data_5465 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5465 _Entry.Title ; NMR solution structure of human Saposin C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-07-16 _Entry.Accession_date 2002-07-16 _Entry.Last_release_date 2002-07-16 _Entry.Original_release_date 2002-07-16 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 E. 'de Alba' . . . . 5465 2 S. Weiler . . . . 5465 3 N. Tjandra . . . . 5465 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5465 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 380 5465 '15N chemical shifts' 82 5465 '1H chemical shifts' 610 5465 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 . . 2004-03-15 . original BMRB . 5465 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1M12 'BMRB Entry Tracking System' 5465 PDB 1SN6 'BMRB Entry Tracking System' 5465 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5465 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14674747 _Citation.Full_citation . _Citation.Title ; Solution structure of human saposin C: pH-dependent interaction with phospholipid vesicles. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 50 _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 14729 _Citation.Page_last 14740 _Citation.Year 2003 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 E. 'de Alba' . . . . 5465 1 2 S. Weiler . . . . 5465 1 3 N. Tjandra . . . . 5465 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID alpha-helices 5465 1 'disulfide bridges' 5465 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SAPOSIN_C _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SAPOSIN_C _Assembly.Entry_ID 5465 _Assembly.ID 1 _Assembly.Name 'SAPOSIN C' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all disulfide bound' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5465 1 stop_ 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 'SAPOSIN C' 1 $SAPOSIN_C . . . native . . . . . 5465 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_asym_ID_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_asym_ID_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 5 5 SG . 1 . 1 CYS 78 78 SG . . . . . . . . . . . . 5465 1 2 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . . . 5465 1 3 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . . . 5465 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 1M12 . . . . . . 5465 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SAPOSIN C' abbreviation 5465 1 'SAPOSIN C' system 5465 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SAPOSIN_C _Entity.Sf_category entity _Entity.Sf_framecode SAPOSIN_C _Entity.Entry_ID 5465 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SAPOSIN C' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SDVYCEVCEFLVKEVTKLID NNKTEKEILDAFDKMCSKLP KSLSEECQEVVDTYGSSILS ILLEEVSPELVCSMLHLCSG LVPR ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all disulfide bound' _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 2008-08-19 _Entity.DB_query_revised_last_date 2008-08-19 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 5951 . 'saposin C' . . . . . 95.24 87 100.00 100.00 3.23e-37 . . . . 5465 1 2 no BMRB 6158 . 'saposin C' . . . . . 100.00 84 100.00 100.00 1.81e-39 . . . . 5465 1 3 no PDB 1M12 . 'Nmr Solution Structure Of Human Saposin C' . . . . . 98.81 84 100.00 100.00 1.18e-38 . . . . 5465 1 4 no PDB 1SN6 . 'Nmr Solution Structure Of Human Saposin C In Sds Micelles' . . . . . 98.81 84 100.00 100.00 1.18e-38 . . . . 5465 1 5 no PDB 2GTG . 'Crystal Structure Of Human Saposin C' . . . . . 95.24 83 100.00 100.00 5.46e-37 . . . . 5465 1 6 no PDB 2QYP . 'Orthorhombic Crystal Structure Of Human Saposin C Dimer In Open Conformation' . . . . . 95.24 91 100.00 100.00 2.47e-37 . . . . 5465 1 7 no PDB 2Z9A . 'Crystal Structure Of Human Saposin C Dimer In Open Conformation' . . . . . 94.05 88 100.00 100.00 2.07e-36 . . . . 5465 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SAPOSIN C' abbreviation 5465 1 'SAPOSIN C' common 5465 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 . SER . 5465 1 2 . ASP . 5465 1 3 . VAL . 5465 1 4 . TYR . 5465 1 5 . CYS . 5465 1 6 . GLU . 5465 1 7 . VAL . 5465 1 8 . CYS . 5465 1 9 . GLU . 5465 1 10 . PHE . 5465 1 11 . LEU . 5465 1 12 . VAL . 5465 1 13 . LYS . 5465 1 14 . GLU . 5465 1 15 . VAL . 5465 1 16 . THR . 5465 1 17 . LYS . 5465 1 18 . LEU . 5465 1 19 . ILE . 5465 1 20 . ASP . 5465 1 21 . ASN . 5465 1 22 . ASN . 5465 1 23 . LYS . 5465 1 24 . THR . 5465 1 25 . GLU . 5465 1 26 . LYS . 5465 1 27 . GLU . 5465 1 28 . ILE . 5465 1 29 . LEU . 5465 1 30 . ASP . 5465 1 31 . ALA . 5465 1 32 . PHE . 5465 1 33 . ASP . 5465 1 34 . LYS . 5465 1 35 . MET . 5465 1 36 . CYS . 5465 1 37 . SER . 5465 1 38 . LYS . 5465 1 39 . LEU . 5465 1 40 . PRO . 5465 1 41 . LYS . 5465 1 42 . SER . 5465 1 43 . LEU . 5465 1 44 . SER . 5465 1 45 . GLU . 5465 1 46 . GLU . 5465 1 47 . CYS . 5465 1 48 . GLN . 5465 1 49 . GLU . 5465 1 50 . VAL . 5465 1 51 . VAL . 5465 1 52 . ASP . 5465 1 53 . THR . 5465 1 54 . TYR . 5465 1 55 . GLY . 5465 1 56 . SER . 5465 1 57 . SER . 5465 1 58 . ILE . 5465 1 59 . LEU . 5465 1 60 . SER . 5465 1 61 . ILE . 5465 1 62 . LEU . 5465 1 63 . LEU . 5465 1 64 . GLU . 5465 1 65 . GLU . 5465 1 66 . VAL . 5465 1 67 . SER . 5465 1 68 . PRO . 5465 1 69 . GLU . 5465 1 70 . LEU . 5465 1 71 . VAL . 5465 1 72 . CYS . 5465 1 73 . SER . 5465 1 74 . MET . 5465 1 75 . LEU . 5465 1 76 . HIS . 5465 1 77 . LEU . 5465 1 78 . CYS . 5465 1 79 . SER . 5465 1 80 . GLY . 5465 1 81 . LEU . 5465 1 82 . VAL . 5465 1 83 . PRO . 5465 1 84 . ARG . 5465 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 . SER 1 1 5465 1 . ASP 2 2 5465 1 . VAL 3 3 5465 1 . TYR 4 4 5465 1 . CYS 5 5 5465 1 . GLU 6 6 5465 1 . VAL 7 7 5465 1 . CYS 8 8 5465 1 . GLU 9 9 5465 1 . PHE 10 10 5465 1 . LEU 11 11 5465 1 . VAL 12 12 5465 1 . LYS 13 13 5465 1 . GLU 14 14 5465 1 . VAL 15 15 5465 1 . THR 16 16 5465 1 . LYS 17 17 5465 1 . LEU 18 18 5465 1 . ILE 19 19 5465 1 . ASP 20 20 5465 1 . ASN 21 21 5465 1 . ASN 22 22 5465 1 . LYS 23 23 5465 1 . THR 24 24 5465 1 . GLU 25 25 5465 1 . LYS 26 26 5465 1 . GLU 27 27 5465 1 . ILE 28 28 5465 1 . LEU 29 29 5465 1 . ASP 30 30 5465 1 . ALA 31 31 5465 1 . PHE 32 32 5465 1 . ASP 33 33 5465 1 . LYS 34 34 5465 1 . MET 35 35 5465 1 . CYS 36 36 5465 1 . SER 37 37 5465 1 . LYS 38 38 5465 1 . LEU 39 39 5465 1 . PRO 40 40 5465 1 . LYS 41 41 5465 1 . SER 42 42 5465 1 . LEU 43 43 5465 1 . SER 44 44 5465 1 . GLU 45 45 5465 1 . GLU 46 46 5465 1 . CYS 47 47 5465 1 . GLN 48 48 5465 1 . GLU 49 49 5465 1 . VAL 50 50 5465 1 . VAL 51 51 5465 1 . ASP 52 52 5465 1 . THR 53 53 5465 1 . TYR 54 54 5465 1 . GLY 55 55 5465 1 . SER 56 56 5465 1 . SER 57 57 5465 1 . ILE 58 58 5465 1 . LEU 59 59 5465 1 . SER 60 60 5465 1 . ILE 61 61 5465 1 . LEU 62 62 5465 1 . LEU 63 63 5465 1 . GLU 64 64 5465 1 . GLU 65 65 5465 1 . VAL 66 66 5465 1 . SER 67 67 5465 1 . PRO 68 68 5465 1 . GLU 69 69 5465 1 . LEU 70 70 5465 1 . VAL 71 71 5465 1 . CYS 72 72 5465 1 . SER 73 73 5465 1 . MET 74 74 5465 1 . LEU 75 75 5465 1 . HIS 76 76 5465 1 . LEU 77 77 5465 1 . CYS 78 78 5465 1 . SER 79 79 5465 1 . GLY 80 80 5465 1 . LEU 81 81 5465 1 . VAL 82 82 5465 1 . PRO 83 83 5465 1 . ARG 84 84 5465 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 5465 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SAPOSIN_C . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5465 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 5465 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SAPOSIN_C . 'recombinant technology' . . . . . . . . . . . . . . . . 5465 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5465 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'SAPOSIN C' [U-15N] . . 1 $SAPOSIN_C . . 1 . . mM . . . . 5465 1 2 NaCl . . . . . . . . 10 20 mM . . . . 5465 1 3 H20 . . . . . . . 90 . . % . . . . 5465 1 4 D20 . . . . . . . 10 . . % . . . . 5465 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5465 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'SAPOSIN C' '[U-13C; U-15N]' . . 1 $SAPOSIN_C . . 1 . . mM . . . . 5465 2 2 NaCl . . . . . . . . 10 20 mM . . . . 5465 2 3 H20 . . . . . . . 90 . . % . . . . 5465 2 4 D20 . . . . . . . 10 . . % . . . . 5465 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 5465 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'SAPOSIN C' '[U-13C; U-15N]' . . 1 $SAPOSIN_C . . 1 . . mM . . . . 5465 3 2 NaCl . . . . . . . . 10 20 mM . . . . 5465 3 3 D20 . . . . . . . 100 . . % . . . . 5465 3 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5465 _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' 15 5 mM 5465 1 pH 6.8 . n/a 5465 1 pressure 1 . atm 5465 1 temperature 298 . K 5465 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5465 _Software.ID 1 _Software.Type . _Software.Name xwinnmr _Software.Version 2.5 _Software.DOI . _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5465 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5465 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version 2.1 _Software.DOI . _Software.Details Delagio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5465 2 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 5465 _Software.ID 3 _Software.Type . _Software.Name PIPP _Software.Version 4.2.8 _Software.DOI . _Software.Details Garrett loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5465 3 stop_ save_ save_X-PLOR _Software.Sf_category software _Software.Sf_framecode X-PLOR _Software.Entry_ID 5465 _Software.ID 4 _Software.Type . _Software.Name X-PLOR _Software.Version 3.840 _Software.DOI . _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5465 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5465 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5465 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5465 _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 NMR_spectrometer_1 Bruker DRX . 800 . . . 5465 1 2 NMR_spectrometer_2 Bruker DMX . 600 . . . 5465 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 5465 _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' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5465 1 2 '4D 13C/15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5465 1 3 '4D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5465 1 4 '3D 13C-separated TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5465 1 5 CBCACONH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5465 1 6 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5465 1 7 'experiments for residual dipolar coupling measurements' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5465 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5465 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 'sodium acetate' . . . . . ppm . . . 1.0 . . . . . 5465 1 H 1 TSP . . . . . ppm . . . 1.0 . . . . . 5465 1 N 15 urea . . . . . ppm . . . 1.0 . . . . . 5465 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5465 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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' . . . 5465 1 2 '4D 13C/15N-separated NOESY' . . . 5465 1 3 '4D 13C-separated NOESY' . . . 5465 1 4 '3D 13C-separated TOCSY' . . . 5465 1 5 CBCACONH . . . 5465 1 6 HNCACB . . . 5465 1 7 'experiments for residual dipolar coupling measurements' . . . 5465 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER CA C 13 58.2900 0.15 . 1 . . . . . . . . . 5465 1 2 . 1 1 1 1 SER CB C 13 64.0700 0.15 . 1 . . . . . . . . . 5465 1 3 . 1 1 1 1 SER HA H 1 4.4420 0.05 . 1 . . . . . . . . . 5465 1 4 . 1 1 1 1 SER HB2 H 1 3.8480 0.05 . 1 . . . . . . . . . 5465 1 5 . 1 1 1 1 SER HB3 H 1 3.8480 0.05 . 1 . . . . . . . . . 5465 1 6 . 1 1 1 1 SER C C 13 174.8586 0.15 . 1 . . . . . . . . . 5465 1 7 . 1 1 2 2 ASP CA C 13 54.4000 0.15 . 1 . . . . . . . . . 5465 1 8 . 1 1 2 2 ASP CB C 13 41.2700 0.15 . 1 . . . . . . . . . 5465 1 9 . 1 1 2 2 ASP HA H 1 4.7950 0.05 . 1 . . . . . . . . . 5465 1 10 . 1 1 2 2 ASP HB2 H 1 2.8630 0.05 . 1 . . . . . . . . . 5465 1 11 . 1 1 2 2 ASP HB3 H 1 2.7110 0.05 . 1 . . . . . . . . . 5465 1 12 . 1 1 2 2 ASP H H 1 8.6330 0.05 . 1 . . . . . . . . . 5465 1 13 . 1 1 2 2 ASP N N 15 122.8630 0.04 . 1 . . . . . . . . . 5465 1 14 . 1 1 2 2 ASP C C 13 176.9083 0.15 . 1 . . . . . . . . . 5465 1 15 . 1 1 3 3 VAL CA C 13 65.0700 0.15 . 1 . . . . . . . . . 5465 1 16 . 1 1 3 3 VAL CB C 13 32.0500 0.15 . 1 . . . . . . . . . 5465 1 17 . 1 1 3 3 VAL CG1 C 13 21.2100 0.15 . 1 . . . . . . . . . 5465 1 18 . 1 1 3 3 VAL CG2 C 13 20.9200 0.15 . 1 . . . . . . . . . 5465 1 19 . 1 1 3 3 VAL HA H 1 3.9600 0.05 . 1 . . . . . . . . . 5465 1 20 . 1 1 3 3 VAL HB H 1 1.9750 0.05 . 1 . . . . . . . . . 5465 1 21 . 1 1 3 3 VAL HG11 H 1 0.8000 0.05 . 1 . . . . . . . . . 5465 1 22 . 1 1 3 3 VAL HG12 H 1 0.8000 0.05 . 1 . . . . . . . . . 5465 1 23 . 1 1 3 3 VAL HG13 H 1 0.8000 0.05 . 1 . . . . . . . . . 5465 1 24 . 1 1 3 3 VAL HG21 H 1 0.7000 0.05 . 1 . . . . . . . . . 5465 1 25 . 1 1 3 3 VAL HG22 H 1 0.7000 0.05 . 1 . . . . . . . . . 5465 1 26 . 1 1 3 3 VAL HG23 H 1 0.7000 0.05 . 1 . . . . . . . . . 5465 1 27 . 1 1 3 3 VAL H H 1 8.1800 0.05 . 1 . . . . . . . . . 5465 1 28 . 1 1 3 3 VAL N N 15 120.2080 0.04 . 1 . . . . . . . . . 5465 1 29 . 1 1 3 3 VAL C C 13 176.7032 0.15 . 1 . . . . . . . . . 5465 1 30 . 1 1 4 4 TYR CA C 13 61.3800 0.15 . 1 . . . . . . . . . 5465 1 31 . 1 1 4 4 TYR CB C 13 37.0500 0.15 . 1 . . . . . . . . . 5465 1 32 . 1 1 4 4 TYR CD1 C 13 131.8900 0.15 . 1 . . . . . . . . . 5465 1 33 . 1 1 4 4 TYR CD2 C 13 131.8900 0.15 . 1 . . . . . . . . . 5465 1 34 . 1 1 4 4 TYR CE1 C 13 118.4000 0.15 . 1 . . . . . . . . . 5465 1 35 . 1 1 4 4 TYR CE2 C 13 118.4000 0.15 . 1 . . . . . . . . . 5465 1 36 . 1 1 4 4 TYR HA H 1 4.1350 0.05 . 1 . . . . . . . . . 5465 1 37 . 1 1 4 4 TYR HB2 H 1 3.2150 0.05 . 1 . . . . . . . . . 5465 1 38 . 1 1 4 4 TYR HB3 H 1 2.9370 0.05 . 1 . . . . . . . . . 5465 1 39 . 1 1 4 4 TYR HD1 H 1 7.0900 0.05 . 1 . . . . . . . . . 5465 1 40 . 1 1 4 4 TYR HD2 H 1 7.0900 0.05 . 1 . . . . . . . . . 5465 1 41 . 1 1 4 4 TYR HE1 H 1 6.9300 0.05 . 1 . . . . . . . . . 5465 1 42 . 1 1 4 4 TYR HE2 H 1 6.9300 0.05 . 1 . . . . . . . . . 5465 1 43 . 1 1 4 4 TYR H H 1 8.0060 0.05 . 1 . . . . . . . . . 5465 1 44 . 1 1 4 4 TYR N N 15 118.5810 0.04 . 1 . . . . . . . . . 5465 1 45 . 1 1 4 4 TYR C C 13 177.5865 0.15 . 1 . . . . . . . . . 5465 1 46 . 1 1 5 5 CYS CA C 13 58.3200 0.15 . 1 . . . . . . . . . 5465 1 47 . 1 1 5 5 CYS CB C 13 37.8800 0.15 . 1 . . . . . . . . . 5465 1 48 . 1 1 5 5 CYS HA H 1 4.2780 0.05 . 1 . . . . . . . . . 5465 1 49 . 1 1 5 5 CYS HB2 H 1 3.8940 0.05 . 1 . . . . . . . . . 5465 1 50 . 1 1 5 5 CYS HB3 H 1 2.9840 0.05 . 1 . . . . . . . . . 5465 1 51 . 1 1 5 5 CYS H H 1 7.8520 0.05 . 1 . . . . . . . . . 5465 1 52 . 1 1 5 5 CYS N N 15 117.8300 0.04 . 1 . . . . . . . . . 5465 1 53 . 1 1 5 5 CYS C C 13 175.8801 0.15 . 1 . . . . . . . . . 5465 1 54 . 1 1 6 6 GLU CA C 13 59.8700 0.15 . 1 . . . . . . . . . 5465 1 55 . 1 1 6 6 GLU CB C 13 29.3800 0.15 . 1 . . . . . . . . . 5465 1 56 . 1 1 6 6 GLU CG C 13 36.2250 0.15 . 1 . . . . . . . . . 5465 1 57 . 1 1 6 6 GLU HA H 1 4.0260 0.05 . 1 . . . . . . . . . 5465 1 58 . 1 1 6 6 GLU HB2 H 1 2.0680 0.05 . 1 . . . . . . . . . 5465 1 59 . 1 1 6 6 GLU HB3 H 1 2.0680 0.05 . 1 . . . . . . . . . 5465 1 60 . 1 1 6 6 GLU HG2 H 1 2.3050 0.05 . 1 . . . . . . . . . 5465 1 61 . 1 1 6 6 GLU HG3 H 1 2.1660 0.05 . 1 . . . . . . . . . 5465 1 62 . 1 1 6 6 GLU H H 1 8.1520 0.05 . 1 . . . . . . . . . 5465 1 63 . 1 1 6 6 GLU N N 15 119.0660 0.04 . 1 . . . . . . . . . 5465 1 64 . 1 1 6 6 GLU C C 13 180.7923 0.15 . 1 . . . . . . . . . 5465 1 65 . 1 1 7 7 VAL CA C 13 66.4100 0.15 . 1 . . . . . . . . . 5465 1 66 . 1 1 7 7 VAL CB C 13 31.5400 0.15 . 1 . . . . . . . . . 5465 1 67 . 1 1 7 7 VAL CG1 C 13 22.7510 0.15 . 1 . . . . . . . . . 5465 1 68 . 1 1 7 7 VAL CG2 C 13 22.7510 0.15 . 1 . . . . . . . . . 5465 1 69 . 1 1 7 7 VAL HA H 1 3.8180 0.05 . 1 . . . . . . . . . 5465 1 70 . 1 1 7 7 VAL HB H 1 2.1140 0.05 . 1 . . . . . . . . . 5465 1 71 . 1 1 7 7 VAL HG11 H 1 1.0120 0.05 . 1 . . . . . . . . . 5465 1 72 . 1 1 7 7 VAL HG12 H 1 1.0120 0.05 . 1 . . . . . . . . . 5465 1 73 . 1 1 7 7 VAL HG13 H 1 1.0120 0.05 . 1 . . . . . . . . . 5465 1 74 . 1 1 7 7 VAL HG21 H 1 1.0120 0.05 . 1 . . . . . . . . . 5465 1 75 . 1 1 7 7 VAL HG22 H 1 1.0120 0.05 . 1 . . . . . . . . . 5465 1 76 . 1 1 7 7 VAL HG23 H 1 1.0120 0.05 . 1 . . . . . . . . . 5465 1 77 . 1 1 7 7 VAL H H 1 8.5750 0.05 . 1 . . . . . . . . . 5465 1 78 . 1 1 7 7 VAL N N 15 116.4360 0.04 . 1 . . . . . . . . . 5465 1 79 . 1 1 7 7 VAL C C 13 176.8347 0.15 . 1 . . . . . . . . . 5465 1 80 . 1 1 8 8 CYS CA C 13 62.5000 0.15 . 1 . . . . . . . . . 5465 1 81 . 1 1 8 8 CYS CB C 13 42.3500 0.15 . 1 . . . . . . . . . 5465 1 82 . 1 1 8 8 CYS HA H 1 3.9100 0.05 . 1 . . . . . . . . . 5465 1 83 . 1 1 8 8 CYS HB2 H 1 3.4970 0.05 . 1 . . . . . . . . . 5465 1 84 . 1 1 8 8 CYS HB3 H 1 3.1210 0.05 . 1 . . . . . . . . . 5465 1 85 . 1 1 8 8 CYS H H 1 8.3620 0.05 . 1 . . . . . . . . . 5465 1 86 . 1 1 8 8 CYS N N 15 120.6690 0.04 . 1 . . . . . . . . . 5465 1 87 . 1 1 8 8 CYS C C 13 175.3040 0.15 . 1 . . . . . . . . . 5465 1 88 . 1 1 9 9 GLU CA C 13 59.7200 0.15 . 1 . . . . . . . . . 5465 1 89 . 1 1 9 9 GLU CB C 13 29.3900 0.15 . 1 . . . . . . . . . 5465 1 90 . 1 1 9 9 GLU CG C 13 36.4480 0.15 . 1 . . . . . . . . . 5465 1 91 . 1 1 9 9 GLU HA H 1 4.0680 0.05 . 1 . . . . . . . . . 5465 1 92 . 1 1 9 9 GLU HB2 H 1 2.0340 0.05 . 1 . . . . . . . . . 5465 1 93 . 1 1 9 9 GLU HB3 H 1 2.0340 0.05 . 1 . . . . . . . . . 5465 1 94 . 1 1 9 9 GLU HG2 H 1 2.5020 0.05 . 1 . . . . . . . . . 5465 1 95 . 1 1 9 9 GLU HG3 H 1 2.3480 0.05 . 1 . . . . . . . . . 5465 1 96 . 1 1 9 9 GLU H H 1 8.7980 0.05 . 1 . . . . . . . . . 5465 1 97 . 1 1 9 9 GLU N N 15 119.1400 0.04 . 1 . . . . . . . . . 5465 1 98 . 1 1 9 9 GLU C C 13 179.9424 0.15 . 1 . . . . . . . . . 5465 1 99 . 1 1 10 10 PHE CA C 13 60.9800 0.15 . 1 . . . . . . . . . 5465 1 100 . 1 1 10 10 PHE CB C 13 38.7900 0.15 . 1 . . . . . . . . . 5465 1 101 . 1 1 10 10 PHE CD1 C 13 132.2100 0.15 . 1 . . . . . . . . . 5465 1 102 . 1 1 10 10 PHE CD2 C 13 132.2100 0.15 . 1 . . . . . . . . . 5465 1 103 . 1 1 10 10 PHE CE1 C 13 131.1500 0.15 . 1 . . . . . . . . . 5465 1 104 . 1 1 10 10 PHE CE2 C 13 131.1500 0.15 . 1 . . . . . . . . . 5465 1 105 . 1 1 10 10 PHE CZ C 13 130.1900 0.15 . 1 . . . . . . . . . 5465 1 106 . 1 1 10 10 PHE HA H 1 4.3630 0.05 . 1 . . . . . . . . . 5465 1 107 . 1 1 10 10 PHE HB2 H 1 3.4000 0.05 . 1 . . . . . . . . . 5465 1 108 . 1 1 10 10 PHE HB3 H 1 3.4000 0.05 . 1 . . . . . . . . . 5465 1 109 . 1 1 10 10 PHE HD1 H 1 7.2500 0.05 . 1 . . . . . . . . . 5465 1 110 . 1 1 10 10 PHE HD2 H 1 7.2500 0.05 . 1 . . . . . . . . . 5465 1 111 . 1 1 10 10 PHE HE1 H 1 7.1300 0.05 . 1 . . . . . . . . . 5465 1 112 . 1 1 10 10 PHE HE2 H 1 7.1300 0.05 . 1 . . . . . . . . . 5465 1 113 . 1 1 10 10 PHE HZ H 1 7.2750 0.05 . 1 . . . . . . . . . 5465 1 114 . 1 1 10 10 PHE H H 1 7.8170 0.05 . 1 . . . . . . . . . 5465 1 115 . 1 1 10 10 PHE N N 15 120.5600 0.04 . 1 . . . . . . . . . 5465 1 116 . 1 1 10 10 PHE C C 13 176.6680 0.15 . 1 . . . . . . . . . 5465 1 117 . 1 1 11 11 LEU CA C 13 57.8200 0.15 . 1 . . . . . . . . . 5465 1 118 . 1 1 11 11 LEU CB C 13 42.6100 0.15 . 1 . . . . . . . . . 5465 1 119 . 1 1 11 11 LEU CG C 13 27.1700 0.15 . 1 . . . . . . . . . 5465 1 120 . 1 1 11 11 LEU CD1 C 13 27.0100 0.15 . 1 . . . . . . . . . 5465 1 121 . 1 1 11 11 LEU CD2 C 13 23.2800 0.15 . 1 . . . . . . . . . 5465 1 122 . 1 1 11 11 LEU HA H 1 3.7290 0.05 . 1 . . . . . . . . . 5465 1 123 . 1 1 11 11 LEU HB2 H 1 2.1500 0.05 . 1 . . . . . . . . . 5465 1 124 . 1 1 11 11 LEU HB3 H 1 1.2790 0.05 . 1 . . . . . . . . . 5465 1 125 . 1 1 11 11 LEU HG H 1 2.1700 0.05 . 1 . . . . . . . . . 5465 1 126 . 1 1 11 11 LEU HD11 H 1 0.8100 0.05 . 1 . . . . . . . . . 5465 1 127 . 1 1 11 11 LEU HD12 H 1 0.8100 0.05 . 1 . . . . . . . . . 5465 1 128 . 1 1 11 11 LEU HD13 H 1 0.8100 0.05 . 1 . . . . . . . . . 5465 1 129 . 1 1 11 11 LEU HD21 H 1 0.9000 0.05 . 1 . . . . . . . . . 5465 1 130 . 1 1 11 11 LEU HD22 H 1 0.9000 0.05 . 1 . . . . . . . . . 5465 1 131 . 1 1 11 11 LEU HD23 H 1 0.9000 0.05 . 1 . . . . . . . . . 5465 1 132 . 1 1 11 11 LEU H H 1 8.4980 0.05 . 1 . . . . . . . . . 5465 1 133 . 1 1 11 11 LEU N N 15 120.4900 0.04 . 1 . . . . . . . . . 5465 1 134 . 1 1 11 11 LEU C C 13 179.1162 0.15 . 1 . . . . . . . . . 5465 1 135 . 1 1 12 12 VAL CA C 13 67.5500 0.15 . 1 . . . . . . . . . 5465 1 136 . 1 1 12 12 VAL CB C 13 31.9400 0.15 . 1 . . . . . . . . . 5465 1 137 . 1 1 12 12 VAL CG1 C 13 24.8200 0.15 . 1 . . . . . . . . . 5465 1 138 . 1 1 12 12 VAL CG2 C 13 22.1090 0.15 . 1 . . . . . . . . . 5465 1 139 . 1 1 12 12 VAL HA H 1 3.3530 0.05 . 1 . . . . . . . . . 5465 1 140 . 1 1 12 12 VAL HB H 1 2.1890 0.05 . 1 . . . . . . . . . 5465 1 141 . 1 1 12 12 VAL HG11 H 1 1.1870 0.05 . 1 . . . . . . . . . 5465 1 142 . 1 1 12 12 VAL HG12 H 1 1.1870 0.05 . 1 . . . . . . . . . 5465 1 143 . 1 1 12 12 VAL HG13 H 1 1.1870 0.05 . 1 . . . . . . . . . 5465 1 144 . 1 1 12 12 VAL HG21 H 1 1.0190 0.05 . 1 . . . . . . . . . 5465 1 145 . 1 1 12 12 VAL HG22 H 1 1.0190 0.05 . 1 . . . . . . . . . 5465 1 146 . 1 1 12 12 VAL HG23 H 1 1.0190 0.05 . 1 . . . . . . . . . 5465 1 147 . 1 1 12 12 VAL H H 1 8.7970 0.05 . 1 . . . . . . . . . 5465 1 148 . 1 1 12 12 VAL N N 15 118.3800 0.04 . 1 . . . . . . . . . 5465 1 149 . 1 1 12 12 VAL C C 13 178.8788 0.15 . 1 . . . . . . . . . 5465 1 150 . 1 1 13 13 LYS CA C 13 59.7900 0.15 . 1 . . . . . . . . . 5465 1 151 . 1 1 13 13 LYS CB C 13 32.0500 0.15 . 1 . . . . . . . . . 5465 1 152 . 1 1 13 13 LYS CG C 13 25.4860 0.15 . 1 . . . . . . . . . 5465 1 153 . 1 1 13 13 LYS CD C 13 28.7500 0.15 . 1 . . . . . . . . . 5465 1 154 . 1 1 13 13 LYS CE C 13 42.0000 0.15 . 1 . . . . . . . . . 5465 1 155 . 1 1 13 13 LYS HA H 1 3.9800 0.05 . 1 . . . . . . . . . 5465 1 156 . 1 1 13 13 LYS HB2 H 1 1.9800 0.05 . 1 . . . . . . . . . 5465 1 157 . 1 1 13 13 LYS HB3 H 1 1.8800 0.05 . 1 . . . . . . . . . 5465 1 158 . 1 1 13 13 LYS HG2 H 1 1.6100 0.05 . 1 . . . . . . . . . 5465 1 159 . 1 1 13 13 LYS HG3 H 1 1.4200 0.05 . 1 . . . . . . . . . 5465 1 160 . 1 1 13 13 LYS HD2 H 1 1.7000 0.05 . 1 . . . . . . . . . 5465 1 161 . 1 1 13 13 LYS HD3 H 1 1.7000 0.05 . 1 . . . . . . . . . 5465 1 162 . 1 1 13 13 LYS HE2 H 1 2.9800 0.05 . 1 . . . . . . . . . 5465 1 163 . 1 1 13 13 LYS HE3 H 1 2.9800 0.05 . 1 . . . . . . . . . 5465 1 164 . 1 1 13 13 LYS H H 1 7.6520 0.05 . 1 . . . . . . . . . 5465 1 165 . 1 1 13 13 LYS N N 15 120.0500 0.04 . 1 . . . . . . . . . 5465 1 166 . 1 1 13 13 LYS C C 13 179.5324 0.15 . 1 . . . . . . . . . 5465 1 167 . 1 1 14 14 GLU CA C 13 58.8600 0.15 . 1 . . . . . . . . . 5465 1 168 . 1 1 14 14 GLU CB C 13 29.9300 0.15 . 1 . . . . . . . . . 5465 1 169 . 1 1 14 14 GLU CG C 13 36.3750 0.15 . 1 . . . . . . . . . 5465 1 170 . 1 1 14 14 GLU HA H 1 3.7700 0.05 . 1 . . . . . . . . . 5465 1 171 . 1 1 14 14 GLU HB2 H 1 1.9510 0.05 . 1 . . . . . . . . . 5465 1 172 . 1 1 14 14 GLU HB3 H 1 1.9510 0.05 . 1 . . . . . . . . . 5465 1 173 . 1 1 14 14 GLU HG2 H 1 1.6470 0.05 . 1 . . . . . . . . . 5465 1 174 . 1 1 14 14 GLU HG3 H 1 1.6470 0.05 . 1 . . . . . . . . . 5465 1 175 . 1 1 14 14 GLU H H 1 8.0180 0.05 . 1 . . . . . . . . . 5465 1 176 . 1 1 14 14 GLU N N 15 118.6700 0.04 . 1 . . . . . . . . . 5465 1 177 . 1 1 14 14 GLU C C 13 179.8473 0.15 . 1 . . . . . . . . . 5465 1 178 . 1 1 15 15 VAL CA C 13 67.3000 0.15 . 1 . . . . . . . . . 5465 1 179 . 1 1 15 15 VAL CB C 13 31.0200 0.15 . 1 . . . . . . . . . 5465 1 180 . 1 1 15 15 VAL CG1 C 13 24.1400 0.15 . 1 . . . . . . . . . 5465 1 181 . 1 1 15 15 VAL CG2 C 13 24.6600 0.15 . 1 . . . . . . . . . 5465 1 182 . 1 1 15 15 VAL HA H 1 3.4160 0.05 . 1 . . . . . . . . . 5465 1 183 . 1 1 15 15 VAL HB H 1 2.0000 0.05 . 1 . . . . . . . . . 5465 1 184 . 1 1 15 15 VAL HG11 H 1 0.9230 0.05 . 1 . . . . . . . . . 5465 1 185 . 1 1 15 15 VAL HG12 H 1 0.9230 0.05 . 1 . . . . . . . . . 5465 1 186 . 1 1 15 15 VAL HG13 H 1 0.9230 0.05 . 1 . . . . . . . . . 5465 1 187 . 1 1 15 15 VAL HG21 H 1 0.9230 0.05 . 1 . . . . . . . . . 5465 1 188 . 1 1 15 15 VAL HG22 H 1 0.9230 0.05 . 1 . . . . . . . . . 5465 1 189 . 1 1 15 15 VAL HG23 H 1 0.9230 0.05 . 1 . . . . . . . . . 5465 1 190 . 1 1 15 15 VAL H H 1 8.8840 0.05 . 1 . . . . . . . . . 5465 1 191 . 1 1 15 15 VAL N N 15 120.0700 0.04 . 1 . . . . . . . . . 5465 1 192 . 1 1 15 15 VAL C C 13 178.0804 0.15 . 1 . . . . . . . . . 5465 1 193 . 1 1 16 16 THR CA C 13 67.36 0.15 . 1 . . . . . . . . . 5465 1 194 . 1 1 16 16 THR CB C 13 68.61 0.15 . 1 . . . . . . . . . 5465 1 195 . 1 1 16 16 THR CG2 C 13 21.9200 0.15 . 1 . . . . . . . . . 5465 1 196 . 1 1 16 16 THR HA H 1 4.2560 0.05 . 1 . . . . . . . . . 5465 1 197 . 1 1 16 16 THR HB H 1 3.8110 0.05 . 1 . . . . . . . . . 5465 1 198 . 1 1 16 16 THR HG21 H 1 1.2900 0.05 . 1 . . . . . . . . . 5465 1 199 . 1 1 16 16 THR HG22 H 1 1.2900 0.05 . 1 . . . . . . . . . 5465 1 200 . 1 1 16 16 THR HG23 H 1 1.2900 0.05 . 1 . . . . . . . . . 5465 1 201 . 1 1 16 16 THR H H 1 8.4850 0.05 . 1 . . . . . . . . . 5465 1 202 . 1 1 16 16 THR N N 15 114.7000 0.04 . 1 . . . . . . . . . 5465 1 203 . 1 1 16 16 THR C C 13 176.0020 0.15 . 1 . . . . . . . . . 5465 1 204 . 1 1 17 17 LYS CA C 13 59.5500 0.15 . 1 . . . . . . . . . 5465 1 205 . 1 1 17 17 LYS CB C 13 32.2400 0.15 . 1 . . . . . . . . . 5465 1 206 . 1 1 17 17 LYS CG C 13 25.0630 0.15 . 1 . . . . . . . . . 5465 1 207 . 1 1 17 17 LYS CD C 13 29.5020 0.15 . 1 . . . . . . . . . 5465 1 208 . 1 1 17 17 LYS CE C 13 41.9210 0.15 . 1 . . . . . . . . . 5465 1 209 . 1 1 17 17 LYS HA H 1 4.0590 0.05 . 1 . . . . . . . . . 5465 1 210 . 1 1 17 17 LYS HB2 H 1 1.8380 0.05 . 1 . . . . . . . . . 5465 1 211 . 1 1 17 17 LYS HB3 H 1 1.8380 0.05 . 1 . . . . . . . . . 5465 1 212 . 1 1 17 17 LYS HG2 H 1 1.5900 0.05 . 1 . . . . . . . . . 5465 1 213 . 1 1 17 17 LYS HG3 H 1 1.3920 0.05 . 1 . . . . . . . . . 5465 1 214 . 1 1 17 17 LYS HD2 H 1 1.6080 0.05 . 1 . . . . . . . . . 5465 1 215 . 1 1 17 17 LYS HD3 H 1 1.6080 0.05 . 1 . . . . . . . . . 5465 1 216 . 1 1 17 17 LYS HE2 H 1 2.8450 0.05 . 1 . . . . . . . . . 5465 1 217 . 1 1 17 17 LYS HE3 H 1 2.8450 0.05 . 1 . . . . . . . . . 5465 1 218 . 1 1 17 17 LYS H H 1 7.3010 0.05 . 1 . . . . . . . . . 5465 1 219 . 1 1 17 17 LYS N N 15 119.4300 0.04 . 1 . . . . . . . . . 5465 1 220 . 1 1 17 17 LYS C C 13 179.0115 0.15 . 1 . . . . . . . . . 5465 1 221 . 1 1 18 18 LEU CA C 13 57.9500 0.15 . 1 . . . . . . . . . 5465 1 222 . 1 1 18 18 LEU CB C 13 41.2600 0.15 . 1 . . . . . . . . . 5465 1 223 . 1 1 18 18 LEU CG C 13 26.8300 0.15 . 1 . . . . . . . . . 5465 1 224 . 1 1 18 18 LEU CD1 C 13 22.3300 0.15 . 1 . . . . . . . . . 5465 1 225 . 1 1 18 18 LEU CD2 C 13 27.2800 0.15 . 1 . . . . . . . . . 5465 1 226 . 1 1 18 18 LEU HA H 1 4.0010 0.05 . 1 . . . . . . . . . 5465 1 227 . 1 1 18 18 LEU HB2 H 1 1.9820 0.05 . 1 . . . . . . . . . 5465 1 228 . 1 1 18 18 LEU HB3 H 1 1.1170 0.05 . 1 . . . . . . . . . 5465 1 229 . 1 1 18 18 LEU HG H 1 1.8600 0.05 . 1 . . . . . . . . . 5465 1 230 . 1 1 18 18 LEU HD11 H 1 0.7350 0.05 . 1 . . . . . . . . . 5465 1 231 . 1 1 18 18 LEU HD12 H 1 0.7350 0.05 . 1 . . . . . . . . . 5465 1 232 . 1 1 18 18 LEU HD13 H 1 0.7350 0.05 . 1 . . . . . . . . . 5465 1 233 . 1 1 18 18 LEU HD21 H 1 0.7350 0.05 . 1 . . . . . . . . . 5465 1 234 . 1 1 18 18 LEU HD22 H 1 0.7350 0.05 . 1 . . . . . . . . . 5465 1 235 . 1 1 18 18 LEU HD23 H 1 0.7350 0.05 . 1 . . . . . . . . . 5465 1 236 . 1 1 18 18 LEU H H 1 7.2610 0.05 . 1 . . . . . . . . . 5465 1 237 . 1 1 18 18 LEU N N 15 118.1800 0.04 . 1 . . . . . . . . . 5465 1 238 . 1 1 18 18 LEU C C 13 179.4366 0.15 . 1 . . . . . . . . . 5465 1 239 . 1 1 19 19 ILE CA C 13 65.9600 0.15 . 1 . . . . . . . . . 5465 1 240 . 1 1 19 19 ILE CB C 13 38.1200 0.15 . 1 . . . . . . . . . 5465 1 241 . 1 1 19 19 ILE CG1 C 13 29.4000 0.15 . 1 . . . . . . . . . 5465 1 242 . 1 1 19 19 ILE CG2 C 13 16.7400 0.15 . 1 . . . . . . . . . 5465 1 243 . 1 1 19 19 ILE CD1 C 13 15.2300 0.15 . 1 . . . . . . . . . 5465 1 244 . 1 1 19 19 ILE HA H 1 3.6340 0.05 . 1 . . . . . . . . . 5465 1 245 . 1 1 19 19 ILE HB H 1 1.8930 0.05 . 1 . . . . . . . . . 5465 1 246 . 1 1 19 19 ILE HG12 H 1 1.7300 0.05 . 1 . . . . . . . . . 5465 1 247 . 1 1 19 19 ILE HG13 H 1 0.7940 0.05 . 1 . . . . . . . . . 5465 1 248 . 1 1 19 19 ILE HG21 H 1 0.9200 0.05 . 1 . . . . . . . . . 5465 1 249 . 1 1 19 19 ILE HG22 H 1 0.9200 0.05 . 1 . . . . . . . . . 5465 1 250 . 1 1 19 19 ILE HG23 H 1 0.9200 0.05 . 1 . . . . . . . . . 5465 1 251 . 1 1 19 19 ILE HD11 H 1 0.7500 0.05 . 1 . . . . . . . . . 5465 1 252 . 1 1 19 19 ILE HD12 H 1 0.7500 0.05 . 1 . . . . . . . . . 5465 1 253 . 1 1 19 19 ILE HD13 H 1 0.7500 0.05 . 1 . . . . . . . . . 5465 1 254 . 1 1 19 19 ILE H H 1 8.3740 0.05 . 1 . . . . . . . . . 5465 1 255 . 1 1 19 19 ILE N N 15 122.2200 0.04 . 1 . . . . . . . . . 5465 1 256 . 1 1 19 19 ILE C C 13 181.0975 0.15 . 1 . . . . . . . . . 5465 1 257 . 1 1 20 20 ASP CA C 13 56.7500 0.15 . 1 . . . . . . . . . 5465 1 258 . 1 1 20 20 ASP CB C 13 40.3400 0.15 . 1 . . . . . . . . . 5465 1 259 . 1 1 20 20 ASP HA H 1 4.4410 0.05 . 1 . . . . . . . . . 5465 1 260 . 1 1 20 20 ASP HB2 H 1 2.7800 0.05 . 1 . . . . . . . . . 5465 1 261 . 1 1 20 20 ASP HB3 H 1 2.6600 0.05 . 1 . . . . . . . . . 5465 1 262 . 1 1 20 20 ASP H H 1 8.5940 0.05 . 1 . . . . . . . . . 5465 1 263 . 1 1 20 20 ASP N N 15 121.7500 0.04 . 1 . . . . . . . . . 5465 1 264 . 1 1 20 20 ASP C C 13 176.8032 0.15 . 1 . . . . . . . . . 5465 1 265 . 1 1 21 21 ASN CA C 13 52.9200 0.15 . 1 . . . . . . . . . 5465 1 266 . 1 1 21 21 ASN CB C 13 39.2300 0.15 . 1 . . . . . . . . . 5465 1 267 . 1 1 21 21 ASN HA H 1 4.8370 0.05 . 1 . . . . . . . . . 5465 1 268 . 1 1 21 21 ASN HB2 H 1 2.9570 0.05 . 1 . . . . . . . . . 5465 1 269 . 1 1 21 21 ASN HB3 H 1 2.6520 0.05 . 1 . . . . . . . . . 5465 1 270 . 1 1 21 21 ASN ND2 N 15 111.4100 0.04 . 1 . . . . . . . . . 5465 1 271 . 1 1 21 21 ASN HD21 H 1 7.5900 0.05 . 1 . . . . . . . . . 5465 1 272 . 1 1 21 21 ASN HD22 H 1 6.9400 0.05 . 1 . . . . . . . . . 5465 1 273 . 1 1 21 21 ASN H H 1 7.4020 0.05 . 1 . . . . . . . . . 5465 1 274 . 1 1 21 21 ASN N N 15 116.0100 0.04 . 1 . . . . . . . . . 5465 1 275 . 1 1 21 21 ASN C C 13 173.8732 0.15 . 1 . . . . . . . . . 5465 1 276 . 1 1 22 22 ASN CA C 13 54.5800 0.15 . 1 . . . . . . . . . 5465 1 277 . 1 1 22 22 ASN CB C 13 36.9100 0.15 . 1 . . . . . . . . . 5465 1 278 . 1 1 22 22 ASN HA H 1 4.4650 0.05 . 1 . . . . . . . . . 5465 1 279 . 1 1 22 22 ASN HB2 H 1 3.0600 0.05 . 1 . . . . . . . . . 5465 1 280 . 1 1 22 22 ASN HB3 H 1 2.8380 0.05 . 1 . . . . . . . . . 5465 1 281 . 1 1 22 22 ASN ND2 N 15 112.2600 0.04 . 1 . . . . . . . . . 5465 1 282 . 1 1 22 22 ASN HD21 H 1 7.5900 0.05 . 1 . . . . . . . . . 5465 1 283 . 1 1 22 22 ASN HD22 H 1 6.8900 0.05 . 1 . . . . . . . . . 5465 1 284 . 1 1 22 22 ASN H H 1 8.2210 0.05 . 1 . . . . . . . . . 5465 1 285 . 1 1 22 22 ASN N N 15 112.9800 0.04 . 1 . . . . . . . . . 5465 1 286 . 1 1 22 22 ASN C C 13 175.0156 0.15 . 1 . . . . . . . . . 5465 1 287 . 1 1 23 23 LYS CA C 13 54.7000 0.15 . 1 . . . . . . . . . 5465 1 288 . 1 1 23 23 LYS CB C 13 31.5800 0.15 . 1 . . . . . . . . . 5465 1 289 . 1 1 23 23 LYS CG C 13 24.9960 0.15 . 1 . . . . . . . . . 5465 1 290 . 1 1 23 23 LYS CD C 13 27.8850 0.15 . 1 . . . . . . . . . 5465 1 291 . 1 1 23 23 LYS CE C 13 42.6250 0.15 . 1 . . . . . . . . . 5465 1 292 . 1 1 23 23 LYS HA H 1 4.5100 0.05 . 1 . . . . . . . . . 5465 1 293 . 1 1 23 23 LYS HB2 H 1 1.6710 0.05 . 1 . . . . . . . . . 5465 1 294 . 1 1 23 23 LYS HB3 H 1 1.4750 0.05 . 1 . . . . . . . . . 5465 1 295 . 1 1 23 23 LYS HG2 H 1 1.4300 0.05 . 1 . . . . . . . . . 5465 1 296 . 1 1 23 23 LYS HG3 H 1 1.4300 0.05 . 1 . . . . . . . . . 5465 1 297 . 1 1 23 23 LYS HD2 H 1 1.6100 0.05 . 1 . . . . . . . . . 5465 1 298 . 1 1 23 23 LYS HD3 H 1 1.4800 0.05 . 1 . . . . . . . . . 5465 1 299 . 1 1 23 23 LYS HE2 H 1 2.9000 0.05 . 1 . . . . . . . . . 5465 1 300 . 1 1 23 23 LYS HE3 H 1 2.8500 0.05 . 1 . . . . . . . . . 5465 1 301 . 1 1 23 23 LYS H H 1 7.6200 0.05 . 1 . . . . . . . . . 5465 1 302 . 1 1 23 23 LYS N N 15 116.7100 0.04 . 1 . . . . . . . . . 5465 1 303 . 1 1 23 23 LYS C C 13 176.6352 0.15 . 1 . . . . . . . . . 5465 1 304 . 1 1 24 24 THR CA C 13 60.6100 0.15 . 1 . . . . . . . . . 5465 1 305 . 1 1 24 24 THR CB C 13 71.5100 0.15 . 1 . . . . . . . . . 5465 1 306 . 1 1 24 24 THR CG2 C 13 21.9150 0.15 . 1 . . . . . . . . . 5465 1 307 . 1 1 24 24 THR HA H 1 4.3200 0.05 . 1 . . . . . . . . . 5465 1 308 . 1 1 24 24 THR HB H 1 4.6740 0.05 . 1 . . . . . . . . . 5465 1 309 . 1 1 24 24 THR HG21 H 1 1.3440 0.05 . 1 . . . . . . . . . 5465 1 310 . 1 1 24 24 THR HG22 H 1 1.3440 0.05 . 1 . . . . . . . . . 5465 1 311 . 1 1 24 24 THR HG23 H 1 1.3440 0.05 . 1 . . . . . . . . . 5465 1 312 . 1 1 24 24 THR H H 1 8.9350 0.05 . 1 . . . . . . . . . 5465 1 313 . 1 1 24 24 THR N N 15 111.8800 0.04 . 1 . . . . . . . . . 5465 1 314 . 1 1 24 24 THR C C 13 174.9594 0.15 . 1 . . . . . . . . . 5465 1 315 . 1 1 25 25 GLU CA C 13 60.6700 0.15 . 1 . . . . . . . . . 5465 1 316 . 1 1 25 25 GLU CB C 13 29.8500 0.15 . 1 . . . . . . . . . 5465 1 317 . 1 1 25 25 GLU CG C 13 36.4320 0.15 . 1 . . . . . . . . . 5465 1 318 . 1 1 25 25 GLU HA H 1 3.7470 0.05 . 1 . . . . . . . . . 5465 1 319 . 1 1 25 25 GLU HB2 H 1 2.0520 0.05 . 1 . . . . . . . . . 5465 1 320 . 1 1 25 25 GLU HB3 H 1 2.0520 0.05 . 1 . . . . . . . . . 5465 1 321 . 1 1 25 25 GLU HG2 H 1 2.2200 0.05 . 1 . . . . . . . . . 5465 1 322 . 1 1 25 25 GLU HG3 H 1 2.1200 0.05 . 1 . . . . . . . . . 5465 1 323 . 1 1 25 25 GLU H H 1 8.8190 0.05 . 1 . . . . . . . . . 5465 1 324 . 1 1 25 25 GLU N N 15 119.7200 0.04 . 1 . . . . . . . . . 5465 1 325 . 1 1 25 25 GLU C C 13 177.4261 0.15 . 1 . . . . . . . . . 5465 1 326 . 1 1 26 26 LYS CA C 13 59.2500 0.15 . 1 . . . . . . . . . 5465 1 327 . 1 1 26 26 LYS CB C 13 32.4500 0.15 . 1 . . . . . . . . . 5465 1 328 . 1 1 26 26 LYS CG C 13 24.8980 0.15 . 1 . . . . . . . . . 5465 1 329 . 1 1 26 26 LYS CD C 13 28.4610 0.15 . 1 . . . . . . . . . 5465 1 330 . 1 1 26 26 LYS CE C 13 42.5000 0.15 . 1 . . . . . . . . . 5465 1 331 . 1 1 26 26 LYS HA H 1 3.9100 0.05 . 1 . . . . . . . . . 5465 1 332 . 1 1 26 26 LYS HB2 H 1 1.8400 0.05 . 1 . . . . . . . . . 5465 1 333 . 1 1 26 26 LYS HB3 H 1 1.7100 0.05 . 1 . . . . . . . . . 5465 1 334 . 1 1 26 26 LYS HG2 H 1 1.4300 0.05 . 1 . . . . . . . . . 5465 1 335 . 1 1 26 26 LYS HG3 H 1 1.4300 0.05 . 1 . . . . . . . . . 5465 1 336 . 1 1 26 26 LYS HD2 H 1 1.6000 0.05 . 1 . . . . . . . . . 5465 1 337 . 1 1 26 26 LYS HD3 H 1 1.6000 0.05 . 1 . . . . . . . . . 5465 1 338 . 1 1 26 26 LYS HE2 H 1 2.9800 0.05 . 1 . . . . . . . . . 5465 1 339 . 1 1 26 26 LYS HE3 H 1 2.9800 0.05 . 1 . . . . . . . . . 5465 1 340 . 1 1 26 26 LYS H H 1 8.1250 0.05 . 1 . . . . . . . . . 5465 1 341 . 1 1 26 26 LYS N N 15 116.2300 0.04 . 1 . . . . . . . . . 5465 1 342 . 1 1 26 26 LYS C C 13 178.4772 0.15 . 1 . . . . . . . . . 5465 1 343 . 1 1 27 27 GLU CA C 13 59.0200 0.15 . 1 . . . . . . . . . 5465 1 344 . 1 1 27 27 GLU CB C 13 30.4100 0.15 . 1 . . . . . . . . . 5465 1 345 . 1 1 27 27 GLU CG C 13 38.0310 0.15 . 1 . . . . . . . . . 5465 1 346 . 1 1 27 27 GLU HA H 1 3.9940 0.05 . 1 . . . . . . . . . 5465 1 347 . 1 1 27 27 GLU HB2 H 1 2.3870 0.05 . 1 . . . . . . . . . 5465 1 348 . 1 1 27 27 GLU HB3 H 1 1.8500 0.05 . 1 . . . . . . . . . 5465 1 349 . 1 1 27 27 GLU HG2 H 1 2.3600 0.05 . 1 . . . . . . . . . 5465 1 350 . 1 1 27 27 GLU HG3 H 1 2.2300 0.05 . 1 . . . . . . . . . 5465 1 351 . 1 1 27 27 GLU H H 1 7.4830 0.05 . 1 . . . . . . . . . 5465 1 352 . 1 1 27 27 GLU N N 15 117.3300 0.04 . 1 . . . . . . . . . 5465 1 353 . 1 1 27 27 GLU C C 13 180.0317 0.15 . 1 . . . . . . . . . 5465 1 354 . 1 1 28 28 ILE CA C 13 66.0100 0.15 . 1 . . . . . . . . . 5465 1 355 . 1 1 28 28 ILE CB C 13 37.0100 0.15 . 1 . . . . . . . . . 5465 1 356 . 1 1 28 28 ILE CG1 C 13 29.7500 0.15 . 1 . . . . . . . . . 5465 1 357 . 1 1 28 28 ILE CG2 C 13 18.6770 0.15 . 1 . . . . . . . . . 5465 1 358 . 1 1 28 28 ILE CD1 C 13 14.1126 0.15 . 1 . . . . . . . . . 5465 1 359 . 1 1 28 28 ILE HA H 1 3.3590 0.05 . 1 . . . . . . . . . 5465 1 360 . 1 1 28 28 ILE HB H 1 1.7440 0.05 . 1 . . . . . . . . . 5465 1 361 . 1 1 28 28 ILE HG12 H 1 1.7430 0.05 . 1 . . . . . . . . . 5465 1 362 . 1 1 28 28 ILE HG13 H 1 0.6080 0.05 . 1 . . . . . . . . . 5465 1 363 . 1 1 28 28 ILE HG21 H 1 0.5700 0.05 . 1 . . . . . . . . . 5465 1 364 . 1 1 28 28 ILE HG22 H 1 0.5700 0.05 . 1 . . . . . . . . . 5465 1 365 . 1 1 28 28 ILE HG23 H 1 0.5700 0.05 . 1 . . . . . . . . . 5465 1 366 . 1 1 28 28 ILE HD11 H 1 0.5720 0.05 . 1 . . . . . . . . . 5465 1 367 . 1 1 28 28 ILE HD12 H 1 0.5720 0.05 . 1 . . . . . . . . . 5465 1 368 . 1 1 28 28 ILE HD13 H 1 0.5720 0.05 . 1 . . . . . . . . . 5465 1 369 . 1 1 28 28 ILE H H 1 8.3400 0.05 . 1 . . . . . . . . . 5465 1 370 . 1 1 28 28 ILE N N 15 121.9200 0.04 . 1 . . . . . . . . . 5465 1 371 . 1 1 28 28 ILE C C 13 176.7551 0.15 . 1 . . . . . . . . . 5465 1 372 . 1 1 29 29 LEU CA C 13 58.0700 0.15 . 1 . . . . . . . . . 5465 1 373 . 1 1 29 29 LEU CB C 13 41.2000 0.15 . 1 . . . . . . . . . 5465 1 374 . 1 1 29 29 LEU CG C 13 26.9800 0.15 . 1 . . . . . . . . . 5465 1 375 . 1 1 29 29 LEU CD1 C 13 22.9400 0.15 . 1 . . . . . . . . . 5465 1 376 . 1 1 29 29 LEU CD2 C 13 25.4700 0.15 . 1 . . . . . . . . . 5465 1 377 . 1 1 29 29 LEU HA H 1 3.8330 0.05 . 1 . . . . . . . . . 5465 1 378 . 1 1 29 29 LEU HB2 H 1 1.8390 0.05 . 1 . . . . . . . . . 5465 1 379 . 1 1 29 29 LEU HB3 H 1 1.4890 0.05 . 1 . . . . . . . . . 5465 1 380 . 1 1 29 29 LEU HG H 1 1.7400 0.05 . 1 . . . . . . . . . 5465 1 381 . 1 1 29 29 LEU HD11 H 1 0.8800 0.05 . 1 . . . . . . . . . 5465 1 382 . 1 1 29 29 LEU HD12 H 1 0.8800 0.05 . 1 . . . . . . . . . 5465 1 383 . 1 1 29 29 LEU HD13 H 1 0.8800 0.05 . 1 . . . . . . . . . 5465 1 384 . 1 1 29 29 LEU HD21 H 1 0.8800 0.05 . 1 . . . . . . . . . 5465 1 385 . 1 1 29 29 LEU HD22 H 1 0.8800 0.05 . 1 . . . . . . . . . 5465 1 386 . 1 1 29 29 LEU HD23 H 1 0.8800 0.05 . 1 . . . . . . . . . 5465 1 387 . 1 1 29 29 LEU H H 1 8.3220 0.05 . 1 . . . . . . . . . 5465 1 388 . 1 1 29 29 LEU N N 15 119.1200 0.04 . 1 . . . . . . . . . 5465 1 389 . 1 1 29 29 LEU C C 13 181.1355 0.15 . 1 . . . . . . . . . 5465 1 390 . 1 1 30 30 ASP CA C 13 56.6300 0.15 . 1 . . . . . . . . . 5465 1 391 . 1 1 30 30 ASP CB C 13 40.6600 0.15 . 1 . . . . . . . . . 5465 1 392 . 1 1 30 30 ASP HA H 1 4.4400 0.05 . 1 . . . . . . . . . 5465 1 393 . 1 1 30 30 ASP HB2 H 1 2.6730 0.05 . 1 . . . . . . . . . 5465 1 394 . 1 1 30 30 ASP HB3 H 1 2.6730 0.05 . 1 . . . . . . . . . 5465 1 395 . 1 1 30 30 ASP H H 1 7.9830 0.05 . 1 . . . . . . . . . 5465 1 396 . 1 1 30 30 ASP N N 15 117.9100 0.04 . 1 . . . . . . . . . 5465 1 397 . 1 1 30 30 ASP C C 13 177.8028 0.15 . 1 . . . . . . . . . 5465 1 398 . 1 1 31 31 ALA CA C 13 53.5800 0.15 . 1 . . . . . . . . . 5465 1 399 . 1 1 31 31 ALA CB C 13 18.6800 0.15 . 1 . . . . . . . . . 5465 1 400 . 1 1 31 31 ALA HA H 1 4.2620 0.05 . 1 . . . . . . . . . 5465 1 401 . 1 1 31 31 ALA HB1 H 1 1.4410 0.05 . 1 . . . . . . . . . 5465 1 402 . 1 1 31 31 ALA HB2 H 1 1.4410 0.05 . 1 . . . . . . . . . 5465 1 403 . 1 1 31 31 ALA HB3 H 1 1.4410 0.05 . 1 . . . . . . . . . 5465 1 404 . 1 1 31 31 ALA H H 1 7.7180 0.05 . 1 . . . . . . . . . 5465 1 405 . 1 1 31 31 ALA N N 15 121.7700 0.04 . 1 . . . . . . . . . 5465 1 406 . 1 1 31 31 ALA C C 13 180.4317 0.15 . 1 . . . . . . . . . 5465 1 407 . 1 1 32 32 PHE CA C 13 60.1100 0.15 . 1 . . . . . . . . . 5465 1 408 . 1 1 32 32 PHE CB C 13 38.4000 0.15 . 1 . . . . . . . . . 5465 1 409 . 1 1 32 32 PHE CD1 C 13 131.3440 0.15 . 1 . . . . . . . . . 5465 1 410 . 1 1 32 32 PHE CD2 C 13 131.3440 0.15 . 1 . . . . . . . . . 5465 1 411 . 1 1 32 32 PHE CE1 C 13 131.0600 0.15 . 1 . . . . . . . . . 5465 1 412 . 1 1 32 32 PHE CE2 C 13 131.0600 0.15 . 1 . . . . . . . . . 5465 1 413 . 1 1 32 32 PHE CZ C 13 129.8570 0.15 . 1 . . . . . . . . . 5465 1 414 . 1 1 32 32 PHE HA H 1 4.6090 0.05 . 1 . . . . . . . . . 5465 1 415 . 1 1 32 32 PHE HB2 H 1 3.3370 0.05 . 1 . . . . . . . . . 5465 1 416 . 1 1 32 32 PHE HB3 H 1 3.3370 0.05 . 1 . . . . . . . . . 5465 1 417 . 1 1 32 32 PHE HD1 H 1 7.4500 0.05 . 1 . . . . . . . . . 5465 1 418 . 1 1 32 32 PHE HD2 H 1 7.4500 0.05 . 1 . . . . . . . . . 5465 1 419 . 1 1 32 32 PHE HE1 H 1 7.0140 0.05 . 1 . . . . . . . . . 5465 1 420 . 1 1 32 32 PHE HE2 H 1 7.0140 0.05 . 1 . . . . . . . . . 5465 1 421 . 1 1 32 32 PHE HZ H 1 7.0160 0.05 . 1 . . . . . . . . . 5465 1 422 . 1 1 32 32 PHE H H 1 7.9230 0.05 . 1 . . . . . . . . . 5465 1 423 . 1 1 32 32 PHE N N 15 119.5600 0.04 . 1 . . . . . . . . . 5465 1 424 . 1 1 32 32 PHE C C 13 178.0746 0.15 . 1 . . . . . . . . . 5465 1 425 . 1 1 33 33 ASP CA C 13 57.1000 0.15 . 1 . . . . . . . . . 5465 1 426 . 1 1 33 33 ASP CB C 13 40.6600 0.15 . 1 . . . . . . . . . 5465 1 427 . 1 1 33 33 ASP HA H 1 4.5460 0.05 . 1 . . . . . . . . . 5465 1 428 . 1 1 33 33 ASP HB2 H 1 2.8800 0.05 . 1 . . . . . . . . . 5465 1 429 . 1 1 33 33 ASP HB3 H 1 2.7900 0.05 . 1 . . . . . . . . . 5465 1 430 . 1 1 33 33 ASP H H 1 8.0000 0.05 . 1 . . . . . . . . . 5465 1 431 . 1 1 33 33 ASP N N 15 116.7600 0.04 . 1 . . . . . . . . . 5465 1 432 . 1 1 33 33 ASP C C 13 177.4035 0.15 . 1 . . . . . . . . . 5465 1 433 . 1 1 34 34 LYS CA C 13 55.8500 0.15 . 1 . . . . . . . . . 5465 1 434 . 1 1 34 34 LYS CB C 13 33.4200 0.15 . 1 . . . . . . . . . 5465 1 435 . 1 1 34 34 LYS CG C 13 24.9220 0.15 . 1 . . . . . . . . . 5465 1 436 . 1 1 34 34 LYS CD C 13 28.8450 0.15 . 1 . . . . . . . . . 5465 1 437 . 1 1 34 34 LYS CE C 13 42.0100 0.15 . 1 . . . . . . . . . 5465 1 438 . 1 1 34 34 LYS HA H 1 4.6770 0.05 . 1 . . . . . . . . . 5465 1 439 . 1 1 34 34 LYS HB2 H 1 2.0750 0.05 . 1 . . . . . . . . . 5465 1 440 . 1 1 34 34 LYS HB3 H 1 1.7750 0.05 . 1 . . . . . . . . . 5465 1 441 . 1 1 34 34 LYS HG2 H 1 1.4900 0.05 . 1 . . . . . . . . . 5465 1 442 . 1 1 34 34 LYS HG3 H 1 1.4900 0.05 . 1 . . . . . . . . . 5465 1 443 . 1 1 34 34 LYS HD2 H 1 1.6700 0.05 . 1 . . . . . . . . . 5465 1 444 . 1 1 34 34 LYS HD3 H 1 1.6700 0.05 . 1 . . . . . . . . . 5465 1 445 . 1 1 34 34 LYS HE2 H 1 3.0000 0.05 . 1 . . . . . . . . . 5465 1 446 . 1 1 34 34 LYS HE3 H 1 3.0000 0.05 . 1 . . . . . . . . . 5465 1 447 . 1 1 34 34 LYS H H 1 7.5680 0.05 . 1 . . . . . . . . . 5465 1 448 . 1 1 34 34 LYS N N 15 115.5400 0.04 . 1 . . . . . . . . . 5465 1 449 . 1 1 34 34 LYS C C 13 178.7461 0.15 . 1 . . . . . . . . . 5465 1 450 . 1 1 35 35 MET CA C 13 60.1900 0.15 . 1 . . . . . . . . . 5465 1 451 . 1 1 35 35 MET CB C 13 33.5800 0.15 . 1 . . . . . . . . . 5465 1 452 . 1 1 35 35 MET CG C 13 33.0480 0.15 . 1 . . . . . . . . . 5465 1 453 . 1 1 35 35 MET CE C 13 17.5000 0.15 . 1 . . . . . . . . . 5465 1 454 . 1 1 35 35 MET HA H 1 4.1280 0.05 . 1 . . . . . . . . . 5465 1 455 . 1 1 35 35 MET HB2 H 1 2.3690 0.05 . 1 . . . . . . . . . 5465 1 456 . 1 1 35 35 MET HB3 H 1 1.9850 0.05 . 1 . . . . . . . . . 5465 1 457 . 1 1 35 35 MET HG2 H 1 2.6000 0.05 . 1 . . . . . . . . . 5465 1 458 . 1 1 35 35 MET HG3 H 1 2.7100 0.05 . 1 . . . . . . . . . 5465 1 459 . 1 1 35 35 MET HE1 H 1 1.6600 0.05 . 1 . . . . . . . . . 5465 1 460 . 1 1 35 35 MET HE2 H 1 1.6600 0.05 . 1 . . . . . . . . . 5465 1 461 . 1 1 35 35 MET HE3 H 1 1.6600 0.05 . 1 . . . . . . . . . 5465 1 462 . 1 1 35 35 MET H H 1 7.7230 0.05 . 1 . . . . . . . . . 5465 1 463 . 1 1 35 35 MET N N 15 121.2800 0.04 . 1 . . . . . . . . . 5465 1 464 . 1 1 35 35 MET C C 13 177.8878 0.15 . 1 . . . . . . . . . 5465 1 465 . 1 1 36 36 CYS CA C 13 56.8400 0.15 . 1 . . . . . . . . . 5465 1 466 . 1 1 36 36 CYS CB C 13 38.0000 0.15 . 1 . . . . . . . . . 5465 1 467 . 1 1 36 36 CYS HA H 1 4.5390 0.05 . 1 . . . . . . . . . 5465 1 468 . 1 1 36 36 CYS HB2 H 1 3.0230 0.05 . 1 . . . . . . . . . 5465 1 469 . 1 1 36 36 CYS HB3 H 1 3.0230 0.05 . 1 . . . . . . . . . 5465 1 470 . 1 1 36 36 CYS H H 1 8.7970 0.05 . 1 . . . . . . . . . 5465 1 471 . 1 1 36 36 CYS N N 15 113.5700 0.04 . 1 . . . . . . . . . 5465 1 472 . 1 1 36 36 CYS C C 13 176.9419 0.15 . 1 . . . . . . . . . 5465 1 473 . 1 1 37 37 SER CA C 13 60.6300 0.15 . 1 . . . . . . . . . 5465 1 474 . 1 1 37 37 SER CB C 13 63.1800 0.15 . 1 . . . . . . . . . 5465 1 475 . 1 1 37 37 SER HA H 1 4.3530 0.05 . 1 . . . . . . . . . 5465 1 476 . 1 1 37 37 SER HB2 H 1 4.0280 0.05 . 1 . . . . . . . . . 5465 1 477 . 1 1 37 37 SER HB3 H 1 4.0280 0.05 . 1 . . . . . . . . . 5465 1 478 . 1 1 37 37 SER H H 1 8.0160 0.05 . 1 . . . . . . . . . 5465 1 479 . 1 1 37 37 SER N N 15 115.2300 0.04 . 1 . . . . . . . . . 5465 1 480 . 1 1 37 37 SER C C 13 174.6357 0.15 . 1 . . . . . . . . . 5465 1 481 . 1 1 38 38 LYS CA C 13 56.9800 0.15 . 1 . . . . . . . . . 5465 1 482 . 1 1 38 38 LYS CB C 13 32.9200 0.15 . 1 . . . . . . . . . 5465 1 483 . 1 1 38 38 LYS CG C 13 25.6970 0.15 . 1 . . . . . . . . . 5465 1 484 . 1 1 38 38 LYS CD C 13 29.4950 0.15 . 1 . . . . . . . . . 5465 1 485 . 1 1 38 38 LYS CE C 13 41.9460 0.15 . 1 . . . . . . . . . 5465 1 486 . 1 1 38 38 LYS HA H 1 4.2820 0.05 . 1 . . . . . . . . . 5465 1 487 . 1 1 38 38 LYS HB2 H 1 2.0830 0.05 . 1 . . . . . . . . . 5465 1 488 . 1 1 38 38 LYS HB3 H 1 2.0830 0.05 . 1 . . . . . . . . . 5465 1 489 . 1 1 38 38 LYS HG2 H 1 1.7100 0.05 . 1 . . . . . . . . . 5465 1 490 . 1 1 38 38 LYS HG3 H 1 1.5200 0.05 . 1 . . . . . . . . . 5465 1 491 . 1 1 38 38 LYS HD2 H 1 1.7840 0.05 . 1 . . . . . . . . . 5465 1 492 . 1 1 38 38 LYS HD3 H 1 1.7840 0.05 . 1 . . . . . . . . . 5465 1 493 . 1 1 38 38 LYS HE2 H 1 3.0270 0.05 . 1 . . . . . . . . . 5465 1 494 . 1 1 38 38 LYS HE3 H 1 3.0270 0.05 . 1 . . . . . . . . . 5465 1 495 . 1 1 38 38 LYS H H 1 7.5740 0.05 . 1 . . . . . . . . . 5465 1 496 . 1 1 38 38 LYS N N 15 118.8900 0.04 . 1 . . . . . . . . . 5465 1 497 . 1 1 38 38 LYS C C 13 176.8346 0.15 . 1 . . . . . . . . . 5465 1 498 . 1 1 39 39 LEU CA C 13 52.5400 0.15 . 1 . . . . . . . . . 5465 1 499 . 1 1 39 39 LEU CB C 13 41.8600 0.15 . 1 . . . . . . . . . 5465 1 500 . 1 1 39 39 LEU CG C 13 27.1640 0.15 . 1 . . . . . . . . . 5465 1 501 . 1 1 39 39 LEU CD1 C 13 21.9340 0.15 . 1 . . . . . . . . . 5465 1 502 . 1 1 39 39 LEU CD2 C 13 26.6100 0.15 . 1 . . . . . . . . . 5465 1 503 . 1 1 39 39 LEU HA H 1 4.3610 0.05 . 1 . . . . . . . . . 5465 1 504 . 1 1 39 39 LEU HB2 H 1 1.5400 0.05 . 1 . . . . . . . . . 5465 1 505 . 1 1 39 39 LEU HB3 H 1 1.1900 0.05 . 1 . . . . . . . . . 5465 1 506 . 1 1 39 39 LEU HG H 1 0.8240 0.05 . 1 . . . . . . . . . 5465 1 507 . 1 1 39 39 LEU HD11 H 1 0.1140 0.05 . 1 . . . . . . . . . 5465 1 508 . 1 1 39 39 LEU HD12 H 1 0.1140 0.05 . 1 . . . . . . . . . 5465 1 509 . 1 1 39 39 LEU HD13 H 1 0.1140 0.05 . 1 . . . . . . . . . 5465 1 510 . 1 1 39 39 LEU HD21 H 1 0.6330 0.05 . 1 . . . . . . . . . 5465 1 511 . 1 1 39 39 LEU HD22 H 1 0.6330 0.05 . 1 . . . . . . . . . 5465 1 512 . 1 1 39 39 LEU HD23 H 1 0.6330 0.05 . 1 . . . . . . . . . 5465 1 513 . 1 1 39 39 LEU H H 1 7.1960 0.05 . 1 . . . . . . . . . 5465 1 514 . 1 1 39 39 LEU N N 15 119.9400 0.04 . 1 . . . . . . . . . 5465 1 515 . 1 1 40 40 PRO CA C 13 62.7400 0.15 . 1 . . . . . . . . . 5465 1 516 . 1 1 40 40 PRO CB C 13 32.2600 0.15 . 1 . . . . . . . . . 5465 1 517 . 1 1 40 40 PRO CG C 13 27.6890 0.15 . 1 . . . . . . . . . 5465 1 518 . 1 1 40 40 PRO CD C 13 50.4700 0.15 . 1 . . . . . . . . . 5465 1 519 . 1 1 40 40 PRO HA H 1 4.3990 0.05 . 1 . . . . . . . . . 5465 1 520 . 1 1 40 40 PRO HB2 H 1 2.3690 0.05 . 1 . . . . . . . . . 5465 1 521 . 1 1 40 40 PRO HB3 H 1 1.8560 0.05 . 1 . . . . . . . . . 5465 1 522 . 1 1 40 40 PRO HG2 H 1 1.9610 0.05 . 1 . . . . . . . . . 5465 1 523 . 1 1 40 40 PRO HG3 H 1 1.9610 0.05 . 1 . . . . . . . . . 5465 1 524 . 1 1 40 40 PRO HD2 H 1 3.6500 0.05 . 1 . . . . . . . . . 5465 1 525 . 1 1 40 40 PRO HD3 H 1 3.3000 0.05 . 1 . . . . . . . . . 5465 1 526 . 1 1 40 40 PRO C C 13 177.7148 0.15 . 1 . . . . . . . . . 5465 1 527 . 1 1 41 41 LYS CA C 13 58.7700 0.15 . 1 . . . . . . . . . 5465 1 528 . 1 1 41 41 LYS CB C 13 32.0000 0.15 . 1 . . . . . . . . . 5465 1 529 . 1 1 41 41 LYS CG C 13 24.6600 0.15 . 1 . . . . . . . . . 5465 1 530 . 1 1 41 41 LYS CD C 13 28.8060 0.15 . 1 . . . . . . . . . 5465 1 531 . 1 1 41 41 LYS CE C 13 41.8140 0.15 . 1 . . . . . . . . . 5465 1 532 . 1 1 41 41 LYS HA H 1 4.1270 0.05 . 1 . . . . . . . . . 5465 1 533 . 1 1 41 41 LYS HB2 H 1 1.8800 0.05 . 1 . . . . . . . . . 5465 1 534 . 1 1 41 41 LYS HB3 H 1 1.8800 0.05 . 1 . . . . . . . . . 5465 1 535 . 1 1 41 41 LYS HG2 H 1 1.5410 0.05 . 1 . . . . . . . . . 5465 1 536 . 1 1 41 41 LYS HG3 H 1 1.5410 0.05 . 1 . . . . . . . . . 5465 1 537 . 1 1 41 41 LYS HD2 H 1 1.7220 0.05 . 1 . . . . . . . . . 5465 1 538 . 1 1 41 41 LYS HD3 H 1 1.7220 0.05 . 1 . . . . . . . . . 5465 1 539 . 1 1 41 41 LYS HE2 H 1 3.0080 0.05 . 1 . . . . . . . . . 5465 1 540 . 1 1 41 41 LYS HE3 H 1 3.0080 0.05 . 1 . . . . . . . . . 5465 1 541 . 1 1 41 41 LYS H H 1 8.6850 0.05 . 1 . . . . . . . . . 5465 1 542 . 1 1 41 41 LYS N N 15 123.1500 0.04 . 1 . . . . . . . . . 5465 1 543 . 1 1 41 41 LYS C C 13 178.5020 0.15 . 1 . . . . . . . . . 5465 1 544 . 1 1 42 42 SER CA C 13 60.2800 0.15 . 1 . . . . . . . . . 5465 1 545 . 1 1 42 42 SER CB C 13 62.3100 0.15 . 1 . . . . . . . . . 5465 1 546 . 1 1 42 42 SER HA H 1 4.2360 0.05 . 1 . . . . . . . . . 5465 1 547 . 1 1 42 42 SER HB2 H 1 3.9180 0.05 . 1 . . . . . . . . . 5465 1 548 . 1 1 42 42 SER HB3 H 1 3.9180 0.05 . 1 . . . . . . . . . 5465 1 549 . 1 1 42 42 SER H H 1 8.0910 0.05 . 1 . . . . . . . . . 5465 1 550 . 1 1 42 42 SER N N 15 112.2400 0.04 . 1 . . . . . . . . . 5465 1 551 . 1 1 42 42 SER C C 13 175.0113 0.15 . 1 . . . . . . . . . 5465 1 552 . 1 1 43 43 LEU CA C 13 54.7400 0.15 . 1 . . . . . . . . . 5465 1 553 . 1 1 43 43 LEU CB C 13 44.2600 0.15 . 1 . . . . . . . . . 5465 1 554 . 1 1 43 43 LEU CG C 13 27.1300 0.15 . 1 . . . . . . . . . 5465 1 555 . 1 1 43 43 LEU CD1 C 13 25.9300 0.15 . 1 . . . . . . . . . 5465 1 556 . 1 1 43 43 LEU CD2 C 13 23.6800 0.15 . 1 . . . . . . . . . 5465 1 557 . 1 1 43 43 LEU HA H 1 4.7890 0.05 . 1 . . . . . . . . . 5465 1 558 . 1 1 43 43 LEU HB2 H 1 1.5460 0.05 . 1 . . . . . . . . . 5465 1 559 . 1 1 43 43 LEU HB3 H 1 1.5460 0.05 . 1 . . . . . . . . . 5465 1 560 . 1 1 43 43 LEU HG H 1 1.4300 0.05 . 1 . . . . . . . . . 5465 1 561 . 1 1 43 43 LEU HD11 H 1 0.7810 0.05 . 1 . . . . . . . . . 5465 1 562 . 1 1 43 43 LEU HD12 H 1 0.7810 0.05 . 1 . . . . . . . . . 5465 1 563 . 1 1 43 43 LEU HD13 H 1 0.7810 0.05 . 1 . . . . . . . . . 5465 1 564 . 1 1 43 43 LEU HD21 H 1 0.7660 0.05 . 1 . . . . . . . . . 5465 1 565 . 1 1 43 43 LEU HD22 H 1 0.7660 0.05 . 1 . . . . . . . . . 5465 1 566 . 1 1 43 43 LEU HD23 H 1 0.7660 0.05 . 1 . . . . . . . . . 5465 1 567 . 1 1 43 43 LEU H H 1 7.6270 0.05 . 1 . . . . . . . . . 5465 1 568 . 1 1 43 43 LEU N N 15 120.7000 0.04 . 1 . . . . . . . . . 5465 1 569 . 1 1 43 43 LEU C C 13 177.2635 0.15 . 1 . . . . . . . . . 5465 1 570 . 1 1 44 44 SER CA C 13 63.0590 0.15 . 1 . . . . . . . . . 5465 1 571 . 1 1 44 44 SER CB C 13 63.2590 0.15 . 1 . . . . . . . . . 5465 1 572 . 1 1 44 44 SER HA H 1 3.9250 0.05 . 1 . . . . . . . . . 5465 1 573 . 1 1 44 44 SER HB2 H 1 3.9957 0.05 . 1 . . . . . . . . . 5465 1 574 . 1 1 44 44 SER HB3 H 1 3.9957 0.05 . 1 . . . . . . . . . 5465 1 575 . 1 1 44 44 SER H H 1 7.7660 0.05 . 1 . . . . . . . . . 5465 1 576 . 1 1 44 44 SER N N 15 115.2000 0.04 . 1 . . . . . . . . . 5465 1 577 . 1 1 44 44 SER C C 13 177.0976 0.15 . 1 . . . . . . . . . 5465 1 578 . 1 1 45 45 GLU CA C 13 59.8500 0.15 . 1 . . . . . . . . . 5465 1 579 . 1 1 45 45 GLU CB C 13 28.9500 0.15 . 1 . . . . . . . . . 5465 1 580 . 1 1 45 45 GLU CG C 13 36.6900 0.15 . 1 . . . . . . . . . 5465 1 581 . 1 1 45 45 GLU HA H 1 4.0900 0.05 . 1 . . . . . . . . . 5465 1 582 . 1 1 45 45 GLU HB2 H 1 2.0210 0.05 . 1 . . . . . . . . . 5465 1 583 . 1 1 45 45 GLU HB3 H 1 2.0210 0.05 . 1 . . . . . . . . . 5465 1 584 . 1 1 45 45 GLU HG2 H 1 2.3800 0.05 . 1 . . . . . . . . . 5465 1 585 . 1 1 45 45 GLU HG3 H 1 2.2900 0.05 . 1 . . . . . . . . . 5465 1 586 . 1 1 45 45 GLU H H 1 8.7790 0.05 . 1 . . . . . . . . . 5465 1 587 . 1 1 45 45 GLU N N 15 122.9200 0.04 . 1 . . . . . . . . . 5465 1 588 . 1 1 45 45 GLU C C 13 179.4469 0.15 . 1 . . . . . . . . . 5465 1 589 . 1 1 46 46 GLU CA C 13 60.7000 0.15 . 1 . . . . . . . . . 5465 1 590 . 1 1 46 46 GLU CB C 13 28.5500 0.15 . 1 . . . . . . . . . 5465 1 591 . 1 1 46 46 GLU CG C 13 37.1410 0.15 . 1 . . . . . . . . . 5465 1 592 . 1 1 46 46 GLU HA H 1 4.1730 0.05 . 1 . . . . . . . . . 5465 1 593 . 1 1 46 46 GLU HB2 H 1 1.9690 0.05 . 1 . . . . . . . . . 5465 1 594 . 1 1 46 46 GLU HB3 H 1 1.4990 0.05 . 1 . . . . . . . . . 5465 1 595 . 1 1 46 46 GLU HG2 H 1 2.2030 0.05 . 1 . . . . . . . . . 5465 1 596 . 1 1 46 46 GLU HG3 H 1 2.2030 0.05 . 1 . . . . . . . . . 5465 1 597 . 1 1 46 46 GLU H H 1 9.2280 0.05 . 1 . . . . . . . . . 5465 1 598 . 1 1 46 46 GLU N N 15 121.5400 0.04 . 1 . . . . . . . . . 5465 1 599 . 1 1 46 46 GLU C C 13 178.2474 0.15 . 1 . . . . . . . . . 5465 1 600 . 1 1 47 47 CYS CA C 13 60.7100 0.15 . 1 . . . . . . . . . 5465 1 601 . 1 1 47 47 CYS CB C 13 37.7900 0.15 . 1 . . . . . . . . . 5465 1 602 . 1 1 47 47 CYS HA H 1 4.2030 0.05 . 1 . . . . . . . . . 5465 1 603 . 1 1 47 47 CYS HB2 H 1 3.4000 0.05 . 1 . . . . . . . . . 5465 1 604 . 1 1 47 47 CYS HB3 H 1 2.8040 0.05 . 1 . . . . . . . . . 5465 1 605 . 1 1 47 47 CYS H H 1 8.5200 0.05 . 1 . . . . . . . . . 5465 1 606 . 1 1 47 47 CYS N N 15 116.6400 0.04 . 1 . . . . . . . . . 5465 1 607 . 1 1 47 47 CYS C C 13 175.2959 0.15 . 1 . . . . . . . . . 5465 1 608 . 1 1 48 48 GLN CA C 13 58.2900 0.15 . 1 . . . . . . . . . 5465 1 609 . 1 1 48 48 GLN CB C 13 28.3200 0.15 . 1 . . . . . . . . . 5465 1 610 . 1 1 48 48 GLN CG C 13 33.6670 0.15 . 1 . . . . . . . . . 5465 1 611 . 1 1 48 48 GLN HA H 1 3.8070 0.05 . 1 . . . . . . . . . 5465 1 612 . 1 1 48 48 GLN HB2 H 1 2.1990 0.05 . 1 . . . . . . . . . 5465 1 613 . 1 1 48 48 GLN HB3 H 1 2.1990 0.05 . 1 . . . . . . . . . 5465 1 614 . 1 1 48 48 GLN HG2 H 1 2.5170 0.05 . 1 . . . . . . . . . 5465 1 615 . 1 1 48 48 GLN HG3 H 1 2.4110 0.05 . 1 . . . . . . . . . 5465 1 616 . 1 1 48 48 GLN H H 1 8.1280 0.05 . 1 . . . . . . . . . 5465 1 617 . 1 1 48 48 GLN N N 15 120.4600 0.04 . 1 . . . . . . . . . 5465 1 618 . 1 1 48 48 GLN C C 13 177.6216 0.15 . 1 . . . . . . . . . 5465 1 619 . 1 1 49 49 GLU CA C 13 59.3800 0.15 . 1 . . . . . . . . . 5465 1 620 . 1 1 49 49 GLU CB C 13 29.7000 0.15 . 1 . . . . . . . . . 5465 1 621 . 1 1 49 49 GLU CG C 13 35.9030 0.15 . 1 . . . . . . . . . 5465 1 622 . 1 1 49 49 GLU HA H 1 4.2030 0.05 . 1 . . . . . . . . . 5465 1 623 . 1 1 49 49 GLU HB2 H 1 2.3890 0.05 . 1 . . . . . . . . . 5465 1 624 . 1 1 49 49 GLU HB3 H 1 2.2460 0.05 . 1 . . . . . . . . . 5465 1 625 . 1 1 49 49 GLU HG2 H 1 2.5090 0.05 . 1 . . . . . . . . . 5465 1 626 . 1 1 49 49 GLU HG3 H 1 2.2980 0.05 . 1 . . . . . . . . . 5465 1 627 . 1 1 49 49 GLU H H 1 7.9180 0.05 . 1 . . . . . . . . . 5465 1 628 . 1 1 49 49 GLU N N 15 118.2800 0.04 . 1 . . . . . . . . . 5465 1 629 . 1 1 49 49 GLU C C 13 179.7585 0.15 . 1 . . . . . . . . . 5465 1 630 . 1 1 50 50 VAL CA C 13 67.0100 0.15 . 1 . . . . . . . . . 5465 1 631 . 1 1 50 50 VAL CB C 13 31.2000 0.15 . 1 . . . . . . . . . 5465 1 632 . 1 1 50 50 VAL CG1 C 13 23.9500 0.15 . 1 . . . . . . . . . 5465 1 633 . 1 1 50 50 VAL CG2 C 13 22.4480 0.15 . 1 . . . . . . . . . 5465 1 634 . 1 1 50 50 VAL HA H 1 3.8200 0.05 . 1 . . . . . . . . . 5465 1 635 . 1 1 50 50 VAL HB H 1 2.2110 0.05 . 1 . . . . . . . . . 5465 1 636 . 1 1 50 50 VAL HG11 H 1 1.1190 0.05 . 1 . . . . . . . . . 5465 1 637 . 1 1 50 50 VAL HG12 H 1 1.1190 0.05 . 1 . . . . . . . . . 5465 1 638 . 1 1 50 50 VAL HG13 H 1 1.1190 0.05 . 1 . . . . . . . . . 5465 1 639 . 1 1 50 50 VAL HG21 H 1 0.7640 0.05 . 1 . . . . . . . . . 5465 1 640 . 1 1 50 50 VAL HG22 H 1 0.7640 0.05 . 1 . . . . . . . . . 5465 1 641 . 1 1 50 50 VAL HG23 H 1 0.7640 0.05 . 1 . . . . . . . . . 5465 1 642 . 1 1 50 50 VAL H H 1 8.1440 0.05 . 1 . . . . . . . . . 5465 1 643 . 1 1 50 50 VAL N N 15 119.9700 0.04 . 1 . . . . . . . . . 5465 1 644 . 1 1 50 50 VAL C C 13 178.5168 0.15 . 1 . . . . . . . . . 5465 1 645 . 1 1 51 51 VAL CA C 13 68.0200 0.15 . 1 . . . . . . . . . 5465 1 646 . 1 1 51 51 VAL CB C 13 31.6200 0.15 . 1 . . . . . . . . . 5465 1 647 . 1 1 51 51 VAL CG1 C 13 24.9020 0.15 . 1 . . . . . . . . . 5465 1 648 . 1 1 51 51 VAL CG2 C 13 21.6040 0.15 . 1 . . . . . . . . . 5465 1 649 . 1 1 51 51 VAL HA H 1 3.0050 0.05 . 1 . . . . . . . . . 5465 1 650 . 1 1 51 51 VAL HB H 1 2.1240 0.05 . 1 . . . . . . . . . 5465 1 651 . 1 1 51 51 VAL HG11 H 1 1.0120 0.05 . 1 . . . . . . . . . 5465 1 652 . 1 1 51 51 VAL HG12 H 1 1.0120 0.05 . 1 . . . . . . . . . 5465 1 653 . 1 1 51 51 VAL HG13 H 1 1.0120 0.05 . 1 . . . . . . . . . 5465 1 654 . 1 1 51 51 VAL HG21 H 1 0.7500 0.05 . 1 . . . . . . . . . 5465 1 655 . 1 1 51 51 VAL HG22 H 1 0.7500 0.05 . 1 . . . . . . . . . 5465 1 656 . 1 1 51 51 VAL HG23 H 1 0.7500 0.05 . 1 . . . . . . . . . 5465 1 657 . 1 1 51 51 VAL H H 1 8.8810 0.05 . 1 . . . . . . . . . 5465 1 658 . 1 1 51 51 VAL N N 15 122.0600 0.04 . 1 . . . . . . . . . 5465 1 659 . 1 1 51 51 VAL C C 13 178.8683 0.15 . 1 . . . . . . . . . 5465 1 660 . 1 1 52 52 ASP CA C 13 57.5200 0.15 . 1 . . . . . . . . . 5465 1 661 . 1 1 52 52 ASP CB C 13 40.4800 0.15 . 1 . . . . . . . . . 5465 1 662 . 1 1 52 52 ASP HA H 1 4.3380 0.05 . 1 . . . . . . . . . 5465 1 663 . 1 1 52 52 ASP HB2 H 1 2.8190 0.05 . 1 . . . . . . . . . 5465 1 664 . 1 1 52 52 ASP HB3 H 1 2.6500 0.05 . 1 . . . . . . . . . 5465 1 665 . 1 1 52 52 ASP H H 1 8.7220 0.05 . 1 . . . . . . . . . 5465 1 666 . 1 1 52 52 ASP N N 15 119.9500 0.04 . 1 . . . . . . . . . 5465 1 667 . 1 1 52 52 ASP C C 13 178.2570 0.15 . 1 . . . . . . . . . 5465 1 668 . 1 1 53 53 THR CA C 13 65.3600 0.15 . 1 . . . . . . . . . 5465 1 669 . 1 1 53 53 THR CB C 13 69.7000 0.15 . 1 . . . . . . . . . 5465 1 670 . 1 1 53 53 THR CG2 C 13 21.1870 0.15 . 1 . . . . . . . . . 5465 1 671 . 1 1 53 53 THR HA H 1 3.9960 0.05 . 1 . . . . . . . . . 5465 1 672 . 1 1 53 53 THR HB H 1 3.7410 0.05 . 1 . . . . . . . . . 5465 1 673 . 1 1 53 53 THR HG21 H 1 0.4400 0.05 . 1 . . . . . . . . . 5465 1 674 . 1 1 53 53 THR HG22 H 1 0.4400 0.05 . 1 . . . . . . . . . 5465 1 675 . 1 1 53 53 THR HG23 H 1 0.4400 0.05 . 1 . . . . . . . . . 5465 1 676 . 1 1 53 53 THR H H 1 7.9900 0.05 . 1 . . . . . . . . . 5465 1 677 . 1 1 53 53 THR N N 15 112.8700 0.04 . 1 . . . . . . . . . 5465 1 678 . 1 1 53 53 THR C C 13 175.7413 0.15 . 1 . . . . . . . . . 5465 1 679 . 1 1 54 54 TYR CA C 13 58.9600 0.15 . 1 . . . . . . . . . 5465 1 680 . 1 1 54 54 TYR CB C 13 39.8100 0.15 . 1 . . . . . . . . . 5465 1 681 . 1 1 54 54 TYR CD1 C 13 133.4680 0.15 . 1 . . . . . . . . . 5465 1 682 . 1 1 54 54 TYR CD2 C 13 133.4680 0.15 . 1 . . . . . . . . . 5465 1 683 . 1 1 54 54 TYR CE1 C 13 118.6810 0.15 . 1 . . . . . . . . . 5465 1 684 . 1 1 54 54 TYR CE2 C 13 118.6810 0.15 . 1 . . . . . . . . . 5465 1 685 . 1 1 54 54 TYR HA H 1 4.7530 0.05 . 1 . . . . . . . . . 5465 1 686 . 1 1 54 54 TYR HB2 H 1 3.1780 0.05 . 1 . . . . . . . . . 5465 1 687 . 1 1 54 54 TYR HB3 H 1 2.7610 0.05 . 1 . . . . . . . . . 5465 1 688 . 1 1 54 54 TYR HD1 H 1 7.2090 0.05 . 1 . . . . . . . . . 5465 1 689 . 1 1 54 54 TYR HD2 H 1 7.2090 0.05 . 1 . . . . . . . . . 5465 1 690 . 1 1 54 54 TYR HE1 H 1 6.8860 0.05 . 1 . . . . . . . . . 5465 1 691 . 1 1 54 54 TYR HE2 H 1 6.8860 0.05 . 1 . . . . . . . . . 5465 1 692 . 1 1 54 54 TYR H H 1 8.9230 0.05 . 1 . . . . . . . . . 5465 1 693 . 1 1 54 54 TYR N N 15 116.7200 0.04 . 1 . . . . . . . . . 5465 1 694 . 1 1 54 54 TYR C C 13 176.4332 0.15 . 1 . . . . . . . . . 5465 1 695 . 1 1 55 55 GLY CA C 13 48.9700 0.15 . 1 . . . . . . . . . 5465 1 696 . 1 1 55 55 GLY HA2 H 1 3.5140 0.05 . 1 . . . . . . . . . 5465 1 697 . 1 1 55 55 GLY HA3 H 1 3.2170 0.05 . 1 . . . . . . . . . 5465 1 698 . 1 1 55 55 GLY H H 1 8.3200 0.05 . 1 . . . . . . . . . 5465 1 699 . 1 1 55 55 GLY N N 15 112.1700 0.04 . 1 . . . . . . . . . 5465 1 700 . 1 1 55 55 GLY C C 13 174.6329 0.15 . 1 . . . . . . . . . 5465 1 701 . 1 1 56 56 SER CA C 13 62.1200 0.15 . 1 . . . . . . . . . 5465 1 702 . 1 1 56 56 SER CB C 13 62.1200 0.15 . 1 . . . . . . . . . 5465 1 703 . 1 1 56 56 SER HA H 1 4.1800 0.05 . 1 . . . . . . . . . 5465 1 704 . 1 1 56 56 SER HB2 H 1 3.9800 0.05 . 1 . . . . . . . . . 5465 1 705 . 1 1 56 56 SER HB3 H 1 3.9100 0.05 . 1 . . . . . . . . . 5465 1 706 . 1 1 56 56 SER H H 1 8.7510 0.05 . 1 . . . . . . . . . 5465 1 707 . 1 1 56 56 SER N N 15 114.4200 0.04 . 1 . . . . . . . . . 5465 1 708 . 1 1 56 56 SER C C 13 177.0486 0.15 . 1 . . . . . . . . . 5465 1 709 . 1 1 57 57 SER CA C 13 62.2520 0.15 . 1 . . . . . . . . . 5465 1 710 . 1 1 57 57 SER CB C 13 63.1200 0.15 . 1 . . . . . . . . . 5465 1 711 . 1 1 57 57 SER HA H 1 4.4750 0.05 . 1 . . . . . . . . . 5465 1 712 . 1 1 57 57 SER HB2 H 1 4.1970 0.05 . 1 . . . . . . . . . 5465 1 713 . 1 1 57 57 SER HB3 H 1 3.9830 0.05 . 1 . . . . . . . . . 5465 1 714 . 1 1 57 57 SER H H 1 7.7750 0.05 . 1 . . . . . . . . . 5465 1 715 . 1 1 57 57 SER N N 15 120.1600 0.04 . 1 . . . . . . . . . 5465 1 716 . 1 1 57 57 SER C C 13 175.1368 0.15 . 1 . . . . . . . . . 5465 1 717 . 1 1 58 58 ILE CA C 13 66.3900 0.15 . 1 . . . . . . . . . 5465 1 718 . 1 1 58 58 ILE CB C 13 38.6600 0.15 . 1 . . . . . . . . . 5465 1 719 . 1 1 58 58 ILE CG1 C 13 30.1170 0.15 . 1 . . . . . . . . . 5465 1 720 . 1 1 58 58 ILE CG2 C 13 17.1960 0.15 . 1 . . . . . . . . . 5465 1 721 . 1 1 58 58 ILE CD1 C 13 13.9920 0.15 . 1 . . . . . . . . . 5465 1 722 . 1 1 58 58 ILE HA H 1 3.3810 0.05 . 1 . . . . . . . . . 5465 1 723 . 1 1 58 58 ILE HB H 1 2.1220 0.05 . 1 . . . . . . . . . 5465 1 724 . 1 1 58 58 ILE HG12 H 1 1.7370 0.05 . 1 . . . . . . . . . 5465 1 725 . 1 1 58 58 ILE HG13 H 1 0.6590 0.05 . 1 . . . . . . . . . 5465 1 726 . 1 1 58 58 ILE HG21 H 1 0.8700 0.05 . 1 . . . . . . . . . 5465 1 727 . 1 1 58 58 ILE HG22 H 1 0.8700 0.05 . 1 . . . . . . . . . 5465 1 728 . 1 1 58 58 ILE HG23 H 1 0.8700 0.05 . 1 . . . . . . . . . 5465 1 729 . 1 1 58 58 ILE HD11 H 1 0.6770 0.05 . 1 . . . . . . . . . 5465 1 730 . 1 1 58 58 ILE HD12 H 1 0.6770 0.05 . 1 . . . . . . . . . 5465 1 731 . 1 1 58 58 ILE HD13 H 1 0.6770 0.05 . 1 . . . . . . . . . 5465 1 732 . 1 1 58 58 ILE H H 1 8.5830 0.05 . 1 . . . . . . . . . 5465 1 733 . 1 1 58 58 ILE N N 15 122.2600 0.04 . 1 . . . . . . . . . 5465 1 734 . 1 1 58 58 ILE C C 13 176.7285 0.15 . 1 . . . . . . . . . 5465 1 735 . 1 1 59 59 LEU CA C 13 58.4400 0.15 . 1 . . . . . . . . . 5465 1 736 . 1 1 59 59 LEU CB C 13 42.3500 0.15 . 1 . . . . . . . . . 5465 1 737 . 1 1 59 59 LEU CG C 13 26.7100 0.15 . 1 . . . . . . . . . 5465 1 738 . 1 1 59 59 LEU CD1 C 13 26.4900 0.15 . 1 . . . . . . . . . 5465 1 739 . 1 1 59 59 LEU CD2 C 13 24.1400 0.15 . 1 . . . . . . . . . 5465 1 740 . 1 1 59 59 LEU HA H 1 4.0890 0.05 . 1 . . . . . . . . . 5465 1 741 . 1 1 59 59 LEU HB2 H 1 2.1900 0.05 . 1 . . . . . . . . . 5465 1 742 . 1 1 59 59 LEU HB3 H 1 1.5060 0.05 . 1 . . . . . . . . . 5465 1 743 . 1 1 59 59 LEU HG H 1 1.7000 0.05 . 1 . . . . . . . . . 5465 1 744 . 1 1 59 59 LEU HD11 H 1 0.9700 0.05 . 1 . . . . . . . . . 5465 1 745 . 1 1 59 59 LEU HD12 H 1 0.9700 0.05 . 1 . . . . . . . . . 5465 1 746 . 1 1 59 59 LEU HD13 H 1 0.9700 0.05 . 1 . . . . . . . . . 5465 1 747 . 1 1 59 59 LEU HD21 H 1 0.9200 0.05 . 1 . . . . . . . . . 5465 1 748 . 1 1 59 59 LEU HD22 H 1 0.9200 0.05 . 1 . . . . . . . . . 5465 1 749 . 1 1 59 59 LEU HD23 H 1 0.9200 0.05 . 1 . . . . . . . . . 5465 1 750 . 1 1 59 59 LEU H H 1 7.8770 0.05 . 1 . . . . . . . . . 5465 1 751 . 1 1 59 59 LEU N N 15 116.3800 0.04 . 1 . . . . . . . . . 5465 1 752 . 1 1 59 59 LEU C C 13 177.1132 0.15 . 1 . . . . . . . . . 5465 1 753 . 1 1 60 60 SER CA C 13 62.8900 0.15 . 1 . . . . . . . . . 5465 1 754 . 1 1 60 60 SER CB C 13 62.8900 0.15 . 1 . . . . . . . . . 5465 1 755 . 1 1 60 60 SER HA H 1 4.0210 0.05 . 1 . . . . . . . . . 5465 1 756 . 1 1 60 60 SER HB2 H 1 4.0300 0.05 . 1 . . . . . . . . . 5465 1 757 . 1 1 60 60 SER HB3 H 1 4.0300 0.05 . 1 . . . . . . . . . 5465 1 758 . 1 1 60 60 SER H H 1 8.2080 0.05 . 1 . . . . . . . . . 5465 1 759 . 1 1 60 60 SER N N 15 112.3500 0.04 . 1 . . . . . . . . . 5465 1 760 . 1 1 60 60 SER C C 13 177.1230 0.15 . 1 . . . . . . . . . 5465 1 761 . 1 1 61 61 ILE CA C 13 65.4800 0.15 . 1 . . . . . . . . . 5465 1 762 . 1 1 61 61 ILE CB C 13 38.2200 0.15 . 1 . . . . . . . . . 5465 1 763 . 1 1 61 61 ILE CG1 C 13 29.3200 0.15 . 1 . . . . . . . . . 5465 1 764 . 1 1 61 61 ILE CG2 C 13 19.8140 0.15 . 1 . . . . . . . . . 5465 1 765 . 1 1 61 61 ILE CD1 C 13 14.1330 0.15 . 1 . . . . . . . . . 5465 1 766 . 1 1 61 61 ILE HA H 1 3.7780 0.05 . 1 . . . . . . . . . 5465 1 767 . 1 1 61 61 ILE HB H 1 1.7740 0.05 . 1 . . . . . . . . . 5465 1 768 . 1 1 61 61 ILE HG12 H 1 1.9200 0.05 . 1 . . . . . . . . . 5465 1 769 . 1 1 61 61 ILE HG13 H 1 0.9800 0.05 . 1 . . . . . . . . . 5465 1 770 . 1 1 61 61 ILE HG21 H 1 0.8700 0.05 . 1 . . . . . . . . . 5465 1 771 . 1 1 61 61 ILE HG22 H 1 0.8700 0.05 . 1 . . . . . . . . . 5465 1 772 . 1 1 61 61 ILE HG23 H 1 0.8700 0.05 . 1 . . . . . . . . . 5465 1 773 . 1 1 61 61 ILE HD11 H 1 0.8100 0.05 . 1 . . . . . . . . . 5465 1 774 . 1 1 61 61 ILE HD12 H 1 0.8100 0.05 . 1 . . . . . . . . . 5465 1 775 . 1 1 61 61 ILE HD13 H 1 0.8100 0.05 . 1 . . . . . . . . . 5465 1 776 . 1 1 61 61 ILE H H 1 8.2530 0.05 . 1 . . . . . . . . . 5465 1 777 . 1 1 61 61 ILE N N 15 120.9400 0.04 . 1 . . . . . . . . . 5465 1 778 . 1 1 61 61 ILE C C 13 178.7803 0.15 . 1 . . . . . . . . . 5465 1 779 . 1 1 62 62 LEU CA C 13 58.0000 0.15 . 1 . . . . . . . . . 5465 1 780 . 1 1 62 62 LEU CB C 13 41.7800 0.15 . 1 . . . . . . . . . 5465 1 781 . 1 1 62 62 LEU CG C 13 27.3100 0.15 . 1 . . . . . . . . . 5465 1 782 . 1 1 62 62 LEU CD1 C 13 27.9000 0.15 . 1 . . . . . . . . . 5465 1 783 . 1 1 62 62 LEU CD2 C 13 23.6900 0.15 . 1 . . . . . . . . . 5465 1 784 . 1 1 62 62 LEU HA H 1 4.1160 0.05 . 1 . . . . . . . . . 5465 1 785 . 1 1 62 62 LEU HB2 H 1 2.0190 0.05 . 1 . . . . . . . . . 5465 1 786 . 1 1 62 62 LEU HB3 H 1 1.2820 0.05 . 1 . . . . . . . . . 5465 1 787 . 1 1 62 62 LEU HG H 1 1.9230 0.05 . 1 . . . . . . . . . 5465 1 788 . 1 1 62 62 LEU HD11 H 1 0.9000 0.05 . 1 . . . . . . . . . 5465 1 789 . 1 1 62 62 LEU HD12 H 1 0.9000 0.05 . 1 . . . . . . . . . 5465 1 790 . 1 1 62 62 LEU HD13 H 1 0.9000 0.05 . 1 . . . . . . . . . 5465 1 791 . 1 1 62 62 LEU HD21 H 1 0.9000 0.05 . 1 . . . . . . . . . 5465 1 792 . 1 1 62 62 LEU HD22 H 1 0.9000 0.05 . 1 . . . . . . . . . 5465 1 793 . 1 1 62 62 LEU HD23 H 1 0.9000 0.05 . 1 . . . . . . . . . 5465 1 794 . 1 1 62 62 LEU H H 1 7.8940 0.05 . 1 . . . . . . . . . 5465 1 795 . 1 1 62 62 LEU N N 15 118.9300 0.04 . 1 . . . . . . . . . 5465 1 796 . 1 1 62 62 LEU C C 13 176.6680 0.15 . 1 . . . . . . . . . 5465 1 797 . 1 1 63 63 LEU CA C 13 57.1400 0.15 . 1 . . . . . . . . . 5465 1 798 . 1 1 63 63 LEU CB C 13 41.1700 0.15 . 1 . . . . . . . . . 5465 1 799 . 1 1 63 63 LEU CG C 13 26.8700 0.15 . 1 . . . . . . . . . 5465 1 800 . 1 1 63 63 LEU CD1 C 13 25.9100 0.15 . 1 . . . . . . . . . 5465 1 801 . 1 1 63 63 LEU CD2 C 13 22.0800 0.15 . 1 . . . . . . . . . 5465 1 802 . 1 1 63 63 LEU HA H 1 4.2490 0.05 . 1 . . . . . . . . . 5465 1 803 . 1 1 63 63 LEU HB2 H 1 1.9850 0.05 . 1 . . . . . . . . . 5465 1 804 . 1 1 63 63 LEU HB3 H 1 1.5530 0.05 . 1 . . . . . . . . . 5465 1 805 . 1 1 63 63 LEU HG H 1 1.8500 0.05 . 1 . . . . . . . . . 5465 1 806 . 1 1 63 63 LEU HD11 H 1 0.8450 0.05 . 1 . . . . . . . . . 5465 1 807 . 1 1 63 63 LEU HD12 H 1 0.8450 0.05 . 1 . . . . . . . . . 5465 1 808 . 1 1 63 63 LEU HD13 H 1 0.8450 0.05 . 1 . . . . . . . . . 5465 1 809 . 1 1 63 63 LEU HD21 H 1 0.8290 0.05 . 1 . . . . . . . . . 5465 1 810 . 1 1 63 63 LEU HD22 H 1 0.8290 0.05 . 1 . . . . . . . . . 5465 1 811 . 1 1 63 63 LEU HD23 H 1 0.8290 0.05 . 1 . . . . . . . . . 5465 1 812 . 1 1 63 63 LEU H H 1 8.5320 0.05 . 1 . . . . . . . . . 5465 1 813 . 1 1 63 63 LEU N N 15 120.7300 0.04 . 1 . . . . . . . . . 5465 1 814 . 1 1 63 63 LEU C C 13 178.5899 0.15 . 1 . . . . . . . . . 5465 1 815 . 1 1 64 64 GLU CA C 13 56.4680 0.15 . 1 . . . . . . . . . 5465 1 816 . 1 1 64 64 GLU CB C 13 28.9490 0.15 . 1 . . . . . . . . . 5465 1 817 . 1 1 64 64 GLU CG C 13 36.1270 0.15 . 1 . . . . . . . . . 5465 1 818 . 1 1 64 64 GLU HA H 1 4.3510 0.05 . 1 . . . . . . . . . 5465 1 819 . 1 1 64 64 GLU HB2 H 1 2.2840 0.05 . 1 . . . . . . . . . 5465 1 820 . 1 1 64 64 GLU HB3 H 1 2.2840 0.05 . 1 . . . . . . . . . 5465 1 821 . 1 1 64 64 GLU HG2 H 1 2.5570 0.05 . 1 . . . . . . . . . 5465 1 822 . 1 1 64 64 GLU HG3 H 1 2.3650 0.05 . 1 . . . . . . . . . 5465 1 823 . 1 1 64 64 GLU H H 1 7.5390 0.05 . 1 . . . . . . . . . 5465 1 824 . 1 1 64 64 GLU N N 15 119.1400 0.04 . 1 . . . . . . . . . 5465 1 825 . 1 1 64 64 GLU C C 13 175.7560 0.15 . 1 . . . . . . . . . 5465 1 826 . 1 1 65 65 GLU CA C 13 57.6700 0.15 . 1 . . . . . . . . . 5465 1 827 . 1 1 65 65 GLU CB C 13 26.0900 0.15 . 1 . . . . . . . . . 5465 1 828 . 1 1 65 65 GLU CG C 13 36.5000 0.15 . 1 . . . . . . . . . 5465 1 829 . 1 1 65 65 GLU HA H 1 3.9030 0.05 . 1 . . . . . . . . . 5465 1 830 . 1 1 65 65 GLU HB2 H 1 2.2920 0.05 . 1 . . . . . . . . . 5465 1 831 . 1 1 65 65 GLU HB3 H 1 2.2920 0.05 . 1 . . . . . . . . . 5465 1 832 . 1 1 65 65 GLU HG2 H 1 2.2100 0.05 . 1 . . . . . . . . . 5465 1 833 . 1 1 65 65 GLU HG3 H 1 2.2100 0.05 . 1 . . . . . . . . . 5465 1 834 . 1 1 65 65 GLU H H 1 7.9730 0.05 . 1 . . . . . . . . . 5465 1 835 . 1 1 65 65 GLU N N 15 111.4800 0.04 . 1 . . . . . . . . . 5465 1 836 . 1 1 65 65 GLU C C 13 175.6975 0.15 . 1 . . . . . . . . . 5465 1 837 . 1 1 66 66 VAL CA C 13 62.7300 0.15 . 1 . . . . . . . . . 5465 1 838 . 1 1 66 66 VAL CB C 13 32.4400 0.15 . 1 . . . . . . . . . 5465 1 839 . 1 1 66 66 VAL CG1 C 13 22.5700 0.15 . 1 . . . . . . . . . 5465 1 840 . 1 1 66 66 VAL CG2 C 13 21.5850 0.15 . 1 . . . . . . . . . 5465 1 841 . 1 1 66 66 VAL HA H 1 3.7560 0.05 . 1 . . . . . . . . . 5465 1 842 . 1 1 66 66 VAL HB H 1 1.6450 0.05 . 1 . . . . . . . . . 5465 1 843 . 1 1 66 66 VAL HG11 H 1 0.8920 0.05 . 1 . . . . . . . . . 5465 1 844 . 1 1 66 66 VAL HG12 H 1 0.8920 0.05 . 1 . . . . . . . . . 5465 1 845 . 1 1 66 66 VAL HG13 H 1 0.8920 0.05 . 1 . . . . . . . . . 5465 1 846 . 1 1 66 66 VAL HG21 H 1 0.8920 0.05 . 1 . . . . . . . . . 5465 1 847 . 1 1 66 66 VAL HG22 H 1 0.8920 0.05 . 1 . . . . . . . . . 5465 1 848 . 1 1 66 66 VAL HG23 H 1 0.8920 0.05 . 1 . . . . . . . . . 5465 1 849 . 1 1 66 66 VAL H H 1 6.8340 0.05 . 1 . . . . . . . . . 5465 1 850 . 1 1 66 66 VAL N N 15 120.4900 0.04 . 1 . . . . . . . . . 5465 1 851 . 1 1 66 66 VAL C C 13 175.5881 0.15 . 1 . . . . . . . . . 5465 1 852 . 1 1 67 67 SER CA C 13 56.8900 0.15 . 1 . . . . . . . . . 5465 1 853 . 1 1 67 67 SER CB C 13 63.5200 0.15 . 1 . . . . . . . . . 5465 1 854 . 1 1 67 67 SER HA H 1 4.4930 0.05 . 1 . . . . . . . . . 5465 1 855 . 1 1 67 67 SER HB2 H 1 3.8650 0.05 . 1 . . . . . . . . . 5465 1 856 . 1 1 67 67 SER HB3 H 1 3.8650 0.05 . 1 . . . . . . . . . 5465 1 857 . 1 1 67 67 SER H H 1 8.3480 0.05 . 1 . . . . . . . . . 5465 1 858 . 1 1 67 67 SER N N 15 122.2200 0.04 . 1 . . . . . . . . . 5465 1 859 . 1 1 68 68 PRO CA C 13 65.2600 0.15 . 1 . . . . . . . . . 5465 1 860 . 1 1 68 68 PRO CB C 13 32.2800 0.15 . 1 . . . . . . . . . 5465 1 861 . 1 1 68 68 PRO CG C 13 27.7100 0.15 . 1 . . . . . . . . . 5465 1 862 . 1 1 68 68 PRO CD C 13 51.2350 0.15 . 1 . . . . . . . . . 5465 1 863 . 1 1 68 68 PRO HA H 1 4.0310 0.05 . 1 . . . . . . . . . 5465 1 864 . 1 1 68 68 PRO HB2 H 1 2.0800 0.05 . 1 . . . . . . . . . 5465 1 865 . 1 1 68 68 PRO HB3 H 1 1.9420 0.05 . 1 . . . . . . . . . 5465 1 866 . 1 1 68 68 PRO HG2 H 1 2.1300 0.05 . 1 . . . . . . . . . 5465 1 867 . 1 1 68 68 PRO HG3 H 1 2.0300 0.05 . 1 . . . . . . . . . 5465 1 868 . 1 1 68 68 PRO HD2 H 1 3.8420 0.05 . 1 . . . . . . . . . 5465 1 869 . 1 1 68 68 PRO HD3 H 1 3.8420 0.05 . 1 . . . . . . . . . 5465 1 870 . 1 1 68 68 PRO C C 13 177.8116 0.15 . 1 . . . . . . . . . 5465 1 871 . 1 1 69 69 GLU CA C 13 58.0700 0.15 . 1 . . . . . . . . . 5465 1 872 . 1 1 69 69 GLU CB C 13 28.6100 0.15 . 1 . . . . . . . . . 5465 1 873 . 1 1 69 69 GLU CG C 13 35.9100 0.15 . 1 . . . . . . . . . 5465 1 874 . 1 1 69 69 GLU HA H 1 4.2560 0.05 . 1 . . . . . . . . . 5465 1 875 . 1 1 69 69 GLU HB2 H 1 2.0300 0.05 . 1 . . . . . . . . . 5465 1 876 . 1 1 69 69 GLU HB3 H 1 2.0300 0.05 . 1 . . . . . . . . . 5465 1 877 . 1 1 69 69 GLU HG2 H 1 2.2800 0.05 . 1 . . . . . . . . . 5465 1 878 . 1 1 69 69 GLU HG3 H 1 2.1800 0.05 . 1 . . . . . . . . . 5465 1 879 . 1 1 69 69 GLU H H 1 8.7910 0.05 . 1 . . . . . . . . . 5465 1 880 . 1 1 69 69 GLU N N 15 114.2100 0.04 . 1 . . . . . . . . . 5465 1 881 . 1 1 69 69 GLU C C 13 177.1497 0.15 . 1 . . . . . . . . . 5465 1 882 . 1 1 70 70 LEU CA C 13 55.0200 0.15 . 1 . . . . . . . . . 5465 1 883 . 1 1 70 70 LEU CB C 13 43.1400 0.15 . 1 . . . . . . . . . 5465 1 884 . 1 1 70 70 LEU CG C 13 27.3400 0.15 . 1 . . . . . . . . . 5465 1 885 . 1 1 70 70 LEU CD1 C 13 22.2800 0.15 . 1 . . . . . . . . . 5465 1 886 . 1 1 70 70 LEU CD2 C 13 25.3300 0.15 . 1 . . . . . . . . . 5465 1 887 . 1 1 70 70 LEU HA H 1 4.3830 0.05 . 1 . . . . . . . . . 5465 1 888 . 1 1 70 70 LEU HB2 H 1 1.7610 0.05 . 1 . . . . . . . . . 5465 1 889 . 1 1 70 70 LEU HB3 H 1 1.4840 0.05 . 1 . . . . . . . . . 5465 1 890 . 1 1 70 70 LEU HG H 1 1.5210 0.05 . 1 . . . . . . . . . 5465 1 891 . 1 1 70 70 LEU HD11 H 1 0.8250 0.05 . 1 . . . . . . . . . 5465 1 892 . 1 1 70 70 LEU HD12 H 1 0.8250 0.05 . 1 . . . . . . . . . 5465 1 893 . 1 1 70 70 LEU HD13 H 1 0.8250 0.05 . 1 . . . . . . . . . 5465 1 894 . 1 1 70 70 LEU HD21 H 1 0.9400 0.05 . 1 . . . . . . . . . 5465 1 895 . 1 1 70 70 LEU HD22 H 1 0.9400 0.05 . 1 . . . . . . . . . 5465 1 896 . 1 1 70 70 LEU HD23 H 1 0.9400 0.05 . 1 . . . . . . . . . 5465 1 897 . 1 1 70 70 LEU H H 1 8.0000 0.05 . 1 . . . . . . . . . 5465 1 898 . 1 1 70 70 LEU N N 15 118.2400 0.04 . 1 . . . . . . . . . 5465 1 899 . 1 1 70 70 LEU C C 13 178.1096 0.15 . 1 . . . . . . . . . 5465 1 900 . 1 1 71 71 VAL CA C 13 67.8100 0.15 . 1 . . . . . . . . . 5465 1 901 . 1 1 71 71 VAL CB C 13 31.9100 0.15 . 1 . . . . . . . . . 5465 1 902 . 1 1 71 71 VAL CG1 C 13 23.4700 0.15 . 1 . . . . . . . . . 5465 1 903 . 1 1 71 71 VAL CG2 C 13 22.1600 0.15 . 1 . . . . . . . . . 5465 1 904 . 1 1 71 71 VAL HA H 1 3.3260 0.05 . 1 . . . . . . . . . 5465 1 905 . 1 1 71 71 VAL HB H 1 2.0800 0.05 . 1 . . . . . . . . . 5465 1 906 . 1 1 71 71 VAL HG11 H 1 1.0220 0.05 . 1 . . . . . . . . . 5465 1 907 . 1 1 71 71 VAL HG12 H 1 1.0220 0.05 . 1 . . . . . . . . . 5465 1 908 . 1 1 71 71 VAL HG13 H 1 1.0220 0.05 . 1 . . . . . . . . . 5465 1 909 . 1 1 71 71 VAL HG21 H 1 0.7910 0.05 . 1 . . . . . . . . . 5465 1 910 . 1 1 71 71 VAL HG22 H 1 0.7910 0.05 . 1 . . . . . . . . . 5465 1 911 . 1 1 71 71 VAL HG23 H 1 0.7910 0.05 . 1 . . . . . . . . . 5465 1 912 . 1 1 71 71 VAL H H 1 7.0680 0.05 . 1 . . . . . . . . . 5465 1 913 . 1 1 71 71 VAL N N 15 118.3800 0.04 . 1 . . . . . . . . . 5465 1 914 . 1 1 71 71 VAL C C 13 177.1581 0.15 . 1 . . . . . . . . . 5465 1 915 . 1 1 72 72 CYS CA C 13 60.0800 0.15 . 1 . . . . . . . . . 5465 1 916 . 1 1 72 72 CYS CB C 13 42.2100 0.15 . 1 . . . . . . . . . 5465 1 917 . 1 1 72 72 CYS HA H 1 4.0240 0.05 . 1 . . . . . . . . . 5465 1 918 . 1 1 72 72 CYS HB2 H 1 2.9680 0.05 . 1 . . . . . . . . . 5465 1 919 . 1 1 72 72 CYS HB3 H 1 2.7640 0.05 . 1 . . . . . . . . . 5465 1 920 . 1 1 72 72 CYS H H 1 9.2670 0.05 . 1 . . . . . . . . . 5465 1 921 . 1 1 72 72 CYS N N 15 115.4200 0.04 . 1 . . . . . . . . . 5465 1 922 . 1 1 72 72 CYS C C 13 177.6961 0.15 . 1 . . . . . . . . . 5465 1 923 . 1 1 73 73 SER CA C 13 60.9400 0.15 . 1 . . . . . . . . . 5465 1 924 . 1 1 73 73 SER CB C 13 62.3600 0.15 . 1 . . . . . . . . . 5465 1 925 . 1 1 73 73 SER HA H 1 4.5760 0.05 . 1 . . . . . . . . . 5465 1 926 . 1 1 73 73 SER HB2 H 1 3.7700 0.05 . 1 . . . . . . . . . 5465 1 927 . 1 1 73 73 SER HB3 H 1 3.6900 0.05 . 1 . . . . . . . . . 5465 1 928 . 1 1 73 73 SER H H 1 8.3990 0.05 . 1 . . . . . . . . . 5465 1 929 . 1 1 73 73 SER N N 15 117.8100 0.04 . 1 . . . . . . . . . 5465 1 930 . 1 1 73 73 SER C C 13 178.5929 0.15 . 1 . . . . . . . . . 5465 1 931 . 1 1 74 74 MET CA C 13 59.5000 0.15 . 1 . . . . . . . . . 5465 1 932 . 1 1 74 74 MET CB C 13 32.8300 0.15 . 1 . . . . . . . . . 5465 1 933 . 1 1 74 74 MET CG C 13 32.0690 0.15 . 1 . . . . . . . . . 5465 1 934 . 1 1 74 74 MET CE C 13 16.5700 0.15 . 1 . . . . . . . . . 5465 1 935 . 1 1 74 74 MET HA H 1 3.9400 0.05 . 1 . . . . . . . . . 5465 1 936 . 1 1 74 74 MET HB2 H 1 2.2400 0.05 . 1 . . . . . . . . . 5465 1 937 . 1 1 74 74 MET HB3 H 1 2.1300 0.05 . 1 . . . . . . . . . 5465 1 938 . 1 1 74 74 MET HG2 H 1 2.6400 0.05 . 1 . . . . . . . . . 5465 1 939 . 1 1 74 74 MET HG3 H 1 2.5000 0.05 . 1 . . . . . . . . . 5465 1 940 . 1 1 74 74 MET HE1 H 1 2.0750 0.05 . 1 . . . . . . . . . 5465 1 941 . 1 1 74 74 MET HE2 H 1 2.0750 0.05 . 1 . . . . . . . . . 5465 1 942 . 1 1 74 74 MET HE3 H 1 2.0750 0.05 . 1 . . . . . . . . . 5465 1 943 . 1 1 74 74 MET H H 1 8.2720 0.05 . 1 . . . . . . . . . 5465 1 944 . 1 1 74 74 MET N N 15 125.6900 0.04 . 1 . . . . . . . . . 5465 1 945 . 1 1 74 74 MET C C 13 177.9869 0.15 . 1 . . . . . . . . . 5465 1 946 . 1 1 75 75 LEU CA C 13 54.4000 0.15 . 1 . . . . . . . . . 5465 1 947 . 1 1 75 75 LEU CB C 13 42.4800 0.15 . 1 . . . . . . . . . 5465 1 948 . 1 1 75 75 LEU CG C 13 26.3800 0.15 . 1 . . . . . . . . . 5465 1 949 . 1 1 75 75 LEU CD1 C 13 22.4500 0.15 . 1 . . . . . . . . . 5465 1 950 . 1 1 75 75 LEU CD2 C 13 27.1500 0.15 . 1 . . . . . . . . . 5465 1 951 . 1 1 75 75 LEU HA H 1 4.1840 0.05 . 1 . . . . . . . . . 5465 1 952 . 1 1 75 75 LEU HB2 H 1 1.4190 0.05 . 1 . . . . . . . . . 5465 1 953 . 1 1 75 75 LEU HB3 H 1 1.4190 0.05 . 1 . . . . . . . . . 5465 1 954 . 1 1 75 75 LEU HG H 1 1.7100 0.05 . 1 . . . . . . . . . 5465 1 955 . 1 1 75 75 LEU HD11 H 1 0.8730 0.05 . 1 . . . . . . . . . 5465 1 956 . 1 1 75 75 LEU HD12 H 1 0.8730 0.05 . 1 . . . . . . . . . 5465 1 957 . 1 1 75 75 LEU HD13 H 1 0.8730 0.05 . 1 . . . . . . . . . 5465 1 958 . 1 1 75 75 LEU HD21 H 1 0.6860 0.05 . 1 . . . . . . . . . 5465 1 959 . 1 1 75 75 LEU HD22 H 1 0.6860 0.05 . 1 . . . . . . . . . 5465 1 960 . 1 1 75 75 LEU HD23 H 1 0.6860 0.05 . 1 . . . . . . . . . 5465 1 961 . 1 1 75 75 LEU H H 1 7.2910 0.05 . 1 . . . . . . . . . 5465 1 962 . 1 1 75 75 LEU N N 15 114.5500 0.04 . 1 . . . . . . . . . 5465 1 963 . 1 1 75 75 LEU C C 13 175.6007 0.15 . 1 . . . . . . . . . 5465 1 964 . 1 1 76 76 HIS CA C 13 56.7000 0.15 . 1 . . . . . . . . . 5465 1 965 . 1 1 76 76 HIS CB C 13 25.7200 0.15 . 1 . . . . . . . . . 5465 1 966 . 1 1 76 76 HIS CD2 C 13 119.6840 0.15 . 1 . . . . . . . . . 5465 1 967 . 1 1 76 76 HIS CE1 C 13 135.9580 0.15 . 1 . . . . . . . . . 5465 1 968 . 1 1 76 76 HIS HA H 1 4.2860 0.05 . 1 . . . . . . . . . 5465 1 969 . 1 1 76 76 HIS HB2 H 1 3.4730 0.05 . 1 . . . . . . . . . 5465 1 970 . 1 1 76 76 HIS HB3 H 1 3.4730 0.05 . 1 . . . . . . . . . 5465 1 971 . 1 1 76 76 HIS HD2 H 1 7.2580 0.05 . 1 . . . . . . . . . 5465 1 972 . 1 1 76 76 HIS HE1 H 1 8.5580 0.05 . 1 . . . . . . . . . 5465 1 973 . 1 1 76 76 HIS H H 1 7.6410 0.05 . 1 . . . . . . . . . 5465 1 974 . 1 1 76 76 HIS N N 15 110.7900 0.04 . 1 . . . . . . . . . 5465 1 975 . 1 1 76 76 HIS C C 13 173.7996 0.15 . 1 . . . . . . . . . 5465 1 976 . 1 1 77 77 LEU CA C 13 55.8500 0.15 . 1 . . . . . . . . . 5465 1 977 . 1 1 77 77 LEU CB C 13 42.5700 0.15 . 1 . . . . . . . . . 5465 1 978 . 1 1 77 77 LEU CG C 13 27.3200 0.15 . 1 . . . . . . . . . 5465 1 979 . 1 1 77 77 LEU CD1 C 13 22.6000 0.15 . 1 . . . . . . . . . 5465 1 980 . 1 1 77 77 LEU CD2 C 13 24.9400 0.15 . 1 . . . . . . . . . 5465 1 981 . 1 1 77 77 LEU HA H 1 4.3320 0.05 . 1 . . . . . . . . . 5465 1 982 . 1 1 77 77 LEU HB2 H 1 1.7690 0.05 . 1 . . . . . . . . . 5465 1 983 . 1 1 77 77 LEU HB3 H 1 1.2760 0.05 . 1 . . . . . . . . . 5465 1 984 . 1 1 77 77 LEU HG H 1 1.1550 0.05 . 1 . . . . . . . . . 5465 1 985 . 1 1 77 77 LEU HD11 H 1 0.5410 0.05 . 1 . . . . . . . . . 5465 1 986 . 1 1 77 77 LEU HD12 H 1 0.5410 0.05 . 1 . . . . . . . . . 5465 1 987 . 1 1 77 77 LEU HD13 H 1 0.5410 0.05 . 1 . . . . . . . . . 5465 1 988 . 1 1 77 77 LEU HD21 H 1 0.2840 0.05 . 1 . . . . . . . . . 5465 1 989 . 1 1 77 77 LEU HD22 H 1 0.2840 0.05 . 1 . . . . . . . . . 5465 1 990 . 1 1 77 77 LEU HD23 H 1 0.2840 0.05 . 1 . . . . . . . . . 5465 1 991 . 1 1 77 77 LEU H H 1 7.8770 0.05 . 1 . . . . . . . . . 5465 1 992 . 1 1 77 77 LEU N N 15 117.0400 0.04 . 1 . . . . . . . . . 5465 1 993 . 1 1 77 77 LEU C C 13 176.9517 0.15 . 1 . . . . . . . . . 5465 1 994 . 1 1 78 78 CYS CA C 13 53.7900 0.15 . 1 . . . . . . . . . 5465 1 995 . 1 1 78 78 CYS CB C 13 45.9600 0.15 . 1 . . . . . . . . . 5465 1 996 . 1 1 78 78 CYS HA H 1 4.8830 0.05 . 1 . . . . . . . . . 5465 1 997 . 1 1 78 78 CYS HB2 H 1 3.2810 0.05 . 1 . . . . . . . . . 5465 1 998 . 1 1 78 78 CYS HB3 H 1 2.1520 0.05 . 1 . . . . . . . . . 5465 1 999 . 1 1 78 78 CYS H H 1 6.8610 0.05 . 1 . . . . . . . . . 5465 1 1000 . 1 1 78 78 CYS N N 15 112.7000 0.04 . 1 . . . . . . . . . 5465 1 1001 . 1 1 78 78 CYS C C 13 174.2758 0.15 . 1 . . . . . . . . . 5465 1 1002 . 1 1 79 79 SER CA C 13 58.6700 0.15 . 1 . . . . . . . . . 5465 1 1003 . 1 1 79 79 SER CB C 13 63.9100 0.15 . 1 . . . . . . . . . 5465 1 1004 . 1 1 79 79 SER HA H 1 4.3920 0.05 . 1 . . . . . . . . . 5465 1 1005 . 1 1 79 79 SER HB2 H 1 3.8600 0.05 . 1 . . . . . . . . . 5465 1 1006 . 1 1 79 79 SER HB3 H 1 3.8600 0.05 . 1 . . . . . . . . . 5465 1 1007 . 1 1 79 79 SER H H 1 8.9020 0.05 . 1 . . . . . . . . . 5465 1 1008 . 1 1 79 79 SER N N 15 117.1200 0.04 . 1 . . . . . . . . . 5465 1 1009 . 1 1 79 79 SER C C 13 174.5966 0.15 . 1 . . . . . . . . . 5465 1 1010 . 1 1 80 80 GLY CA C 13 45.8100 0.15 . 1 . . . . . . . . . 5465 1 1011 . 1 1 80 80 GLY HA2 H 1 3.9440 0.05 . 1 . . . . . . . . . 5465 1 1012 . 1 1 80 80 GLY HA3 H 1 3.9440 0.05 . 1 . . . . . . . . . 5465 1 1013 . 1 1 80 80 GLY H H 1 8.3050 0.05 . 1 . . . . . . . . . 5465 1 1014 . 1 1 80 80 GLY N N 15 110.1400 0.04 . 1 . . . . . . . . . 5465 1 1015 . 1 1 80 80 GLY C C 13 173.5685 0.15 . 1 . . . . . . . . . 5465 1 1016 . 1 1 81 81 LEU CA C 13 55.1900 0.15 . 1 . . . . . . . . . 5465 1 1017 . 1 1 81 81 LEU CB C 13 42.4200 0.15 . 1 . . . . . . . . . 5465 1 1018 . 1 1 81 81 LEU CG C 13 27.0100 0.15 . 1 . . . . . . . . . 5465 1 1019 . 1 1 81 81 LEU CD1 C 13 24.8800 0.15 . 1 . . . . . . . . . 5465 1 1020 . 1 1 81 81 LEU CD2 C 13 23.7200 0.15 . 1 . . . . . . . . . 5465 1 1021 . 1 1 81 81 LEU HA H 1 4.3370 0.05 . 1 . . . . . . . . . 5465 1 1022 . 1 1 81 81 LEU HB2 H 1 1.5480 0.05 . 1 . . . . . . . . . 5465 1 1023 . 1 1 81 81 LEU HB3 H 1 1.5480 0.05 . 1 . . . . . . . . . 5465 1 1024 . 1 1 81 81 LEU HG H 1 1.5500 0.05 . 1 . . . . . . . . . 5465 1 1025 . 1 1 81 81 LEU HD11 H 1 0.8700 0.05 . 1 . . . . . . . . . 5465 1 1026 . 1 1 81 81 LEU HD12 H 1 0.8700 0.05 . 1 . . . . . . . . . 5465 1 1027 . 1 1 81 81 LEU HD13 H 1 0.8700 0.05 . 1 . . . . . . . . . 5465 1 1028 . 1 1 81 81 LEU HD21 H 1 0.8300 0.05 . 1 . . . . . . . . . 5465 1 1029 . 1 1 81 81 LEU HD22 H 1 0.8300 0.05 . 1 . . . . . . . . . 5465 1 1030 . 1 1 81 81 LEU HD23 H 1 0.8300 0.05 . 1 . . . . . . . . . 5465 1 1031 . 1 1 81 81 LEU H H 1 8.1930 0.05 . 1 . . . . . . . . . 5465 1 1032 . 1 1 81 81 LEU N N 15 121.3300 0.04 . 1 . . . . . . . . . 5465 1 1033 . 1 1 81 81 LEU C C 13 177.1723 0.15 . 1 . . . . . . . . . 5465 1 1034 . 1 1 82 82 VAL CA C 13 59.7400 0.15 . 1 . . . . . . . . . 5465 1 1035 . 1 1 82 82 VAL CB C 13 32.7300 0.15 . 1 . . . . . . . . . 5465 1 1036 . 1 1 82 82 VAL CG1 C 13 20.4800 0.15 . 1 . . . . . . . . . 5465 1 1037 . 1 1 82 82 VAL CG2 C 13 21.1300 0.15 . 1 . . . . . . . . . 5465 1 1038 . 1 1 82 82 VAL HA H 1 4.4060 0.05 . 1 . . . . . . . . . 5465 1 1039 . 1 1 82 82 VAL HB H 1 2.0400 0.05 . 1 . . . . . . . . . 5465 1 1040 . 1 1 82 82 VAL HG11 H 1 0.9300 0.05 . 1 . . . . . . . . . 5465 1 1041 . 1 1 82 82 VAL HG12 H 1 0.9300 0.05 . 1 . . . . . . . . . 5465 1 1042 . 1 1 82 82 VAL HG13 H 1 0.9300 0.05 . 1 . . . . . . . . . 5465 1 1043 . 1 1 82 82 VAL HG21 H 1 0.9100 0.05 . 1 . . . . . . . . . 5465 1 1044 . 1 1 82 82 VAL HG22 H 1 0.9100 0.05 . 1 . . . . . . . . . 5465 1 1045 . 1 1 82 82 VAL HG23 H 1 0.9100 0.05 . 1 . . . . . . . . . 5465 1 1046 . 1 1 82 82 VAL H H 1 8.0980 0.05 . 1 . . . . . . . . . 5465 1 1047 . 1 1 82 82 VAL N N 15 122.6500 0.04 . 1 . . . . . . . . . 5465 1 1048 . 1 1 83 83 PRO CA C 13 63.4000 0.15 . 1 . . . . . . . . . 5465 1 1049 . 1 1 83 83 PRO CB C 13 32.0000 0.15 . 1 . . . . . . . . . 5465 1 1050 . 1 1 83 83 PRO CG C 13 27.4470 0.15 . 1 . . . . . . . . . 5465 1 1051 . 1 1 83 83 PRO CD C 13 51.2020 0.15 . 1 . . . . . . . . . 5465 1 1052 . 1 1 83 83 PRO HA H 1 4.3790 0.05 . 1 . . . . . . . . . 5465 1 1053 . 1 1 83 83 PRO HB2 H 1 2.2630 0.05 . 1 . . . . . . . . . 5465 1 1054 . 1 1 83 83 PRO HB3 H 1 1.9280 0.05 . 1 . . . . . . . . . 5465 1 1055 . 1 1 83 83 PRO HG2 H 1 2.0400 0.05 . 1 . . . . . . . . . 5465 1 1056 . 1 1 83 83 PRO HG3 H 1 2.0400 0.05 . 1 . . . . . . . . . 5465 1 1057 . 1 1 83 83 PRO HD2 H 1 3.8400 0.05 . 1 . . . . . . . . . 5465 1 1058 . 1 1 83 83 PRO HD3 H 1 3.6600 0.05 . 1 . . . . . . . . . 5465 1 1059 . 1 1 83 83 PRO C C 13 175.9193 0.15 . 1 . . . . . . . . . 5465 1 1060 . 1 1 84 84 ARG CA C 13 57.3490 0.15 . 1 . . . . . . . . . 5465 1 1061 . 1 1 84 84 ARG CB C 13 31.8250 0.15 . 1 . . . . . . . . . 5465 1 1062 . 1 1 84 84 ARG CG C 13 27.2400 0.15 . 1 . . . . . . . . . 5465 1 1063 . 1 1 84 84 ARG CD C 13 43.4300 0.15 . 1 . . . . . . . . . 5465 1 1064 . 1 1 84 84 ARG HA H 1 4.1530 0.05 . 1 . . . . . . . . . 5465 1 1065 . 1 1 84 84 ARG HB2 H 1 1.8300 0.05 . 1 . . . . . . . . . 5465 1 1066 . 1 1 84 84 ARG HB3 H 1 1.6900 0.05 . 1 . . . . . . . . . 5465 1 1067 . 1 1 84 84 ARG HG2 H 1 1.6200 0.05 . 1 . . . . . . . . . 5465 1 1068 . 1 1 84 84 ARG HG3 H 1 1.6200 0.05 . 1 . . . . . . . . . 5465 1 1069 . 1 1 84 84 ARG HD2 H 1 3.1800 0.05 . 1 . . . . . . . . . 5465 1 1070 . 1 1 84 84 ARG HD3 H 1 3.1800 0.05 . 1 . . . . . . . . . 5465 1 1071 . 1 1 84 84 ARG H H 1 7.9730 0.05 . 1 . . . . . . . . . 5465 1 1072 . 1 1 84 84 ARG N N 15 126.5400 0.04 . 1 . . . . . . . . . 5465 1 stop_ save_