG2 . 11417 1 646 . 1 1 56 56 VAL HG22 H 1 1.021 0.030 . 1 . . . . 56 VAL HG2 . 11417 1 647 . 1 1 56 56 VAL HG23 H 1 1.021 0.030 . 1 . . . . 56 VAL HG2 . 11417 1 648 . 1 1 56 56 VAL C C 13 177.576 0.300 . 1 . . . . 56 VAL C . 11417 1 649 . 1 1 56 56 VAL CA C 13 66.265 0.300 . 1 . . . . 56 VAL CA . 11417 1 650 . 1 1 56 56 VAL CB C 13 31.913 0.300 . 1 . . . . 56 VAL CB . 11417 1 651 . 1 1 56 56 VAL CG1 C 13 21.950 0.300 . 2 . . . . 56 VAL CG1 . 11417 1 652 . 1 1 56 56 VAL CG2 C 13 23.308 0.300 . 2 . . . . 56 VAL CG2 . 11417 1 653 . 1 1 56 56 VAL N N 15 118.732 0.300 . 1 . . . . 56 VAL N . 11417 1 654 . 1 1 57 57 SER H H 1 7.993 0.030 . 1 . . . . 57 SER H . 11417 1 655 . 1 1 57 57 SER HA H 1 4.040 0.030 . 1 . . . . 57 SER HA . 11417 1 656 . 1 1 57 57 SER HB2 H 1 3.885 0.030 . 2 . . . . 57 SER HB2 . 11417 1 657 . 1 1 57 57 SER HB3 H 1 3.732 0.030 . 2 . . . . 57 SER HB3 . 11417 1 658 . 1 1 57 57 SER C C 13 175.623 0.300 . 1 . . . . 57 SER C . 11417 1 659 . 1 1 57 57 SER CA C 13 62.603 0.300 . 1 . . . . 57 SER CA . 11417 1 660 . 1 1 57 57 SER CB C 13 62.567 0.300 . 1 . . . . 57 SER CB . 11417 1 661 . 1 1 57 57 SER N N 15 115.114 0.300 . 1 . . . . 57 SER N . 11417 1 662 . 1 1 58 58 GLU H H 1 8.089 0.030 . 1 . . . . 58 GLU H . 11417 1 663 . 1 1 58 58 GLU HA H 1 3.784 0.030 . 1 . . . . 58 GLU HA . 11417 1 664 . 1 1 58 58 GLU HB2 H 1 1.957 0.030 . 2 . . . . 58 GLU HB2 . 11417 1 665 . 1 1 58 58 GLU HB3 H 1 2.154 0.030 . 2 . . . . 58 GLU HB3 . 11417 1 666 . 1 1 58 58 GLU HG2 H 1 2.306 0.030 . 2 . . . . 58 GLU HG2 . 11417 1 667 . 1 1 58 58 GLU HG3 H 1 1.960 0.030 . 2 . . . . 58 GLU HG3 . 11417 1 668 . 1 1 58 58 GLU C C 13 177.592 0.300 . 1 . . . . 58 GLU C . 11417 1 669 . 1 1 58 58 GLU CA C 13 59.206 0.300 . 1 . . . . 58 GLU CA . 11417 1 670 . 1 1 58 58 GLU CB C 13 29.691 0.300 . 1 . . . . 58 GLU CB . 11417 1 671 . 1 1 58 58 GLU CG C 13 35.958 0.300 . 1 . . . . 58 GLU CG . 11417 1 672 . 1 1 58 58 GLU N N 15 124.255 0.300 . 1 . . . . 58 GLU N . 11417 1 673 . 1 1 59 59 ALA H H 1 7.923 0.030 . 1 . . . . 59 ALA H . 11417 1 674 . 1 1 59 59 ALA HA H 1 2.559 0.030 . 1 . . . . 59 ALA HA . 11417 1 675 . 1 1 59 59 ALA HB1 H 1 1.282 0.030 . 1 . . . . 59 ALA HB . 11417 1 676 . 1 1 59 59 ALA HB2 H 1 1.282 0.030 . 1 . . . . 59 ALA HB . 11417 1 677 . 1 1 59 59 ALA HB3 H 1 1.282 0.030 . 1 . . . . 59 ALA HB . 11417 1 678 . 1 1 59 59 ALA C C 13 178.794 0.300 . 1 . . . . 59 ALA C . 11417 1 679 . 1 1 59 59 ALA CA C 13 53.926 0.300 . 1 . . . . 59 ALA CA . 11417 1 680 . 1 1 59 59 ALA CB C 13 18.662 0.300 . 1 . . . . 59 ALA CB . 11417 1 681 . 1 1 59 59 ALA N N 15 119.558 0.300 . 1 . . . . 59 ALA N . 11417 1 682 . 1 1 60 60 TYR H H 1 8.094 0.030 . 1 . . . . 60 TYR H . 11417 1 683 . 1 1 60 60 TYR HA H 1 3.631 0.030 . 1 . . . . 60 TYR HA . 11417 1 684 . 1 1 60 60 TYR HB2 H 1 2.393 0.030 . 2 . . . . 60 TYR HB2 . 11417 1 685 . 1 1 60 60 TYR HB3 H 1 2.632 0.030 . 2 . . . . 60 TYR HB3 . 11417 1 686 . 1 1 60 60 TYR HD1 H 1 6.348 0.030 . 1 . . . . 60 TYR HD1 . 11417 1 687 . 1 1 60 60 TYR HD2 H 1 6.348 0.030 . 1 . . . . 60 TYR HD2 . 11417 1 688 . 1 1 60 60 TYR HE1 H 1 6.401 0.030 . 1 . . . . 60 TYR HE1 . 11417 1 689 . 1 1 60 60 TYR HE2 H 1 6.401 0.030 . 1 . . . . 60 TYR HE2 . 11417 1 690 . 1 1 60 60 TYR C C 13 177.521 0.300 . 1 . . . . 60 TYR C . 11417 1 691 . 1 1 60 60 TYR CA C 13 61.238 0.300 . 1 . . . . 60 TYR CA . 11417 1 692 . 1 1 60 60 TYR CB C 13 39.482 0.300 . 1 . . . . 60 TYR CB . 11417 1 693 . 1 1 60 60 TYR CD1 C 13 131.923 0.300 . 1 . . . . 60 TYR CD1 . 11417 1 694 . 1 1 60 60 TYR CD2 C 13 131.923 0.300 . 1 . . . . 60 TYR CD2 . 11417 1 695 . 1 1 60 60 TYR CE1 C 13 117.969 0.300 . 1 . . . . 60 TYR CE1 . 11417 1 696 . 1 1 60 60 TYR CE2 C 13 117.969 0.300 . 1 . . . . 60 TYR CE2 . 11417 1 697 . 1 1 60 60 TYR N N 15 116.297 0.300 . 1 . . . . 60 TYR N . 11417 1 698 . 1 1 61 61 GLU H H 1 8.160 0.030 . 1 . . . . 61 GLU H . 11417 1 699 . 1 1 61 61 GLU HA H 1 3.331 0.030 . 1 . . . . 61 GLU HA . 11417 1 700 . 1 1 61 61 GLU HB2 H 1 1.916 0.030 . 1 . . . . 61 GLU HB2 . 11417 1 701 . 1 1 61 61 GLU HB3 H 1 1.916 0.030 . 1 . . . . 61 GLU HB3 . 11417 1 702 . 1 1 61 61 GLU HG2 H 1 2.086 0.030 . 2 . . . . 61 GLU HG2 . 11417 1 703 . 1 1 61 61 GLU HG3 H 1 2.237 0.030 . 2 . . . . 61 GLU HG3 . 11417 1 704 . 1 1 61 61 GLU C C 13 177.476 0.300 . 1 . . . . 61 GLU C . 11417 1 705 . 1 1 61 61 GLU CA C 13 59.491 0.300 . 1 . . . . 61 GLU CA . 11417 1 706 . 1 1 61 61 GLU CB C 13 28.949 0.300 . 1 . . . . 61 GLU CB . 11417 1 707 . 1 1 61 61 GLU CG C 13 36.205 0.300 . 1 . . . . 61 GLU CG . 11417 1 708 . 1 1 61 61 GLU N N 15 121.702 0.300 . 1 . . . . 61 GLU N . 11417 1 709 . 1 1 62 62 VAL H H 1 6.715 0.030 . 1 . . . . 62 VAL H . 11417 1 710 . 1 1 62 62 VAL HA H 1 3.432 0.030 . 1 . . . . 62 VAL HA . 11417 1 711 . 1 1 62 62 VAL HB H 1 1.238 0.030 . 1 . . . . 62 VAL HB . 11417 1 712 . 1 1 62 62 VAL HG11 H 1 0.446 0.030 . 1 . . . . 62 VAL HG1 . 11417 1 713 . 1 1 62 62 VAL HG12 H 1 0.446 0.030 . 1 . . . . 62 VAL HG1 . 11417 1 714 . 1 1 62 62 VAL HG13 H 1 0.446 0.030 . 1 . . . . 62 VAL HG1 . 11417 1 715 . 1 1 62 62 VAL HG21 H 1 0.799 0.030 . 1 . . . . 62 VAL HG2 . 11417 1 716 . 1 1 62 62 VAL HG22 H 1 0.799 0.030 . 1 . . . . 62 VAL HG2 . 11417 1 717 . 1 1 62 62 VAL HG23 H 1 0.799 0.030 . 1 . . . . 62 VAL HG2 . 11417 1 718 . 1 1 62 62 VAL C C 13 175.975 0.300 . 1 . . . . 62 VAL C . 11417 1 719 . 1 1 62 62 VAL CA C 13 65.628 0.300 . 1 . . . . 62 VAL CA . 11417 1 720 . 1 1 62 62 VAL CB C 13 31.826 0.300 . 1 . . . . 62 VAL CB . 11417 1 721 . 1 1 62 62 VAL CG1 C 13 20.839 0.300 . 2 . . . . 62 VAL CG1 . 11417 1 722 . 1 1 62 62 VAL CG2 C 13 22.882 0.300 . 2 . . . . 62 VAL CG2 . 11417 1 723 . 1 1 62 62 VAL N N 15 115.375 0.300 . 1 . . . . 62 VAL N . 11417 1 724 . 1 1 63 63 LEU H H 1 7.685 0.030 . 1 . . . . 63 LEU H . 11417 1 725 . 1 1 63 63 LEU HA H 1 3.657 0.030 . 1 . . . . 63 LEU HA . 11417 1 726 . 1 1 63 63 LEU HB2 H 1 1.134 0.030 . 2 . . . . 63 LEU HB2 . 11417 1 727 . 1 1 63 63 LEU HB3 H 1 1.387 0.030 . 2 . . . . 63 LEU HB3 . 11417 1 728 . 1 1 63 63 LEU HD11 H 1 0.135 0.030 . 1 . . . . 63 LEU HD1 . 11417 1 729 . 1 1 63 63 LEU HD12 H 1 0.135 0.030 . 1 . . . . 63 LEU HD1 . 11417 1 730 . 1 1 63 63 LEU HD13 H 1 0.135 0.030 . 1 . . . . 63 LEU HD1 . 11417 1 731 . 1 1 63 63 LEU HD21 H 1 0.274 0.030 . 1 . . . . 63 LEU HD2 . 11417 1 732 . 1 1 63 63 LEU HD22 H 1 0.274 0.030 . 1 . . . . 63 LEU HD2 . 11417 1 733 . 1 1 63 63 LEU HD23 H 1 0.274 0.030 . 1 . . . . 63 LEU HD2 . 11417 1 734 . 1 1 63 63 LEU HG H 1 1.388 0.030 . 1 . . . . 63 LEU HG . 11417 1 735 . 1 1 63 63 LEU C C 13 177.407 0.300 . 1 . . . . 63 LEU C . 11417 1 736 . 1 1 63 63 LEU CA C 13 56.588 0.300 . 1 . . . . 63 LEU CA . 11417 1 737 . 1 1 63 63 LEU CB C 13 42.035 0.300 . 1 . . . . 63 LEU CB . 11417 1 738 . 1 1 63 63 LEU CD1 C 13 25.668 0.300 . 2 . . . . 63 LEU CD1 . 11417 1 739 . 1 1 63 63 LEU CD2 C 13 22.609 0.300 . 2 . . . . 63 LEU CD2 . 11417 1 740 . 1 1 63 63 LEU CG C 13 25.724 0.300 . 1 . . . . 63 LEU CG . 11417 1 741 . 1 1 63 63 LEU N N 15 111.078 0.300 . 1 . . . . 63 LEU N . 11417 1 742 . 1 1 64 64 SER H H 1 7.846 0.030 . 1 . . . . 64 SER H . 11417 1 743 . 1 1 64 64 SER HA H 1 3.951 0.030 . 1 . . . . 64 SER HA . 11417 1 744 . 1 1 64 64 SER HB2 H 1 2.772 0.030 . 2 . . . . 64 SER HB2 . 11417 1 745 . 1 1 64 64 SER HB3 H 1 3.489 0.030 . 2 . . . . 64 SER HB3 . 11417 1 746 . 1 1 64 64 SER C C 13 173.412 0.300 . 1 . . . . 64 SER C . 11417 1 747 . 1 1 64 64 SER CA C 13 59.097 0.300 . 1 . . . . 64 SER CA . 11417 1 748 . 1 1 64 64 SER CB C 13 63.504 0.300 . 1 . . . . 64 SER CB . 11417 1 749 . 1 1 64 64 SER N N 15 109.328 0.300 . 1 . . . . 64 SER N . 11417 1 750 . 1 1 65 65 ASP H H 1 6.914 0.030 . 1 . . . . 65 ASP H . 11417 1 751 . 1 1 65 65 ASP HA H 1 4.843 0.030 . 1 . . . . 65 ASP HA . 11417 1 752 . 1 1 65 65 ASP HB2 H 1 2.475 0.030 . 2 . . . . 65 ASP HB2 . 11417 1 753 . 1 1 65 65 ASP HB3 H 1 2.853 0.030 . 2 . . . . 65 ASP HB3 . 11417 1 754 . 1 1 65 65 ASP C C 13 175.319 0.300 . 1 . . . . 65 ASP C . 11417 1 755 . 1 1 65 65 ASP CA C 13 52.439 0.300 . 1 . . . . 65 ASP CA . 11417 1 756 . 1 1 65 65 ASP CB C 13 43.559 0.300 . 1 . . . . 65 ASP CB . 11417 1 757 . 1 1 65 65 ASP N N 15 124.919 0.300 . 1 . . . . 65 ASP N . 11417 1 758 . 1 1 66 66 SER H H 1 8.984 0.030 . 1 . . . . 66 SER H . 11417 1 759 . 1 1 66 66 SER HA H 1 3.943 0.030 . 1 . . . . 66 SER HA . 11417 1 760 . 1 1 66 66 SER HB2 H 1 3.936 0.030 . 2 . . . . 66 SER HB2 . 11417 1 761 . 1 1 66 66 SER C C 13 176.842 0.300 . 1 . . . . 66 SER C . 11417 1 762 . 1 1 66 66 SER CA C 13 61.920 0.300 . 1 . . . . 66 SER CA . 11417 1 763 . 1 1 66 66 SER CB C 13 62.683 0.300 . 1 . . . . 66 SER CB . 11417 1 764 . 1 1 66 66 SER N N 15 121.329 0.300 . 1 . . . . 66 SER N . 11417 1 765 . 1 1 67 67 LYS H H 1 8.056 0.030 . 1 . . . . 67 LYS H . 11417 1 766 . 1 1 67 67 LYS HA H 1 4.196 0.030 . 1 . . . . 67 LYS HA . 11417 1 767 . 1 1 67 67 LYS HB2 H 1 1.962 0.030 . 2 . . . . 67 LYS HB2 . 11417 1 768 . 1 1 67 67 LYS HB3 H 1 1.914 0.030 . 2 . . . . 67 LYS HB3 . 11417 1 769 . 1 1 67 67 LYS HD2 H 1 1.720 0.030 . 2 . . . . 67 LYS HD2 . 11417 1 770 . 1 1 67 67 LYS HE2 H 1 3.001 0.030 . 2 . . . . 67 LYS HE2 . 11417 1 771 . 1 1 67 67 LYS HG2 H 1 1.395 0.030 . 2 . . . . 67 LYS HG2 . 11417 1 772 . 1 1 67 67 LYS HG3 H 1 1.519 0.030 . 2 . . . . 67 LYS HG3 . 11417 1 773 . 1 1 67 67 LYS C C 13 179.545 0.300 . 1 . . . . 67 LYS C . 11417 1 774 . 1 1 67 67 LYS CA C 13 59.370 0.300 . 1 . . . . 67 LYS CA . 11417 1 775 . 1 1 67 67 LYS CB C 13 31.957 0.300 . 1 . . . . 67 LYS CB . 11417 1 776 . 1 1 67 67 LYS CD C 13 28.993 0.300 . 1 . . . . 67 LYS CD . 11417 1 777 . 1 1 67 67 LYS CE C 13 42.055 0.300 . 1 . . . . 67 LYS CE . 11417 1 778 . 1 1 67 67 LYS CG C 13 25.163 0.300 . 1 . . . . 67 LYS CG . 11417 1 779 . 1 1 67 67 LYS N N 15 122.259 0.300 . 1 . . . . 67 LYS N . 11417 1 780 . 1 1 68 68 LYS H H 1 8.383 0.030 . 1 . . . . 68 LYS H . 11417 1 781 . 1 1 68 68 LYS HA H 1 4.002 0.030 . 1 . . . . 68 LYS HA . 11417 1 782 . 1 1 68 68 LYS HB2 H 1 1.838 0.030 . 2 . . . . 68 LYS HB2 . 11417 1 783 . 1 1 68 68 LYS HB3 H 1 2.361 0.030 . 2 . . . . 68 LYS HB3 . 11417 1 784 . 1 1 68 68 LYS HD2 H 1 1.650 0.030 . 2 . . . . 68 LYS HD2 . 11417 1 785 . 1 1 68 68 LYS HE2 H 1 2.907 0.030 . 2 . . . . 68 LYS HE2 . 11417 1 786 . 1 1 68 68 LYS HG2 H 1 1.562 0.030 . 2 . . . . 68 LYS HG2 . 11417 1 787 . 1 1 68 68 LYS HG3 H 1 1.365 0.030 . 2 . . . . 68 LYS HG3 . 11417 1 788 . 1 1 68 68 LYS C C 13 179.651 0.300 . 1 . . . . 68 LYS C . 11417 1 789 . 1 1 68 68 LYS CA C 13 60.307 0.300 . 1 . . . . 68 LYS CA . 11417 1 790 . 1 1 68 68 LYS CB C 13 32.938 0.300 . 1 . . . . 68 LYS CB . 11417 1 791 . 1 1 68 68 LYS CD C 13 30.025 0.300 . 1 . . . . 68 LYS CD . 11417 1 792 . 1 1 68 68 LYS CE C 13 42.236 0.300 . 1 . . . . 68 LYS CE . 11417 1 793 . 1 1 68 68 LYS CG C 13 26.646 0.300 . 1 . . . . 68 LYS CG . 11417 1 794 . 1 1 68 68 LYS N N 15 121.482 0.300 . 1 . . . . 68 LYS N . 11417 1 795 . 1 1 69 69 ARG H H 1 9.450 0.030 . 1 . . . . 69 ARG H . 11417 1 796 . 1 1 69 69 ARG HA H 1 3.713 0.030 . 1 . . . . 69 ARG HA . 11417 1 797 . 1 1 69 69 ARG HB2 H 1 2.154 0.030 . 2 . . . . 69 ARG HB2 . 11417 1 798 . 1 1 69 69 ARG HB3 H 1 1.769 0.030 . 2 . . . . 69 ARG HB3 . 11417 1 799 . 1 1 69 69 ARG HD2 H 1 3.167 0.030 . 2 . . . . 69 ARG HD2 . 11417 1 800 . 1 1 69 69 ARG HD3 H 1 3.538 0.030 . 2 . . . . 69 ARG HD3 . 11417 1 801 . 1 1 69 69 ARG HE H 1 8.005 0.030 . 1 . . . . 69 ARG HE . 11417 1 802 . 1 1 69 69 ARG HG2 H 1 1.850 0.030 . 2 . . . . 69 ARG HG2 . 11417 1 803 . 1 1 69 69 ARG HG3 H 1 1.730 0.030 . 2 . . . . 69 ARG HG3 . 11417 1 804 . 1 1 69 69 ARG C C 13 177.620 0.300 . 1 . . . . 69 ARG C . 11417 1 805 . 1 1 69 69 ARG CA C 13 60.372 0.300 . 1 . . . . 69 ARG CA . 11417 1 806 . 1 1 69 69 ARG CB C 13 29.863 0.300 . 1 . . . . 69 ARG CB . 11417 1 807 . 1 1 69 69 ARG CD C 13 43.887 0.300 . 1 . . . . 69 ARG CD . 11417 1 808 . 1 1 69 69 ARG CG C 13 26.594 0.300 . 1 . . . . 69 ARG CG . 11417 1 809 . 1 1 69 69 ARG N N 15 122.394 0.300 . 1 . . . . 69 ARG N . 11417 1 810 . 1 1 69 69 ARG NE N 15 86.682 0.300 . 1 . . . . 69 ARG NE . 11417 1 811 . 1 1 70 70 SER H H 1 7.711 0.030 . 1 . . . . 70 SER H . 11417 1 812 . 1 1 70 70 SER HA H 1 4.359 0.030 . 1 . . . . 70 SER HA . 11417 1 813 . 1 1 70 70 SER HB2 H 1 4.054 0.030 . 1 . . . . 70 SER HB2 . 11417 1 814 . 1 1 70 70 SER HB3 H 1 4.054 0.030 . 1 . . . . 70 SER HB3 . 11417 1 815 . 1 1 70 70 SER C C 13 177.452 0.300 . 1 . . . . 70 SER C . 11417 1 816 . 1 1 70 70 SER CA C 13 61.712 0.300 . 1 . . . . 70 SER CA . 11417 1 817 . 1 1 70 70 SER CB C 13 62.901 0.300 . 1 . . . . 70 SER CB . 11417 1 818 . 1 1 70 70 SER N N 15 112.786 0.300 . 1 . . . . 70 SER N . 11417 1 819 . 1 1 71 71 LEU H H 1 7.555 0.030 . 1 . . . . 71 LEU H . 11417 1 820 . 1 1 71 71 LEU HA H 1 4.116 0.030 . 1 . . . . 71 LEU HA . 11417 1 821 . 1 1 71 71 LEU HB2 H 1 1.667 0.030 . 2 . . . . 71 LEU HB2 . 11417 1 822 . 1 1 71 71 LEU HB3 H 1 1.908 0.030 . 2 . . . . 71 LEU HB3 . 11417 1 823 . 1 1 71 71 LEU HD11 H 1 0.930 0.030 . 1 . . . . 71 LEU HD1 . 11417 1 824 . 1 1 71 71 LEU HD12 H 1 0.930 0.030 . 1 . . . . 71 LEU HD1 . 11417 1 825 . 1 1 71 71 LEU HD13 H 1 0.930 0.030 . 1 . . . . 71 LEU HD1 . 11417 1 826 . 1 1 71 71 LEU HD21 H 1 0.900 0.030 . 1 . . . . 71 LEU HD2 . 11417 1 827 . 1 1 71 71 LEU HD22 H 1 0.900 0.030 . 1 . . . . 71 LEU HD2 . 11417 1 828 . 1 1 71 71 LEU HD23 H 1 0.900 0.030 . 1 . . . . 71 LEU HD2 . 11417 1 829 . 1 1 71 71 LEU HG H 1 1.802 0.030 . 1 . . . . 71 LEU HG . 11417 1 830 . 1 1 71 71 LEU C C 13 179.309 0.300 . 1 . . . . 71 LEU C . 11417 1 831 . 1 1 71 71 LEU CA C 13 57.922 0.300 . 1 . . . . 71 LEU CA . 11417 1 832 . 1 1 71 71 LEU CB C 13 41.877 0.300 . 1 . . . . 71 LEU CB . 11417 1 833 . 1 1 71 71 LEU CD1 C 13 25.081 0.300 . 2 . . . . 71 LEU CD1 . 11417 1 834 . 1 1 71 71 LEU CD2 C 13 23.311 0.300 . 2 . . . . 71 LEU CD2 . 11417 1 835 . 1 1 71 71 LEU CG C 13 26.976 0.300 . 1 . . . . 71 LEU CG . 11417 1 836 . 1 1 71 71 LEU N N 15 121.446 0.300 . 1 . . . . 71 LEU N . 11417 1 837 . 1 1 72 72 TYR H H 1 8.428 0.030 . 1 . . . . 72 TYR H . 11417 1 838 . 1 1 72 72 TYR HA H 1 4.166 0.030 . 1 . . . . 72 TYR HA . 11417 1 839 . 1 1 72 72 TYR HB2 H 1 3.146 0.030 . 2 . . . . 72 TYR HB2 . 11417 1 840 . 1 1 72 72 TYR HB3 H 1 3.017 0.030 . 2 . . . . 72 TYR HB3 . 11417 1 841 . 1 1 72 72 TYR HD1 H 1 7.089 0.030 . 1 . . . . 72 TYR HD1 . 11417 1 842 . 1 1 72 72 TYR HD2 H 1 7.089 0.030 . 1 . . . . 72 TYR HD2 . 11417 1 843 . 1 1 72 72 TYR HE1 H 1 6.558 0.030 . 1 . . . . 72 TYR HE1 . 11417 1 844 . 1 1 72 72 TYR HE2 H 1 6.558 0.030 . 1 . . . . 72 TYR HE2 . 11417 1 845 . 1 1 72 72 TYR C C 13 178.305 0.300 . 1 . . . . 72 TYR C . 11417 1 846 . 1 1 72 72 TYR CA C 13 61.709 0.300 . 1 . . . . 72 TYR CA . 11417 1 847 . 1 1 72 72 TYR CB C 13 38.935 0.300 . 1 . . . . 72 TYR CB . 11417 1 848 . 1 1 72 72 TYR CD1 C 13 133.038 0.300 . 1 . . . . 72 TYR CD1 . 11417 1 849 . 1 1 72 72 TYR CD2 C 13 133.038 0.300 . 1 . . . . 72 TYR CD2 . 11417 1 850 . 1 1 72 72 TYR CE1 C 13 118.804 0.300 . 1 . . . . 72 TYR CE1 . 11417 1 851 . 1 1 72 72 TYR CE2 C 13 118.804 0.300 . 1 . . . . 72 TYR CE2 . 11417 1 852 . 1 1 72 72 TYR N N 15 123.146 0.300 . 1 . . . . 72 TYR N . 11417 1 853 . 1 1 73 73 ASP H H 1 8.986 0.030 . 1 . . . . 73 ASP H . 11417 1 854 . 1 1 73 73 ASP HA H 1 4.504 0.030 . 1 . . . . 73 ASP HA . 11417 1 855 . 1 1 73 73 ASP HB2 H 1 2.817 0.030 . 2 . . . . 73 ASP HB2 . 11417 1 856 . 1 1 73 73 ASP HB3 H 1 2.719 0.030 . 2 . . . . 73 ASP HB3 . 11417 1 857 . 1 1 73 73 ASP C C 13 178.768 0.300 . 1 . . . . 73 ASP C . 11417 1 858 . 1 1 73 73 ASP CA C 13 56.712 0.300 . 1 . . . . 73 ASP CA . 11417 1 859 . 1 1 73 73 ASP CB C 13 40.378 0.300 . 1 . . . . 73 ASP CB . 11417 1 860 . 1 1 73 73 ASP N N 15 119.689 0.300 . 1 . . . . 73 ASP N . 11417 1 861 . 1 1 74 74 ARG H H 1 7.770 0.030 . 1 . . . . 74 ARG H . 11417 1 862 . 1 1 74 74 ARG HA H 1 4.182 0.030 . 1 . . . . 74 ARG HA . 11417 1 863 . 1 1 74 74 ARG HB2 H 1 1.919 0.030 . 1 . . . . 74 ARG HB2 . 11417 1 864 . 1 1 74 74 ARG HB3 H 1 1.919 0.030 . 1 . . . . 74 ARG HB3 . 11417 1 865 . 1 1 74 74 ARG HD2 H 1 3.169 0.030 . 2 . . . . 74 ARG HD2 . 11417 1 866 . 1 1 74 74 ARG HG2 H 1 1.789 0.030 . 2 . . . . 74 ARG HG2 . 11417 1 867 . 1 1 74 74 ARG HG3 H 1 1.704 0.030 . 2 . . . . 74 ARG HG3 . 11417 1 868 . 1 1 74 74 ARG C C 13 177.262 0.300 . 1 . . . . 74 ARG C . 11417 1 869 . 1 1 74 74 ARG CA C 13 57.794 0.300 . 1 . . . . 74 ARG CA . 11417 1 870 . 1 1 74 74 ARG CB C 13 30.342 0.300 . 1 . . . . 74 ARG CB . 11417 1 871 . 1 1 74 74 ARG CD C 13 43.591 0.300 . 1 . . . . 74 ARG CD . 11417 1 872 . 1 1 74 74 ARG CG C 13 27.306 0.300 . 1 . . . . 74 ARG CG . 11417 1 873 . 1 1 74 74 ARG N N 15 119.011 0.300 . 1 . . . . 74 ARG N . 11417 1 874 . 1 1 75 75 ALA H H 1 7.854 0.030 . 1 . . . . 75 ALA H . 11417 1 875 . 1 1 75 75 ALA HA H 1 4.285 0.030 . 1 . . . . 75 ALA HA . 11417 1 876 . 1 1 75 75 ALA HB1 H 1 1.437 0.030 . 1 . . . . 75 ALA HB . 11417 1 877 . 1 1 75 75 ALA HB2 H 1 1.437 0.030 . 1 . . . . 75 ALA HB . 11417 1 878 . 1 1 75 75 ALA HB3 H 1 1.437 0.030 . 1 . . . . 75 ALA HB . 11417 1 879 . 1 1 75 75 ALA C C 13 178.653 0.300 . 1 . . . . 75 ALA C . 11417 1 880 . 1 1 75 75 ALA CA C 13 53.260 0.300 . 1 . . . . 75 ALA CA . 11417 1 881 . 1 1 75 75 ALA CB C 13 18.919 0.300 . 1 . . . . 75 ALA CB . 11417 1 882 . 1 1 75 75 ALA N N 15 121.968 0.300 . 1 . . . . 75 ALA N . 11417 1 883 . 1 1 76 76 GLY H H 1 8.014 0.030 . 1 . . . . 76 GLY H . 11417 1 884 . 1 1 76 76 GLY HA2 H 1 3.759 0.030 . 1 . . . . 76 GLY HA2 . 11417 1 885 . 1 1 76 76 GLY HA3 H 1 3.759 0.030 . 1 . . . . 76 GLY HA3 . 11417 1 886 . 1 1 76 76 GLY C C 13 174.566 0.300 . 1 . . . . 76 GLY C . 11417 1 887 . 1 1 76 76 GLY CA C 13 45.579 0.300 . 1 . . . . 76 GLY CA . 11417 1 888 . 1 1 76 76 GLY N N 15 106.891 0.300 . 1 . . . . 76 GLY N . 11417 1 889 . 1 1 77 77 CYS H H 1 7.955 0.030 . 1 . . . . 77 CYS H . 11417 1 890 . 1 1 77 77 CYS HA H 1 4.024 0.030 . 1 . . . . 77 CYS HA . 11417 1 891 . 1 1 77 77 CYS HB2 H 1 2.855 0.030 . 2 . . . . 77 CYS HB2 . 11417 1 892 . 1 1 77 77 CYS HB3 H 1 2.887 0.030 . 2 . . . . 77 CYS HB3 . 11417 1 893 . 1 1 77 77 CYS C C 13 174.712 0.300 . 1 . . . . 77 CYS C . 11417 1 894 . 1 1 77 77 CYS CA C 13 59.193 0.300 . 1 . . . . 77 CYS CA . 11417 1 895 . 1 1 77 77 CYS CB C 13 27.628 0.300 . 1 . . . . 77 CYS CB . 11417 1 896 . 1 1 77 77 CYS N N 15 117.880 0.300 . 1 . . . . 77 CYS N . 11417 1 897 . 1 1 78 78 ASP H H 1 8.253 0.030 . 1 . . . . 78 ASP H . 11417 1 898 . 1 1 78 78 ASP HA H 1 4.572 0.030 . 1 . . . . 78 ASP HA . 11417 1 899 . 1 1 78 78 ASP HB2 H 1 2.572 0.030 . 2 . . . . 78 ASP HB2 . 11417 1 900 . 1 1 78 78 ASP HB3 H 1 2.628 0.030 . 2 . . . . 78 ASP HB3 . 11417 1 901 . 1 1 78 78 ASP C C 13 176.872 0.300 . 1 . . . . 78 ASP C . 11417 1 902 . 1 1 78 78 ASP CA C 13 55.015 0.300 . 1 . . . . 78 ASP CA . 11417 1 903 . 1 1 78 78 ASP CB C 13 40.978 0.300 . 1 . . . . 78 ASP CB . 11417 1 904 . 1 1 78 78 ASP N N 15 121.369 0.300 . 1 . . . . 78 ASP N . 11417 1 905 . 1 1 79 79 SER H H 1 8.100 0.030 . 1 . . . . 79 SER H . 11417 1 906 . 1 1 79 79 SER HA H 1 4.305 0.030 . 1 . . . . 79 SER HA . 11417 1 907 . 1 1 79 79 SER HB2 H 1 3.800 0.030 . 2 . . . . 79 SER HB2 . 11417 1 908 . 1 1 79 79 SER HB3 H 1 3.837 0.030 . 2 . . . . 79 SER HB3 . 11417 1 909 . 1 1 79 79 SER C C 13 174.911 0.300 . 1 . . . . 79 SER C . 11417 1 910 . 1 1 79 79 SER CA C 13 59.416 0.300 . 1 . . . . 79 SER CA . 11417 1 911 . 1 1 79 79 SER CB C 13 63.425 0.300 . 1 . . . . 79 SER CB . 11417 1 912 . 1 1 79 79 SER N N 15 115.479 0.300 . 1 . . . . 79 SER N . 11417 1 913 . 1 1 80 80 TRP H H 1 7.904 0.030 . 1 . . . . 80 TRP H . 11417 1 914 . 1 1 80 80 TRP HA H 1 4.567 0.030 . 1 . . . . 80 TRP HA . 11417 1 915 . 1 1 80 80 TRP HB2 H 1 3.269 0.030 . 2 . . . . 80 TRP HB2 . 11417 1 916 . 1 1 80 80 TRP HB3 H 1 3.335 0.030 . 2 . . . . 80 TRP HB3 . 11417 1 917 . 1 1 80 80 TRP HD1 H 1 7.232 0.030 . 1 . . . . 80 TRP HD1 . 11417 1 918 . 1 1 80 80 TRP HE1 H 1 10.041 0.030 . 1 . . . . 80 TRP HE1 . 11417 1 919 . 1 1 80 80 TRP HE3 H 1 7.534 0.030 . 1 . . . . 80 TRP HE3 . 11417 1 920 . 1 1 80 80 TRP HH2 H 1 7.190 0.030 . 1 . . . . 80 TRP HH2 . 11417 1 921 . 1 1 80 80 TRP HZ2 H 1 7.425 0.030 . 1 . . . . 80 TRP HZ2 . 11417 1 922 . 1 1 80 80 TRP HZ3 H 1 7.107 0.030 . 1 . . . . 80 TRP HZ3 . 11417 1 923 . 1 1 80 80 TRP C C 13 176.550 0.300 . 1 . . . . 80 TRP C . 11417 1 924 . 1 1 80 80 TRP CA C 13 57.820 0.300 . 1 . . . . 80 TRP CA . 11417 1 925 . 1 1 80 80 TRP CB C 13 29.106 0.300 . 1 . . . . 80 TRP CB . 11417 1 926 . 1 1 80 80 TRP CD1 C 13 127.114 0.300 . 1 . . . . 80 TRP CD1 . 11417 1 927 . 1 1 80 80 TRP CE3 C 13 120.948 0.300 . 1 . . . . 80 TRP CE3 . 11417 1 928 . 1 1 80 80 TRP CH2 C 13 124.843 0.300 . 1 . . . . 80 TRP CH2 . 11417 1 929 . 1 1 80 80 TRP CZ2 C 13 114.655 0.300 . 1 . . . . 80 TRP CZ2 . 11417 1 930 . 1 1 80 80 TRP CZ3 C 13 121.898 0.300 . 1 . . . . 80 TRP CZ3 . 11417 1 931 . 1 1 80 80 TRP N N 15 121.989 0.300 . 1 . . . . 80 TRP N . 11417 1 932 . 1 1 80 80 TRP NE1 N 15 129.544 0.300 . 1 . . . . 80 TRP NE1 . 11417 1 933 . 1 1 81 81 ARG H H 1 7.699 0.030 . 1 . . . . 81 ARG H . 11417 1 934 . 1 1 81 81 ARG HA H 1 4.068 0.030 . 1 . . . . 81 ARG HA . 11417 1 935 . 1 1 81 81 ARG HB2 H 1 1.479 0.030 . 2 . . . . 81 ARG HB2 . 11417 1 936 . 1 1 81 81 ARG HB3 H 1 1.630 0.030 . 2 . . . . 81 ARG HB3 . 11417 1 937 . 1 1 81 81 ARG HD2 H 1 3.040 0.030 . 2 . . . . 81 ARG HD2 . 11417 1 938 . 1 1 81 81 ARG HG2 H 1 1.250 0.030 . 2 . . . . 81 ARG HG2 . 11417 1 939 . 1 1 81 81 ARG C C 13 176.049 0.300 . 1 . . . . 81 ARG C . 11417 1 940 . 1 1 81 81 ARG CA C 13 56.303 0.300 . 1 . . . . 81 ARG CA . 11417 1 941 . 1 1 81 81 ARG CB C 13 30.700 0.300 . 1 . . . . 81 ARG CB . 11417 1 942 . 1 1 81 81 ARG CD C 13 43.332 0.300 . 1 . . . . 81 ARG CD . 11417 1 943 . 1 1 81 81 ARG CG C 13 26.976 0.300 . 1 . . . . 81 ARG CG . 11417 1 944 . 1 1 81 81 ARG N N 15 121.835 0.300 . 1 . . . . 81 ARG N . 11417 1 945 . 1 1 82 82 ALA H H 1 8.018 0.030 . 1 . . . . 82 ALA H . 11417 1 946 . 1 1 82 82 ALA HA H 1 4.184 0.030 . 1 . . . . 82 ALA HA . 11417 1 947 . 1 1 82 82 ALA HB1 H 1 1.362 0.030 . 1 . . . . 82 ALA HB . 11417 1 948 . 1 1 82 82 ALA HB2 H 1 1.362 0.030 . 1 . . . . 82 ALA HB . 11417 1 949 . 1 1 82 82 ALA HB3 H 1 1.362 0.030 . 1 . . . . 82 ALA HB . 11417 1 950 . 1 1 82 82 ALA C C 13 178.330 0.300 . 1 . . . . 82 ALA C . 11417 1 951 . 1 1 82 82 ALA CA C 13 52.777 0.300 . 1 . . . . 82 ALA CA . 11417 1 952 . 1 1 82 82 ALA CB C 13 19.080 0.300 . 1 . . . . 82 ALA CB . 11417 1 953 . 1 1 82 82 ALA N N 15 124.166 0.300 . 1 . . . . 82 ALA N . 11417 1 954 . 1 1 83 83 GLY H H 1 8.272 0.030 . 1 . . . . 83 GLY H . 11417 1 955 . 1 1 83 83 GLY HA2 H 1 3.943 0.030 . 1 . . . . 83 GLY HA2 . 11417 1 956 . 1 1 83 83 GLY HA3 H 1 3.943 0.030 . 1 . . . . 83 GLY HA3 . 11417 1 957 . 1 1 83 83 GLY C C 13 174.946 0.300 . 1 . . . . 83 GLY C . 11417 1 958 . 1 1 83 83 GLY CA C 13 45.424 0.300 . 1 . . . . 83 GLY CA . 11417 1 959 . 1 1 83 83 GLY N N 15 108.056 0.300 . 1 . . . . 83 GLY N . 11417 1 960 . 1 1 84 84 GLY H H 1 8.236 0.030 . 1 . . . . 84 GLY H . 11417 1 961 . 1 1 84 84 GLY HA2 H 1 3.940 0.030 . 1 . . . . 84 GLY HA2 . 11417 1 962 . 1 1 84 84 GLY HA3 H 1 3.940 0.030 . 1 . . . . 84 GLY HA3 . 11417 1 963 . 1 1 84 84 GLY C C 13 174.809 0.300 . 1 . . . . 84 GLY C . 11417 1 964 . 1 1 84 84 GLY CA C 13 45.403 0.300 . 1 . . . . 84 GLY CA . 11417 1 965 . 1 1 84 84 GLY N N 15 108.691 0.300 . 1 . . . . 84 GLY N . 11417 1 966 . 1 1 85 85 GLY H H 1 8.276 0.030 . 1 . . . . 85 GLY H . 11417 1 967 . 1 1 85 85 GLY HA2 H 1 3.876 0.030 . 1 . . . . 85 GLY HA2 . 11417 1 968 . 1 1 85 85 GLY HA3 H 1 3.876 0.030 . 1 . . . . 85 GLY HA3 . 11417 1 969 . 1 1 85 85 GLY C C 13 174.059 0.300 . 1 . . . . 85 GLY C . 11417 1 970 . 1 1 85 85 GLY CA C 13 45.192 0.300 . 1 . . . . 85 GLY CA . 11417 1 971 . 1 1 85 85 GLY N N 15 108.817 0.300 . 1 . . . . 85 GLY N . 11417 1 972 . 1 1 86 86 ALA H H 1 8.220 0.030 . 1 . . . . 86 ALA H . 11417 1 973 . 1 1 86 86 ALA HA H 1 4.350 0.030 . 1 . . . . 86 ALA HA . 11417 1 974 . 1 1 86 86 ALA HB1 H 1 1.369 0.030 . 1 . . . . 86 ALA HB . 11417 1 975 . 1 1 86 86 ALA HB2 H 1 1.369 0.030 . 1 . . . . 86 ALA HB . 11417 1 976 . 1 1 86 86 ALA HB3 H 1 1.369 0.030 . 1 . . . . 86 ALA HB . 11417 1 977 . 1 1 86 86 ALA C C 13 177.916 0.300 . 1 . . . . 86 ALA C . 11417 1 978 . 1 1 86 86 ALA CA C 13 52.581 0.300 . 1 . . . . 86 ALA CA . 11417 1 979 . 1 1 86 86 ALA CB C 13 19.395 0.300 . 1 . . . . 86 ALA CB . 11417 1 980 . 1 1 86 86 ALA N N 15 123.926 0.300 . 1 . . . . 86 ALA N . 11417 1 981 . 1 1 87 87 SER H H 1 8.304 0.030 . 1 . . . . 87 SER H . 11417 1 982 . 1 1 87 87 SER HA H 1 4.478 0.030 . 1 . . . . 87 SER HA . 11417 1 983 . 1 1 87 87 SER HB2 H 1 3.872 0.030 . 1 . . . . 87 SER HB2 . 11417 1 984 . 1 1 87 87 SER HB3 H 1 3.872 0.030 . 1 . . . . 87 SER HB3 . 11417 1 985 . 1 1 87 87 SER C C 13 174.582 0.300 . 1 . . . . 87 SER C . 11417 1 986 . 1 1 87 87 SER CA C 13 58.292 0.300 . 1 . . . . 87 SER CA . 11417 1 987 . 1 1 87 87 SER CB C 13 63.955 0.300 . 1 . . . . 87 SER CB . 11417 1 988 . 1 1 87 87 SER N N 15 114.967 0.300 . 1 . . . . 87 SER N . 11417 1 989 . 1 1 88 88 GLY H H 1 8.152 0.030 . 1 . . . . 88 GLY H . 11417 1 990 . 1 1 88 88 GLY HA2 H 1 4.100 0.030 . 2 . . . . 88 GLY HA2 . 11417 1 991 . 1 1 88 88 GLY HA3 H 1 4.059 0.030 . 2 . . . . 88 GLY HA3 . 11417 1 992 . 1 1 88 88 GLY C C 13 171.787 0.300 . 1 . . . . 88 GLY C . 11417 1 993 . 1 1 88 88 GLY CA C 13 44.635 0.300 . 1 . . . . 88 GLY CA . 11417 1 994 . 1 1 88 88 GLY N N 15 110.520 0.300 . 1 . . . . 88 GLY N . 11417 1 995 . 1 1 89 89 PRO HA H 1 4.449 0.030 . 1 . . . . 89 PRO HA . 11417 1 996 . 1 1 89 89 PRO HB2 H 1 2.268 0.030 . 2 . . . . 89 PRO HB2 . 11417 1 997 . 1 1 89 89 PRO HD2 H 1 3.586 0.030 . 1 . . . . 89 PRO HD2 . 11417 1 998 . 1 1 89 89 PRO HD3 H 1 3.586 0.030 . 1 . . . . 89 PRO HD3 . 11417 1 999 . 1 1 89 89 PRO HG2 H 1 1.991 0.030 . 1 . . . . 89 PRO HG2 . 11417 1 1000 . 1 1 89 89 PRO HG3 H 1 1.991 0.030 . 1 . . . . 89 PRO HG3 . 11417 1 1001 . 1 1 89 89 PRO CA C 13 63.277 0.300 . 1 . . . . 89 PRO CA . 11417 1 1002 . 1 1 89 89 PRO CB C 13 32.200 0.300 . 1 . . . . 89 PRO CB . 11417 1 1003 . 1 1 89 89 PRO CD C 13 49.765 0.300 . 1 . . . . 89 PRO CD . 11417 1 1004 . 1 1 89 89 PRO CG C 13 27.144 0.300 . 1 . . . . 89 PRO CG . 11417 1 1005 . 1 1 91 91 SER HA H 1 4.490 0.030 . 1 . . . . 91 SER HA . 11417 1 1006 . 1 1 91 91 SER HB2 H 1 3.888 0.030 . 1 . . . . 91 SER HB2 . 11417 1 1007 . 1 1 91 91 SER HB3 H 1 3.888 0.030 . 1 . . . . 91 SER HB3 . 11417 1 1008 . 1 1 91 91 SER C C 13 173.959 0.300 . 1 . . . . 91 SER C . 11417 1 1009 . 1 1 91 91 SER CA C 13 58.397 0.300 . 1 . . . . 91 SER CA . 11417 1 1010 . 1 1 91 91 SER CB C 13 64.058 0.300 . 1 . . . . 91 SER CB . 11417 1 1011 . 1 1 92 92 GLY H H 1 8.045 0.030 . 1 . . . . 92 GLY H . 11417 1 1012 . 1 1 92 92 GLY C C 13 179.022 0.300 . 1 . . . . 92 GLY C . 11417 1 1013 . 1 1 92 92 GLY CA C 13 46.233 0.300 . 1 . . . . 92 GLY CA . 11417 1 1014 . 1 1 92 92 GLY N N 15 116.839 0.300 . 1 . . . . 92 GLY N . 11417 1 stop_ save_