data_5951 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5951 _Entry.Title ; 1H and 15N chemical shift assignment and secondary structure of human saposin C ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-09-16 _Entry.Accession_date 2003-09-16 _Entry.Last_release_date 2003-09-16 _Entry.Original_release_date 2003-09-16 _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 Michael John . . . . 5951 2 Louis Patard . . . . 5951 3 Michaela Wendeler . . . . 5951 4 Konrad Sandhoff . . . . 5951 5 Horst Kessler . . . . 5951 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5951 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 75 5951 '1H chemical shifts' 521 5951 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 . . 2005-10-24 . original BMRB . 5951 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5951 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; 1H and 15N chemical shift assignment and secondary structure of human saposin C ; _Citation.Status published _Citation.Type 'BMRB only' _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Michael John . . . . 5951 1 2 Louis Patard . . . . 5951 1 3 Michaela Wendeler . . . . 5951 1 4 Konrad Sandhoff . . . . 5951 1 5 Horst Kessler . . . . 5951 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SAP-C _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SAP-C _Assembly.Entry_ID 5951 _Assembly.ID 1 _Assembly.Name SAP-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 5951 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 SAP-C 1 $SAP-C . . . native . . . . . 5951 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 . . . . . . . . . . . . 5951 1 2 disulfide single . 1 . 1 CYS 8 8 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . . . 5951 1 3 disulfide single . 1 . 1 CYS 36 36 SG . 1 . 1 CYS 47 47 SG . . . . . . . . . . . . 5951 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SAP-C abbreviation 5951 1 SAP-C system 5951 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SAP-C _Entity.Sf_category entity _Entity.Sf_framecode SAP-C _Entity.Entry_ID 5951 _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 RHHHHHH ; _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 87 _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 . BMRB 5465 . 'SAPOSIN C' . . . . . 91.95 84 100.00 100.00 3.19e-37 . . . . 5951 1 2 . BMRB 6158 . 'saposin C' . . . . . 91.95 84 100.00 100.00 3.19e-37 . . . . 5951 1 3 . PDB 1M12 . 'Nmr Solution Structure Of Human Saposin C' . . . . . 91.95 84 100.00 100.00 3.77e-37 . . . . 5951 1 4 . PDB 1SN6 . 'Nmr Solution Structure Of Human Saposin C In Sds Micelles' . . . . . 91.95 84 100.00 100.00 3.77e-37 . . . . 5951 1 5 . PDB 2GTG . 'Crystal Structure Of Human Saposin C' . . . . . 91.95 83 100.00 100.00 3.14e-37 . . . . 5951 1 6 . PDB 2Z9A . 'Crystal Structure Of Human Saposin C Dimer In Open Conformation' . . . . . 90.80 88 100.00 100.00 2.23e-36 . . . . 5951 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SAP-C abbreviation 5951 1 'saposin C' common 5951 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 . 5951 1 2 . ASP . 5951 1 3 . VAL . 5951 1 4 . TYR . 5951 1 5 . CYS . 5951 1 6 . GLU . 5951 1 7 . VAL . 5951 1 8 . CYS . 5951 1 9 . GLU . 5951 1 10 . PHE . 5951 1 11 . LEU . 5951 1 12 . VAL . 5951 1 13 . LYS . 5951 1 14 . GLU . 5951 1 15 . VAL . 5951 1 16 . THR . 5951 1 17 . LYS . 5951 1 18 . LEU . 5951 1 19 . ILE . 5951 1 20 . ASP . 5951 1 21 . ASN . 5951 1 22 . ASN . 5951 1 23 . LYS . 5951 1 24 . THR . 5951 1 25 . GLU . 5951 1 26 . LYS . 5951 1 27 . GLU . 5951 1 28 . ILE . 5951 1 29 . LEU . 5951 1 30 . ASP . 5951 1 31 . ALA . 5951 1 32 . PHE . 5951 1 33 . ASP . 5951 1 34 . LYS . 5951 1 35 . MET . 5951 1 36 . CYS . 5951 1 37 . SER . 5951 1 38 . LYS . 5951 1 39 . LEU . 5951 1 40 . PRO . 5951 1 41 . LYS . 5951 1 42 . SER . 5951 1 43 . LEU . 5951 1 44 . SER . 5951 1 45 . GLU . 5951 1 46 . GLU . 5951 1 47 . CYS . 5951 1 48 . GLN . 5951 1 49 . GLU . 5951 1 50 . VAL . 5951 1 51 . VAL . 5951 1 52 . ASP . 5951 1 53 . THR . 5951 1 54 . TYR . 5951 1 55 . GLY . 5951 1 56 . SER . 5951 1 57 . SER . 5951 1 58 . ILE . 5951 1 59 . LEU . 5951 1 60 . SER . 5951 1 61 . ILE . 5951 1 62 . LEU . 5951 1 63 . LEU . 5951 1 64 . GLU . 5951 1 65 . GLU . 5951 1 66 . VAL . 5951 1 67 . SER . 5951 1 68 . PRO . 5951 1 69 . GLU . 5951 1 70 . LEU . 5951 1 71 . VAL . 5951 1 72 . CYS . 5951 1 73 . SER . 5951 1 74 . MET . 5951 1 75 . LEU . 5951 1 76 . HIS . 5951 1 77 . LEU . 5951 1 78 . CYS . 5951 1 79 . SER . 5951 1 80 . GLY . 5951 1 81 . ARG . 5951 1 82 . HIS . 5951 1 83 . HIS . 5951 1 84 . HIS . 5951 1 85 . HIS . 5951 1 86 . HIS . 5951 1 87 . HIS . 5951 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 5951 1 . ASP 2 2 5951 1 . VAL 3 3 5951 1 . TYR 4 4 5951 1 . CYS 5 5 5951 1 . GLU 6 6 5951 1 . VAL 7 7 5951 1 . CYS 8 8 5951 1 . GLU 9 9 5951 1 . PHE 10 10 5951 1 . LEU 11 11 5951 1 . VAL 12 12 5951 1 . LYS 13 13 5951 1 . GLU 14 14 5951 1 . VAL 15 15 5951 1 . THR 16 16 5951 1 . LYS 17 17 5951 1 . LEU 18 18 5951 1 . ILE 19 19 5951 1 . ASP 20 20 5951 1 . ASN 21 21 5951 1 . ASN 22 22 5951 1 . LYS 23 23 5951 1 . THR 24 24 5951 1 . GLU 25 25 5951 1 . LYS 26 26 5951 1 . GLU 27 27 5951 1 . ILE 28 28 5951 1 . LEU 29 29 5951 1 . ASP 30 30 5951 1 . ALA 31 31 5951 1 . PHE 32 32 5951 1 . ASP 33 33 5951 1 . LYS 34 34 5951 1 . MET 35 35 5951 1 . CYS 36 36 5951 1 . SER 37 37 5951 1 . LYS 38 38 5951 1 . LEU 39 39 5951 1 . PRO 40 40 5951 1 . LYS 41 41 5951 1 . SER 42 42 5951 1 . LEU 43 43 5951 1 . SER 44 44 5951 1 . GLU 45 45 5951 1 . GLU 46 46 5951 1 . CYS 47 47 5951 1 . GLN 48 48 5951 1 . GLU 49 49 5951 1 . VAL 50 50 5951 1 . VAL 51 51 5951 1 . ASP 52 52 5951 1 . THR 53 53 5951 1 . TYR 54 54 5951 1 . GLY 55 55 5951 1 . SER 56 56 5951 1 . SER 57 57 5951 1 . ILE 58 58 5951 1 . LEU 59 59 5951 1 . SER 60 60 5951 1 . ILE 61 61 5951 1 . LEU 62 62 5951 1 . LEU 63 63 5951 1 . GLU 64 64 5951 1 . GLU 65 65 5951 1 . VAL 66 66 5951 1 . SER 67 67 5951 1 . PRO 68 68 5951 1 . GLU 69 69 5951 1 . LEU 70 70 5951 1 . VAL 71 71 5951 1 . CYS 72 72 5951 1 . SER 73 73 5951 1 . MET 74 74 5951 1 . LEU 75 75 5951 1 . HIS 76 76 5951 1 . LEU 77 77 5951 1 . CYS 78 78 5951 1 . SER 79 79 5951 1 . GLY 80 80 5951 1 . ARG 81 81 5951 1 . HIS 82 82 5951 1 . HIS 83 83 5951 1 . HIS 84 84 5951 1 . HIS 85 85 5951 1 . HIS 86 86 5951 1 . HIS 87 87 5951 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 5951 _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 $SAP-C . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 5951 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 5951 _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 $SAP-C . 'recombinant technology' . . . . . . . . . . . . . . . . 5951 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5951 _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 $SAP-C . . 1.4 . . mM . . . . 5951 1 2 'sodium phosphate' . . . . . . . 50 . . mM . . . . 5951 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 5951 _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-15N] . . 1 $SAP-C . . 1.4 . . mM . . . . 5951 2 2 'sodium acetate' . . . . . . . 50 . . mM . . . . 5951 2 stop_ save_ ####################### # Sample conditions # ####################### save_pH7 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH7 _Sample_condition_list.Entry_ID 5951 _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 pH 7.0 0.2 pH 5951 1 temperature 310 0.5 K 5951 1 stop_ save_ save_pH4 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode pH4 _Sample_condition_list.Entry_ID 5951 _Sample_condition_list.ID 2 _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 pH 4.0 0.2 pH 5951 2 temperature 290 0.5 K 5951 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5951 _NMR_spectrometer.ID 1 _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 5951 _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 Bruker DMX . 600 . . . 5951 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 5951 _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 '1H-15N NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5951 1 2 '1H-15N TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5951 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5951 1 4 HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5951 1 5 '15N HSQC-NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5951 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 5951 _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 H 1 TSP 'methyl protons' . . . . ppm 0.00 external direct 1.0 external . . . . 5951 1 N 15 TSP 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . 5951 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5951 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $pH7 _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 '1H-15N NOESY' 1 $sample_1 . 5951 1 2 '1H-15N TOCSY' 1 $sample_1 . 5951 1 3 HNHA 1 $sample_1 . 5951 1 4 HNHB 1 $sample_1 . 5951 1 5 '15N HSQC-NOESY-HSQC' 1 $sample_1 . 5951 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 3 3 VAL H H 1 8.07 0.01 . 1 . . . . . . . . . 5951 1 2 . 1 1 3 3 VAL HA H 1 3.88 0.01 . 1 . . . . . . . . . 5951 1 3 . 1 1 3 3 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . . 5951 1 4 . 1 1 3 3 VAL HG11 H 1 0.72 0.01 . 2 . . . . . . . . . 5951 1 5 . 1 1 3 3 VAL HG12 H 1 0.72 0.01 . 2 . . . . . . . . . 5951 1 6 . 1 1 3 3 VAL HG13 H 1 0.72 0.01 . 2 . . . . . . . . . 5951 1 7 . 1 1 3 3 VAL HG21 H 1 0.85 0.01 . 2 . . . . . . . . . 5951 1 8 . 1 1 3 3 VAL HG22 H 1 0.85 0.01 . 2 . . . . . . . . . 5951 1 9 . 1 1 3 3 VAL HG23 H 1 0.85 0.01 . 2 . . . . . . . . . 5951 1 10 . 1 1 3 3 VAL N N 15 120.4 0.1 . 1 . . . . . . . . . 5951 1 11 . 1 1 4 4 TYR H H 1 7.92 0.01 . 1 . . . . . . . . . 5951 1 12 . 1 1 4 4 TYR HA H 1 4.11 0.01 . 1 . . . . . . . . . 5951 1 13 . 1 1 4 4 TYR HB2 H 1 3.23 0.01 . 2 . . . . . . . . . 5951 1 14 . 1 1 4 4 TYR HB3 H 1 2.94 0.01 . 2 . . . . . . . . . 5951 1 15 . 1 1 4 4 TYR HD1 H 1 7.10 0.01 . 1 . . . . . . . . . 5951 1 16 . 1 1 4 4 TYR HD2 H 1 7.10 0.01 . 1 . . . . . . . . . 5951 1 17 . 1 1 4 4 TYR HE1 H 1 6.93 0.01 . 1 . . . . . . . . . 5951 1 18 . 1 1 4 4 TYR HE2 H 1 6.93 0.01 . 1 . . . . . . . . . 5951 1 19 . 1 1 4 4 TYR N N 15 118.6 0.1 . 1 . . . . . . . . . 5951 1 20 . 1 1 5 5 CYS H H 1 7.79 0.01 . 1 . . . . . . . . . 5951 1 21 . 1 1 5 5 CYS HA H 1 4.29 0.01 . 1 . . . . . . . . . 5951 1 22 . 1 1 5 5 CYS HB2 H 1 3.92 0.01 . 2 . . . . . . . . . 5951 1 23 . 1 1 5 5 CYS HB3 H 1 3.02 0.01 . 2 . . . . . . . . . 5951 1 24 . 1 1 5 5 CYS N N 15 118.0 0.1 . 1 . . . . . . . . . 5951 1 25 . 1 1 6 6 GLU H H 1 8.06 0.01 . 1 . . . . . . . . . 5951 1 26 . 1 1 6 6 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . . 5951 1 27 . 1 1 6 6 GLU HB2 H 1 2.21 0.01 . 2 . . . . . . . . . 5951 1 28 . 1 1 6 6 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . . 5951 1 29 . 1 1 6 6 GLU HG3 H 1 2.32 0.01 . 2 . . . . . . . . . 5951 1 30 . 1 1 6 6 GLU N N 15 119.2 0.1 . 1 . . . . . . . . . 5951 1 31 . 1 1 7 7 VAL H H 1 8.53 0.01 . 1 . . . . . . . . . 5951 1 32 . 1 1 7 7 VAL HA H 1 3.82 0.01 . 1 . . . . . . . . . 5951 1 33 . 1 1 7 7 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . . 5951 1 34 . 1 1 7 7 VAL HG11 H 1 1.03 0.01 . 1 . . . . . . . . . 5951 1 35 . 1 1 7 7 VAL HG12 H 1 1.03 0.01 . 1 . . . . . . . . . 5951 1 36 . 1 1 7 7 VAL HG13 H 1 1.03 0.01 . 1 . . . . . . . . . 5951 1 37 . 1 1 7 7 VAL HG21 H 1 1.03 0.01 . 1 . . . . . . . . . 5951 1 38 . 1 1 7 7 VAL HG22 H 1 1.03 0.01 . 1 . . . . . . . . . 5951 1 39 . 1 1 7 7 VAL HG23 H 1 1.03 0.01 . 1 . . . . . . . . . 5951 1 40 . 1 1 7 7 VAL N N 15 116.5 0.1 . 1 . . . . . . . . . 5951 1 41 . 1 1 8 8 CYS H H 1 8.36 0.01 . 1 . . . . . . . . . 5951 1 42 . 1 1 8 8 CYS HA H 1 3.93 0.01 . 1 . . . . . . . . . 5951 1 43 . 1 1 8 8 CYS HB2 H 1 3.53 0.01 . 2 . . . . . . . . . 5951 1 44 . 1 1 8 8 CYS HB3 H 1 3.15 0.01 . 2 . . . . . . . . . 5951 1 45 . 1 1 8 8 CYS N N 15 120.6 0.1 . 1 . . . . . . . . . 5951 1 46 . 1 1 9 9 GLU H H 1 8.80 0.01 . 1 . . . . . . . . . 5951 1 47 . 1 1 9 9 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . . 5951 1 48 . 1 1 9 9 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . . 5951 1 49 . 1 1 9 9 GLU HB3 H 1 2.04 0.01 . 2 . . . . . . . . . 5951 1 50 . 1 1 9 9 GLU HG2 H 1 2.53 0.01 . 2 . . . . . . . . . 5951 1 51 . 1 1 9 9 GLU HG3 H 1 2.38 0.01 . 2 . . . . . . . . . 5951 1 52 . 1 1 9 9 GLU N N 15 119.3 0.1 . 1 . . . . . . . . . 5951 1 53 . 1 1 10 10 PHE H H 1 7.89 0.01 . 1 . . . . . . . . . 5951 1 54 . 1 1 10 10 PHE HA H 1 4.38 0.01 . 1 . . . . . . . . . 5951 1 55 . 1 1 10 10 PHE HB2 H 1 3.40 0.01 . 2 . . . . . . . . . 5951 1 56 . 1 1 10 10 PHE HB3 H 1 3.37 0.01 . 2 . . . . . . . . . 5951 1 57 . 1 1 10 10 PHE HD1 H 1 7.27 0.01 . 1 . . . . . . . . . 5951 1 58 . 1 1 10 10 PHE HD2 H 1 7.27 0.01 . 1 . . . . . . . . . 5951 1 59 . 1 1 10 10 PHE HE1 H 1 7.18 0.01 . 1 . . . . . . . . . 5951 1 60 . 1 1 10 10 PHE HE2 H 1 7.18 0.01 . 1 . . . . . . . . . 5951 1 61 . 1 1 10 10 PHE HZ H 1 7.31 0.01 . 1 . . . . . . . . . 5951 1 62 . 1 1 10 10 PHE N N 15 121.0 0.1 . 1 . . . . . . . . . 5951 1 63 . 1 1 11 11 LEU H H 1 8.51 0.01 . 1 . . . . . . . . . 5951 1 64 . 1 1 11 11 LEU HA H 1 3.79 0.01 . 1 . . . . . . . . . 5951 1 65 . 1 1 11 11 LEU HB2 H 1 2.20 0.01 . 2 . . . . . . . . . 5951 1 66 . 1 1 11 11 LEU HB3 H 1 1.32 0.01 . 2 . . . . . . . . . 5951 1 67 . 1 1 11 11 LEU HD11 H 1 0.83 0.01 . 2 . . . . . . . . . 5951 1 68 . 1 1 11 11 LEU HD12 H 1 0.83 0.01 . 2 . . . . . . . . . 5951 1 69 . 1 1 11 11 LEU HD13 H 1 0.83 0.01 . 2 . . . . . . . . . 5951 1 70 . 1 1 11 11 LEU HD21 H 1 0.92 0.01 . 2 . . . . . . . . . 5951 1 71 . 1 1 11 11 LEU HD22 H 1 0.92 0.01 . 2 . . . . . . . . . 5951 1 72 . 1 1 11 11 LEU HD23 H 1 0.92 0.01 . 2 . . . . . . . . . 5951 1 73 . 1 1 11 11 LEU N N 15 120.4 0.1 . 1 . . . . . . . . . 5951 1 74 . 1 1 12 12 VAL H H 1 8.81 0.01 . 1 . . . . . . . . . 5951 1 75 . 1 1 12 12 VAL HA H 1 3.39 0.01 . 1 . . . . . . . . . 5951 1 76 . 1 1 12 12 VAL HB H 1 2.23 0.01 . 1 . . . . . . . . . 5951 1 77 . 1 1 12 12 VAL HG11 H 1 1.05 0.01 . 2 . . . . . . . . . 5951 1 78 . 1 1 12 12 VAL HG12 H 1 1.05 0.01 . 2 . . . . . . . . . 5951 1 79 . 1 1 12 12 VAL HG13 H 1 1.05 0.01 . 2 . . . . . . . . . 5951 1 80 . 1 1 12 12 VAL HG21 H 1 1.22 0.01 . 2 . . . . . . . . . 5951 1 81 . 1 1 12 12 VAL HG22 H 1 1.22 0.01 . 2 . . . . . . . . . 5951 1 82 . 1 1 12 12 VAL HG23 H 1 1.22 0.01 . 2 . . . . . . . . . 5951 1 83 . 1 1 12 12 VAL N N 15 118.5 0.1 . 1 . . . . . . . . . 5951 1 84 . 1 1 13 13 LYS H H 1 7.72 0.01 . 1 . . . . . . . . . 5951 1 85 . 1 1 13 13 LYS HA H 1 4.01 0.01 . 1 . . . . . . . . . 5951 1 86 . 1 1 13 13 LYS HB2 H 1 2.01 0.01 . 2 . . . . . . . . . 5951 1 87 . 1 1 13 13 LYS HB3 H 1 1.96 0.01 . 2 . . . . . . . . . 5951 1 88 . 1 1 13 13 LYS HG2 H 1 1.63 0.01 . 2 . . . . . . . . . 5951 1 89 . 1 1 13 13 LYS HG3 H 1 1.44 0.01 . 2 . . . . . . . . . 5951 1 90 . 1 1 13 13 LYS HD2 H 1 1.75 0.01 . 2 . . . . . . . . . 5951 1 91 . 1 1 13 13 LYS HD3 H 1 1.73 0.01 . 2 . . . . . . . . . 5951 1 92 . 1 1 13 13 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . . 5951 1 93 . 1 1 13 13 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . . 5951 1 94 . 1 1 13 13 LYS N N 15 120.8 0.1 . 1 . . . . . . . . . 5951 1 95 . 1 1 14 14 GLU H H 1 8.05 0.01 . 1 . . . . . . . . . 5951 1 96 . 1 1 14 14 GLU HA H 1 3.82 0.01 . 1 . . . . . . . . . 5951 1 97 . 1 1 14 14 GLU HB2 H 1 1.96 0.01 . 2 . . . . . . . . . 5951 1 98 . 1 1 14 14 GLU HB3 H 1 2.00 0.01 . 2 . . . . . . . . . 5951 1 99 . 1 1 14 14 GLU HG3 H 1 1.72 0.01 . 2 . . . . . . . . . 5951 1 100 . 1 1 14 14 GLU N N 15 119.0 0.1 . 1 . . . . . . . . . 5951 1 101 . 1 1 15 15 VAL H H 1 8.95 0.01 . 1 . . . . . . . . . 5951 1 102 . 1 1 15 15 VAL HA H 1 3.45 0.01 . 1 . . . . . . . . . 5951 1 103 . 1 1 15 15 VAL HB H 1 2.03 0.01 . 1 . . . . . . . . . 5951 1 104 . 1 1 15 15 VAL HG11 H 1 0.95 0.01 . 2 . . . . . . . . . 5951 1 105 . 1 1 15 15 VAL HG12 H 1 0.95 0.01 . 2 . . . . . . . . . 5951 1 106 . 1 1 15 15 VAL HG13 H 1 0.95 0.01 . 2 . . . . . . . . . 5951 1 107 . 1 1 15 15 VAL HG21 H 1 0.96 0.01 . 2 . . . . . . . . . 5951 1 108 . 1 1 15 15 VAL HG22 H 1 0.96 0.01 . 2 . . . . . . . . . 5951 1 109 . 1 1 15 15 VAL HG23 H 1 0.96 0.01 . 2 . . . . . . . . . 5951 1 110 . 1 1 15 15 VAL N N 15 120.0 0.1 . 1 . . . . . . . . . 5951 1 111 . 1 1 16 16 THR H H 1 8.46 0.01 . 1 . . . . . . . . . 5951 1 112 . 1 1 16 16 THR HA H 1 3.83 0.01 . 1 . . . . . . . . . 5951 1 113 . 1 1 16 16 THR HB H 1 4.29 0.01 . 1 . . . . . . . . . 5951 1 114 . 1 1 16 16 THR HG21 H 1 1.32 0.01 . 1 . . . . . . . . . 5951 1 115 . 1 1 16 16 THR HG22 H 1 1.32 0.01 . 1 . . . . . . . . . 5951 1 116 . 1 1 16 16 THR HG23 H 1 1.32 0.01 . 1 . . . . . . . . . 5951 1 117 . 1 1 16 16 THR N N 15 114.9 0.1 . 1 . . . . . . . . . 5951 1 118 . 1 1 17 17 LYS H H 1 7.33 0.01 . 1 . . . . . . . . . 5951 1 119 . 1 1 17 17 LYS HA H 1 4.08 0.01 . 1 . . . . . . . . . 5951 1 120 . 1 1 17 17 LYS HB2 H 1 1.89 0.01 . 1 . . . . . . . . . 5951 1 121 . 1 1 17 17 LYS HB3 H 1 1.89 0.01 . 1 . . . . . . . . . 5951 1 122 . 1 1 17 17 LYS HG2 H 1 1.63 0.01 . 2 . . . . . . . . . 5951 1 123 . 1 1 17 17 LYS HG3 H 1 1.42 0.01 . 2 . . . . . . . . . 5951 1 124 . 1 1 17 17 LYS HD2 H 1 1.71 0.01 . 2 . . . . . . . . . 5951 1 125 . 1 1 17 17 LYS HD3 H 1 1.66 0.01 . 2 . . . . . . . . . 5951 1 126 . 1 1 17 17 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . . 5951 1 127 . 1 1 17 17 LYS HE3 H 1 2.89 0.01 . 1 . . . . . . . . . 5951 1 128 . 1 1 17 17 LYS N N 15 119.9 0.1 . 1 . . . . . . . . . 5951 1 129 . 1 1 18 18 LEU H H 1 7.32 0.01 . 1 . . . . . . . . . 5951 1 130 . 1 1 18 18 LEU HA H 1 4.03 0.01 . 1 . . . . . . . . . 5951 1 131 . 1 1 18 18 LEU HB2 H 1 2.00 0.01 . 2 . . . . . . . . . 5951 1 132 . 1 1 18 18 LEU HB3 H 1 1.15 0.01 . 2 . . . . . . . . . 5951 1 133 . 1 1 18 18 LEU HG H 1 1.90 0.01 . 1 . . . . . . . . . 5951 1 134 . 1 1 18 18 LEU HD11 H 1 0.80 0.01 . 2 . . . . . . . . . 5951 1 135 . 1 1 18 18 LEU HD12 H 1 0.80 0.01 . 2 . . . . . . . . . 5951 1 136 . 1 1 18 18 LEU HD13 H 1 0.80 0.01 . 2 . . . . . . . . . 5951 1 137 . 1 1 18 18 LEU HD21 H 1 0.76 0.01 . 2 . . . . . . . . . 5951 1 138 . 1 1 18 18 LEU HD22 H 1 0.76 0.01 . 2 . . . . . . . . . 5951 1 139 . 1 1 18 18 LEU HD23 H 1 0.76 0.01 . 2 . . . . . . . . . 5951 1 140 . 1 1 18 18 LEU N N 15 118.3 0.1 . 1 . . . . . . . . . 5951 1 141 . 1 1 19 19 ILE H H 1 8.42 0.01 . 1 . . . . . . . . . 5951 1 142 . 1 1 19 19 ILE HA H 1 3.66 0.01 . 1 . . . . . . . . . 5951 1 143 . 1 1 19 19 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . . 5951 1 144 . 1 1 19 19 ILE HG12 H 1 1.77 0.01 . 2 . . . . . . . . . 5951 1 145 . 1 1 19 19 ILE HG13 H 1 0.81 0.01 . 2 . . . . . . . . . 5951 1 146 . 1 1 19 19 ILE HG21 H 1 0.95 0.01 . 1 . . . . . . . . . 5951 1 147 . 1 1 19 19 ILE HG22 H 1 0.95 0.01 . 1 . . . . . . . . . 5951 1 148 . 1 1 19 19 ILE HG23 H 1 0.95 0.01 . 1 . . . . . . . . . 5951 1 149 . 1 1 19 19 ILE HD11 H 1 0.77 0.01 . 1 . . . . . . . . . 5951 1 150 . 1 1 19 19 ILE HD12 H 1 0.77 0.01 . 1 . . . . . . . . . 5951 1 151 . 1 1 19 19 ILE HD13 H 1 0.77 0.01 . 1 . . . . . . . . . 5951 1 152 . 1 1 19 19 ILE N N 15 122.1 0.1 . 1 . . . . . . . . . 5951 1 153 . 1 1 20 20 ASP H H 1 8.59 0.01 . 1 . . . . . . . . . 5951 1 154 . 1 1 20 20 ASP HA H 1 4.48 0.01 . 1 . . . . . . . . . 5951 1 155 . 1 1 20 20 ASP HB2 H 1 2.82 0.01 . 1 . . . . . . . . . 5951 1 156 . 1 1 20 20 ASP HB3 H 1 2.68 0.01 . 1 . . . . . . . . . 5951 1 157 . 1 1 20 20 ASP N N 15 122.2 0.1 . 1 . . . . . . . . . 5951 1 158 . 1 1 21 21 ASN H H 1 7.46 0.01 . 1 . . . . . . . . . 5951 1 159 . 1 1 21 21 ASN HA H 1 4.88 0.01 . 1 . . . . . . . . . 5951 1 160 . 1 1 21 21 ASN HB2 H 1 2.69 0.01 . 1 . . . . . . . . . 5951 1 161 . 1 1 21 21 ASN HB3 H 1 3.01 0.01 . 1 . . . . . . . . . 5951 1 162 . 1 1 21 21 ASN HD21 H 1 7.51 0.01 . 1 . . . . . . . . . 5951 1 163 . 1 1 21 21 ASN HD22 H 1 6.83 0.01 . 1 . . . . . . . . . 5951 1 164 . 1 1 21 21 ASN N N 15 116.4 0.1 . 1 . . . . . . . . . 5951 1 165 . 1 1 21 21 ASN ND2 N 15 112.4 0.1 . 1 . . . . . . . . . 5951 1 166 . 1 1 22 22 ASN H H 1 8.22 0.01 . 1 . . . . . . . . . 5951 1 167 . 1 1 22 22 ASN HA H 1 4.49 0.01 . 1 . . . . . . . . . 5951 1 168 . 1 1 22 22 ASN HB2 H 1 2.89 0.01 . 1 . . . . . . . . . 5951 1 169 . 1 1 22 22 ASN HB3 H 1 3.10 0.01 . 1 . . . . . . . . . 5951 1 170 . 1 1 22 22 ASN HD21 H 1 7.52 0.01 . 1 . . . . . . . . . 5951 1 171 . 1 1 22 22 ASN HD22 H 1 6.89 0.01 . 1 . . . . . . . . . 5951 1 172 . 1 1 22 22 ASN N N 15 113.2 0.1 . 1 . . . . . . . . . 5951 1 173 . 1 1 22 22 ASN ND2 N 15 111.7 0.1 . 1 . . . . . . . . . 5951 1 174 . 1 1 23 23 LYS H H 1 7.65 0.01 . 1 . . . . . . . . . 5951 1 175 . 1 1 23 23 LYS HA H 1 4.54 0.01 . 1 . . . . . . . . . 5951 1 176 . 1 1 23 23 LYS HB2 H 1 1.71 0.01 . 2 . . . . . . . . . 5951 1 177 . 1 1 23 23 LYS HB3 H 1 1.51 0.01 . 2 . . . . . . . . . 5951 1 178 . 1 1 23 23 LYS HG2 H 1 1.54 0.01 . 2 . . . . . . . . . 5951 1 179 . 1 1 23 23 LYS HG3 H 1 1.45 0.01 . 2 . . . . . . . . . 5951 1 180 . 1 1 23 23 LYS HD3 H 1 1.66 0.01 . 2 . . . . . . . . . 5951 1 181 . 1 1 23 23 LYS HE2 H 1 2.91 0.01 . 1 . . . . . . . . . 5951 1 182 . 1 1 23 23 LYS HE3 H 1 2.91 0.01 . 1 . . . . . . . . . 5951 1 183 . 1 1 23 23 LYS N N 15 117.0 0.1 . 1 . . . . . . . . . 5951 1 184 . 1 1 24 24 THR H H 1 8.93 0.01 . 1 . . . . . . . . . 5951 1 185 . 1 1 24 24 THR HA H 1 4.37 0.01 . 1 . . . . . . . . . 5951 1 186 . 1 1 24 24 THR HB H 1 4.71 0.01 . 1 . . . . . . . . . 5951 1 187 . 1 1 24 24 THR HG21 H 1 1.38 0.01 . 1 . . . . . . . . . 5951 1 188 . 1 1 24 24 THR HG22 H 1 1.38 0.01 . 1 . . . . . . . . . 5951 1 189 . 1 1 24 24 THR HG23 H 1 1.38 0.01 . 1 . . . . . . . . . 5951 1 190 . 1 1 24 24 THR N N 15 112.0 0.1 . 1 . . . . . . . . . 5951 1 191 . 1 1 25 25 GLU H H 1 8.85 0.01 . 1 . . . . . . . . . 5951 1 192 . 1 1 25 25 GLU HA H 1 3.78 0.01 . 1 . . . . . . . . . 5951 1 193 . 1 1 25 25 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . . 5951 1 194 . 1 1 25 25 GLU HG2 H 1 2.25 0.01 . 2 . . . . . . . . . 5951 1 195 . 1 1 25 25 GLU HG3 H 1 2.17 0.01 . 2 . . . . . . . . . 5951 1 196 . 1 1 25 25 GLU N N 15 119.9 0.1 . 1 . . . . . . . . . 5951 1 197 . 1 1 26 26 LYS H H 1 8.11 0.01 . 1 . . . . . . . . . 5951 1 198 . 1 1 26 26 LYS HA H 1 3.94 0.01 . 1 . . . . . . . . . 5951 1 199 . 1 1 26 26 LYS HB2 H 1 1.89 0.01 . 2 . . . . . . . . . 5951 1 200 . 1 1 26 26 LYS HB3 H 1 1.75 0.01 . 2 . . . . . . . . . 5951 1 201 . 1 1 26 26 LYS HG2 H 1 1.49 0.01 . 2 . . . . . . . . . 5951 1 202 . 1 1 26 26 LYS HG3 H 1 1.44 0.01 . 2 . . . . . . . . . 5951 1 203 . 1 1 26 26 LYS HD3 H 1 1.64 0.01 . 2 . . . . . . . . . 5951 1 204 . 1 1 26 26 LYS HE2 H 1 3.15 0.01 . 2 . . . . . . . . . 5951 1 205 . 1 1 26 26 LYS HE3 H 1 3.03 0.01 . 2 . . . . . . . . . 5951 1 206 . 1 1 26 26 LYS N N 15 116.4 0.1 . 1 . . . . . . . . . 5951 1 207 . 1 1 27 27 GLU H H 1 7.48 0.01 . 1 . . . . . . . . . 5951 1 208 . 1 1 27 27 GLU HA H 1 4.02 0.01 . 1 . . . . . . . . . 5951 1 209 . 1 1 27 27 GLU HB2 H 1 2.40 0.01 . 2 . . . . . . . . . 5951 1 210 . 1 1 27 27 GLU HB3 H 1 1.90 0.01 . 2 . . . . . . . . . 5951 1 211 . 1 1 27 27 GLU HG3 H 1 2.26 0.01 . 2 . . . . . . . . . 5951 1 212 . 1 1 27 27 GLU N N 15 117.5 0.1 . 1 . . . . . . . . . 5951 1 213 . 1 1 28 28 ILE H H 1 8.34 0.01 . 1 . . . . . . . . . 5951 1 214 . 1 1 28 28 ILE HA H 1 3.39 0.01 . 1 . . . . . . . . . 5951 1 215 . 1 1 28 28 ILE HB H 1 1.77 0.01 . 1 . . . . . . . . . 5951 1 216 . 1 1 28 28 ILE HG21 H 1 0.63 0.01 . 1 . . . . . . . . . 5951 1 217 . 1 1 28 28 ILE HG22 H 1 0.63 0.01 . 1 . . . . . . . . . 5951 1 218 . 1 1 28 28 ILE HG23 H 1 0.63 0.01 . 1 . . . . . . . . . 5951 1 219 . 1 1 28 28 ILE HD11 H 1 0.59 0.01 . 1 . . . . . . . . . 5951 1 220 . 1 1 28 28 ILE HD12 H 1 0.59 0.01 . 1 . . . . . . . . . 5951 1 221 . 1 1 28 28 ILE HD13 H 1 0.59 0.01 . 1 . . . . . . . . . 5951 1 222 . 1 1 28 28 ILE N N 15 121.9 0.1 . 1 . . . . . . . . . 5951 1 223 . 1 1 29 29 LEU H H 1 8.32 0.01 . 1 . . . . . . . . . 5951 1 224 . 1 1 29 29 LEU HA H 1 3.89 0.01 . 1 . . . . . . . . . 5951 1 225 . 1 1 29 29 LEU HB2 H 1 1.88 0.01 . 1 . . . . . . . . . 5951 1 226 . 1 1 29 29 LEU HB3 H 1 1.53 0.01 . 1 . . . . . . . . . 5951 1 227 . 1 1 29 29 LEU HG H 1 1.79 0.01 . 1 . . . . . . . . . 5951 1 228 . 1 1 29 29 LEU HD11 H 1 0.90 0.01 . 2 . . . . . . . . . 5951 1 229 . 1 1 29 29 LEU HD12 H 1 0.90 0.01 . 2 . . . . . . . . . 5951 1 230 . 1 1 29 29 LEU HD13 H 1 0.90 0.01 . 2 . . . . . . . . . 5951 1 231 . 1 1 29 29 LEU HD21 H 1 0.93 0.01 . 2 . . . . . . . . . 5951 1 232 . 1 1 29 29 LEU HD22 H 1 0.93 0.01 . 2 . . . . . . . . . 5951 1 233 . 1 1 29 29 LEU HD23 H 1 0.93 0.01 . 2 . . . . . . . . . 5951 1 234 . 1 1 29 29 LEU N N 15 119.1 0.1 . 1 . . . . . . . . . 5951 1 235 . 1 1 30 30 ASP H H 1 7.96 0.01 . 1 . . . . . . . . . 5951 1 236 . 1 1 30 30 ASP HA H 1 4.50 0.01 . 1 . . . . . . . . . 5951 1 237 . 1 1 30 30 ASP HB2 H 1 2.75 0.01 . 1 . . . . . . . . . 5951 1 238 . 1 1 30 30 ASP HB3 H 1 2.68 0.01 . 1 . . . . . . . . . 5951 1 239 . 1 1 30 30 ASP N N 15 118.1 0.1 . 1 . . . . . . . . . 5951 1 240 . 1 1 31 31 ALA H H 1 7.77 0.01 . 1 . . . . . . . . . 5951 1 241 . 1 1 31 31 ALA HA H 1 4.30 0.01 . 1 . . . . . . . . . 5951 1 242 . 1 1 31 31 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . . 5951 1 243 . 1 1 31 31 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . . 5951 1 244 . 1 1 31 31 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . . 5951 1 245 . 1 1 31 31 ALA N N 15 122.2 0.1 . 1 . . . . . . . . . 5951 1 246 . 1 1 32 32 PHE H H 1 7.93 0.01 . 1 . . . . . . . . . 5951 1 247 . 1 1 32 32 PHE HA H 1 4.64 0.01 . 1 . . . . . . . . . 5951 1 248 . 1 1 32 32 PHE HB2 H 1 3.39 0.01 . 1 . . . . . . . . . 5951 1 249 . 1 1 32 32 PHE HB3 H 1 3.33 0.01 . 1 . . . . . . . . . 5951 1 250 . 1 1 32 32 PHE HD1 H 1 7.49 0.01 . 1 . . . . . . . . . 5951 1 251 . 1 1 32 32 PHE HD2 H 1 7.49 0.01 . 1 . . . . . . . . . 5951 1 252 . 1 1 32 32 PHE HE1 H 1 7.05 0.01 . 1 . . . . . . . . . 5951 1 253 . 1 1 32 32 PHE HE2 H 1 7.05 0.01 . 1 . . . . . . . . . 5951 1 254 . 1 1 32 32 PHE HZ H 1 6.78 0.01 . 1 . . . . . . . . . 5951 1 255 . 1 1 32 32 PHE N N 15 119.6 0.1 . 1 . . . . . . . . . 5951 1 256 . 1 1 33 33 ASP H H 1 7.98 0.01 . 1 . . . . . . . . . 5951 1 257 . 1 1 33 33 ASP HA H 1 4.57 0.01 . 1 . . . . . . . . . 5951 1 258 . 1 1 33 33 ASP HB2 H 1 2.88 0.01 . 1 . . . . . . . . . 5951 1 259 . 1 1 33 33 ASP HB3 H 1 2.80 0.01 . 1 . . . . . . . . . 5951 1 260 . 1 1 33 33 ASP N N 15 116.7 0.1 . 1 . . . . . . . . . 5951 1 261 . 1 1 34 34 LYS H H 1 7.62 0.01 . 1 . . . . . . . . . 5951 1 262 . 1 1 34 34 LYS HA H 1 4.66 0.01 . 1 . . . . . . . . . 5951 1 263 . 1 1 34 34 LYS HB2 H 1 1.85 0.01 . 1 . . . . . . . . . 5951 1 264 . 1 1 34 34 LYS HB3 H 1 2.09 0.01 . 1 . . . . . . . . . 5951 1 265 . 1 1 34 34 LYS HG2 H 1 1.54 0.01 . 2 . . . . . . . . . 5951 1 266 . 1 1 34 34 LYS HG3 H 1 1.51 0.01 . 2 . . . . . . . . . 5951 1 267 . 1 1 34 34 LYS HD2 H 1 1.76 0.01 . 2 . . . . . . . . . 5951 1 268 . 1 1 34 34 LYS HD3 H 1 1.70 0.01 . 2 . . . . . . . . . 5951 1 269 . 1 1 34 34 LYS HE2 H 1 3.10 0.01 . 2 . . . . . . . . . 5951 1 270 . 1 1 34 34 LYS HE3 H 1 3.04 0.01 . 2 . . . . . . . . . 5951 1 271 . 1 1 34 34 LYS N N 15 116.2 0.1 . 1 . . . . . . . . . 5951 1 272 . 1 1 35 35 MET H H 1 7.80 0.01 . 1 . . . . . . . . . 5951 1 273 . 1 1 35 35 MET HA H 1 4.16 0.01 . 1 . . . . . . . . . 5951 1 274 . 1 1 35 35 MET HB2 H 1 2.40 0.01 . 1 . . . . . . . . . 5951 1 275 . 1 1 35 35 MET HB3 H 1 2.00 0.01 . 1 . . . . . . . . . 5951 1 276 . 1 1 35 35 MET HG2 H 1 2.74 0.01 . 2 . . . . . . . . . 5951 1 277 . 1 1 35 35 MET HG3 H 1 2.64 0.01 . 2 . . . . . . . . . 5951 1 278 . 1 1 35 35 MET HE1 H 1 1.69 0.01 . 1 . . . . . . . . . 5951 1 279 . 1 1 35 35 MET HE2 H 1 1.69 0.01 . 1 . . . . . . . . . 5951 1 280 . 1 1 35 35 MET HE3 H 1 1.69 0.01 . 1 . . . . . . . . . 5951 1 281 . 1 1 35 35 MET N N 15 121.1 0.1 . 1 . . . . . . . . . 5951 1 282 . 1 1 36 36 CYS H H 1 8.68 0.01 . 1 . . . . . . . . . 5951 1 283 . 1 1 36 36 CYS HA H 1 4.60 0.01 . 1 . . . . . . . . . 5951 1 284 . 1 1 36 36 CYS HB2 H 1 3.06 0.01 . 2 . . . . . . . . . 5951 1 285 . 1 1 36 36 CYS HB3 H 1 2.99 0.01 . 2 . . . . . . . . . 5951 1 286 . 1 1 36 36 CYS N N 15 113.4 0.1 . 1 . . . . . . . . . 5951 1 287 . 1 1 37 37 SER H H 1 8.00 0.01 . 1 . . . . . . . . . 5951 1 288 . 1 1 37 37 SER HA H 1 4.40 0.01 . 1 . . . . . . . . . 5951 1 289 . 1 1 37 37 SER HB2 H 1 4.07 0.01 . 1 . . . . . . . . . 5951 1 290 . 1 1 37 37 SER HB3 H 1 4.07 0.01 . 1 . . . . . . . . . 5951 1 291 . 1 1 37 37 SER N N 15 115.4 0.1 . 1 . . . . . . . . . 5951 1 292 . 1 1 38 38 LYS H H 1 7.59 0.01 . 1 . . . . . . . . . 5951 1 293 . 1 1 38 38 LYS HA H 1 4.36 0.01 . 1 . . . . . . . . . 5951 1 294 . 1 1 38 38 LYS HB2 H 1 2.15 0.01 . 2 . . . . . . . . . 5951 1 295 . 1 1 38 38 LYS HB3 H 1 2.09 0.01 . 2 . . . . . . . . . 5951 1 296 . 1 1 38 38 LYS HG2 H 1 1.55 0.01 . 1 . . . . . . . . . 5951 1 297 . 1 1 38 38 LYS HG3 H 1 1.55 0.01 . 1 . . . . . . . . . 5951 1 298 . 1 1 38 38 LYS HD2 H 1 1.83 0.01 . 2 . . . . . . . . . 5951 1 299 . 1 1 38 38 LYS HD3 H 1 1.74 0.01 . 2 . . . . . . . . . 5951 1 300 . 1 1 38 38 LYS HE2 H 1 3.06 0.01 . 1 . . . . . . . . . 5951 1 301 . 1 1 38 38 LYS HE3 H 1 3.06 0.01 . 1 . . . . . . . . . 5951 1 302 . 1 1 38 38 LYS N N 15 119.0 0.1 . 1 . . . . . . . . . 5951 1 303 . 1 1 39 39 LEU H H 1 7.16 0.01 . 1 . . . . . . . . . 5951 1 304 . 1 1 39 39 LEU HA H 1 4.37 0.01 . 1 . . . . . . . . . 5951 1 305 . 1 1 39 39 LEU HB2 H 1 1.57 0.01 . 2 . . . . . . . . . 5951 1 306 . 1 1 39 39 LEU HB3 H 1 1.24 0.01 . 2 . . . . . . . . . 5951 1 307 . 1 1 39 39 LEU HG H 1 0.88 0.01 . 1 . . . . . . . . . 5951 1 308 . 1 1 39 39 LEU HD11 H 1 0.19 0.01 . 2 . . . . . . . . . 5951 1 309 . 1 1 39 39 LEU HD12 H 1 0.19 0.01 . 2 . . . . . . . . . 5951 1 310 . 1 1 39 39 LEU HD13 H 1 0.19 0.01 . 2 . . . . . . . . . 5951 1 311 . 1 1 39 39 LEU HD21 H 1 0.62 0.01 . 2 . . . . . . . . . 5951 1 312 . 1 1 39 39 LEU HD22 H 1 0.62 0.01 . 2 . . . . . . . . . 5951 1 313 . 1 1 39 39 LEU HD23 H 1 0.62 0.01 . 2 . . . . . . . . . 5951 1 314 . 1 1 39 39 LEU N N 15 119.9 0.1 . 1 . . . . . . . . . 5951 1 315 . 1 1 43 43 LEU H H 1 7.66 0.01 . 1 . . . . . . . . . 5951 1 316 . 1 1 43 43 LEU HA H 1 4.84 0.01 . 1 . . . . . . . . . 5951 1 317 . 1 1 43 43 LEU HB2 H 1 1.62 0.01 . 2 . . . . . . . . . 5951 1 318 . 1 1 43 43 LEU HB3 H 1 1.46 0.01 . 2 . . . . . . . . . 5951 1 319 . 1 1 43 43 LEU HG H 1 1.53 0.01 . 1 . . . . . . . . . 5951 1 320 . 1 1 43 43 LEU HD11 H 1 0.77 0.01 . 2 . . . . . . . . . 5951 1 321 . 1 1 43 43 LEU HD12 H 1 0.77 0.01 . 2 . . . . . . . . . 5951 1 322 . 1 1 43 43 LEU HD13 H 1 0.77 0.01 . 2 . . . . . . . . . 5951 1 323 . 1 1 43 43 LEU HD21 H 1 0.79 0.01 . 2 . . . . . . . . . 5951 1 324 . 1 1 43 43 LEU HD22 H 1 0.79 0.01 . 2 . . . . . . . . . 5951 1 325 . 1 1 43 43 LEU HD23 H 1 0.79 0.01 . 2 . . . . . . . . . 5951 1 326 . 1 1 43 43 LEU N N 15 120.8 0.1 . 1 . . . . . . . . . 5951 1 327 . 1 1 44 44 SER H H 1 7.75 0.01 . 1 . . . . . . . . . 5951 1 328 . 1 1 44 44 SER HA H 1 3.95 0.01 . 1 . . . . . . . . . 5951 1 329 . 1 1 44 44 SER HB2 H 1 3.99 0.01 . 1 . . . . . . . . . 5951 1 330 . 1 1 44 44 SER HB3 H 1 3.99 0.01 . 1 . . . . . . . . . 5951 1 331 . 1 1 44 44 SER N N 15 115.4 0.1 . 1 . . . . . . . . . 5951 1 332 . 1 1 45 45 GLU H H 1 8.74 0.01 . 1 . . . . . . . . . 5951 1 333 . 1 1 45 45 GLU HA H 1 4.10 0.01 . 1 . . . . . . . . . 5951 1 334 . 1 1 45 45 GLU HB2 H 1 2.04 0.01 . 1 . . . . . . . . . 5951 1 335 . 1 1 45 45 GLU HB3 H 1 2.04 0.01 . 1 . . . . . . . . . 5951 1 336 . 1 1 45 45 GLU HG2 H 1 2.41 0.01 . 2 . . . . . . . . . 5951 1 337 . 1 1 45 45 GLU HG3 H 1 2.29 0.01 . 2 . . . . . . . . . 5951 1 338 . 1 1 45 45 GLU N N 15 122.9 0.1 . 1 . . . . . . . . . 5951 1 339 . 1 1 46 46 GLU H H 1 9.33 0.01 . 1 . . . . . . . . . 5951 1 340 . 1 1 46 46 GLU HA H 1 4.18 0.01 . 1 . . . . . . . . . 5951 1 341 . 1 1 46 46 GLU HB2 H 1 1.99 0.01 . 2 . . . . . . . . . 5951 1 342 . 1 1 46 46 GLU HB3 H 1 1.46 0.01 . 2 . . . . . . . . . 5951 1 343 . 1 1 46 46 GLU HG2 H 1 2.21 0.01 . 1 . . . . . . . . . 5951 1 344 . 1 1 46 46 GLU HG3 H 1 2.21 0.01 . 1 . . . . . . . . . 5951 1 345 . 1 1 46 46 GLU N N 15 121.9 0.1 . 1 . . . . . . . . . 5951 1 346 . 1 1 47 47 CYS H H 1 8.53 0.01 . 1 . . . . . . . . . 5951 1 347 . 1 1 47 47 CYS HA H 1 4.17 0.01 . 1 . . . . . . . . . 5951 1 348 . 1 1 47 47 CYS HB2 H 1 2.85 0.01 . 1 . . . . . . . . . 5951 1 349 . 1 1 47 47 CYS HB3 H 1 3.35 0.01 . 1 . . . . . . . . . 5951 1 350 . 1 1 47 47 CYS N N 15 116.9 0.1 . 1 . . . . . . . . . 5951 1 351 . 1 1 48 48 GLN H H 1 8.16 0.01 . 1 . . . . . . . . . 5951 1 352 . 1 1 48 48 GLN HA H 1 3.87 0.01 . 1 . . . . . . . . . 5951 1 353 . 1 1 48 48 GLN HB2 H 1 2.23 0.01 . 1 . . . . . . . . . 5951 1 354 . 1 1 48 48 GLN HB3 H 1 2.23 0.01 . 1 . . . . . . . . . 5951 1 355 . 1 1 48 48 GLN HG2 H 1 2.56 0.01 . 2 . . . . . . . . . 5951 1 356 . 1 1 48 48 GLN HG3 H 1 2.45 0.01 . 2 . . . . . . . . . 5951 1 357 . 1 1 48 48 GLN HE21 H 1 7.80 0.01 . 1 . . . . . . . . . 5951 1 358 . 1 1 48 48 GLN HE22 H 1 6.85 0.01 . 1 . . . . . . . . . 5951 1 359 . 1 1 48 48 GLN N N 15 120.2 0.1 . 1 . . . . . . . . . 5951 1 360 . 1 1 48 48 GLN NE2 N 15 114.8 0.1 . 1 . . . . . . . . . 5951 1 361 . 1 1 49 49 GLU H H 1 7.97 0.01 . 1 . . . . . . . . . 5951 1 362 . 1 1 49 49 GLU HA H 1 4.24 0.01 . 1 . . . . . . . . . 5951 1 363 . 1 1 49 49 GLU HB2 H 1 2.42 0.01 . 2 . . . . . . . . . 5951 1 364 . 1 1 49 49 GLU HB3 H 1 2.28 0.01 . 2 . . . . . . . . . 5951 1 365 . 1 1 49 49 GLU HG2 H 1 2.53 0.01 . 2 . . . . . . . . . 5951 1 366 . 1 1 49 49 GLU HG3 H 1 2.33 0.01 . 2 . . . . . . . . . 5951 1 367 . 1 1 49 49 GLU N N 15 118.7 0.1 . 1 . . . . . . . . . 5951 1 368 . 1 1 50 50 VAL H H 1 8.23 0.01 . 1 . . . . . . . . . 5951 1 369 . 1 1 50 50 VAL HA H 1 3.85 0.01 . 1 . . . . . . . . . 5951 1 370 . 1 1 50 50 VAL HB H 1 2.23 0.01 . 1 . . . . . . . . . 5951 1 371 . 1 1 50 50 VAL HG11 H 1 0.80 0.01 . 2 . . . . . . . . . 5951 1 372 . 1 1 50 50 VAL HG12 H 1 0.80 0.01 . 2 . . . . . . . . . 5951 1 373 . 1 1 50 50 VAL HG13 H 1 0.80 0.01 . 2 . . . . . . . . . 5951 1 374 . 1 1 50 50 VAL HG21 H 1 1.10 0.01 . 2 . . . . . . . . . 5951 1 375 . 1 1 50 50 VAL HG22 H 1 1.10 0.01 . 2 . . . . . . . . . 5951 1 376 . 1 1 50 50 VAL HG23 H 1 1.10 0.01 . 2 . . . . . . . . . 5951 1 377 . 1 1 50 50 VAL N N 15 120.3 0.1 . 1 . . . . . . . . . 5951 1 378 . 1 1 51 51 VAL H H 1 8.91 0.01 . 1 . . . . . . . . . 5951 1 379 . 1 1 51 51 VAL HA H 1 3.03 0.01 . 1 . . . . . . . . . 5951 1 380 . 1 1 51 51 VAL HB H 1 2.15 0.01 . 1 . . . . . . . . . 5951 1 381 . 1 1 51 51 VAL HG11 H 1 0.83 0.01 . 2 . . . . . . . . . 5951 1 382 . 1 1 51 51 VAL HG12 H 1 0.83 0.01 . 2 . . . . . . . . . 5951 1 383 . 1 1 51 51 VAL HG13 H 1 0.83 0.01 . 2 . . . . . . . . . 5951 1 384 . 1 1 51 51 VAL HG21 H 1 1.04 0.01 . 2 . . . . . . . . . 5951 1 385 . 1 1 51 51 VAL HG22 H 1 1.04 0.01 . 2 . . . . . . . . . 5951 1 386 . 1 1 51 51 VAL HG23 H 1 1.04 0.01 . 2 . . . . . . . . . 5951 1 387 . 1 1 51 51 VAL N N 15 122.0 0.1 . 1 . . . . . . . . . 5951 1 388 . 1 1 52 52 ASP H H 1 8.66 0.01 . 1 . . . . . . . . . 5951 1 389 . 1 1 52 52 ASP HA H 1 4.38 0.01 . 1 . . . . . . . . . 5951 1 390 . 1 1 52 52 ASP HB2 H 1 2.86 0.01 . 1 . . . . . . . . . 5951 1 391 . 1 1 52 52 ASP HB3 H 1 2.69 0.01 . 1 . . . . . . . . . 5951 1 392 . 1 1 52 52 ASP N N 15 120.1 0.1 . 1 . . . . . . . . . 5951 1 393 . 1 1 53 53 THR H H 1 8.03 0.01 . 1 . . . . . . . . . 5951 1 394 . 1 1 53 53 THR HA H 1 4.02 0.01 . 1 . . . . . . . . . 5951 1 395 . 1 1 53 53 THR HB H 1 3.78 0.01 . 1 . . . . . . . . . 5951 1 396 . 1 1 53 53 THR HG21 H 1 0.49 0.01 . 1 . . . . . . . . . 5951 1 397 . 1 1 53 53 THR HG22 H 1 0.49 0.01 . 1 . . . . . . . . . 5951 1 398 . 1 1 53 53 THR HG23 H 1 0.49 0.01 . 1 . . . . . . . . . 5951 1 399 . 1 1 53 53 THR N N 15 113.0 0.1 . 1 . . . . . . . . . 5951 1 400 . 1 1 54 54 TYR H H 1 8.93 0.01 . 1 . . . . . . . . . 5951 1 401 . 1 1 54 54 TYR HA H 1 4.79 0.01 . 1 . . . . . . . . . 5951 1 402 . 1 1 54 54 TYR HB2 H 1 3.21 0.01 . 2 . . . . . . . . . 5951 1 403 . 1 1 54 54 TYR HB3 H 1 2.80 0.01 . 2 . . . . . . . . . 5951 1 404 . 1 1 54 54 TYR HD1 H 1 7.23 0.01 . 1 . . . . . . . . . 5951 1 405 . 1 1 54 54 TYR HD2 H 1 7.23 0.01 . 1 . . . . . . . . . 5951 1 406 . 1 1 54 54 TYR HE1 H 1 6.91 0.01 . 1 . . . . . . . . . 5951 1 407 . 1 1 54 54 TYR HE2 H 1 6.91 0.01 . 1 . . . . . . . . . 5951 1 408 . 1 1 54 54 TYR N N 15 116.8 0.1 . 1 . . . . . . . . . 5951 1 409 . 1 1 55 55 GLY H H 1 8.33 0.01 . 1 . . . . . . . . . 5951 1 410 . 1 1 55 55 GLY HA2 H 1 3.57 0.01 . 2 . . . . . . . . . 5951 1 411 . 1 1 55 55 GLY HA3 H 1 3.25 0.01 . 2 . . . . . . . . . 5951 1 412 . 1 1 55 55 GLY N N 15 112.3 0.1 . 1 . . . . . . . . . 5951 1 413 . 1 1 56 56 SER H H 1 8.74 0.01 . 1 . . . . . . . . . 5951 1 414 . 1 1 56 56 SER HA H 1 4.21 0.01 . 1 . . . . . . . . . 5951 1 415 . 1 1 56 56 SER HB2 H 1 4.04 0.01 . 2 . . . . . . . . . 5951 1 416 . 1 1 56 56 SER HB3 H 1 3.95 0.01 . 2 . . . . . . . . . 5951 1 417 . 1 1 56 56 SER N N 15 114.5 0.1 . 1 . . . . . . . . . 5951 1 418 . 1 1 57 57 SER H H 1 7.79 0.01 . 1 . . . . . . . . . 5951 1 419 . 1 1 57 57 SER HA H 1 4.50 0.01 . 1 . . . . . . . . . 5951 1 420 . 1 1 57 57 SER HB2 H 1 4.22 0.01 . 2 . . . . . . . . . 5951 1 421 . 1 1 57 57 SER HB3 H 1 4.04 0.01 . 2 . . . . . . . . . 5951 1 422 . 1 1 57 57 SER N N 15 120.3 0.1 . 1 . . . . . . . . . 5951 1 423 . 1 1 58 58 ILE H H 1 8.60 0.01 . 1 . . . . . . . . . 5951 1 424 . 1 1 58 58 ILE HA H 1 3.41 0.01 . 1 . . . . . . . . . 5951 1 425 . 1 1 58 58 ILE HB H 1 2.14 0.01 . 1 . . . . . . . . . 5951 1 426 . 1 1 58 58 ILE HG13 H 1 1.77 0.01 . 2 . . . . . . . . . 5951 1 427 . 1 1 58 58 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . . 5951 1 428 . 1 1 58 58 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . . 5951 1 429 . 1 1 58 58 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . . 5951 1 430 . 1 1 58 58 ILE HD11 H 1 0.71 0.01 . 1 . . . . . . . . . 5951 1 431 . 1 1 58 58 ILE HD12 H 1 0.71 0.01 . 1 . . . . . . . . . 5951 1 432 . 1 1 58 58 ILE HD13 H 1 0.71 0.01 . 1 . . . . . . . . . 5951 1 433 . 1 1 58 58 ILE N N 15 122.4 0.1 . 1 . . . . . . . . . 5951 1 434 . 1 1 59 59 LEU H H 1 7.90 0.01 . 1 . . . . . . . . . 5951 1 435 . 1 1 59 59 LEU HA H 1 4.11 0.01 . 1 . . . . . . . . . 5951 1 436 . 1 1 59 59 LEU HB2 H 1 1.55 0.01 . 1 . . . . . . . . . 5951 1 437 . 1 1 59 59 LEU HB3 H 1 2.20 0.01 . 1 . . . . . . . . . 5951 1 438 . 1 1 59 59 LEU HG H 1 1.73 0.01 . 1 . . . . . . . . . 5951 1 439 . 1 1 59 59 LEU HD11 H 1 0.97 0.01 . 2 . . . . . . . . . 5951 1 440 . 1 1 59 59 LEU HD12 H 1 0.97 0.01 . 2 . . . . . . . . . 5951 1 441 . 1 1 59 59 LEU HD13 H 1 0.97 0.01 . 2 . . . . . . . . . 5951 1 442 . 1 1 59 59 LEU HD21 H 1 1.00 0.01 . 2 . . . . . . . . . 5951 1 443 . 1 1 59 59 LEU HD22 H 1 1.00 0.01 . 2 . . . . . . . . . 5951 1 444 . 1 1 59 59 LEU HD23 H 1 1.00 0.01 . 2 . . . . . . . . . 5951 1 445 . 1 1 59 59 LEU N N 15 116.6 0.1 . 1 . . . . . . . . . 5951 1 446 . 1 1 60 60 SER H H 1 8.20 0.01 . 1 . . . . . . . . . 5951 1 447 . 1 1 60 60 SER HA H 1 4.09 0.01 . 1 . . . . . . . . . 5951 1 448 . 1 1 60 60 SER HB2 H 1 4.04 0.01 . 2 . . . . . . . . . 5951 1 449 . 1 1 60 60 SER HB3 H 1 4.03 0.01 . 2 . . . . . . . . . 5951 1 450 . 1 1 60 60 SER N N 15 112.5 0.1 . 1 . . . . . . . . . 5951 1 451 . 1 1 61 61 ILE H H 1 8.27 0.01 . 1 . . . . . . . . . 5951 1 452 . 1 1 61 61 ILE HA H 1 3.80 0.01 . 1 . . . . . . . . . 5951 1 453 . 1 1 61 61 ILE HB H 1 1.81 0.01 . 1 . . . . . . . . . 5951 1 454 . 1 1 61 61 ILE HG13 H 1 1.02 0.01 . 2 . . . . . . . . . 5951 1 455 . 1 1 61 61 ILE HG21 H 1 0.90 0.01 . 1 . . . . . . . . . 5951 1 456 . 1 1 61 61 ILE HG22 H 1 0.90 0.01 . 1 . . . . . . . . . 5951 1 457 . 1 1 61 61 ILE HG23 H 1 0.90 0.01 . 1 . . . . . . . . . 5951 1 458 . 1 1 61 61 ILE HD11 H 1 0.83 0.01 . 1 . . . . . . . . . 5951 1 459 . 1 1 61 61 ILE HD12 H 1 0.83 0.01 . 1 . . . . . . . . . 5951 1 460 . 1 1 61 61 ILE HD13 H 1 0.83 0.01 . 1 . . . . . . . . . 5951 1 461 . 1 1 61 61 ILE N N 15 120.9 0.1 . 1 . . . . . . . . . 5951 1 462 . 1 1 62 62 LEU H H 1 7.91 0.01 . 1 . . . . . . . . . 5951 1 463 . 1 1 62 62 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . . 5951 1 464 . 1 1 62 62 LEU HB2 H 1 2.05 0.01 . 2 . . . . . . . . . 5951 1 465 . 1 1 62 62 LEU HB3 H 1 1.33 0.01 . 2 . . . . . . . . . 5951 1 466 . 1 1 62 62 LEU HG H 1 1.95 0.01 . 1 . . . . . . . . . 5951 1 467 . 1 1 62 62 LEU HD11 H 1 0.92 0.01 . 2 . . . . . . . . . 5951 1 468 . 1 1 62 62 LEU HD12 H 1 0.92 0.01 . 2 . . . . . . . . . 5951 1 469 . 1 1 62 62 LEU HD13 H 1 0.92 0.01 . 2 . . . . . . . . . 5951 1 470 . 1 1 62 62 LEU HD21 H 1 0.94 0.01 . 2 . . . . . . . . . 5951 1 471 . 1 1 62 62 LEU HD22 H 1 0.94 0.01 . 2 . . . . . . . . . 5951 1 472 . 1 1 62 62 LEU HD23 H 1 0.94 0.01 . 2 . . . . . . . . . 5951 1 473 . 1 1 62 62 LEU N N 15 119.1 0.1 . 1 . . . . . . . . . 5951 1 474 . 1 1 63 63 LEU H H 1 8.54 0.01 . 1 . . . . . . . . . 5951 1 475 . 1 1 63 63 LEU HA H 1 4.27 0.01 . 1 . . . . . . . . . 5951 1 476 . 1 1 63 63 LEU HB2 H 1 2.02 0.01 . 2 . . . . . . . . . 5951 1 477 . 1 1 63 63 LEU HB3 H 1 1.59 0.01 . 2 . . . . . . . . . 5951 1 478 . 1 1 63 63 LEU HG H 1 1.88 0.01 . 1 . . . . . . . . . 5951 1 479 . 1 1 63 63 LEU HD11 H 1 0.87 0.01 . 2 . . . . . . . . . 5951 1 480 . 1 1 63 63 LEU HD12 H 1 0.87 0.01 . 2 . . . . . . . . . 5951 1 481 . 1 1 63 63 LEU HD13 H 1 0.87 0.01 . 2 . . . . . . . . . 5951 1 482 . 1 1 63 63 LEU HD21 H 1 0.88 0.01 . 2 . . . . . . . . . 5951 1 483 . 1 1 63 63 LEU HD22 H 1 0.88 0.01 . 2 . . . . . . . . . 5951 1 484 . 1 1 63 63 LEU HD23 H 1 0.88 0.01 . 2 . . . . . . . . . 5951 1 485 . 1 1 63 63 LEU N N 15 120.9 0.1 . 1 . . . . . . . . . 5951 1 486 . 1 1 64 64 GLU H H 1 7.56 0.01 . 1 . . . . . . . . . 5951 1 487 . 1 1 64 64 GLU HA H 1 4.40 0.01 . 1 . . . . . . . . . 5951 1 488 . 1 1 64 64 GLU HB2 H 1 2.35 0.01 . 2 . . . . . . . . . 5951 1 489 . 1 1 64 64 GLU HB3 H 1 2.28 0.01 . 2 . . . . . . . . . 5951 1 490 . 1 1 64 64 GLU HG2 H 1 2.56 0.01 . 2 . . . . . . . . . 5951 1 491 . 1 1 64 64 GLU N N 15 119.2 0.1 . 1 . . . . . . . . . 5951 1 492 . 1 1 65 65 GLU H H 1 7.98 0.01 . 1 . . . . . . . . . 5951 1 493 . 1 1 65 65 GLU HA H 1 3.94 0.01 . 1 . . . . . . . . . 5951 1 494 . 1 1 65 65 GLU HB2 H 1 2.35 0.01 . 2 . . . . . . . . . 5951 1 495 . 1 1 65 65 GLU HB3 H 1 2.28 0.01 . 2 . . . . . . . . . 5951 1 496 . 1 1 65 65 GLU HG2 H 1 2.18 0.01 . 2 . . . . . . . . . 5951 1 497 . 1 1 65 65 GLU HG3 H 1 2.16 0.01 . 2 . . . . . . . . . 5951 1 498 . 1 1 65 65 GLU N N 15 111.7 0.1 . 1 . . . . . . . . . 5951 1 499 . 1 1 66 66 VAL H H 1 6.88 0.01 . 1 . . . . . . . . . 5951 1 500 . 1 1 66 66 VAL HA H 1 3.82 0.01 . 1 . . . . . . . . . 5951 1 501 . 1 1 66 66 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . . 5951 1 502 . 1 1 66 66 VAL HG11 H 1 0.82 0.01 . 2 . . . . . . . . . 5951 1 503 . 1 1 66 66 VAL HG12 H 1 0.82 0.01 . 2 . . . . . . . . . 5951 1 504 . 1 1 66 66 VAL HG13 H 1 0.82 0.01 . 2 . . . . . . . . . 5951 1 505 . 1 1 66 66 VAL HG21 H 1 1.05 0.01 . 2 . . . . . . . . . 5951 1 506 . 1 1 66 66 VAL HG22 H 1 1.05 0.01 . 2 . . . . . . . . . 5951 1 507 . 1 1 66 66 VAL HG23 H 1 1.05 0.01 . 2 . . . . . . . . . 5951 1 508 . 1 1 66 66 VAL N N 15 120.6 0.1 . 1 . . . . . . . . . 5951 1 509 . 1 1 67 67 SER H H 1 8.32 0.01 . 1 . . . . . . . . . 5951 1 510 . 1 1 67 67 SER HA H 1 4.52 0.01 . 1 . . . . . . . . . 5951 1 511 . 1 1 67 67 SER HB2 H 1 3.96 0.01 . 2 . . . . . . . . . 5951 1 512 . 1 1 67 67 SER HB3 H 1 3.88 0.01 . 2 . . . . . . . . . 5951 1 513 . 1 1 67 67 SER N N 15 122.3 0.1 . 1 . . . . . . . . . 5951 1 514 . 1 1 69 69 GLU H H 1 8.79 0.01 . 1 . . . . . . . . . 5951 1 515 . 1 1 69 69 GLU HA H 1 4.23 0.01 . 1 . . . . . . . . . 5951 1 516 . 1 1 69 69 GLU HB3 H 1 2.00 0.01 . 2 . . . . . . . . . 5951 1 517 . 1 1 69 69 GLU HG2 H 1 2.26 0.01 . 2 . . . . . . . . . 5951 1 518 . 1 1 69 69 GLU HG3 H 1 2.17 0.01 . 2 . . . . . . . . . 5951 1 519 . 1 1 69 69 GLU N N 15 114.4 0.1 . 1 . . . . . . . . . 5951 1 520 . 1 1 70 70 LEU H H 1 7.98 0.01 . 1 . . . . . . . . . 5951 1 521 . 1 1 70 70 LEU HA H 1 4.41 0.01 . 1 . . . . . . . . . 5951 1 522 . 1 1 70 70 LEU HB2 H 1 1.77 0.01 . 2 . . . . . . . . . 5951 1 523 . 1 1 70 70 LEU HB3 H 1 1.53 0.01 . 2 . . . . . . . . . 5951 1 524 . 1 1 70 70 LEU HG H 1 1.52 0.01 . 1 . . . . . . . . . 5951 1 525 . 1 1 70 70 LEU HD11 H 1 0.81 0.01 . 2 . . . . . . . . . 5951 1 526 . 1 1 70 70 LEU HD12 H 1 0.81 0.01 . 2 . . . . . . . . . 5951 1 527 . 1 1 70 70 LEU HD13 H 1 0.81 0.01 . 2 . . . . . . . . . 5951 1 528 . 1 1 70 70 LEU HD21 H 1 0.96 0.01 . 2 . . . . . . . . . 5951 1 529 . 1 1 70 70 LEU HD22 H 1 0.96 0.01 . 2 . . . . . . . . . 5951 1 530 . 1 1 70 70 LEU HD23 H 1 0.96 0.01 . 2 . . . . . . . . . 5951 1 531 . 1 1 70 70 LEU N N 15 118.2 0.1 . 1 . . . . . . . . . 5951 1 532 . 1 1 71 71 VAL H H 1 7.10 0.01 . 1 . . . . . . . . . 5951 1 533 . 1 1 71 71 VAL HA H 1 3.35 0.01 . 1 . . . . . . . . . 5951 1 534 . 1 1 71 71 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . . 5951 1 535 . 1 1 71 71 VAL HG11 H 1 0.82 0.01 . 2 . . . . . . . . . 5951 1 536 . 1 1 71 71 VAL HG12 H 1 0.82 0.01 . 2 . . . . . . . . . 5951 1 537 . 1 1 71 71 VAL HG13 H 1 0.82 0.01 . 2 . . . . . . . . . 5951 1 538 . 1 1 71 71 VAL HG21 H 1 1.05 0.01 . 2 . . . . . . . . . 5951 1 539 . 1 1 71 71 VAL HG22 H 1 1.05 0.01 . 2 . . . . . . . . . 5951 1 540 . 1 1 71 71 VAL HG23 H 1 1.05 0.01 . 2 . . . . . . . . . 5951 1 541 . 1 1 71 71 VAL N N 15 118.6 0.1 . 1 . . . . . . . . . 5951 1 542 . 1 1 72 72 CYS H H 1 9.22 0.01 . 1 . . . . . . . . . 5951 1 543 . 1 1 72 72 CYS HA H 1 4.06 0.01 . 1 . . . . . . . . . 5951 1 544 . 1 1 72 72 CYS HB2 H 1 3.00 0.01 . 1 . . . . . . . . . 5951 1 545 . 1 1 72 72 CYS HB3 H 1 2.82 0.01 . 1 . . . . . . . . . 5951 1 546 . 1 1 72 72 CYS N N 15 115.4 0.1 . 1 . . . . . . . . . 5951 1 547 . 1 1 73 73 SER H H 1 8.33 0.01 . 1 . . . . . . . . . 5951 1 548 . 1 1 73 73 SER HA H 1 4.60 0.01 . 1 . . . . . . . . . 5951 1 549 . 1 1 73 73 SER HB2 H 1 3.85 0.01 . 2 . . . . . . . . . 5951 1 550 . 1 1 73 73 SER HB3 H 1 3.76 0.01 . 2 . . . . . . . . . 5951 1 551 . 1 1 73 73 SER N N 15 117.7 0.1 . 1 . . . . . . . . . 5951 1 552 . 1 1 74 74 MET H H 1 8.28 0.01 . 1 . . . . . . . . . 5951 1 553 . 1 1 74 74 MET HA H 1 3.99 0.01 . 1 . . . . . . . . . 5951 1 554 . 1 1 74 74 MET HB2 H 1 2.27 0.01 . 1 . . . . . . . . . 5951 1 555 . 1 1 74 74 MET HB3 H 1 2.15 0.01 . 1 . . . . . . . . . 5951 1 556 . 1 1 74 74 MET HG2 H 1 2.66 0.01 . 2 . . . . . . . . . 5951 1 557 . 1 1 74 74 MET HG3 H 1 2.54 0.01 . 2 . . . . . . . . . 5951 1 558 . 1 1 74 74 MET HE1 H 1 2.07 0.01 . 1 . . . . . . . . . 5951 1 559 . 1 1 74 74 MET HE2 H 1 2.07 0.01 . 1 . . . . . . . . . 5951 1 560 . 1 1 74 74 MET HE3 H 1 2.07 0.01 . 1 . . . . . . . . . 5951 1 561 . 1 1 74 74 MET N N 15 125.5 0.1 . 1 . . . . . . . . . 5951 1 562 . 1 1 75 75 LEU H H 1 7.28 0.01 . 1 . . . . . . . . . 5951 1 563 . 1 1 75 75 LEU HA H 1 4.25 0.01 . 1 . . . . . . . . . 5951 1 564 . 1 1 75 75 LEU HB2 H 1 1.75 0.01 . 2 . . . . . . . . . 5951 1 565 . 1 1 75 75 LEU HB3 H 1 1.47 0.01 . 2 . . . . . . . . . 5951 1 566 . 1 1 75 75 LEU HG H 1 1.74 0.01 . 1 . . . . . . . . . 5951 1 567 . 1 1 75 75 LEU HD11 H 1 0.70 0.01 . 2 . . . . . . . . . 5951 1 568 . 1 1 75 75 LEU HD12 H 1 0.70 0.01 . 2 . . . . . . . . . 5951 1 569 . 1 1 75 75 LEU HD13 H 1 0.70 0.01 . 2 . . . . . . . . . 5951 1 570 . 1 1 75 75 LEU HD21 H 1 0.90 0.01 . 2 . . . . . . . . . 5951 1 571 . 1 1 75 75 LEU HD22 H 1 0.90 0.01 . 2 . . . . . . . . . 5951 1 572 . 1 1 75 75 LEU HD23 H 1 0.90 0.01 . 2 . . . . . . . . . 5951 1 573 . 1 1 75 75 LEU N N 15 114.7 0.1 . 1 . . . . . . . . . 5951 1 574 . 1 1 76 76 HIS H H 1 7.68 0.01 . 1 . . . . . . . . . 5951 1 575 . 1 1 76 76 HIS HA H 1 4.27 0.01 . 1 . . . . . . . . . 5951 1 576 . 1 1 76 76 HIS HB2 H 1 3.51 0.01 . 2 . . . . . . . . . 5951 1 577 . 1 1 76 76 HIS HB3 H 1 3.44 0.01 . 2 . . . . . . . . . 5951 1 578 . 1 1 76 76 HIS HD1 H 1 7.19 0.01 . 1 . . . . . . . . . 5951 1 579 . 1 1 76 76 HIS N N 15 111.3 0.1 . 1 . . . . . . . . . 5951 1 580 . 1 1 77 77 LEU H H 1 7.87 0.01 . 1 . . . . . . . . . 5951 1 581 . 1 1 77 77 LEU HA H 1 4.39 0.01 . 1 . . . . . . . . . 5951 1 582 . 1 1 77 77 LEU HB2 H 1 1.79 0.01 . 1 . . . . . . . . . 5951 1 583 . 1 1 77 77 LEU HB3 H 1 1.32 0.01 . 1 . . . . . . . . . 5951 1 584 . 1 1 77 77 LEU HG H 1 1.20 0.01 . 1 . . . . . . . . . 5951 1 585 . 1 1 77 77 LEU HD11 H 1 0.32 0.01 . 2 . . . . . . . . . 5951 1 586 . 1 1 77 77 LEU HD12 H 1 0.32 0.01 . 2 . . . . . . . . . 5951 1 587 . 1 1 77 77 LEU HD13 H 1 0.32 0.01 . 2 . . . . . . . . . 5951 1 588 . 1 1 77 77 LEU HD21 H 1 0.57 0.01 . 2 . . . . . . . . . 5951 1 589 . 1 1 77 77 LEU HD22 H 1 0.57 0.01 . 2 . . . . . . . . . 5951 1 590 . 1 1 77 77 LEU HD23 H 1 0.57 0.01 . 2 . . . . . . . . . 5951 1 591 . 1 1 77 77 LEU N N 15 116.7 0.1 . 1 . . . . . . . . . 5951 1 592 . 1 1 78 78 CYS H H 1 6.91 0.01 . 1 . . . . . . . . . 5951 1 593 . 1 1 78 78 CYS HA H 1 4.90 0.01 . 1 . . . . . . . . . 5951 1 594 . 1 1 78 78 CYS HB2 H 1 3.17 0.01 . 1 . . . . . . . . . 5951 1 595 . 1 1 78 78 CYS HB3 H 1 2.18 0.01 . 1 . . . . . . . . . 5951 1 596 . 1 1 78 78 CYS N N 15 112.6 0.1 . 1 . . . . . . . . . 5951 1 stop_ save_