data_11153 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 11153 _Entry.Title ; Solution structure of the SH3 domain of 130 kDa phosphatidylinositol 4,5-biphosphate-dependent ARF1 GTPase-activating protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-04-15 _Entry.Accession_date 2010-04-15 _Entry.Last_release_date 2011-05-05 _Entry.Original_release_date 2011-05-05 _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 H. Abe . . . 11153 2 N. Tochio . . . 11153 3 K. Miyamoto . . . 11153 4 K. Saito . . . 11153 5 T. Kigawa . . . 11153 6 S. Yokoyama . . . 11153 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)' . 11153 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 11153 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 11153 '15N chemical shifts' 69 11153 '1H chemical shifts' 468 11153 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-05 2010-04-15 original author . 11153 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2ED1 'BMRB Entry Tracking System' 11153 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 11153 _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 SH3 domain of 130 kDa phosphatidylinositol 4,5-biphosphate-dependent ARF1 GTPase-activating protein ; _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 H. Abe . . . 11153 1 2 N. Tochio . . . 11153 1 3 K. Miyamoto . . . 11153 1 4 K. Saito . . . 11153 1 5 T. Kigawa . . . 11153 1 6 S. Yokoyama . . . 11153 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 11153 _Assembly.ID 1 _Assembly.Name ; 130 kDa phosphatidylinositol 4,5-biphosphate-dependent ARF1 GTPase-activating protein ; _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 'SH3 domain' 1 $entity_1 A . yes native no no . . . 11153 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 2ed1 . . . . . . 11153 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 11153 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SH3 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 ; GSSGSSGNKVRRVKTIYDCQ ADNDDELTFIEGEVIIVTGE EDQEWWIGHIEGQPERKGVF PVSFVHILSDSGPSSG ; _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 76 _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 BMRB 11081 . "DDEF1 SH3" . . . . . 80.26 61 100.00 100.00 1.55e-35 . . . . 11153 1 2 no BMRB 11082 . "DDEF1 SH3" . . . . . 80.26 61 100.00 100.00 1.55e-35 . . . . 11153 1 3 no PDB 2ED1 . "Solution Structure Of The Sh3 Domain Of 130 Kda Phosphatidylinositol 4,5-Biphosphate-Dependent Arf1 Gtpase- Activating Protein" . . . . . 100.00 76 100.00 100.00 3.44e-46 . . . . 11153 1 4 no PDB 2RQT . "Solution Structure Of The Human Ddef1 Sh3 Domain" . . . . . 80.26 61 100.00 100.00 1.55e-35 . . . . 11153 1 5 no PDB 2RQU . "Solution Structure Of The Complex Between The Ddef1 Sh3 Domain And The Apc Samp1 Motif" . . . . . 80.26 61 100.00 100.00 1.55e-35 . . . . 11153 1 6 no DBJ BAA86563 . "KIAA1249 protein [Homo sapiens]" . . . . . 82.89 949 100.00 100.00 4.22e-35 . . . . 11153 1 7 no DBJ BAC65759 . "mKIAA1249 protein [Mus musculus]" . . . . . 82.89 1079 100.00 100.00 3.89e-35 . . . . 11153 1 8 no DBJ BAE27250 . "unnamed protein product [Mus musculus]" . . . . . 82.89 1087 100.00 100.00 2.85e-35 . . . . 11153 1 9 no DBJ BAE34783 . "unnamed protein product [Mus musculus]" . . . . . 82.89 133 100.00 100.00 3.25e-38 . . . . 11153 1 10 no EMBL CAD97831 . "hypothetical protein [Homo sapiens]" . . . . . 82.89 956 100.00 100.00 4.45e-35 . . . . 11153 1 11 no GB AAB82338 . "SrcSH3 binding protein [Mus musculus]" . . . . . 82.89 494 100.00 100.00 3.73e-35 . . . . 11153 1 12 no GB AAC98349 . "ADP-ribosylation factor-directed GTPase activating protein isoform a [Mus musculus]" . . . . . 82.89 1147 100.00 100.00 4.48e-35 . . . . 11153 1 13 no GB AAC98350 . "ADP-ribosylation factor-directed GTPase activating protein isoform b [Mus musculus]" . . . . . 82.89 1090 100.00 100.00 2.86e-35 . . . . 11153 1 14 no GB AAH02201 . "Asap1 protein, partial [Mus musculus]" . . . . . 82.89 430 100.00 100.00 8.56e-35 . . . . 11153 1 15 no GB AAH48818 . "Asap1 protein, partial [Mus musculus]" . . . . . 82.89 1167 100.00 100.00 4.31e-35 . . . . 11153 1 16 no REF NP_001037710 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 [Rattus norvegicus]" . . . . . 82.89 1144 100.00 100.00 4.21e-35 . . . . 11153 1 17 no REF NP_001234925 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 isoform 2 [Homo sapiens]" . . . . . 82.89 1122 100.00 100.00 3.65e-35 . . . . 11153 1 18 no REF NP_001263390 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 isoform b [Mus musculus]" . . . . . 82.89 1087 100.00 100.00 2.85e-35 . . . . 11153 1 19 no REF NP_001263391 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 isoform c [Mus musculus]" . . . . . 82.89 1124 100.00 100.00 3.73e-35 . . . . 11153 1 20 no REF NP_001263392 . "arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1 isoform d [Mus musculus]" . . . . . 82.89 1112 100.00 100.00 3.68e-35 . . . . 11153 1 21 no SP Q1AAU6 . "RecName: Full=Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1; AltName: Full=130 kDa phosphatidylinosito" . . . . . 82.89 1144 100.00 100.00 4.21e-35 . . . . 11153 1 22 no SP Q9QWY8 . "RecName: Full=Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1; AltName: Full=130 kDa phosphatidylinosito" . . . . . 82.89 1147 100.00 100.00 4.14e-35 . . . . 11153 1 23 no SP Q9ULH1 . "RecName: Full=Arf-GAP with SH3 domain, ANK repeat and PH domain-containing protein 1; AltName: Full=130 kDa phosphatidylinosito" . . . . . 82.89 1129 100.00 100.00 4.39e-35 . . . . 11153 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SH3 domain' . 11153 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 . 11153 1 2 . SER . 11153 1 3 . SER . 11153 1 4 . GLY . 11153 1 5 . SER . 11153 1 6 . SER . 11153 1 7 . GLY . 11153 1 8 . ASN . 11153 1 9 . LYS . 11153 1 10 . VAL . 11153 1 11 . ARG . 11153 1 12 . ARG . 11153 1 13 . VAL . 11153 1 14 . LYS . 11153 1 15 . THR . 11153 1 16 . ILE . 11153 1 17 . TYR . 11153 1 18 . ASP . 11153 1 19 . CYS . 11153 1 20 . GLN . 11153 1 21 . ALA . 11153 1 22 . ASP . 11153 1 23 . ASN . 11153 1 24 . ASP . 11153 1 25 . ASP . 11153 1 26 . GLU . 11153 1 27 . LEU . 11153 1 28 . THR . 11153 1 29 . PHE . 11153 1 30 . ILE . 11153 1 31 . GLU . 11153 1 32 . GLY . 11153 1 33 . GLU . 11153 1 34 . VAL . 11153 1 35 . ILE . 11153 1 36 . ILE . 11153 1 37 . VAL . 11153 1 38 . THR . 11153 1 39 . GLY . 11153 1 40 . GLU . 11153 1 41 . GLU . 11153 1 42 . ASP . 11153 1 43 . GLN . 11153 1 44 . GLU . 11153 1 45 . TRP . 11153 1 46 . TRP . 11153 1 47 . ILE . 11153 1 48 . GLY . 11153 1 49 . HIS . 11153 1 50 . ILE . 11153 1 51 . GLU . 11153 1 52 . GLY . 11153 1 53 . GLN . 11153 1 54 . PRO . 11153 1 55 . GLU . 11153 1 56 . ARG . 11153 1 57 . LYS . 11153 1 58 . GLY . 11153 1 59 . VAL . 11153 1 60 . PHE . 11153 1 61 . PRO . 11153 1 62 . VAL . 11153 1 63 . SER . 11153 1 64 . PHE . 11153 1 65 . VAL . 11153 1 66 . HIS . 11153 1 67 . ILE . 11153 1 68 . LEU . 11153 1 69 . SER . 11153 1 70 . ASP . 11153 1 71 . SER . 11153 1 72 . GLY . 11153 1 73 . PRO . 11153 1 74 . SER . 11153 1 75 . SER . 11153 1 76 . GLY . 11153 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 11153 1 . SER 2 2 11153 1 . SER 3 3 11153 1 . GLY 4 4 11153 1 . SER 5 5 11153 1 . SER 6 6 11153 1 . GLY 7 7 11153 1 . ASN 8 8 11153 1 . LYS 9 9 11153 1 . VAL 10 10 11153 1 . ARG 11 11 11153 1 . ARG 12 12 11153 1 . VAL 13 13 11153 1 . LYS 14 14 11153 1 . THR 15 15 11153 1 . ILE 16 16 11153 1 . TYR 17 17 11153 1 . ASP 18 18 11153 1 . CYS 19 19 11153 1 . GLN 20 20 11153 1 . ALA 21 21 11153 1 . ASP 22 22 11153 1 . ASN 23 23 11153 1 . ASP 24 24 11153 1 . ASP 25 25 11153 1 . GLU 26 26 11153 1 . LEU 27 27 11153 1 . THR 28 28 11153 1 . PHE 29 29 11153 1 . ILE 30 30 11153 1 . GLU 31 31 11153 1 . GLY 32 32 11153 1 . GLU 33 33 11153 1 . VAL 34 34 11153 1 . ILE 35 35 11153 1 . ILE 36 36 11153 1 . VAL 37 37 11153 1 . THR 38 38 11153 1 . GLY 39 39 11153 1 . GLU 40 40 11153 1 . GLU 41 41 11153 1 . ASP 42 42 11153 1 . GLN 43 43 11153 1 . GLU 44 44 11153 1 . TRP 45 45 11153 1 . TRP 46 46 11153 1 . ILE 47 47 11153 1 . GLY 48 48 11153 1 . HIS 49 49 11153 1 . ILE 50 50 11153 1 . GLU 51 51 11153 1 . GLY 52 52 11153 1 . GLN 53 53 11153 1 . PRO 54 54 11153 1 . GLU 55 55 11153 1 . ARG 56 56 11153 1 . LYS 57 57 11153 1 . GLY 58 58 11153 1 . VAL 59 59 11153 1 . PHE 60 60 11153 1 . PRO 61 61 11153 1 . VAL 62 62 11153 1 . SER 63 63 11153 1 . PHE 64 64 11153 1 . VAL 65 65 11153 1 . HIS 66 66 11153 1 . ILE 67 67 11153 1 . LEU 68 68 11153 1 . SER 69 69 11153 1 . ASP 70 70 11153 1 . SER 71 71 11153 1 . GLY 72 72 11153 1 . PRO 73 73 11153 1 . SER 74 74 11153 1 . SER 75 75 11153 1 . GLY 76 76 11153 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 11153 _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 . . . . . . . . . . . . . . . . . . . . . 11153 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 11153 _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' . . 562 Escherichia coli . . . . . . . . . . . . . . . . P050627-26 . . . . . . 11153 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 11153 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 1.15mM {Protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 10% D2O, 90% H2O ; _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 'SH3 domain' '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.15 . . mM . . . . 11153 1 2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11153 1 3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11153 1 4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11153 1 5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11153 1 6 H2O . . . . . . solvent 90 . . % . . . . 11153 1 7 D2O . . . . . . solvent 10 . . % . . . . 11153 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 11153 _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 11153 1 pH 7.0 0.05 pH 11153 1 pressure 1 0.001 atm 11153 1 temperature 298 0.1 K 11153 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 11153 _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 . . 11153 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 11153 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 11153 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20031121 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, F.' . . 11153 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 11153 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 11153 _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.' . . 11153 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11153 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 11153 _Software.ID 4 _Software.Name Kujira _Software.Version 0.9747 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Kobayashi, N.' . . 11153 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 11153 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 11153 _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.' . . 11153 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 11153 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 11153 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 11153 _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 . 800 . . . 11153 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 11153 _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 . . . . . . . . . . . . . . . . 11153 1 2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11153 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 11153 _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 . . . . . . . . . 11153 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11153 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11153 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 11153 _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 11153 1 2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11153 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 . . 11153 1 2 $NMRPipe . . 11153 1 3 $NMRView . . 11153 1 4 $Kujira . . 11153 1 5 $CYANA . . 11153 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 8 8 ASN HA H 1 4.700 0.030 . 1 . . . . 8 ASN HA . 11153 1 2 . 1 1 8 8 ASN HB2 H 1 2.805 0.030 . 2 . . . . 8 ASN HB2 . 11153 1 3 . 1 1 8 8 ASN HB3 H 1 2.743 0.030 . 2 . . . . 8 ASN HB3 . 11153 1 4 . 1 1 8 8 ASN HD21 H 1 7.566 0.030 . 2 . . . . 8 ASN HD21 . 11153 1 5 . 1 1 8 8 ASN HD22 H 1 6.887 0.030 . 2 . . . . 8 ASN HD22 . 11153 1 6 . 1 1 8 8 ASN C C 13 175.063 0.300 . 1 . . . . 8 ASN C . 11153 1 7 . 1 1 8 8 ASN CA C 13 53.214 0.300 . 1 . . . . 8 ASN CA . 11153 1 8 . 1 1 8 8 ASN CB C 13 38.994 0.300 . 1 . . . . 8 ASN CB . 11153 1 9 . 1 1 8 8 ASN ND2 N 15 112.799 0.300 . 1 . . . . 8 ASN ND2 . 11153 1 10 . 1 1 9 9 LYS H H 1 8.256 0.030 . 1 . . . . 9 LYS H . 11153 1 11 . 1 1 9 9 LYS HA H 1 4.360 0.030 . 1 . . . . 9 LYS HA . 11153 1 12 . 1 1 9 9 LYS HB2 H 1 1.810 0.030 . 2 . . . . 9 LYS HB2 . 11153 1 13 . 1 1 9 9 LYS HB3 H 1 1.737 0.030 . 2 . . . . 9 LYS HB3 . 11153 1 14 . 1 1 9 9 LYS HD2 H 1 1.669 0.030 . 1 . . . . 9 LYS HD2 . 11153 1 15 . 1 1 9 9 LYS HD3 H 1 1.669 0.030 . 1 . . . . 9 LYS HD3 . 11153 1 16 . 1 1 9 9 LYS HE2 H 1 2.995 0.030 . 1 . . . . 9 LYS HE2 . 11153 1 17 . 1 1 9 9 LYS HE3 H 1 2.995 0.030 . 1 . . . . 9 LYS HE3 . 11153 1 18 . 1 1 9 9 LYS HG2 H 1 1.442 0.030 . 2 . . . . 9 LYS HG2 . 11153 1 19 . 1 1 9 9 LYS HG3 H 1 1.378 0.030 . 2 . . . . 9 LYS HG3 . 11153 1 20 . 1 1 9 9 LYS C C 13 176.277 0.300 . 1 . . . . 9 LYS C . 11153 1 21 . 1 1 9 9 LYS CA C 13 56.189 0.300 . 1 . . . . 9 LYS CA . 11153 1 22 . 1 1 9 9 LYS CB C 13 33.072 0.300 . 1 . . . . 9 LYS CB . 11153 1 23 . 1 1 9 9 LYS CD C 13 29.070 0.300 . 1 . . . . 9 LYS CD . 11153 1 24 . 1 1 9 9 LYS CE C 13 42.176 0.300 . 1 . . . . 9 LYS CE . 11153 1 25 . 1 1 9 9 LYS CG C 13 24.740 0.300 . 1 . . . . 9 LYS CG . 11153 1 26 . 1 1 9 9 LYS N N 15 121.820 0.300 . 1 . . . . 9 LYS N . 11153 1 27 . 1 1 10 10 VAL H H 1 8.234 0.030 . 1 . . . . 10 VAL H . 11153 1 28 . 1 1 10 10 VAL HA H 1 4.103 0.030 . 1 . . . . 10 VAL HA . 11153 1 29 . 1 1 10 10 VAL HB H 1 1.988 0.030 . 1 . . . . 10 VAL HB . 11153 1 30 . 1 1 10 10 VAL HG11 H 1 0.943 0.030 . 1 . . . . 10 VAL HG1 . 11153 1 31 . 1 1 10 10 VAL HG12 H 1 0.943 0.030 . 1 . . . . 10 VAL HG1 . 11153 1 32 . 1 1 10 10 VAL HG13 H 1 0.943 0.030 . 1 . . . . 10 VAL HG1 . 11153 1 33 . 1 1 10 10 VAL HG21 H 1 0.907 0.030 . 1 . . . . 10 VAL HG2 . 11153 1 34 . 1 1 10 10 VAL HG22 H 1 0.907 0.030 . 1 . . . . 10 VAL HG2 . 11153 1 35 . 1 1 10 10 VAL HG23 H 1 0.907 0.030 . 1 . . . . 10 VAL HG2 . 11153 1 36 . 1 1 10 10 VAL C C 13 175.306 0.300 . 1 . . . . 10 VAL C . 11153 1 37 . 1 1 10 10 VAL CA C 13 62.240 0.300 . 1 . . . . 10 VAL CA . 11153 1 38 . 1 1 10 10 VAL CB C 13 33.195 0.300 . 1 . . . . 10 VAL CB . 11153 1 39 . 1 1 10 10 VAL CG1 C 13 20.868 0.300 . 2 . . . . 10 VAL CG1 . 11153 1 40 . 1 1 10 10 VAL CG2 C 13 21.610 0.300 . 2 . . . . 10 VAL CG2 . 11153 1 41 . 1 1 10 10 VAL N N 15 122.442 0.300 . 1 . . . . 10 VAL N . 11153 1 42 . 1 1 11 11 ARG H H 1 8.645 0.030 . 1 . . . . 11 ARG H . 11153 1 43 . 1 1 11 11 ARG HA H 1 4.538 0.030 . 1 . . . . 11 ARG HA . 11153 1 44 . 1 1 11 11 ARG HB2 H 1 1.838 0.030 . 2 . . . . 11 ARG HB2 . 11153 1 45 . 1 1 11 11 ARG HB3 H 1 1.777 0.030 . 2 . . . . 11 ARG HB3 . 11153 1 46 . 1 1 11 11 ARG HD2 H 1 3.049 0.030 . 2 . . . . 11 ARG HD2 . 11153 1 47 . 1 1 11 11 ARG HD3 H 1 2.985 0.030 . 2 . . . . 11 ARG HD3 . 11153 1 48 . 1 1 11 11 ARG HG2 H 1 1.650 0.030 . 2 . . . . 11 ARG HG2 . 11153 1 49 . 1 1 11 11 ARG HG3 H 1 1.522 0.030 . 2 . . . . 11 ARG HG3 . 11153 1 50 . 1 1 11 11 ARG C C 13 174.116 0.300 . 1 . . . . 11 ARG C . 11153 1 51 . 1 1 11 11 ARG CA C 13 55.682 0.300 . 1 . . . . 11 ARG CA . 11153 1 52 . 1 1 11 11 ARG CB C 13 32.200 0.300 . 1 . . . . 11 ARG CB . 11153 1 53 . 1 1 11 11 ARG CD C 13 43.823 0.300 . 1 . . . . 11 ARG CD . 11153 1 54 . 1 1 11 11 ARG CG C 13 26.586 0.300 . 1 . . . . 11 ARG CG . 11153 1 55 . 1 1 11 11 ARG N N 15 127.025 0.300 . 1 . . . . 11 ARG N . 11153 1 56 . 1 1 12 12 ARG H H 1 8.625 0.030 . 1 . . . . 12 ARG H . 11153 1 57 . 1 1 12 12 ARG HA H 1 5.448 0.030 . 1 . . . . 12 ARG HA . 11153 1 58 . 1 1 12 12 ARG HB2 H 1 1.685 0.030 . 2 . . . . 12 ARG HB2 . 11153 1 59 . 1 1 12 12 ARG HB3 H 1 1.596 0.030 . 2 . . . . 12 ARG HB3 . 11153 1 60 . 1 1 12 12 ARG HD2 H 1 3.128 0.030 . 1 . . . . 12 ARG HD2 . 11153 1 61 . 1 1 12 12 ARG HD3 H 1 3.128 0.030 . 1 . . . . 12 ARG HD3 . 11153 1 62 . 1 1 12 12 ARG HE H 1 7.964 0.030 . 1 . . . . 12 ARG HE . 11153 1 63 . 1 1 12 12 ARG HG2 H 1 1.395 0.030 . 2 . . . . 12 ARG HG2 . 11153 1 64 . 1 1 12 12 ARG HG3 H 1 1.580 0.030 . 2 . . . . 12 ARG HG3 . 11153 1 65 . 1 1 12 12 ARG C C 13 175.743 0.300 . 1 . . . . 12 ARG C . 11153 1 66 . 1 1 12 12 ARG CA C 13 54.738 0.300 . 1 . . . . 12 ARG CA . 11153 1 67 . 1 1 12 12 ARG CB C 13 34.222 0.300 . 1 . . . . 12 ARG CB . 11153 1 68 . 1 1 12 12 ARG CD C 13 43.411 0.300 . 1 . . . . 12 ARG CD . 11153 1 69 . 1 1 12 12 ARG CG C 13 28.784 0.300 . 1 . . . . 12 ARG CG . 11153 1 70 . 1 1 12 12 ARG N N 15 123.151 0.300 . 1 . . . . 12 ARG N . 11153 1 71 . 1 1 12 12 ARG NE N 15 84.861 0.300 . 1 . . . . 12 ARG NE . 11153 1 72 . 1 1 13 13 VAL H H 1 8.986 0.030 . 1 . . . . 13 VAL H . 11153 1 73 . 1 1 13 13 VAL HA H 1 5.108 0.030 . 1 . . . . 13 VAL HA . 11153 1 74 . 1 1 13 13 VAL HB H 1 1.964 0.030 . 1 . . . . 13 VAL HB . 11153 1 75 . 1 1 13 13 VAL HG11 H 1 1.076 0.030 . 1 . . . . 13 VAL HG1 . 11153 1 76 . 1 1 13 13 VAL HG12 H 1 1.076 0.030 . 1 . . . . 13 VAL HG1 . 11153 1 77 . 1 1 13 13 VAL HG13 H 1 1.076 0.030 . 1 . . . . 13 VAL HG1 . 11153 1 78 . 1 1 13 13 VAL HG21 H 1 0.632 0.030 . 1 . . . . 13 VAL HG2 . 11153 1 79 . 1 1 13 13 VAL HG22 H 1 0.632 0.030 . 1 . . . . 13 VAL HG2 . 11153 1 80 . 1 1 13 13 VAL HG23 H 1 0.632 0.030 . 1 . . . . 13 VAL HG2 . 11153 1 81 . 1 1 13 13 VAL C C 13 172.441 0.300 . 1 . . . . 13 VAL C . 11153 1 82 . 1 1 13 13 VAL CA C 13 58.120 0.300 . 1 . . . . 13 VAL CA . 11153 1 83 . 1 1 13 13 VAL CB C 13 35.123 0.300 . 1 . . . . 13 VAL CB . 11153 1 84 . 1 1 13 13 VAL CG1 C 13 22.769 0.300 . 2 . . . . 13 VAL CG1 . 11153 1 85 . 1 1 13 13 VAL CG2 C 13 20.531 0.300 . 2 . . . . 13 VAL CG2 . 11153 1 86 . 1 1 13 13 VAL N N 15 113.770 0.300 . 1 . . . . 13 VAL N . 11153 1 87 . 1 1 14 14 LYS H H 1 9.062 0.030 . 1 . . . . 14 LYS H . 11153 1 88 . 1 1 14 14 LYS HA H 1 5.417 0.030 . 1 . . . . 14 LYS HA . 11153 1 89 . 1 1 14 14 LYS HB2 H 1 1.643 0.030 . 2 . . . . 14 LYS HB2 . 11153 1 90 . 1 1 14 14 LYS HB3 H 1 1.483 0.030 . 2 . . . . 14 LYS HB3 . 11153 1 91 . 1 1 14 14 LYS HD2 H 1 1.638 0.030 . 1 . . . . 14 LYS HD2 . 11153 1 92 . 1 1 14 14 LYS HD3 H 1 1.638 0.030 . 1 . . . . 14 LYS HD3 . 11153 1 93 . 1 1 14 14 LYS HE2 H 1 2.887 0.030 . 1 . . . . 14 LYS HE2 . 11153 1 94 . 1 1 14 14 LYS HE3 H 1 2.887 0.030 . 1 . . . . 14 LYS HE3 . 11153 1 95 . 1 1 14 14 LYS HG2 H 1 1.386 0.030 . 2 . . . . 14 LYS HG2 . 11153 1 96 . 1 1 14 14 LYS HG3 H 1 1.185 0.030 . 2 . . . . 14 LYS HG3 . 11153 1 97 . 1 1 14 14 LYS C C 13 176.447 0.300 . 1 . . . . 14 LYS C . 11153 1 98 . 1 1 14 14 LYS CA C 13 53.426 0.300 . 1 . . . . 14 LYS CA . 11153 1 99 . 1 1 14 14 LYS CB C 13 36.583 0.300 . 1 . . . . 14 LYS CB . 11153 1 100 . 1 1 14 14 LYS CD C 13 29.650 0.300 . 1 . . . . 14 LYS CD . 11153 1 101 . 1 1 14 14 LYS CE C 13 41.870 0.300 . 1 . . . . 14 LYS CE . 11153 1 102 . 1 1 14 14 LYS CG C 13 24.855 0.300 . 1 . . . . 14 LYS CG . 11153 1 103 . 1 1 14 14 LYS N N 15 122.001 0.300 . 1 . . . . 14 LYS N . 11153 1 104 . 1 1 15 15 THR H H 1 9.282 0.030 . 1 . . . . 15 THR H . 11153 1 105 . 1 1 15 15 THR HA H 1 4.455 0.030 . 1 . . . . 15 THR HA . 11153 1 106 . 1 1 15 15 THR HB H 1 4.507 0.030 . 1 . . . . 15 THR HB . 11153 1 107 . 1 1 15 15 THR HG21 H 1 0.118 0.030 . 1 . . . . 15 THR HG2 . 11153 1 108 . 1 1 15 15 THR HG22 H 1 0.118 0.030 . 1 . . . . 15 THR HG2 . 11153 1 109 . 1 1 15 15 THR HG23 H 1 0.118 0.030 . 1 . . . . 15 THR HG2 . 11153 1 110 . 1 1 15 15 THR C C 13 177.224 0.300 . 1 . . . . 15 THR C . 11153 1 111 . 1 1 15 15 THR CA C 13 61.535 0.300 . 1 . . . . 15 THR CA . 11153 1 112 . 1 1 15 15 THR CB C 13 69.633 0.300 . 1 . . . . 15 THR CB . 11153 1 113 . 1 1 15 15 THR CG2 C 13 22.990 0.300 . 1 . . . . 15 THR CG2 . 11153 1 114 . 1 1 15 15 THR N N 15 118.242 0.300 . 1 . . . . 15 THR N . 11153 1 115 . 1 1 16 16 ILE H H 1 8.857 0.030 . 1 . . . . 16 ILE H . 11153 1 116 . 1 1 16 16 ILE HA H 1 4.355 0.030 . 1 . . . . 16 ILE HA . 11153 1 117 . 1 1 16 16 ILE HB H 1 1.504 0.030 . 1 . . . . 16 ILE HB . 11153 1 118 . 1 1 16 16 ILE HD11 H 1 0.448 0.030 . 1 . . . . 16 ILE HD1 . 11153 1 119 . 1 1 16 16 ILE HD12 H 1 0.448 0.030 . 1 . . . . 16 ILE HD1 . 11153 1 120 . 1 1 16 16 ILE HD13 H 1 0.448 0.030 . 1 . . . . 16 ILE HD1 . 11153 1 121 . 1 1 16 16 ILE HG12 H 1 0.448 0.030 . 2 . . . . 16 ILE HG12 . 11153 1 122 . 1 1 16 16 ILE HG13 H 1 0.327 0.030 . 2 . . . . 16 ILE HG13 . 11153 1 123 . 1 1 16 16 ILE HG21 H 1 0.388 0.030 . 1 . . . . 16 ILE HG2 . 11153 1 124 . 1 1 16 16 ILE HG22 H 1 0.388 0.030 . 1 . . . . 16 ILE HG2 . 11153 1 125 . 1 1 16 16 ILE HG23 H 1 0.388 0.030 . 1 . . . . 16 ILE HG2 . 11153 1 126 . 1 1 16 16 ILE C C 13 173.728 0.300 . 1 . . . . 16 ILE C . 11153 1 127 . 1 1 16 16 ILE CA C 13 61.288 0.300 . 1 . . . . 16 ILE CA . 11153 1 128 . 1 1 16 16 ILE CB C 13 38.977 0.300 . 1 . . . . 16 ILE CB . 11153 1 129 . 1 1 16 16 ILE CD1 C 13 13.829 0.300 . 1 . . . . 16 ILE CD1 . 11153 1 130 . 1 1 16 16 ILE CG1 C 13 26.078 0.300 . 1 . . . . 16 ILE CG1 . 11153 1 131 . 1 1 16 16 ILE CG2 C 13 17.560 0.300 . 1 . . . . 16 ILE CG2 . 11153 1 132 . 1 1 16 16 ILE N N 15 118.153 0.300 . 1 . . . . 16 ILE N . 11153 1 133 . 1 1 17 17 TYR H H 1 7.299 0.030 . 1 . . . . 17 TYR H . 11153 1 134 . 1 1 17 17 TYR HA H 1 4.939 0.030 . 1 . . . . 17 TYR HA . 11153 1 135 . 1 1 17 17 TYR HB2 H 1 2.222 0.030 . 2 . . . . 17 TYR HB2 . 11153 1 136 . 1 1 17 17 TYR HB3 H 1 3.157 0.030 . 2 . . . . 17 TYR HB3 . 11153 1 137 . 1 1 17 17 TYR HD1 H 1 6.631 0.030 . 1 . . . . 17 TYR HD1 . 11153 1 138 . 1 1 17 17 TYR HD2 H 1 6.631 0.030 . 1 . . . . 17 TYR HD2 . 11153 1 139 . 1 1 17 17 TYR HE1 H 1 6.653 0.030 . 1 . . . . 17 TYR HE1 . 11153 1 140 . 1 1 17 17 TYR HE2 H 1 6.653 0.030 . 1 . . . . 17 TYR HE2 . 11153 1 141 . 1 1 17 17 TYR C C 13 174.067 0.300 . 1 . . . . 17 TYR C . 11153 1 142 . 1 1 17 17 TYR CA C 13 54.871 0.300 . 1 . . . . 17 TYR CA . 11153 1 143 . 1 1 17 17 TYR CB C 13 43.437 0.300 . 1 . . . . 17 TYR CB . 11153 1 144 . 1 1 17 17 TYR CD1 C 13 133.453 0.300 . 1 . . . . 17 TYR CD1 . 11153 1 145 . 1 1 17 17 TYR CD2 C 13 133.453 0.300 . 1 . . . . 17 TYR CD2 . 11153 1 146 . 1 1 17 17 TYR CE1 C 13 117.589 0.300 . 1 . . . . 17 TYR CE1 . 11153 1 147 . 1 1 17 17 TYR CE2 C 13 117.589 0.300 . 1 . . . . 17 TYR CE2 . 11153 1 148 . 1 1 17 17 TYR N N 15 116.638 0.300 . 1 . . . . 17 TYR N . 11153 1 149 . 1 1 18 18 ASP H H 1 8.282 0.030 . 1 . . . . 18 ASP H . 11153 1 150 . 1 1 18 18 ASP HA H 1 4.689 0.030 . 1 . . . . 18 ASP HA . 11153 1 151 . 1 1 18 18 ASP HB2 H 1 2.633 0.030 . 2 . . . . 18 ASP HB2 . 11153 1 152 . 1 1 18 18 ASP HB3 H 1 2.813 0.030 . 2 . . . . 18 ASP HB3 . 11153 1 153 . 1 1 18 18 ASP C C 13 175.815 0.300 . 1 . . . . 18 ASP C . 11153 1 154 . 1 1 18 18 ASP CA C 13 54.272 0.300 . 1 . . . . 18 ASP CA . 11153 1 155 . 1 1 18 18 ASP CB C 13 41.661 0.300 . 1 . . . . 18 ASP CB . 11153 1 156 . 1 1 18 18 ASP N N 15 117.563 0.300 . 1 . . . . 18 ASP N . 11153 1 157 . 1 1 19 19 CYS H H 1 8.460 0.030 . 1 . . . . 19 CYS H . 11153 1 158 . 1 1 19 19 CYS HA H 1 4.334 0.030 . 1 . . . . 19 CYS HA . 11153 1 159 . 1 1 19 19 CYS HB2 H 1 1.045 0.030 . 2 . . . . 19 CYS HB2 . 11153 1 160 . 1 1 19 19 CYS HB3 H 1 2.023 0.030 . 2 . . . . 19 CYS HB3 . 11153 1 161 . 1 1 19 19 CYS C C 13 172.514 0.300 . 1 . . . . 19 CYS C . 11153 1 162 . 1 1 19 19 CYS CA C 13 58.640 0.300 . 1 . . . . 19 CYS CA . 11153 1 163 . 1 1 19 19 CYS CB C 13 29.048 0.300 . 1 . . . . 19 CYS CB . 11153 1 164 . 1 1 19 19 CYS N N 15 120.526 0.300 . 1 . . . . 19 CYS N . 11153 1 165 . 1 1 20 20 GLN H H 1 8.655 0.030 . 1 . . . . 20 GLN H . 11153 1 166 . 1 1 20 20 GLN HA H 1 4.560 0.030 . 1 . . . . 20 GLN HA . 11153 1 167 . 1 1 20 20 GLN HB2 H 1 2.032 0.030 . 2 . . . . 20 GLN HB2 . 11153 1 168 . 1 1 20 20 GLN HB3 H 1 1.969 0.030 . 2 . . . . 20 GLN HB3 . 11153 1 169 . 1 1 20 20 GLN HE21 H 1 6.813 0.030 . 2 . . . . 20 GLN HE21 . 11153 1 170 . 1 1 20 20 GLN HE22 H 1 7.626 0.030 . 2 . . . . 20 GLN HE22 . 11153 1 171 . 1 1 20 20 GLN HG2 H 1 2.333 0.030 . 2 . . . . 20 GLN HG2 . 11153 1 172 . 1 1 20 20 GLN HG3 H 1 2.299 0.030 . 2 . . . . 20 GLN HG3 . 11153 1 173 . 1 1 20 20 GLN C C 13 174.747 0.300 . 1 . . . . 20 GLN C . 11153 1 174 . 1 1 20 20 GLN CA C 13 54.303 0.300 . 1 . . . . 20 GLN CA . 11153 1 175 . 1 1 20 20 GLN CB C 13 29.079 0.300 . 1 . . . . 20 GLN CB . 11153 1 176 . 1 1 20 20 GLN CG C 13 33.753 0.300 . 1 . . . . 20 GLN CG . 11153 1 177 . 1 1 20 20 GLN N N 15 128.669 0.300 . 1 . . . . 20 GLN N . 11153 1 178 . 1 1 20 20 GLN NE2 N 15 113.032 0.300 . 1 . . . . 20 GLN NE2 . 11153 1 179 . 1 1 21 21 ALA H H 1 8.040 0.030 . 1 . . . . 21 ALA H . 11153 1 180 . 1 1 21 21 ALA HA H 1 4.289 0.030 . 1 . . . . 21 ALA HA . 11153 1 181 . 1 1 21 21 ALA HB1 H 1 1.384 0.030 . 1 . . . . 21 ALA HB . 11153 1 182 . 1 1 21 21 ALA HB2 H 1 1.384 0.030 . 1 . . . . 21 ALA HB . 11153 1 183 . 1 1 21 21 ALA HB3 H 1 1.384 0.030 . 1 . . . . 21 ALA HB . 11153 1 184 . 1 1 21 21 ALA C C 13 177.685 0.300 . 1 . . . . 21 ALA C . 11153 1 185 . 1 1 21 21 ALA CA C 13 52.686 0.300 . 1 . . . . 21 ALA CA . 11153 1 186 . 1 1 21 21 ALA CB C 13 21.277 0.300 . 1 . . . . 21 ALA CB . 11153 1 187 . 1 1 21 21 ALA N N 15 128.479 0.300 . 1 . . . . 21 ALA N . 11153 1 188 . 1 1 22 22 ASP H H 1 8.795 0.030 . 1 . . . . 22 ASP H . 11153 1 189 . 1 1 22 22 ASP HA H 1 4.738 0.030 . 1 . . . . 22 ASP HA . 11153 1 190 . 1 1 22 22 ASP HB2 H 1 2.696 0.030 . 1 . . . . 22 ASP HB2 . 11153 1 191 . 1 1 22 22 ASP HB3 H 1 2.696 0.030 . 1 . . . . 22 ASP HB3 . 11153 1 192 . 1 1 22 22 ASP C C 13 175.548 0.300 . 1 . . . . 22 ASP C . 11153 1 193 . 1 1 22 22 ASP CA C 13 54.484 0.300 . 1 . . . . 22 ASP CA . 11153 1 194 . 1 1 22 22 ASP CB C 13 42.372 0.300 . 1 . . . . 22 ASP CB . 11153 1 195 . 1 1 22 22 ASP N N 15 120.631 0.300 . 1 . . . . 22 ASP N . 11153 1 196 . 1 1 23 23 ASN H H 1 7.472 0.030 . 1 . . . . 23 ASN H . 11153 1 197 . 1 1 23 23 ASN HA H 1 4.838 0.030 . 1 . . . . 23 ASN HA . 11153 1 198 . 1 1 23 23 ASN HB2 H 1 2.773 0.030 . 2 . . . . 23 ASN HB2 . 11153 1 199 . 1 1 23 23 ASN HB3 H 1 2.662 0.030 . 2 . . . . 23 ASN HB3 . 11153 1 200 . 1 1 23 23 ASN HD21 H 1 7.715 0.030 . 2 . . . . 23 ASN HD21 . 11153 1 201 . 1 1 23 23 ASN HD22 H 1 6.857 0.030 . 2 . . . . 23 ASN HD22 . 11153 1 202 . 1 1 23 23 ASN C C 13 175.791 0.300 . 1 . . . . 23 ASN C . 11153 1 203 . 1 1 23 23 ASN CA C 13 52.157 0.300 . 1 . . . . 23 ASN CA . 11153 1 204 . 1 1 23 23 ASN CB C 13 41.301 0.300 . 1 . . . . 23 ASN CB . 11153 1 205 . 1 1 23 23 ASN N N 15 115.130 0.300 . 1 . . . . 23 ASN N . 11153 1 206 . 1 1 23 23 ASN ND2 N 15 115.364 0.300 . 1 . . . . 23 ASN ND2 . 11153 1 207 . 1 1 24 24 ASP H H 1 8.667 0.030 . 1 . . . . 24 ASP H . 11153 1 208 . 1 1 24 24 ASP HA H 1 4.495 0.030 . 1 . . . . 24 ASP HA . 11153 1 209 . 1 1 24 24 ASP HB2 H 1 2.795 0.030 . 2 . . . . 24 ASP HB2 . 11153 1 210 . 1 1 24 24 ASP HB3 H 1 2.671 0.030 . 2 . . . . 24 ASP HB3 . 11153 1 211 . 1 1 24 24 ASP C C 13 176.374 0.300 . 1 . . . . 24 ASP C . 11153 1 212 . 1 1 24 24 ASP CA C 13 56.670 0.300 . 1 . . . . 24 ASP CA . 11153 1 213 . 1 1 24 24 ASP CB C 13 40.907 0.300 . 1 . . . . 24 ASP CB . 11153 1 214 . 1 1 24 24 ASP N N 15 119.812 0.300 . 1 . . . . 24 ASP N . 11153 1 215 . 1 1 25 25 ASP H H 1 8.490 0.030 . 1 . . . . 25 ASP H . 11153 1 216 . 1 1 25 25 ASP HA H 1 4.694 0.030 . 1 . . . . 25 ASP HA . 11153 1 217 . 1 1 25 25 ASP HB2 H 1 2.760 0.030 . 2 . . . . 25 ASP HB2 . 11153 1 218 . 1 1 25 25 ASP HB3 H 1 2.693 0.030 . 2 . . . . 25 ASP HB3 . 11153 1 219 . 1 1 25 25 ASP C C 13 176.617 0.300 . 1 . . . . 25 ASP C . 11153 1 220 . 1 1 25 25 ASP CA C 13 54.730 0.300 . 1 . . . . 25 ASP CA . 11153 1 221 . 1 1 25 25 ASP CB C 13 40.677 0.300 . 1 . . . . 25 ASP CB . 11153 1 222 . 1 1 25 25 ASP N N 15 116.968 0.300 . 1 . . . . 25 ASP N . 11153 1 223 . 1 1 26 26 GLU H H 1 7.601 0.030 . 1 . . . . 26 GLU H . 11153 1 224 . 1 1 26 26 GLU HA H 1 4.743 0.030 . 1 . . . . 26 GLU HA . 11153 1 225 . 1 1 26 26 GLU HB2 H 1 2.211 0.030 . 2 . . . . 26 GLU HB2 . 11153 1 226 . 1 1 26 26 GLU HB3 H 1 2.092 0.030 . 2 . . . . 26 GLU HB3 . 11153 1 227 . 1 1 26 26 GLU HG2 H 1 2.204 0.030 . 2 . . . . 26 GLU HG2 . 11153 1 228 . 1 1 26 26 GLU HG3 H 1 2.105 0.030 . 2 . . . . 26 GLU HG3 . 11153 1 229 . 1 1 26 26 GLU C C 13 175.014 0.300 . 1 . . . . 26 GLU C . 11153 1 230 . 1 1 26 26 GLU CA C 13 55.154 0.300 . 1 . . . . 26 GLU CA . 11153 1 231 . 1 1 26 26 GLU CB C 13 31.588 0.300 . 1 . . . . 26 GLU CB . 11153 1 232 . 1 1 26 26 GLU CG C 13 36.572 0.300 . 1 . . . . 26 GLU CG . 11153 1 233 . 1 1 26 26 GLU N N 15 120.141 0.300 . 1 . . . . 26 GLU N . 11153 1 234 . 1 1 27 27 LEU H H 1 8.580 0.030 . 1 . . . . 27 LEU H . 11153 1 235 . 1 1 27 27 LEU HA H 1 4.394 0.030 . 1 . . . . 27 LEU HA . 11153 1 236 . 1 1 27 27 LEU HB2 H 1 1.165 0.030 . 2 . . . . 27 LEU HB2 . 11153 1 237 . 1 1 27 27 LEU HB3 H 1 1.879 0.030 . 2 . . . . 27 LEU HB3 . 11153 1 238 . 1 1 27 27 LEU HD11 H 1 0.707 0.030 . 1 . . . . 27 LEU HD1 . 11153 1 239 . 1 1 27 27 LEU HD12 H 1 0.707 0.030 . 1 . . . . 27 LEU HD1 . 11153 1 240 . 1 1 27 27 LEU HD13 H 1 0.707 0.030 . 1 . . . . 27 LEU HD1 . 11153 1 241 . 1 1 27 27 LEU HD21 H 1 0.896 0.030 . 1 . . . . 27 LEU HD2 . 11153 1 242 . 1 1 27 27 LEU HD22 H 1 0.896 0.030 . 1 . . . . 27 LEU HD2 . 11153 1 243 . 1 1 27 27 LEU HD23 H 1 0.896 0.030 . 1 . . . . 27 LEU HD2 . 11153 1 244 . 1 1 27 27 LEU HG H 1 1.650 0.030 . 1 . . . . 27 LEU HG . 11153 1 245 . 1 1 27 27 LEU C C 13 175.427 0.300 . 1 . . . . 27 LEU C . 11153 1 246 . 1 1 27 27 LEU CA C 13 54.871 0.300 . 1 . . . . 27 LEU CA . 11153 1 247 . 1 1 27 27 LEU CB C 13 45.009 0.300 . 1 . . . . 27 LEU CB . 11153 1 248 . 1 1 27 27 LEU CD1 C 13 25.714 0.300 . 2 . . . . 27 LEU CD1 . 11153 1 249 . 1 1 27 27 LEU CD2 C 13 23.597 0.300 . 2 . . . . 27 LEU CD2 . 11153 1 250 . 1 1 27 27 LEU CG C 13 27.218 0.300 . 1 . . . . 27 LEU CG . 11153 1 251 . 1 1 27 27 LEU N N 15 123.673 0.300 . 1 . . . . 27 LEU N . 11153 1 252 . 1 1 28 28 THR H H 1 7.958 0.030 . 1 . . . . 28 THR H . 11153 1 253 . 1 1 28 28 THR HA H 1 4.763 0.030 . 1 . . . . 28 THR HA . 11153 1 254 . 1 1 28 28 THR HB H 1 4.123 0.030 . 1 . . . . 28 THR HB . 11153 1 255 . 1 1 28 28 THR HG21 H 1 1.397 0.030 . 1 . . . . 28 THR HG2 . 11153 1 256 . 1 1 28 28 THR HG22 H 1 1.397 0.030 . 1 . . . . 28 THR HG2 . 11153 1 257 . 1 1 28 28 THR HG23 H 1 1.397 0.030 . 1 . . . . 28 THR HG2 . 11153 1 258 . 1 1 28 28 THR C C 13 174.699 0.300 . 1 . . . . 28 THR C . 11153 1 259 . 1 1 28 28 THR CA C 13 61.782 0.300 . 1 . . . . 28 THR CA . 11153 1 260 . 1 1 28 28 THR CB C 13 70.544 0.300 . 1 . . . . 28 THR CB . 11153 1 261 . 1 1 28 28 THR CG2 C 13 22.256 0.300 . 1 . . . . 28 THR CG2 . 11153 1 262 . 1 1 28 28 THR N N 15 121.977 0.300 . 1 . . . . 28 THR N . 11153 1 263 . 1 1 29 29 PHE H H 1 8.590 0.030 . 1 . . . . 29 PHE H . 11153 1 264 . 1 1 29 29 PHE HA H 1 4.776 0.030 . 1 . . . . 29 PHE HA . 11153 1 265 . 1 1 29 29 PHE HB2 H 1 2.953 0.030 . 2 . . . . 29 PHE HB2 . 11153 1 266 . 1 1 29 29 PHE HB3 H 1 3.501 0.030 . 2 . . . . 29 PHE HB3 . 11153 1 267 . 1 1 29 29 PHE HD1 H 1 6.913 0.030 . 1 . . . . 29 PHE HD1 . 11153 1 268 . 1 1 29 29 PHE HD2 H 1 6.913 0.030 . 1 . . . . 29 PHE HD2 . 11153 1 269 . 1 1 29 29 PHE HE1 H 1 7.605 0.030 . 1 . . . . 29 PHE HE1 . 11153 1 270 . 1 1 29 29 PHE HE2 H 1 7.605 0.030 . 1 . . . . 29 PHE HE2 . 11153 1 271 . 1 1 29 29 PHE HZ H 1 7.152 0.030 . 1 . . . . 29 PHE HZ . 11153 1 272 . 1 1 29 29 PHE C C 13 174.796 0.300 . 1 . . . . 29 PHE C . 11153 1 273 . 1 1 29 29 PHE CA C 13 55.929 0.300 . 1 . . . . 29 PHE CA . 11153 1 274 . 1 1 29 29 PHE CB C 13 40.339 0.300 . 1 . . . . 29 PHE CB . 11153 1 275 . 1 1 29 29 PHE CD1 C 13 133.442 0.300 . 1 . . . . 29 PHE CD1 . 11153 1 276 . 1 1 29 29 PHE CD2 C 13 133.442 0.300 . 1 . . . . 29 PHE CD2 . 11153 1 277 . 1 1 29 29 PHE CE1 C 13 131.687 0.300 . 1 . . . . 29 PHE CE1 . 11153 1 278 . 1 1 29 29 PHE CE2 C 13 131.687 0.300 . 1 . . . . 29 PHE CE2 . 11153 1 279 . 1 1 29 29 PHE CZ C 13 128.711 0.300 . 1 . . . . 29 PHE CZ . 11153 1 280 . 1 1 29 29 PHE N N 15 121.205 0.300 . 1 . . . . 29 PHE N . 11153 1 281 . 1 1 30 30 ILE H H 1 9.459 0.030 . 1 . . . . 30 ILE H . 11153 1 282 . 1 1 30 30 ILE HA H 1 5.114 0.030 . 1 . . . . 30 ILE HA . 11153 1 283 . 1 1 30 30 ILE HB H 1 2.102 0.030 . 1 . . . . 30 ILE HB . 11153 1 284 . 1 1 30 30 ILE HD11 H 1 0.896 0.030 . 1 . . . . 30 ILE HD1 . 11153 1 285 . 1 1 30 30 ILE HD12 H 1 0.896 0.030 . 1 . . . . 30 ILE HD1 . 11153 1 286 . 1 1 30 30 ILE HD13 H 1 0.896 0.030 . 1 . . . . 30 ILE HD1 . 11153 1 287 . 1 1 30 30 ILE HG12 H 1 1.061 0.030 . 2 . . . . 30 ILE HG12 . 11153 1 288 . 1 1 30 30 ILE HG13 H 1 1.363 0.030 . 2 . . . . 30 ILE HG13 . 11153 1 289 . 1 1 30 30 ILE HG21 H 1 0.936 0.030 . 1 . . . . 30 ILE HG2 . 11153 1 290 . 1 1 30 30 ILE HG22 H 1 0.936 0.030 . 1 . . . . 30 ILE HG2 . 11153 1 291 . 1 1 30 30 ILE HG23 H 1 0.936 0.030 . 1 . . . . 30 ILE HG2 . 11153 1 292 . 1 1 30 30 ILE C C 13 176.981 0.300 . 1 . . . . 30 ILE C . 11153 1 293 . 1 1 30 30 ILE CA C 13 59.561 0.300 . 1 . . . . 30 ILE CA . 11153 1 294 . 1 1 30 30 ILE CB C 13 41.783 0.300 . 1 . . . . 30 ILE CB . 11153 1 295 . 1 1 30 30 ILE CD1 C 13 14.041 0.300 . 1 . . . . 30 ILE CD1 . 11153 1 296 . 1 1 30 30 ILE CG1 C 13 25.303 0.300 . 1 . . . . 30 ILE CG1 . 11153 1 297 . 1 1 30 30 ILE CG2 C 13 17.850 0.300 . 1 . . . . 30 ILE CG2 . 11153 1 298 . 1 1 30 30 ILE N N 15 116.618 0.300 . 1 . . . . 30 ILE N . 11153 1 299 . 1 1 31 31 GLU H H 1 8.933 0.030 . 1 . . . . 31 GLU H . 11153 1 300 . 1 1 31 31 GLU HA H 1 3.512 0.030 . 1 . . . . 31 GLU HA . 11153 1 301 . 1 1 31 31 GLU HB2 H 1 1.866 0.030 . 2 . . . . 31 GLU HB2 . 11153 1 302 . 1 1 31 31 GLU HB3 H 1 1.697 0.030 . 2 . . . . 31 GLU HB3 . 11153 1 303 . 1 1 31 31 GLU HG2 H 1 2.070 0.030 . 2 . . . . 31 GLU HG2 . 11153 1 304 . 1 1 31 31 GLU HG3 H 1 1.938 0.030 . 2 . . . . 31 GLU HG3 . 11153 1 305 . 1 1 31 31 GLU C C 13 176.107 0.300 . 1 . . . . 31 GLU C . 11153 1 306 . 1 1 31 31 GLU CA C 13 58.276 0.300 . 1 . . . . 31 GLU CA . 11153 1 307 . 1 1 31 31 GLU CB C 13 29.682 0.300 . 1 . . . . 31 GLU CB . 11153 1 308 . 1 1 31 31 GLU CG C 13 35.416 0.300 . 1 . . . . 31 GLU CG . 11153 1 309 . 1 1 31 31 GLU N N 15 123.647 0.300 . 1 . . . . 31 GLU N . 11153 1 310 . 1 1 32 32 GLY H H 1 8.302 0.030 . 1 . . . . 32 GLY H . 11153 1 311 . 1 1 32 32 GLY HA2 H 1 3.495 0.030 . 2 . . . . 32 GLY HA2 . 11153 1 312 . 1 1 32 32 GLY HA3 H 1 4.229 0.030 . 2 . . . . 32 GLY HA3 . 11153 1 313 . 1 1 32 32 GLY C C 13 174.553 0.300 . 1 . . . . 32 GLY C . 11153 1 314 . 1 1 32 32 GLY CA C 13 45.634 0.300 . 1 . . . . 32 GLY CA . 11153 1 315 . 1 1 32 32 GLY N N 15 114.884 0.300 . 1 . . . . 32 GLY N . 11153 1 316 . 1 1 33 33 GLU H H 1 7.900 0.030 . 1 . . . . 33 GLU H . 11153 1 317 . 1 1 33 33 GLU HA H 1 4.458 0.030 . 1 . . . . 33 GLU HA . 11153 1 318 . 1 1 33 33 GLU HB2 H 1 2.026 0.030 . 2 . . . . 33 GLU HB2 . 11153 1 319 . 1 1 33 33 GLU HB3 H 1 1.915 0.030 . 2 . . . . 33 GLU HB3 . 11153 1 320 . 1 1 33 33 GLU HG2 H 1 2.662 0.030 . 2 . . . . 33 GLU HG2 . 11153 1 321 . 1 1 33 33 GLU HG3 H 1 1.912 0.030 . 2 . . . . 33 GLU HG3 . 11153 1 322 . 1 1 33 33 GLU C C 13 173.995 0.300 . 1 . . . . 33 GLU C . 11153 1 323 . 1 1 33 33 GLU CA C 13 57.484 0.300 . 1 . . . . 33 GLU CA . 11153 1 324 . 1 1 33 33 GLU CB C 13 31.660 0.300 . 1 . . . . 33 GLU CB . 11153 1 325 . 1 1 33 33 GLU CG C 13 39.054 0.300 . 1 . . . . 33 GLU CG . 11153 1 326 . 1 1 33 33 GLU N N 15 120.362 0.300 . 1 . . . . 33 GLU N . 11153 1 327 . 1 1 34 34 VAL H H 1 8.456 0.030 . 1 . . . . 34 VAL H . 11153 1 328 . 1 1 34 34 VAL HA H 1 4.883 0.030 . 1 . . . . 34 VAL HA . 11153 1 329 . 1 1 34 34 VAL HB H 1 1.955 0.030 . 1 . . . . 34 VAL HB . 11153 1 330 . 1 1 34 34 VAL HG11 H 1 0.814 0.030 . 1 . . . . 34 VAL HG1 . 11153 1 331 . 1 1 34 34 VAL HG12 H 1 0.814 0.030 . 1 . . . . 34 VAL HG1 . 11153 1 332 . 1 1 34 34 VAL HG13 H 1 0.814 0.030 . 1 . . . . 34 VAL HG1 . 11153 1 333 . 1 1 34 34 VAL HG21 H 1 0.888 0.030 . 1 . . . . 34 VAL HG2 . 11153 1 334 . 1 1 34 34 VAL HG22 H 1 0.888 0.030 . 1 . . . . 34 VAL HG2 . 11153 1 335 . 1 1 34 34 VAL HG23 H 1 0.888 0.030 . 1 . . . . 34 VAL HG2 . 11153 1 336 . 1 1 34 34 VAL C C 13 175.063 0.300 . 1 . . . . 34 VAL C . 11153 1 337 . 1 1 34 34 VAL CA C 13 61.394 0.300 . 1 . . . . 34 VAL CA . 11153 1 338 . 1 1 34 34 VAL CB C 13 32.999 0.300 . 1 . . . . 34 VAL CB . 11153 1 339 . 1 1 34 34 VAL CG1 C 13 21.560 0.300 . 2 . . . . 34 VAL CG1 . 11153 1 340 . 1 1 34 34 VAL CG2 C 13 21.755 0.300 . 2 . . . . 34 VAL CG2 . 11153 1 341 . 1 1 34 34 VAL N N 15 121.154 0.300 . 1 . . . . 34 VAL N . 11153 1 342 . 1 1 35 35 ILE H H 1 8.875 0.030 . 1 . . . . 35 ILE H . 11153 1 343 . 1 1 35 35 ILE HA H 1 4.275 0.030 . 1 . . . . 35 ILE HA . 11153 1 344 . 1 1 35 35 ILE HB H 1 0.951 0.030 . 1 . . . . 35 ILE HB . 11153 1 345 . 1 1 35 35 ILE HD11 H 1 -0.825 0.030 . 1 . . . . 35 ILE HD1 . 11153 1 346 . 1 1 35 35 ILE HD12 H 1 -0.825 0.030 . 1 . . . . 35 ILE HD1 . 11153 1 347 . 1 1 35 35 ILE HD13 H 1 -0.825 0.030 . 1 . . . . 35 ILE HD1 . 11153 1 348 . 1 1 35 35 ILE HG12 H 1 0.036 0.030 . 2 . . . . 35 ILE HG12 . 11153 1 349 . 1 1 35 35 ILE HG13 H 1 0.877 0.030 . 2 . . . . 35 ILE HG13 . 11153 1 350 . 1 1 35 35 ILE HG21 H 1 0.246 0.030 . 1 . . . . 35 ILE HG2 . 11153 1 351 . 1 1 35 35 ILE HG22 H 1 0.246 0.030 . 1 . . . . 35 ILE HG2 . 11153 1 352 . 1 1 35 35 ILE HG23 H 1 0.246 0.030 . 1 . . . . 35 ILE HG2 . 11153 1 353 . 1 1 35 35 ILE C C 13 175.039 0.300 . 1 . . . . 35 ILE C . 11153 1 354 . 1 1 35 35 ILE CA C 13 59.279 0.300 . 1 . . . . 35 ILE CA . 11153 1 355 . 1 1 35 35 ILE CB C 13 41.080 0.300 . 1 . . . . 35 ILE CB . 11153 1 356 . 1 1 35 35 ILE CD1 C 13 13.293 0.300 . 1 . . . . 35 ILE CD1 . 11153 1 357 . 1 1 35 35 ILE CG1 C 13 28.083 0.300 . 1 . . . . 35 ILE CG1 . 11153 1 358 . 1 1 35 35 ILE CG2 C 13 17.372 0.300 . 1 . . . . 35 ILE CG2 . 11153 1 359 . 1 1 35 35 ILE N N 15 127.723 0.300 . 1 . . . . 35 ILE N . 11153 1 360 . 1 1 36 36 ILE H H 1 8.967 0.030 . 1 . . . . 36 ILE H . 11153 1 361 . 1 1 36 36 ILE HA H 1 4.345 0.030 . 1 . . . . 36 ILE HA . 11153 1 362 . 1 1 36 36 ILE HB H 1 0.968 0.030 . 1 . . . . 36 ILE HB . 11153 1 363 . 1 1 36 36 ILE HD11 H 1 0.813 0.030 . 1 . . . . 36 ILE HD1 . 11153 1 364 . 1 1 36 36 ILE HD12 H 1 0.813 0.030 . 1 . . . . 36 ILE HD1 . 11153 1 365 . 1 1 36 36 ILE HD13 H 1 0.813 0.030 . 1 . . . . 36 ILE HD1 . 11153 1 366 . 1 1 36 36 ILE HG12 H 1 1.124 0.030 . 2 . . . . 36 ILE HG12 . 11153 1 367 . 1 1 36 36 ILE HG13 H 1 1.368 0.030 . 2 . . . . 36 ILE HG13 . 11153 1 368 . 1 1 36 36 ILE HG21 H 1 0.714 0.030 . 1 . . . . 36 ILE HG2 . 11153 1 369 . 1 1 36 36 ILE HG22 H 1 0.714 0.030 . 1 . . . . 36 ILE HG2 . 11153 1 370 . 1 1 36 36 ILE HG23 H 1 0.714 0.030 . 1 . . . . 36 ILE HG2 . 11153 1 371 . 1 1 36 36 ILE C C 13 175.208 0.300 . 1 . . . . 36 ILE C . 11153 1 372 . 1 1 36 36 ILE CA C 13 58.465 0.300 . 1 . . . . 36 ILE CA . 11153 1 373 . 1 1 36 36 ILE CB C 13 36.136 0.300 . 1 . . . . 36 ILE CB . 11153 1 374 . 1 1 36 36 ILE CD1 C 13 11.406 0.300 . 1 . . . . 36 ILE CD1 . 11153 1 375 . 1 1 36 36 ILE CG1 C 13 26.931 0.300 . 1 . . . . 36 ILE CG1 . 11153 1 376 . 1 1 36 36 ILE CG2 C 13 16.949 0.300 . 1 . . . . 36 ILE CG2 . 11153 1 377 . 1 1 36 36 ILE N N 15 126.606 0.300 . 1 . . . . 36 ILE N . 11153 1 378 . 1 1 37 37 VAL H H 1 8.570 0.030 . 1 . . . . 37 VAL H . 11153 1 379 . 1 1 37 37 VAL HA H 1 4.363 0.030 . 1 . . . . 37 VAL HA . 11153 1 380 . 1 1 37 37 VAL HB H 1 2.010 0.030 . 1 . . . . 37 VAL HB . 11153 1 381 . 1 1 37 37 VAL HG11 H 1 0.996 0.030 . 1 . . . . 37 VAL HG1 . 11153 1 382 . 1 1 37 37 VAL HG12 H 1 0.996 0.030 . 1 . . . . 37 VAL HG1 . 11153 1 383 . 1 1 37 37 VAL HG13 H 1 0.996 0.030 . 1 . . . . 37 VAL HG1 . 11153 1 384 . 1 1 37 37 VAL HG21 H 1 1.245 0.030 . 1 . . . . 37 VAL HG2 . 11153 1 385 . 1 1 37 37 VAL HG22 H 1 1.245 0.030 . 1 . . . . 37 VAL HG2 . 11153 1 386 . 1 1 37 37 VAL HG23 H 1 1.245 0.030 . 1 . . . . 37 VAL HG2 . 11153 1 387 . 1 1 37 37 VAL C C 13 177.224 0.300 . 1 . . . . 37 VAL C . 11153 1 388 . 1 1 37 37 VAL CA C 13 63.651 0.300 . 1 . . . . 37 VAL CA . 11153 1 389 . 1 1 37 37 VAL CB C 13 32.319 0.300 . 1 . . . . 37 VAL CB . 11153 1 390 . 1 1 37 37 VAL CG1 C 13 21.989 0.300 . 2 . . . . 37 VAL CG1 . 11153 1 391 . 1 1 37 37 VAL CG2 C 13 24.047 0.300 . 2 . . . . 37 VAL CG2 . 11153 1 392 . 1 1 37 37 VAL N N 15 127.535 0.300 . 1 . . . . 37 VAL N . 11153 1 393 . 1 1 38 38 THR H H 1 9.638 0.030 . 1 . . . . 38 THR H . 11153 1 394 . 1 1 38 38 THR HA H 1 4.627 0.030 . 1 . . . . 38 THR HA . 11153 1 395 . 1 1 38 38 THR HB H 1 4.510 0.030 . 1 . . . . 38 THR HB . 11153 1 396 . 1 1 38 38 THR HG21 H 1 1.331 0.030 . 1 . . . . 38 THR HG2 . 11153 1 397 . 1 1 38 38 THR HG22 H 1 1.331 0.030 . 1 . . . . 38 THR HG2 . 11153 1 398 . 1 1 38 38 THR HG23 H 1 1.331 0.030 . 1 . . . . 38 THR HG2 . 11153 1 399 . 1 1 38 38 THR C C 13 175.014 0.300 . 1 . . . . 38 THR C . 11153 1 400 . 1 1 38 38 THR CA C 13 61.611 0.300 . 1 . . . . 38 THR CA . 11153 1 401 . 1 1 38 38 THR CB C 13 69.448 0.300 . 1 . . . . 38 THR CB . 11153 1 402 . 1 1 38 38 THR CG2 C 13 21.575 0.300 . 1 . . . . 38 THR CG2 . 11153 1 403 . 1 1 38 38 THR N N 15 119.868 0.300 . 1 . . . . 38 THR N . 11153 1 404 . 1 1 39 39 GLY H H 1 8.024 0.030 . 1 . . . . 39 GLY H . 11153 1 405 . 1 1 39 39 GLY HA2 H 1 3.921 0.030 . 2 . . . . 39 GLY HA2 . 11153 1 406 . 1 1 39 39 GLY HA3 H 1 4.141 0.030 . 2 . . . . 39 GLY HA3 . 11153 1 407 . 1 1 39 39 GLY C C 13 170.499 0.300 . 1 . . . . 39 GLY C . 11153 1 408 . 1 1 39 39 GLY CA C 13 45.753 0.300 . 1 . . . . 39 GLY CA . 11153 1 409 . 1 1 39 39 GLY N N 15 110.866 0.300 . 1 . . . . 39 GLY N . 11153 1 410 . 1 1 40 40 GLU H H 1 8.401 0.030 . 1 . . . . 40 GLU H . 11153 1 411 . 1 1 40 40 GLU HA H 1 4.638 0.030 . 1 . . . . 40 GLU HA . 11153 1 412 . 1 1 40 40 GLU HB2 H 1 1.793 0.030 . 2 . . . . 40 GLU HB2 . 11153 1 413 . 1 1 40 40 GLU HB3 H 1 1.667 0.030 . 2 . . . . 40 GLU HB3 . 11153 1 414 . 1 1 40 40 GLU HG2 H 1 1.584 0.030 . 2 . . . . 40 GLU HG2 . 11153 1 415 . 1 1 40 40 GLU HG3 H 1 1.049 0.030 . 2 . . . . 40 GLU HG3 . 11153 1 416 . 1 1 40 40 GLU C C 13 175.670 0.300 . 1 . . . . 40 GLU C . 11153 1 417 . 1 1 40 40 GLU CA C 13 55.259 0.300 . 1 . . . . 40 GLU CA . 11153 1 418 . 1 1 40 40 GLU CB C 13 31.822 0.300 . 1 . . . . 40 GLU CB . 11153 1 419 . 1 1 40 40 GLU CG C 13 34.512 0.300 . 1 . . . . 40 GLU CG . 11153 1 420 . 1 1 40 40 GLU N N 15 118.022 0.300 . 1 . . . . 40 GLU N . 11153 1 421 . 1 1 41 41 GLU H H 1 8.686 0.030 . 1 . . . . 41 GLU H . 11153 1 422 . 1 1 41 41 GLU HA H 1 4.432 0.030 . 1 . . . . 41 GLU HA . 11153 1 423 . 1 1 41 41 GLU HB2 H 1 2.101 0.030 . 2 . . . . 41 GLU HB2 . 11153 1 424 . 1 1 41 41 GLU HB3 H 1 2.005 0.030 . 2 . . . . 41 GLU HB3 . 11153 1 425 . 1 1 41 41 GLU HG2 H 1 2.164 0.030 . 2 . . . . 41 GLU HG2 . 11153 1 426 . 1 1 41 41 GLU HG3 H 1 2.111 0.030 . 2 . . . . 41 GLU HG3 . 11153 1 427 . 1 1 41 41 GLU C C 13 176.495 0.300 . 1 . . . . 41 GLU C . 11153 1 428 . 1 1 41 41 GLU CA C 13 58.455 0.300 . 1 . . . . 41 GLU CA . 11153 1 429 . 1 1 41 41 GLU CB C 13 30.284 0.300 . 1 . . . . 41 GLU CB . 11153 1 430 . 1 1 41 41 GLU CG C 13 35.863 0.300 . 1 . . . . 41 GLU CG . 11153 1 431 . 1 1 41 41 GLU N N 15 124.588 0.300 . 1 . . . . 41 GLU N . 11153 1 432 . 1 1 42 42 ASP H H 1 8.720 0.030 . 1 . . . . 42 ASP H . 11153 1 433 . 1 1 42 42 ASP HA H 1 4.620 0.030 . 1 . . . . 42 ASP HA . 11153 1 434 . 1 1 42 42 ASP HB2 H 1 3.228 0.030 . 2 . . . . 42 ASP HB2 . 11153 1 435 . 1 1 42 42 ASP HB3 H 1 3.151 0.030 . 2 . . . . 42 ASP HB3 . 11153 1 436 . 1 1 42 42 ASP C C 13 175.184 0.300 . 1 . . . . 42 ASP C . 11153 1 437 . 1 1 42 42 ASP CA C 13 53.814 0.300 . 1 . . . . 42 ASP CA . 11153 1 438 . 1 1 42 42 ASP CB C 13 40.971 0.300 . 1 . . . . 42 ASP CB . 11153 1 439 . 1 1 42 42 ASP N N 15 118.594 0.300 . 1 . . . . 42 ASP N . 11153 1 440 . 1 1 43 43 GLN H H 1 8.243 0.030 . 1 . . . . 43 GLN H . 11153 1 441 . 1 1 43 43 GLN HA H 1 4.430 0.030 . 1 . . . . 43 GLN HA . 11153 1 442 . 1 1 43 43 GLN HB2 H 1 2.226 0.030 . 2 . . . . 43 GLN HB2 . 11153 1 443 . 1 1 43 43 GLN HB3 H 1 2.155 0.030 . 2 . . . . 43 GLN HB3 . 11153 1 444 . 1 1 43 43 GLN HE21 H 1 7.713 0.030 . 2 . . . . 43 GLN HE21 . 11153 1 445 . 1 1 43 43 GLN HE22 H 1 6.941 0.030 . 2 . . . . 43 GLN HE22 . 11153 1 446 . 1 1 43 43 GLN HG2 H 1 2.520 0.030 . 1 . . . . 43 GLN HG2 . 11153 1 447 . 1 1 43 43 GLN HG3 H 1 2.520 0.030 . 1 . . . . 43 GLN HG3 . 11153 1 448 . 1 1 43 43 GLN C C 13 176.495 0.300 . 1 . . . . 43 GLN C . 11153 1 449 . 1 1 43 43 GLN CA C 13 58.080 0.300 . 1 . . . . 43 GLN CA . 11153 1 450 . 1 1 43 43 GLN CB C 13 29.074 0.300 . 1 . . . . 43 GLN CB . 11153 1 451 . 1 1 43 43 GLN CG C 13 34.437 0.300 . 1 . . . . 43 GLN CG . 11153 1 452 . 1 1 43 43 GLN N N 15 113.091 0.300 . 1 . . . . 43 GLN N . 11153 1 453 . 1 1 43 43 GLN NE2 N 15 112.914 0.300 . 1 . . . . 43 GLN NE2 . 11153 1 454 . 1 1 44 44 GLU H H 1 8.804 0.030 . 1 . . . . 44 GLU H . 11153 1 455 . 1 1 44 44 GLU HA H 1 4.176 0.030 . 1 . . . . 44 GLU HA . 11153 1 456 . 1 1 44 44 GLU HB2 H 1 2.047 0.030 . 2 . . . . 44 GLU HB2 . 11153 1 457 . 1 1 44 44 GLU HB3 H 1 1.825 0.030 . 2 . . . . 44 GLU HB3 . 11153 1 458 . 1 1 44 44 GLU HG2 H 1 2.102 0.030 . 2 . . . . 44 GLU HG2 . 11153 1 459 . 1 1 44 44 GLU HG3 H 1 2.015 0.030 . 2 . . . . 44 GLU HG3 . 11153 1 460 . 1 1 44 44 GLU CA C 13 56.798 0.300 . 1 . . . . 44 GLU CA . 11153 1 461 . 1 1 44 44 GLU CB C 13 32.231 0.300 . 1 . . . . 44 GLU CB . 11153 1 462 . 1 1 44 44 GLU CG C 13 36.990 0.300 . 1 . . . . 44 GLU CG . 11153 1 463 . 1 1 44 44 GLU N N 15 117.077 0.300 . 1 . . . . 44 GLU N . 11153 1 464 . 1 1 45 45 TRP H H 1 8.215 0.030 . 1 . . . . 45 TRP H . 11153 1 465 . 1 1 45 45 TRP HA H 1 4.980 0.030 . 1 . . . . 45 TRP HA . 11153 1 466 . 1 1 45 45 TRP HB2 H 1 2.971 0.030 . 2 . . . . 45 TRP HB2 . 11153 1 467 . 1 1 45 45 TRP HB3 H 1 2.824 0.030 . 2 . . . . 45 TRP HB3 . 11153 1 468 . 1 1 45 45 TRP HD1 H 1 7.663 0.030 . 1 . . . . 45 TRP HD1 . 11153 1 469 . 1 1 45 45 TRP HE1 H 1 9.985 0.030 . 1 . . . . 45 TRP HE1 . 11153 1 470 . 1 1 45 45 TRP HE3 H 1 7.172 0.030 . 1 . . . . 45 TRP HE3 . 11153 1 471 . 1 1 45 45 TRP HH2 H 1 7.128 0.030 . 1 . . . . 45 TRP HH2 . 11153 1 472 . 1 1 45 45 TRP HZ2 H 1 7.404 0.030 . 1 . . . . 45 TRP HZ2 . 11153 1 473 . 1 1 45 45 TRP HZ3 H 1 6.849 0.030 . 1 . . . . 45 TRP HZ3 . 11153 1 474 . 1 1 45 45 TRP C C 13 174.650 0.300 . 1 . . . . 45 TRP C . 11153 1 475 . 1 1 45 45 TRP CA C 13 56.317 0.300 . 1 . . . . 45 TRP CA . 11153 1 476 . 1 1 45 45 TRP CB C 13 30.812 0.300 . 1 . . . . 45 TRP CB . 11153 1 477 . 1 1 45 45 TRP CD1 C 13 129.011 0.300 . 1 . . . . 45 TRP CD1 . 11153 1 478 . 1 1 45 45 TRP CE3 C 13 119.952 0.300 . 1 . . . . 45 TRP CE3 . 11153 1 479 . 1 1 45 45 TRP CH2 C 13 124.625 0.300 . 1 . . . . 45 TRP CH2 . 11153 1 480 . 1 1 45 45 TRP CZ2 C 13 114.500 0.300 . 1 . . . . 45 TRP CZ2 . 11153 1 481 . 1 1 45 45 TRP CZ3 C 13 120.780 0.300 . 1 . . . . 45 TRP CZ3 . 11153 1 482 . 1 1 45 45 TRP N N 15 122.796 0.300 . 1 . . . . 45 TRP N . 11153 1 483 . 1 1 45 45 TRP NE1 N 15 128.809 0.300 . 1 . . . . 45 TRP NE1 . 11153 1 484 . 1 1 46 46 TRP H H 1 8.346 0.030 . 1 . . . . 46 TRP H . 11153 1 485 . 1 1 46 46 TRP HA H 1 5.289 0.030 . 1 . . . . 46 TRP HA . 11153 1 486 . 1 1 46 46 TRP HB2 H 1 3.223 0.030 . 2 . . . . 46 TRP HB2 . 11153 1 487 . 1 1 46 46 TRP HB3 H 1 2.260 0.030 . 2 . . . . 46 TRP HB3 . 11153 1 488 . 1 1 46 46 TRP HD1 H 1 7.401 0.030 . 1 . . . . 46 TRP HD1 . 11153 1 489 . 1 1 46 46 TRP HE1 H 1 9.588 0.030 . 1 . . . . 46 TRP HE1 . 11153 1 490 . 1 1 46 46 TRP HE3 H 1 7.456 0.030 . 1 . . . . 46 TRP HE3 . 11153 1 491 . 1 1 46 46 TRP HH2 H 1 7.123 0.030 . 1 . . . . 46 TRP HH2 . 11153 1 492 . 1 1 46 46 TRP HZ2 H 1 7.467 0.030 . 1 . . . . 46 TRP HZ2 . 11153 1 493 . 1 1 46 46 TRP HZ3 H 1 6.839 0.030 . 1 . . . . 46 TRP HZ3 . 11153 1 494 . 1 1 46 46 TRP C C 13 172.247 0.300 . 1 . . . . 46 TRP C . 11153 1 495 . 1 1 46 46 TRP CA C 13 52.791 0.300 . 1 . . . . 46 TRP CA . 11153 1 496 . 1 1 46 46 TRP CB C 13 34.010 0.300 . 1 . . . . 46 TRP CB . 11153 1 497 . 1 1 46 46 TRP CD1 C 13 124.033 0.300 . 1 . . . . 46 TRP CD1 . 11153 1 498 . 1 1 46 46 TRP CE3 C 13 120.146 0.300 . 1 . . . . 46 TRP CE3 . 11153 1 499 . 1 1 46 46 TRP CH2 C 13 124.159 0.300 . 1 . . . . 46 TRP CH2 . 11153 1 500 . 1 1 46 46 TRP CZ2 C 13 115.250 0.300 . 1 . . . . 46 TRP CZ2 . 11153 1 501 . 1 1 46 46 TRP CZ3 C 13 120.004 0.300 . 1 . . . . 46 TRP CZ3 . 11153 1 502 . 1 1 46 46 TRP N N 15 125.642 0.300 . 1 . . . . 46 TRP N . 11153 1 503 . 1 1 46 46 TRP NE1 N 15 128.041 0.300 . 1 . . . . 46 TRP NE1 . 11153 1 504 . 1 1 47 47 ILE H H 1 8.370 0.030 . 1 . . . . 47 ILE H . 11153 1 505 . 1 1 47 47 ILE HA H 1 4.915 0.030 . 1 . . . . 47 ILE HA . 11153 1 506 . 1 1 47 47 ILE HB H 1 1.306 0.030 . 1 . . . . 47 ILE HB . 11153 1 507 . 1 1 47 47 ILE HD11 H 1 0.795 0.030 . 1 . . . . 47 ILE HD1 . 11153 1 508 . 1 1 47 47 ILE HD12 H 1 0.795 0.030 . 1 . . . . 47 ILE HD1 . 11153 1 509 . 1 1 47 47 ILE HD13 H 1 0.795 0.030 . 1 . . . . 47 ILE HD1 . 11153 1 510 . 1 1 47 47 ILE HG12 H 1 1.391 0.030 . 2 . . . . 47 ILE HG12 . 11153 1 511 . 1 1 47 47 ILE HG13 H 1 1.005 0.030 . 2 . . . . 47 ILE HG13 . 11153 1 512 . 1 1 47 47 ILE HG21 H 1 0.880 0.030 . 1 . . . . 47 ILE HG2 . 11153 1 513 . 1 1 47 47 ILE HG22 H 1 0.880 0.030 . 1 . . . . 47 ILE HG2 . 11153 1 514 . 1 1 47 47 ILE HG23 H 1 0.880 0.030 . 1 . . . . 47 ILE HG2 . 11153 1 515 . 1 1 47 47 ILE C C 13 176.107 0.300 . 1 . . . . 47 ILE C . 11153 1 516 . 1 1 47 47 ILE CA C 13 60.407 0.300 . 1 . . . . 47 ILE CA . 11153 1 517 . 1 1 47 47 ILE CB C 13 41.691 0.300 . 1 . . . . 47 ILE CB . 11153 1 518 . 1 1 47 47 ILE CD1 C 13 14.320 0.300 . 1 . . . . 47 ILE CD1 . 11153 1 519 . 1 1 47 47 ILE CG1 C 13 28.249 0.300 . 1 . . . . 47 ILE CG1 . 11153 1 520 . 1 1 47 47 ILE CG2 C 13 17.563 0.300 . 1 . . . . 47 ILE CG2 . 11153 1 521 . 1 1 47 47 ILE N N 15 117.785 0.300 . 1 . . . . 47 ILE N . 11153 1 522 . 1 1 48 48 GLY H H 1 8.792 0.030 . 1 . . . . 48 GLY H . 11153 1 523 . 1 1 48 48 GLY HA2 H 1 4.620 0.030 . 2 . . . . 48 GLY HA2 . 11153 1 524 . 1 1 48 48 GLY HA3 H 1 4.873 0.030 . 2 . . . . 48 GLY HA3 . 11153 1 525 . 1 1 48 48 GLY C C 13 170.741 0.300 . 1 . . . . 48 GLY C . 11153 1 526 . 1 1 48 48 GLY CA C 13 47.251 0.300 . 1 . . . . 48 GLY CA . 11153 1 527 . 1 1 48 48 GLY N N 15 112.535 0.300 . 1 . . . . 48 GLY N . 11153 1 528 . 1 1 49 49 HIS H H 1 8.375 0.030 . 1 . . . . 49 HIS H . 11153 1 529 . 1 1 49 49 HIS HA H 1 5.965 0.030 . 1 . . . . 49 HIS HA . 11153 1 530 . 1 1 49 49 HIS HB2 H 1 3.041 0.030 . 2 . . . . 49 HIS HB2 . 11153 1 531 . 1 1 49 49 HIS HB3 H 1 3.383 0.030 . 2 . . . . 49 HIS HB3 . 11153 1 532 . 1 1 49 49 HIS HD2 H 1 6.880 0.030 . 1 . . . . 49 HIS HD2 . 11153 1 533 . 1 1 49 49 HIS HE1 H 1 7.940 0.030 . 1 . . . . 49 HIS HE1 . 11153 1 534 . 1 1 49 49 HIS C C 13 173.412 0.300 . 1 . . . . 49 HIS C . 11153 1 535 . 1 1 49 49 HIS CA C 13 53.391 0.300 . 1 . . . . 49 HIS CA . 11153 1 536 . 1 1 49 49 HIS CB C 13 33.790 0.300 . 1 . . . . 49 HIS CB . 11153 1 537 . 1 1 49 49 HIS CD2 C 13 124.872 0.300 . 1 . . . . 49 HIS CD2 . 11153 1 538 . 1 1 49 49 HIS CE1 C 13 137.755 0.300 . 1 . . . . 49 HIS CE1 . 11153 1 539 . 1 1 49 49 HIS N N 15 113.306 0.300 . 1 . . . . 49 HIS N . 11153 1 540 . 1 1 50 50 ILE H H 1 8.352 0.030 . 1 . . . . 50 ILE H . 11153 1 541 . 1 1 50 50 ILE HA H 1 4.280 0.030 . 1 . . . . 50 ILE HA . 11153 1 542 . 1 1 50 50 ILE HB H 1 2.421 0.030 . 1 . . . . 50 ILE HB . 11153 1 543 . 1 1 50 50 ILE HD11 H 1 0.637 0.030 . 1 . . . . 50 ILE HD1 . 11153 1 544 . 1 1 50 50 ILE HD12 H 1 0.637 0.030 . 1 . . . . 50 ILE HD1 . 11153 1 545 . 1 1 50 50 ILE HD13 H 1 0.637 0.030 . 1 . . . . 50 ILE HD1 . 11153 1 546 . 1 1 50 50 ILE HG12 H 1 1.328 0.030 . 2 . . . . 50 ILE HG12 . 11153 1 547 . 1 1 50 50 ILE HG13 H 1 1.736 0.030 . 2 . . . . 50 ILE HG13 . 11153 1 548 . 1 1 50 50 ILE HG21 H 1 1.071 0.030 . 1 . . . . 50 ILE HG2 . 11153 1 549 . 1 1 50 50 ILE HG22 H 1 1.071 0.030 . 1 . . . . 50 ILE HG2 . 11153 1 550 . 1 1 50 50 ILE HG23 H 1 1.071 0.030 . 1 . . . . 50 ILE HG2 . 11153 1 551 . 1 1 50 50 ILE C C 13 178.195 0.300 . 1 . . . . 50 ILE C . 11153 1 552 . 1 1 50 50 ILE CA C 13 58.782 0.300 . 1 . . . . 50 ILE CA . 11153 1 553 . 1 1 50 50 ILE CB C 13 35.450 0.300 . 1 . . . . 50 ILE CB . 11153 1 554 . 1 1 50 50 ILE CD1 C 13 8.951 0.300 . 1 . . . . 50 ILE CD1 . 11153 1 555 . 1 1 50 50 ILE CG1 C 13 26.220 0.300 . 1 . . . . 50 ILE CG1 . 11153 1 556 . 1 1 50 50 ILE CG2 C 13 16.383 0.300 . 1 . . . . 50 ILE CG2 . 11153 1 557 . 1 1 50 50 ILE N N 15 122.710 0.300 . 1 . . . . 50 ILE N . 11153 1 558 . 1 1 51 51 GLU H H 1 9.183 0.030 . 1 . . . . 51 GLU H . 11153 1 559 . 1 1 51 51 GLU HA H 1 3.968 0.030 . 1 . . . . 51 GLU HA . 11153 1 560 . 1 1 51 51 GLU HB2 H 1 2.124 0.030 . 2 . . . . 51 GLU HB2 . 11153 1 561 . 1 1 51 51 GLU HB3 H 1 1.699 0.030 . 2 . . . . 51 GLU HB3 . 11153 1 562 . 1 1 51 51 GLU HG2 H 1 2.205 0.030 . 2 . . . . 51 GLU HG2 . 11153 1 563 . 1 1 51 51 GLU HG3 H 1 2.112 0.030 . 2 . . . . 51 GLU HG3 . 11153 1 564 . 1 1 51 51 GLU C C 13 176.835 0.300 . 1 . . . . 51 GLU C . 11153 1 565 . 1 1 51 51 GLU CA C 13 59.314 0.300 . 1 . . . . 51 GLU CA . 11153 1 566 . 1 1 51 51 GLU CB C 13 29.722 0.300 . 1 . . . . 51 GLU CB . 11153 1 567 . 1 1 51 51 GLU CG C 13 36.754 0.300 . 1 . . . . 51 GLU CG . 11153 1 568 . 1 1 51 51 GLU N N 15 132.339 0.300 . 1 . . . . 51 GLU N . 11153 1 569 . 1 1 52 52 GLY H H 1 9.308 0.030 . 1 . . . . 52 GLY H . 11153 1 570 . 1 1 52 52 GLY HA2 H 1 4.415 0.030 . 2 . . . . 52 GLY HA2 . 11153 1 571 . 1 1 52 52 GLY HA3 H 1 3.844 0.030 . 2 . . . . 52 GLY HA3 . 11153 1 572 . 1 1 52 52 GLY CA C 13 45.301 0.300 . 1 . . . . 52 GLY CA . 11153 1 573 . 1 1 53 53 GLN H H 1 8.301 0.030 . 1 . . . . 53 GLN H . 11153 1 574 . 1 1 53 53 GLN HA H 1 4.933 0.030 . 1 . . . . 53 GLN HA . 11153 1 575 . 1 1 53 53 GLN HB2 H 1 2.116 0.030 . 2 . . . . 53 GLN HB2 . 11153 1 576 . 1 1 53 53 GLN HB3 H 1 1.817 0.030 . 2 . . . . 53 GLN HB3 . 11153 1 577 . 1 1 53 53 GLN HE21 H 1 7.775 0.030 . 2 . . . . 53 GLN HE21 . 11153 1 578 . 1 1 53 53 GLN HE22 H 1 7.091 0.030 . 2 . . . . 53 GLN HE22 . 11153 1 579 . 1 1 53 53 GLN HG2 H 1 2.416 0.030 . 2 . . . . 53 GLN HG2 . 11153 1 580 . 1 1 53 53 GLN HG3 H 1 2.292 0.030 . 2 . . . . 53 GLN HG3 . 11153 1 581 . 1 1 53 53 GLN CA C 13 53.769 0.300 . 1 . . . . 53 GLN CA . 11153 1 582 . 1 1 53 53 GLN CB C 13 30.627 0.300 . 1 . . . . 53 GLN CB . 11153 1 583 . 1 1 53 53 GLN CG C 13 34.115 0.300 . 1 . . . . 53 GLN CG . 11153 1 584 . 1 1 53 53 GLN NE2 N 15 113.497 0.300 . 1 . . . . 53 GLN NE2 . 11153 1 585 . 1 1 54 54 PRO HA H 1 3.921 0.030 . 1 . . . . 54 PRO HA . 11153 1 586 . 1 1 54 54 PRO HB2 H 1 1.696 0.030 . 1 . . . . 54 PRO HB2 . 11153 1 587 . 1 1 54 54 PRO HB3 H 1 1.696 0.030 . 1 . . . . 54 PRO HB3 . 11153 1 588 . 1 1 54 54 PRO HD2 H 1 3.386 0.030 . 2 . . . . 54 PRO HD2 . 11153 1 589 . 1 1 54 54 PRO HD3 H 1 3.704 0.030 . 2 . . . . 54 PRO HD3 . 11153 1 590 . 1 1 54 54 PRO HG2 H 1 1.909 0.030 . 2 . . . . 54 PRO HG2 . 11153 1 591 . 1 1 54 54 PRO HG3 H 1 1.842 0.030 . 2 . . . . 54 PRO HG3 . 11153 1 592 . 1 1 54 54 PRO C C 13 176.471 0.300 . 1 . . . . 54 PRO C . 11153 1 593 . 1 1 54 54 PRO CA C 13 64.483 0.300 . 1 . . . . 54 PRO CA . 11153 1 594 . 1 1 54 54 PRO CB C 13 31.540 0.300 . 1 . . . . 54 PRO CB . 11153 1 595 . 1 1 54 54 PRO CD C 13 50.085 0.300 . 1 . . . . 54 PRO CD . 11153 1 596 . 1 1 54 54 PRO CG C 13 27.297 0.300 . 1 . . . . 54 PRO CG . 11153 1 597 . 1 1 55 55 GLU H H 1 9.191 0.030 . 1 . . . . 55 GLU H . 11153 1 598 . 1 1 55 55 GLU HA H 1 4.260 0.030 . 1 . . . . 55 GLU HA . 11153 1 599 . 1 1 55 55 GLU HB2 H 1 2.136 0.030 . 2 . . . . 55 GLU HB2 . 11153 1 600 . 1 1 55 55 GLU HB3 H 1 2.018 0.030 . 2 . . . . 55 GLU HB3 . 11153 1 601 . 1 1 55 55 GLU HG2 H 1 2.401 0.030 . 2 . . . . 55 GLU HG2 . 11153 1 602 . 1 1 55 55 GLU HG3 H 1 2.234 0.030 . 2 . . . . 55 GLU HG3 . 11153 1 603 . 1 1 55 55 GLU C C 13 177.709 0.300 . 1 . . . . 55 GLU C . 11153 1 604 . 1 1 55 55 GLU CA C 13 57.707 0.300 . 1 . . . . 55 GLU CA . 11153 1 605 . 1 1 55 55 GLU CB C 13 28.227 0.300 . 1 . . . . 55 GLU CB . 11153 1 606 . 1 1 55 55 GLU CG C 13 36.166 0.300 . 1 . . . . 55 GLU CG . 11153 1 607 . 1 1 55 55 GLU N N 15 116.915 0.300 . 1 . . . . 55 GLU N . 11153 1 608 . 1 1 56 56 ARG H H 1 8.383 0.030 . 1 . . . . 56 ARG H . 11153 1 609 . 1 1 56 56 ARG HA H 1 4.578 0.030 . 1 . . . . 56 ARG HA . 11153 1 610 . 1 1 56 56 ARG HB2 H 1 2.031 0.030 . 1 . . . . 56 ARG HB2 . 11153 1 611 . 1 1 56 56 ARG HB3 H 1 2.031 0.030 . 1 . . . . 56 ARG HB3 . 11153 1 612 . 1 1 56 56 ARG HD2 H 1 3.090 0.030 . 2 . . . . 56 ARG HD2 . 11153 1 613 . 1 1 56 56 ARG HD3 H 1 3.498 0.030 . 2 . . . . 56 ARG HD3 . 11153 1 614 . 1 1 56 56 ARG HE H 1 7.762 0.030 . 1 . . . . 56 ARG HE . 11153 1 615 . 1 1 56 56 ARG HG2 H 1 1.746 0.030 . 1 . . . . 56 ARG HG2 . 11153 1 616 . 1 1 56 56 ARG HG3 H 1 1.746 0.030 . 1 . . . . 56 ARG HG3 . 11153 1 617 . 1 1 56 56 ARG C C 13 172.441 0.300 . 1 . . . . 56 ARG C . 11153 1 618 . 1 1 56 56 ARG CA C 13 55.859 0.300 . 1 . . . . 56 ARG CA . 11153 1 619 . 1 1 56 56 ARG CB C 13 29.915 0.300 . 1 . . . . 56 ARG CB . 11153 1 620 . 1 1 56 56 ARG CD C 13 44.655 0.300 . 1 . . . . 56 ARG CD . 11153 1 621 . 1 1 56 56 ARG CG C 13 26.515 0.300 . 1 . . . . 56 ARG CG . 11153 1 622 . 1 1 56 56 ARG N N 15 124.247 0.300 . 1 . . . . 56 ARG N . 11153 1 623 . 1 1 56 56 ARG NE N 15 83.950 0.300 . 1 . . . . 56 ARG NE . 11153 1 624 . 1 1 57 57 LYS H H 1 7.798 0.030 . 1 . . . . 57 LYS H . 11153 1 625 . 1 1 57 57 LYS HA H 1 5.644 0.030 . 1 . . . . 57 LYS HA . 11153 1 626 . 1 1 57 57 LYS HB2 H 1 2.024 0.030 . 2 . . . . 57 LYS HB2 . 11153 1 627 . 1 1 57 57 LYS HB3 H 1 1.851 0.030 . 2 . . . . 57 LYS HB3 . 11153 1 628 . 1 1 57 57 LYS HD2 H 1 1.703 0.030 . 1 . . . . 57 LYS HD2 . 11153 1 629 . 1 1 57 57 LYS HD3 H 1 1.703 0.030 . 1 . . . . 57 LYS HD3 . 11153 1 630 . 1 1 57 57 LYS HE2 H 1 3.023 0.030 . 1 . . . . 57 LYS HE2 . 11153 1 631 . 1 1 57 57 LYS HE3 H 1 3.023 0.030 . 1 . . . . 57 LYS HE3 . 11153 1 632 . 1 1 57 57 LYS HG2 H 1 1.415 0.030 . 1 . . . . 57 LYS HG2 . 11153 1 633 . 1 1 57 57 LYS HG3 H 1 1.415 0.030 . 1 . . . . 57 LYS HG3 . 11153 1 634 . 1 1 57 57 LYS C C 13 175.306 0.300 . 1 . . . . 57 LYS C . 11153 1 635 . 1 1 57 57 LYS CA C 13 54.057 0.300 . 1 . . . . 57 LYS CA . 11153 1 636 . 1 1 57 57 LYS CB C 13 36.421 0.300 . 1 . . . . 57 LYS CB . 11153 1 637 . 1 1 57 57 LYS CD C 13 29.815 0.300 . 1 . . . . 57 LYS CD . 11153 1 638 . 1 1 57 57 LYS CE C 13 42.415 0.300 . 1 . . . . 57 LYS CE . 11153 1 639 . 1 1 57 57 LYS CG C 13 23.448 0.300 . 1 . . . . 57 LYS CG . 11153 1 640 . 1 1 57 57 LYS N N 15 120.650 0.300 . 1 . . . . 57 LYS N . 11153 1 641 . 1 1 58 58 GLY H H 1 9.038 0.030 . 1 . . . . 58 GLY H . 11153 1 642 . 1 1 58 58 GLY HA2 H 1 4.179 0.030 . 2 . . . . 58 GLY HA2 . 11153 1 643 . 1 1 58 58 GLY HA3 H 1 4.408 0.030 . 2 . . . . 58 GLY HA3 . 11153 1 644 . 1 1 58 58 GLY C C 13 171.543 0.300 . 1 . . . . 58 GLY C . 11153 1 645 . 1 1 58 58 GLY CA C 13 45.303 0.300 . 1 . . . . 58 GLY CA . 11153 1 646 . 1 1 58 58 GLY N N 15 108.779 0.300 . 1 . . . . 58 GLY N . 11153 1 647 . 1 1 59 59 VAL H H 1 8.499 0.030 . 1 . . . . 59 VAL H . 11153 1 648 . 1 1 59 59 VAL HA H 1 5.645 0.030 . 1 . . . . 59 VAL HA . 11153 1 649 . 1 1 59 59 VAL HB H 1 2.165 0.030 . 1 . . . . 59 VAL HB . 11153 1 650 . 1 1 59 59 VAL HG11 H 1 1.027 0.030 . 1 . . . . 59 VAL HG1 . 11153 1 651 . 1 1 59 59 VAL HG12 H 1 1.027 0.030 . 1 . . . . 59 VAL HG1 . 11153 1 652 . 1 1 59 59 VAL HG13 H 1 1.027 0.030 . 1 . . . . 59 VAL HG1 . 11153 1 653 . 1 1 59 59 VAL HG21 H 1 0.942 0.030 . 1 . . . . 59 VAL HG2 . 11153 1 654 . 1 1 59 59 VAL HG22 H 1 0.942 0.030 . 1 . . . . 59 VAL HG2 . 11153 1 655 . 1 1 59 59 VAL HG23 H 1 0.942 0.030 . 1 . . . . 59 VAL HG2 . 11153 1 656 . 1 1 59 59 VAL C C 13 177.515 0.300 . 1 . . . . 59 VAL C . 11153 1 657 . 1 1 59 59 VAL CA C 13 60.442 0.300 . 1 . . . . 59 VAL CA . 11153 1 658 . 1 1 59 59 VAL CB C 13 33.904 0.300 . 1 . . . . 59 VAL CB . 11153 1 659 . 1 1 59 59 VAL CG1 C 13 22.267 0.300 . 2 . . . . 59 VAL CG1 . 11153 1 660 . 1 1 59 59 VAL CG2 C 13 21.261 0.300 . 2 . . . . 59 VAL CG2 . 11153 1 661 . 1 1 59 59 VAL N N 15 115.841 0.300 . 1 . . . . 59 VAL N . 11153 1 662 . 1 1 60 60 PHE H H 1 9.457 0.030 . 1 . . . . 60 PHE H . 11153 1 663 . 1 1 60 60 PHE HA H 1 5.712 0.030 . 1 . . . . 60 PHE HA . 11153 1 664 . 1 1 60 60 PHE HB2 H 1 3.111 0.030 . 1 . . . . 60 PHE HB2 . 11153 1 665 . 1 1 60 60 PHE HB3 H 1 3.111 0.030 . 1 . . . . 60 PHE HB3 . 11153 1 666 . 1 1 60 60 PHE HD1 H 1 6.956 0.030 . 1 . . . . 60 PHE HD1 . 11153 1 667 . 1 1 60 60 PHE HD2 H 1 6.956 0.030 . 1 . . . . 60 PHE HD2 . 11153 1 668 . 1 1 60 60 PHE HE1 H 1 7.356 0.030 . 1 . . . . 60 PHE HE1 . 11153 1 669 . 1 1 60 60 PHE HE2 H 1 7.356 0.030 . 1 . . . . 60 PHE HE2 . 11153 1 670 . 1 1 60 60 PHE HZ H 1 6.953 0.030 . 1 . . . . 60 PHE HZ . 11153 1 671 . 1 1 60 60 PHE C C 13 170.110 0.300 . 1 . . . . 60 PHE C . 11153 1 672 . 1 1 60 60 PHE CA C 13 55.094 0.300 . 1 . . . . 60 PHE CA . 11153 1 673 . 1 1 60 60 PHE CB C 13 40.735 0.300 . 1 . . . . 60 PHE CB . 11153 1 674 . 1 1 60 60 PHE CD1 C 13 129.949 0.300 . 1 . . . . 60 PHE CD1 . 11153 1 675 . 1 1 60 60 PHE CD2 C 13 129.949 0.300 . 1 . . . . 60 PHE CD2 . 11153 1 676 . 1 1 60 60 PHE CE1 C 13 129.591 0.300 . 1 . . . . 60 PHE CE1 . 11153 1 677 . 1 1 60 60 PHE CE2 C 13 129.591 0.300 . 1 . . . . 60 PHE CE2 . 11153 1 678 . 1 1 60 60 PHE CZ C 13 129.898 0.300 . 1 . . . . 60 PHE CZ . 11153 1 679 . 1 1 60 60 PHE N N 15 122.340 0.300 . 1 . . . . 60 PHE N . 11153 1 680 . 1 1 61 61 PRO HA H 1 4.051 0.030 . 1 . . . . 61 PRO HA . 11153 1 681 . 1 1 61 61 PRO HB2 H 1 1.011 0.030 . 2 . . . . 61 PRO HB2 . 11153 1 682 . 1 1 61 61 PRO HB3 H 1 1.390 0.030 . 2 . . . . 61 PRO HB3 . 11153 1 683 . 1 1 61 61 PRO HD2 H 1 3.503 0.030 . 2 . . . . 61 PRO HD2 . 11153 1 684 . 1 1 61 61 PRO HD3 H 1 4.031 0.030 . 2 . . . . 61 PRO HD3 . 11153 1 685 . 1 1 61 61 PRO HG2 H 1 1.084 0.030 . 2 . . . . 61 PRO HG2 . 11153 1 686 . 1 1 61 61 PRO HG3 H 1 1.047 0.030 . 2 . . . . 61 PRO HG3 . 11153 1 687 . 1 1 61 61 PRO C C 13 178.559 0.300 . 1 . . . . 61 PRO C . 11153 1 688 . 1 1 61 61 PRO CA C 13 60.724 0.300 . 1 . . . . 61 PRO CA . 11153 1 689 . 1 1 61 61 PRO CB C 13 30.392 0.300 . 1 . . . . 61 PRO CB . 11153 1 690 . 1 1 61 61 PRO CD C 13 50.904 0.300 . 1 . . . . 61 PRO CD . 11153 1 691 . 1 1 61 61 PRO CG C 13 26.560 0.300 . 1 . . . . 61 PRO CG . 11153 1 692 . 1 1 62 62 VAL H H 1 7.794 0.030 . 1 . . . . 62 VAL H . 11153 1 693 . 1 1 62 62 VAL HA H 1 3.041 0.030 . 1 . . . . 62 VAL HA . 11153 1 694 . 1 1 62 62 VAL HB H 1 1.098 0.030 . 1 . . . . 62 VAL HB . 11153 1 695 . 1 1 62 62 VAL HG11 H 1 0.020 0.030 . 1 . . . . 62 VAL HG1 . 11153 1 696 . 1 1 62 62 VAL HG12 H 1 0.020 0.030 . 1 . . . . 62 VAL HG1 . 11153 1 697 . 1 1 62 62 VAL HG13 H 1 0.020 0.030 . 1 . . . . 62 VAL HG1 . 11153 1 698 . 1 1 62 62 VAL HG21 H 1 -0.502 0.030 . 1 . . . . 62 VAL HG2 . 11153 1 699 . 1 1 62 62 VAL HG22 H 1 -0.502 0.030 . 1 . . . . 62 VAL HG2 . 11153 1 700 . 1 1 62 62 VAL HG23 H 1 -0.502 0.030 . 1 . . . . 62 VAL HG2 . 11153 1 701 . 1 1 62 62 VAL C C 13 177.418 0.300 . 1 . . . . 62 VAL C . 11153 1 702 . 1 1 62 62 VAL CA C 13 64.920 0.300 . 1 . . . . 62 VAL CA . 11153 1 703 . 1 1 62 62 VAL CB C 13 31.391 0.300 . 1 . . . . 62 VAL CB . 11153 1 704 . 1 1 62 62 VAL CG1 C 13 20.136 0.300 . 2 . . . . 62 VAL CG1 . 11153 1 705 . 1 1 62 62 VAL CG2 C 13 20.582 0.300 . 2 . . . . 62 VAL CG2 . 11153 1 706 . 1 1 62 62 VAL N N 15 126.704 0.300 . 1 . . . . 62 VAL N . 11153 1 707 . 1 1 63 63 SER H H 1 8.340 0.030 . 1 . . . . 63 SER H . 11153 1 708 . 1 1 63 63 SER HA H 1 4.282 0.030 . 1 . . . . 63 SER HA . 11153 1 709 . 1 1 63 63 SER HB2 H 1 4.117 0.030 . 2 . . . . 63 SER HB2 . 11153 1 710 . 1 1 63 63 SER HB3 H 1 3.901 0.030 . 2 . . . . 63 SER HB3 . 11153 1 711 . 1 1 63 63 SER C C 13 175.621 0.300 . 1 . . . . 63 SER C . 11153 1 712 . 1 1 63 63 SER CA C 13 59.984 0.300 . 1 . . . . 63 SER CA . 11153 1 713 . 1 1 63 63 SER CB C 13 63.132 0.300 . 1 . . . . 63 SER CB . 11153 1 714 . 1 1 63 63 SER N N 15 112.625 0.300 . 1 . . . . 63 SER N . 11153 1 715 . 1 1 64 64 PHE H H 1 8.012 0.030 . 1 . . . . 64 PHE H . 11153 1 716 . 1 1 64 64 PHE HA H 1 4.936 0.030 . 1 . . . . 64 PHE HA . 11153 1 717 . 1 1 64 64 PHE HB2 H 1 3.634 0.030 . 2 . . . . 64 PHE HB2 . 11153 1 718 . 1 1 64 64 PHE HB3 H 1 3.852 0.030 . 2 . . . . 64 PHE HB3 . 11153 1 719 . 1 1 64 64 PHE HD1 H 1 7.419 0.030 . 1 . . . . 64 PHE HD1 . 11153 1 720 . 1 1 64 64 PHE HD2 H 1 7.419 0.030 . 1 . . . . 64 PHE HD2 . 11153 1 721 . 1 1 64 64 PHE HE1 H 1 7.329 0.030 . 1 . . . . 64 PHE HE1 . 11153 1 722 . 1 1 64 64 PHE HE2 H 1 7.329 0.030 . 1 . . . . 64 PHE HE2 . 11153 1 723 . 1 1 64 64 PHE HZ H 1 7.243 0.030 . 1 . . . . 64 PHE HZ . 11153 1 724 . 1 1 64 64 PHE C C 13 175.476 0.300 . 1 . . . . 64 PHE C . 11153 1 725 . 1 1 64 64 PHE CA C 13 57.128 0.300 . 1 . . . . 64 PHE CA . 11153 1 726 . 1 1 64 64 PHE CB C 13 38.582 0.300 . 1 . . . . 64 PHE CB . 11153 1 727 . 1 1 64 64 PHE CD1 C 13 130.330 0.300 . 1 . . . . 64 PHE CD1 . 11153 1 728 . 1 1 64 64 PHE CD2 C 13 130.330 0.300 . 1 . . . . 64 PHE CD2 . 11153 1 729 . 1 1 64 64 PHE CE1 C 13 131.646 0.300 . 1 . . . . 64 PHE CE1 . 11153 1 730 . 1 1 64 64 PHE CE2 C 13 131.646 0.300 . 1 . . . . 64 PHE CE2 . 11153 1 731 . 1 1 64 64 PHE CZ C 13 130.013 0.300 . 1 . . . . 64 PHE CZ . 11153 1 732 . 1 1 64 64 PHE N N 15 121.544 0.300 . 1 . . . . 64 PHE N . 11153 1 733 . 1 1 65 65 VAL H H 1 7.754 0.030 . 1 . . . . 65 VAL H . 11153 1 734 . 1 1 65 65 VAL HA H 1 5.366 0.030 . 1 . . . . 65 VAL HA . 11153 1 735 . 1 1 65 65 VAL HB H 1 1.814 0.030 . 1 . . . . 65 VAL HB . 11153 1 736 . 1 1 65 65 VAL HG11 H 1 0.520 0.030 . 1 . . . . 65 VAL HG1 . 11153 1 737 . 1 1 65 65 VAL HG12 H 1 0.520 0.030 . 1 . . . . 65 VAL HG1 . 11153 1 738 . 1 1 65 65 VAL HG13 H 1 0.520 0.030 . 1 . . . . 65 VAL HG1 . 11153 1 739 . 1 1 65 65 VAL HG21 H 1 0.909 0.030 . 1 . . . . 65 VAL HG2 . 11153 1 740 . 1 1 65 65 VAL HG22 H 1 0.909 0.030 . 1 . . . . 65 VAL HG2 . 11153 1 741 . 1 1 65 65 VAL HG23 H 1 0.909 0.030 . 1 . . . . 65 VAL HG2 . 11153 1 742 . 1 1 65 65 VAL C C 13 173.752 0.300 . 1 . . . . 65 VAL C . 11153 1 743 . 1 1 65 65 VAL CA C 13 58.759 0.300 . 1 . . . . 65 VAL CA . 11153 1 744 . 1 1 65 65 VAL CB C 13 35.878 0.300 . 1 . . . . 65 VAL CB . 11153 1 745 . 1 1 65 65 VAL CG1 C 13 20.915 0.300 . 2 . . . . 65 VAL CG1 . 11153 1 746 . 1 1 65 65 VAL CG2 C 13 17.831 0.300 . 2 . . . . 65 VAL CG2 . 11153 1 747 . 1 1 65 65 VAL N N 15 110.907 0.300 . 1 . . . . 65 VAL N . 11153 1 748 . 1 1 66 66 HIS H H 1 9.032 0.030 . 1 . . . . 66 HIS H . 11153 1 749 . 1 1 66 66 HIS HA H 1 5.098 0.030 . 1 . . . . 66 HIS HA . 11153 1 750 . 1 1 66 66 HIS HB2 H 1 3.037 0.030 . 2 . . . . 66 HIS HB2 . 11153 1 751 . 1 1 66 66 HIS HB3 H 1 2.944 0.030 . 2 . . . . 66 HIS HB3 . 11153 1 752 . 1 1 66 66 HIS HD2 H 1 6.934 0.030 . 1 . . . . 66 HIS HD2 . 11153 1 753 . 1 1 66 66 HIS HE1 H 1 7.976 0.030 . 1 . . . . 66 HIS HE1 . 11153 1 754 . 1 1 66 66 HIS C C 13 175.063 0.300 . 1 . . . . 66 HIS C . 11153 1 755 . 1 1 66 66 HIS CA C 13 53.355 0.300 . 1 . . . . 66 HIS CA . 11153 1 756 . 1 1 66 66 HIS CB C 13 33.279 0.300 . 1 . . . . 66 HIS CB . 11153 1 757 . 1 1 66 66 HIS CD2 C 13 120.316 0.300 . 1 . . . . 66 HIS CD2 . 11153 1 758 . 1 1 66 66 HIS CE1 C 13 138.054 0.300 . 1 . . . . 66 HIS CE1 . 11153 1 759 . 1 1 66 66 HIS N N 15 118.040 0.300 . 1 . . . . 66 HIS N . 11153 1 760 . 1 1 67 67 ILE H H 1 8.783 0.030 . 1 . . . . 67 ILE H . 11153 1 761 . 1 1 67 67 ILE HA H 1 4.029 0.030 . 1 . . . . 67 ILE HA . 11153 1 762 . 1 1 67 67 ILE HB H 1 1.863 0.030 . 1 . . . . 67 ILE HB . 11153 1 763 . 1 1 67 67 ILE HD11 H 1 1.046 0.030 . 1 . . . . 67 ILE HD1 . 11153 1 764 . 1 1 67 67 ILE HD12 H 1 1.046 0.030 . 1 . . . . 67 ILE HD1 . 11153 1 765 . 1 1 67 67 ILE HD13 H 1 1.046 0.030 . 1 . . . . 67 ILE HD1 . 11153 1 766 . 1 1 67 67 ILE HG12 H 1 1.742 0.030 . 2 . . . . 67 ILE HG12 . 11153 1 767 . 1 1 67 67 ILE HG13 H 1 1.317 0.030 . 2 . . . . 67 ILE HG13 . 11153 1 768 . 1 1 67 67 ILE HG21 H 1 1.020 0.030 . 1 . . . . 67 ILE HG2 . 11153 1 769 . 1 1 67 67 ILE HG22 H 1 1.020 0.030 . 1 . . . . 67 ILE HG2 . 11153 1 770 . 1 1 67 67 ILE HG23 H 1 1.020 0.030 . 1 . . . . 67 ILE HG2 . 11153 1 771 . 1 1 67 67 ILE C C 13 175.840 0.300 . 1 . . . . 67 ILE C . 11153 1 772 . 1 1 67 67 ILE CA C 13 62.832 0.300 . 1 . . . . 67 ILE CA . 11153 1 773 . 1 1 67 67 ILE CB C 13 38.281 0.300 . 1 . . . . 67 ILE CB . 11153 1 774 . 1 1 67 67 ILE CD1 C 13 13.420 0.300 . 1 . . . . 67 ILE CD1 . 11153 1 775 . 1 1 67 67 ILE CG1 C 13 28.630 0.300 . 1 . . . . 67 ILE CG1 . 11153 1 776 . 1 1 67 67 ILE CG2 C 13 17.987 0.300 . 1 . . . . 67 ILE CG2 . 11153 1 777 . 1 1 67 67 ILE N N 15 125.170 0.300 . 1 . . . . 67 ILE N . 11153 1 778 . 1 1 68 68 LEU H H 1 8.238 0.030 . 1 . . . . 68 LEU H . 11153 1 779 . 1 1 68 68 LEU HA H 1 4.598 0.030 . 1 . . . . 68 LEU HA . 11153 1 780 . 1 1 68 68 LEU HB2 H 1 1.629 0.030 . 2 . . . . 68 LEU HB2 . 11153 1 781 . 1 1 68 68 LEU HB3 H 1 1.494 0.030 . 2 . . . . 68 LEU HB3 . 11153 1 782 . 1 1 68 68 LEU HD11 H 1 0.822 0.030 . 1 . . . . 68 LEU HD1 . 11153 1 783 . 1 1 68 68 LEU HD12 H 1 0.822 0.030 . 1 . . . . 68 LEU HD1 . 11153 1 784 . 1 1 68 68 LEU HD13 H 1 0.822 0.030 . 1 . . . . 68 LEU HD1 . 11153 1 785 . 1 1 68 68 LEU HD21 H 1 0.895 0.030 . 1 . . . . 68 LEU HD2 . 11153 1 786 . 1 1 68 68 LEU HD22 H 1 0.895 0.030 . 1 . . . . 68 LEU HD2 . 11153 1 787 . 1 1 68 68 LEU HD23 H 1 0.895 0.030 . 1 . . . . 68 LEU HD2 . 11153 1 788 . 1 1 68 68 LEU HG H 1 1.576 0.030 . 1 . . . . 68 LEU HG . 11153 1 789 . 1 1 68 68 LEU C C 13 176.884 0.300 . 1 . . . . 68 LEU C . 11153 1 790 . 1 1 68 68 LEU CA C 13 54.378 0.300 . 1 . . . . 68 LEU CA . 11153 1 791 . 1 1 68 68 LEU CB C 13 42.436 0.300 . 1 . . . . 68 LEU CB . 11153 1 792 . 1 1 68 68 LEU CD1 C 13 25.938 0.300 . 2 . . . . 68 LEU CD1 . 11153 1 793 . 1 1 68 68 LEU CD2 C 13 23.503 0.300 . 2 . . . . 68 LEU CD2 . 11153 1 794 . 1 1 68 68 LEU CG C 13 26.864 0.300 . 1 . . . . 68 LEU CG . 11153 1 795 . 1 1 68 68 LEU N N 15 128.491 0.300 . 1 . . . . 68 LEU N . 11153 1 796 . 1 1 69 69 SER H H 1 8.477 0.030 . 1 . . . . 69 SER H . 11153 1 797 . 1 1 69 69 SER HB2 H 1 3.892 0.030 . 2 . . . . 69 SER HB2 . 11153 1 798 . 1 1 69 69 SER CB C 13 64.083 0.300 . 1 . . . . 69 SER CB . 11153 1 799 . 1 1 69 69 SER N N 15 117.578 0.300 . 1 . . . . 69 SER N . 11153 1 800 . 1 1 70 70 ASP HA H 1 4.737 0.030 . 1 . . . . 70 ASP HA . 11153 1 801 . 1 1 70 70 ASP HB2 H 1 2.772 0.030 . 2 . . . . 70 ASP HB2 . 11153 1 802 . 1 1 70 70 ASP HB3 H 1 2.662 0.030 . 2 . . . . 70 ASP HB3 . 11153 1 803 . 1 1 70 70 ASP C C 13 176.277 0.300 . 1 . . . . 70 ASP C . 11153 1 804 . 1 1 70 70 ASP CA C 13 54.484 0.300 . 1 . . . . 70 ASP CA . 11153 1 805 . 1 1 70 70 ASP CB C 13 41.325 0.300 . 1 . . . . 70 ASP CB . 11153 1 806 . 1 1 71 71 SER H H 1 8.379 0.030 . 1 . . . . 71 SER H . 11153 1 807 . 1 1 71 71 SER HA H 1 4.532 0.030 . 1 . . . . 71 SER HA . 11153 1 808 . 1 1 71 71 SER HB2 H 1 3.929 0.030 . 2 . . . . 71 SER HB2 . 11153 1 809 . 1 1 71 71 SER HB3 H 1 3.896 0.030 . 2 . . . . 71 SER HB3 . 11153 1 810 . 1 1 71 71 SER C C 13 174.650 0.300 . 1 . . . . 71 SER C . 11153 1 811 . 1 1 71 71 SER CA C 13 58.291 0.300 . 1 . . . . 71 SER CA . 11153 1 812 . 1 1 71 71 SER CB C 13 64.093 0.300 . 1 . . . . 71 SER CB . 11153 1 813 . 1 1 71 71 SER N N 15 116.028 0.300 . 1 . . . . 71 SER N . 11153 1 814 . 1 1 72 72 GLY H H 1 8.322 0.030 . 1 . . . . 72 GLY H . 11153 1 815 . 1 1 72 72 GLY HA2 H 1 4.142 0.030 . 1 . . . . 72 GLY HA2 . 11153 1 816 . 1 1 72 72 GLY HA3 H 1 4.142 0.030 . 1 . . . . 72 GLY HA3 . 11153 1 817 . 1 1 72 72 GLY C C 13 171.810 0.300 . 1 . . . . 72 GLY C . 11153 1 818 . 1 1 72 72 GLY CA C 13 44.730 0.300 . 1 . . . . 72 GLY CA . 11153 1 819 . 1 1 72 72 GLY N N 15 110.673 0.300 . 1 . . . . 72 GLY N . 11153 1 820 . 1 1 73 73 PRO HA H 1 4.501 0.030 . 1 . . . . 73 PRO HA . 11153 1 821 . 1 1 73 73 PRO HB2 H 1 1.992 0.030 . 2 . . . . 73 PRO HB2 . 11153 1 822 . 1 1 73 73 PRO HB3 H 1 2.308 0.030 . 2 . . . . 73 PRO HB3 . 11153 1 823 . 1 1 73 73 PRO HD2 H 1 3.652 0.030 . 1 . . . . 73 PRO HD2 . 11153 1 824 . 1 1 73 73 PRO HD3 H 1 3.652 0.030 . 1 . . . . 73 PRO HD3 . 11153 1 825 . 1 1 73 73 PRO HG2 H 1 2.040 0.030 . 1 . . . . 73 PRO HG2 . 11153 1 826 . 1 1 73 73 PRO HG3 H 1 2.040 0.030 . 1 . . . . 73 PRO HG3 . 11153 1 827 . 1 1 73 73 PRO C C 13 177.466 0.300 . 1 . . . . 73 PRO C . 11153 1 828 . 1 1 73 73 PRO CA C 13 63.298 0.300 . 1 . . . . 73 PRO CA . 11153 1 829 . 1 1 73 73 PRO CB C 13 32.154 0.300 . 1 . . . . 73 PRO CB . 11153 1 830 . 1 1 73 73 PRO CD C 13 49.832 0.300 . 1 . . . . 73 PRO CD . 11153 1 831 . 1 1 73 73 PRO CG C 13 27.205 0.300 . 1 . . . . 73 PRO CG . 11153 1 832 . 1 1 74 74 SER H H 1 8.539 0.030 . 1 . . . . 74 SER H . 11153 1 833 . 1 1 74 74 SER N N 15 116.330 0.300 . 1 . . . . 74 SER N . 11153 1 stop_ save_