data_4758 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4758 _Entry.Title ; A novel killer toxin-like protein, SKLP, is a member of the single-domain beta-gamma crystallin family proteins ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-06-12 _Entry.Accession_date 2000-06-12 _Entry.Last_release_date 2001-05-01 _Entry.Original_release_date 2001-05-01 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Shin-ya Ohki . . . 4758 2 Eri Kariya . . . 4758 3 Kazumi Hiraga . . . 4758 4 Akiko Wakamiya . . . 4758 5 Toshiaki Isobe . . . 4758 6 Kohei Oda . . . 4758 7 Masatsune Kainosho . . . 4758 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4758 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 254 4758 '15N chemical shifts' 86 4758 '1H chemical shifts' 436 4758 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 . . 2001-05-01 2000-06-12 original author . 4758 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4758 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 20566721 _Citation.DOI . _Citation.PubMed_ID 11114251 _Citation.Full_citation . _Citation.Title ; NMR Structure of Streptomyces Killer Toxin-like Protein, SKLP: Further Evidence for the Wide Distribution of Single-domain Betagamma-crystallin Superfamily Proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 305 _Citation.Journal_issue 1 _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 109 _Citation.Page_last 120 _Citation.Year 2001 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Shin-ya Ohki . . . 4758 1 2 Eri Kariya . . . 4758 1 3 Kazumi Hiraga . . . 4758 1 4 Akiko Wakamiya . . . 4758 1 5 Toshiaki Isobe . . . 4758 1 6 Kohei Oda . . . 4758 1 7 Masatsune Kainosho . . . 4758 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'killer toxin-like protein' 4758 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_SKLP_system _Assembly.Sf_category assembly _Assembly.Sf_framecode SKLP_system _Assembly.Entry_ID 4758 _Assembly.ID 1 _Assembly.Name SKLP _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 4758 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 'SKLP monomer' 1 $SKLP . . . native . . . . . 4758 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_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_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . . CYS 6 6 SG . 1 . 1 CYS 27 27 SG . . . . . . . . . . 4758 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SKLP abbreviation 4758 1 SKLP system 4758 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SKLP _Entity.Sf_category entity _Entity.Sf_framecode SKLP _Entity.Entry_ID 4758 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'yeast killer toxin-like protein' _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 ; IDHVPCRGGENFLKIWSHSG GQQSVDCYANRGRIDFGGWW VDKISTGNNDLIYYDANGDS VRVDRWHDITYPNRPPKVNS IEIL ; _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 . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 1F53 . "Nmr Structure Of Killer Toxin-Like Protein Sklp" . . . . . 100.00 84 100.00 100.00 4.47e-54 . . . . 4758 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SKLP abbreviation 4758 1 'yeast killer toxin-like protein' common 4758 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 . ILE . 4758 1 2 . ASP . 4758 1 3 . HIS . 4758 1 4 . VAL . 4758 1 5 . PRO . 4758 1 6 . CYS . 4758 1 7 . ARG . 4758 1 8 . GLY . 4758 1 9 . GLY . 4758 1 10 . GLU . 4758 1 11 . ASN . 4758 1 12 . PHE . 4758 1 13 . LEU . 4758 1 14 . LYS . 4758 1 15 . ILE . 4758 1 16 . TRP . 4758 1 17 . SER . 4758 1 18 . HIS . 4758 1 19 . SER . 4758 1 20 . GLY . 4758 1 21 . GLY . 4758 1 22 . GLN . 4758 1 23 . GLN . 4758 1 24 . SER . 4758 1 25 . VAL . 4758 1 26 . ASP . 4758 1 27 . CYS . 4758 1 28 . TYR . 4758 1 29 . ALA . 4758 1 30 . ASN . 4758 1 31 . ARG . 4758 1 32 . GLY . 4758 1 33 . ARG . 4758 1 34 . ILE . 4758 1 35 . ASP . 4758 1 36 . PHE . 4758 1 37 . GLY . 4758 1 38 . GLY . 4758 1 39 . TRP . 4758 1 40 . TRP . 4758 1 41 . VAL . 4758 1 42 . ASP . 4758 1 43 . LYS . 4758 1 44 . ILE . 4758 1 45 . SER . 4758 1 46 . THR . 4758 1 47 . GLY . 4758 1 48 . ASN . 4758 1 49 . ASN . 4758 1 50 . ASP . 4758 1 51 . LEU . 4758 1 52 . ILE . 4758 1 53 . TYR . 4758 1 54 . TYR . 4758 1 55 . ASP . 4758 1 56 . ALA . 4758 1 57 . ASN . 4758 1 58 . GLY . 4758 1 59 . ASP . 4758 1 60 . SER . 4758 1 61 . VAL . 4758 1 62 . ARG . 4758 1 63 . VAL . 4758 1 64 . ASP . 4758 1 65 . ARG . 4758 1 66 . TRP . 4758 1 67 . HIS . 4758 1 68 . ASP . 4758 1 69 . ILE . 4758 1 70 . THR . 4758 1 71 . TYR . 4758 1 72 . PRO . 4758 1 73 . ASN . 4758 1 74 . ARG . 4758 1 75 . PRO . 4758 1 76 . PRO . 4758 1 77 . LYS . 4758 1 78 . VAL . 4758 1 79 . ASN . 4758 1 80 . SER . 4758 1 81 . ILE . 4758 1 82 . GLU . 4758 1 83 . ILE . 4758 1 84 . LEU . 4758 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 . ILE 1 1 4758 1 . ASP 2 2 4758 1 . HIS 3 3 4758 1 . VAL 4 4 4758 1 . PRO 5 5 4758 1 . CYS 6 6 4758 1 . ARG 7 7 4758 1 . GLY 8 8 4758 1 . GLY 9 9 4758 1 . GLU 10 10 4758 1 . ASN 11 11 4758 1 . PHE 12 12 4758 1 . LEU 13 13 4758 1 . LYS 14 14 4758 1 . ILE 15 15 4758 1 . TRP 16 16 4758 1 . SER 17 17 4758 1 . HIS 18 18 4758 1 . SER 19 19 4758 1 . GLY 20 20 4758 1 . GLY 21 21 4758 1 . GLN 22 22 4758 1 . GLN 23 23 4758 1 . SER 24 24 4758 1 . VAL 25 25 4758 1 . ASP 26 26 4758 1 . CYS 27 27 4758 1 . TYR 28 28 4758 1 . ALA 29 29 4758 1 . ASN 30 30 4758 1 . ARG 31 31 4758 1 . GLY 32 32 4758 1 . ARG 33 33 4758 1 . ILE 34 34 4758 1 . ASP 35 35 4758 1 . PHE 36 36 4758 1 . GLY 37 37 4758 1 . GLY 38 38 4758 1 . TRP 39 39 4758 1 . TRP 40 40 4758 1 . VAL 41 41 4758 1 . ASP 42 42 4758 1 . LYS 43 43 4758 1 . ILE 44 44 4758 1 . SER 45 45 4758 1 . THR 46 46 4758 1 . GLY 47 47 4758 1 . ASN 48 48 4758 1 . ASN 49 49 4758 1 . ASP 50 50 4758 1 . LEU 51 51 4758 1 . ILE 52 52 4758 1 . TYR 53 53 4758 1 . TYR 54 54 4758 1 . ASP 55 55 4758 1 . ALA 56 56 4758 1 . ASN 57 57 4758 1 . GLY 58 58 4758 1 . ASP 59 59 4758 1 . SER 60 60 4758 1 . VAL 61 61 4758 1 . ARG 62 62 4758 1 . VAL 63 63 4758 1 . ASP 64 64 4758 1 . ARG 65 65 4758 1 . TRP 66 66 4758 1 . HIS 67 67 4758 1 . ASP 68 68 4758 1 . ILE 69 69 4758 1 . THR 70 70 4758 1 . TYR 71 71 4758 1 . PRO 72 72 4758 1 . ASN 73 73 4758 1 . ARG 74 74 4758 1 . PRO 75 75 4758 1 . PRO 76 76 4758 1 . LYS 77 77 4758 1 . VAL 78 78 4758 1 . ASN 79 79 4758 1 . SER 80 80 4758 1 . ILE 81 81 4758 1 . GLU 82 82 4758 1 . ILE 83 83 4758 1 . LEU 84 84 4758 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 4758 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SKLP . 1883 . . 'Streptomyces sp. F-287' 'Streptomyces sp. F-287' . . Eubacteria . Streptomyces 'sp. F-287' . . . . . . . . . . . . . . . . . . . . . 4758 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 4758 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SKLP . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4758 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4758 _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 'yeast killer toxin-like protein' . . . 1 $SKLP . . 1.0 . . mM . . . . 4758 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 4758 _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 6.0 0.08 n/a 4758 1 temperature 303 1 K 4758 1 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 4758 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4758 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_3 _NMR_spectrometer.Entry_ID 4758 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4758 _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 DMX . 500 . . . 4758 1 2 NMR_spectrometer_2 Bruker DRX . 600 . . . 4758 1 3 NMR_spectrometer_3 Bruker DRX . 800 . . . 4758 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 4758 _Experiment_list.ID 1 _Experiment_list.Details . 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 4758 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449519 . . . . . . . . . 4758 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct . . . . . . . . . . 4758 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329112 . . . . . . . . . 4758 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_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 4758 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_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 $sample_1 . 4758 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ILE C C 13 167.00 . . 1 . . . . . . . . 4758 1 2 . 1 1 1 1 ILE CA C 13 56.70 . . 1 . . . . . . . . 4758 1 3 . 1 1 1 1 ILE HA H 1 4.26 . . 1 . . . . . . . . 4758 1 4 . 1 1 1 1 ILE CB C 13 36.23 . . 1 . . . . . . . . 4758 1 5 . 1 1 1 1 ILE HB H 1 1.56 . . 1 . . . . . . . . 4758 1 6 . 1 1 1 1 ILE HG12 H 1 0.81 . . 1 . . . . . . . . 4758 1 7 . 1 1 1 1 ILE HG13 H 1 1.90 . . 1 . . . . . . . . 4758 1 8 . 1 1 1 1 ILE HG21 H 1 0.75 . . 1 . . . . . . . . 4758 1 9 . 1 1 1 1 ILE HG22 H 1 0.75 . . 1 . . . . . . . . 4758 1 10 . 1 1 1 1 ILE HG23 H 1 0.75 . . 1 . . . . . . . . 4758 1 11 . 1 1 1 1 ILE HD11 H 1 0.66 . . 1 . . . . . . . . 4758 1 12 . 1 1 1 1 ILE HD12 H 1 0.66 . . 1 . . . . . . . . 4758 1 13 . 1 1 1 1 ILE HD13 H 1 0.66 . . 1 . . . . . . . . 4758 1 14 . 1 1 2 2 ASP N N 15 126.55 . . 1 . . . . . . . . 4758 1 15 . 1 1 2 2 ASP C C 13 171.52 . . 1 . . . . . . . . 4758 1 16 . 1 1 2 2 ASP CA C 13 50.82 . . 1 . . . . . . . . 4758 1 17 . 1 1 2 2 ASP HA H 1 5.06 . . 1 . . . . . . . . 4758 1 18 . 1 1 2 2 ASP CB C 13 42.73 . . 1 . . . . . . . . 4758 1 19 . 1 1 2 2 ASP HB2 H 1 2.47 . . 1 . . . . . . . . 4758 1 20 . 1 1 2 2 ASP HB3 H 1 2.27 . . 1 . . . . . . . . 4758 1 21 . 1 1 3 3 HIS N N 15 123.91 . . 1 . . . . . . . . 4758 1 22 . 1 1 3 3 HIS C C 13 172.18 . . 1 . . . . . . . . 4758 1 23 . 1 1 3 3 HIS CA C 13 52.17 . . 1 . . . . . . . . 4758 1 24 . 1 1 3 3 HIS HA H 1 4.69 . . 1 . . . . . . . . 4758 1 25 . 1 1 3 3 HIS CB C 13 27.14 . . 1 . . . . . . . . 4758 1 26 . 1 1 3 3 HIS HB2 H 1 3.35 . . 1 . . . . . . . . 4758 1 27 . 1 1 3 3 HIS HB3 H 1 2.83 . . 1 . . . . . . . . 4758 1 28 . 1 1 4 4 VAL N N 15 121.81 . . 1 . . . . . . . . 4758 1 29 . 1 1 4 4 VAL CA C 13 55.55 . . 1 . . . . . . . . 4758 1 30 . 1 1 4 4 VAL HA H 1 4.63 . . 1 . . . . . . . . 4758 1 31 . 1 1 4 4 VAL CB C 13 30.70 . . 1 . . . . . . . . 4758 1 32 . 1 1 4 4 VAL HB H 1 1.77 . . 1 . . . . . . . . 4758 1 33 . 1 1 4 4 VAL HG11 H 1 0.57 . . 1 . . . . . . . . 4758 1 34 . 1 1 4 4 VAL HG12 H 1 0.57 . . 1 . . . . . . . . 4758 1 35 . 1 1 4 4 VAL HG13 H 1 0.57 . . 1 . . . . . . . . 4758 1 36 . 1 1 4 4 VAL HG21 H 1 -0.26 . . 1 . . . . . . . . 4758 1 37 . 1 1 4 4 VAL HG22 H 1 -0.26 . . 1 . . . . . . . . 4758 1 38 . 1 1 4 4 VAL HG23 H 1 -0.26 . . 1 . . . . . . . . 4758 1 39 . 1 1 4 4 VAL CG1 C 13 19.85 . . 1 . . . . . . . . 4758 1 40 . 1 1 4 4 VAL CG2 C 13 14.85 . . 1 . . . . . . . . 4758 1 41 . 1 1 5 5 PRO C C 13 175.60 . . 1 . . . . . . . . 4758 1 42 . 1 1 5 5 PRO CA C 13 60.23 . . 1 . . . . . . . . 4758 1 43 . 1 1 5 5 PRO HA H 1 4.17 . . 1 . . . . . . . . 4758 1 44 . 1 1 5 5 PRO CB C 13 29.53 . . 1 . . . . . . . . 4758 1 45 . 1 1 5 5 PRO HB2 H 1 2.21 . . 1 . . . . . . . . 4758 1 46 . 1 1 5 5 PRO HB3 H 1 1.65 . . 1 . . . . . . . . 4758 1 47 . 1 1 5 5 PRO HG2 H 1 1.99 . . 1 . . . . . . . . 4758 1 48 . 1 1 5 5 PRO HG3 H 1 1.80 . . 1 . . . . . . . . 4758 1 49 . 1 1 5 5 PRO HD2 H 1 1.80 . . 1 . . . . . . . . 4758 1 50 . 1 1 5 5 PRO HD3 H 1 3.44 . . 1 . . . . . . . . 4758 1 51 . 1 1 6 6 CYS N N 15 121.43 . . 1 . . . . . . . . 4758 1 52 . 1 1 6 6 CYS C C 13 173.17 . . 1 . . . . . . . . 4758 1 53 . 1 1 6 6 CYS CA C 13 52.10 . . 1 . . . . . . . . 4758 1 54 . 1 1 6 6 CYS HA H 1 4.42 . . 1 . . . . . . . . 4758 1 55 . 1 1 6 6 CYS CB C 13 38.04 . . 1 . . . . . . . . 4758 1 56 . 1 1 6 6 CYS HB2 H 1 2.95 . . 1 . . . . . . . . 4758 1 57 . 1 1 6 6 CYS HB3 H 1 2.71 . . 1 . . . . . . . . 4758 1 58 . 1 1 7 7 ARG N N 15 120.16 . . 1 . . . . . . . . 4758 1 59 . 1 1 7 7 ARG C C 13 173.92 . . 1 . . . . . . . . 4758 1 60 . 1 1 7 7 ARG CA C 13 53.61 . . 1 . . . . . . . . 4758 1 61 . 1 1 7 7 ARG HA H 1 4.45 . . 1 . . . . . . . . 4758 1 62 . 1 1 7 7 ARG CB C 13 29.74 . . 1 . . . . . . . . 4758 1 63 . 1 1 7 7 ARG HB2 H 1 1.82 . . 1 . . . . . . . . 4758 1 64 . 1 1 7 7 ARG HB3 H 1 1.71 . . 1 . . . . . . . . 4758 1 65 . 1 1 7 7 ARG HG2 H 1 1.53 . . 1 . . . . . . . . 4758 1 66 . 1 1 7 7 ARG HG3 H 1 1.47 . . 1 . . . . . . . . 4758 1 67 . 1 1 7 7 ARG HD2 H 1 3.14 . . 1 . . . . . . . . 4758 1 68 . 1 1 7 7 ARG HD3 H 1 3.05 . . 1 . . . . . . . . 4758 1 69 . 1 1 8 8 GLY N N 15 110.60 . . 1 . . . . . . . . 4758 1 70 . 1 1 8 8 GLY C C 13 172.38 . . 1 . . . . . . . . 4758 1 71 . 1 1 8 8 GLY CA C 13 43.82 . . 1 . . . . . . . . 4758 1 72 . 1 1 8 8 GLY HA2 H 1 3.98 . . 1 . . . . . . . . 4758 1 73 . 1 1 9 9 GLY N N 15 109.62 . . 1 . . . . . . . . 4758 1 74 . 1 1 9 9 GLY C C 13 171.72 . . 1 . . . . . . . . 4758 1 75 . 1 1 9 9 GLY CA C 13 43.36 . . 1 . . . . . . . . 4758 1 76 . 1 1 9 9 GLY HA2 H 1 3.89 . . 1 . . . . . . . . 4758 1 77 . 1 1 10 10 GLU N N 15 118.02 . . 1 . . . . . . . . 4758 1 78 . 1 1 10 10 GLU C C 13 174.15 . . 1 . . . . . . . . 4758 1 79 . 1 1 10 10 GLU CA C 13 53.48 . . 1 . . . . . . . . 4758 1 80 . 1 1 10 10 GLU HA H 1 4.36 . . 1 . . . . . . . . 4758 1 81 . 1 1 10 10 GLU CB C 13 28.22 . . 1 . . . . . . . . 4758 1 82 . 1 1 10 10 GLU HB2 H 1 1.50 . . 1 . . . . . . . . 4758 1 83 . 1 1 10 10 GLU HB3 H 1 1.45 . . 1 . . . . . . . . 4758 1 84 . 1 1 10 10 GLU HG2 H 1 2.09 . . 1 . . . . . . . . 4758 1 85 . 1 1 11 11 ASN N N 15 117.70 . . 1 . . . . . . . . 4758 1 86 . 1 1 11 11 ASN C C 13 172.67 . . 1 . . . . . . . . 4758 1 87 . 1 1 11 11 ASN CA C 13 51.05 . . 1 . . . . . . . . 4758 1 88 . 1 1 11 11 ASN HA H 1 4.80 . . 1 . . . . . . . . 4758 1 89 . 1 1 11 11 ASN CB C 13 36.66 . . 1 . . . . . . . . 4758 1 90 . 1 1 11 11 ASN HB2 H 1 2.80 . . 1 . . . . . . . . 4758 1 91 . 1 1 11 11 ASN HD21 H 1 7.94 . . 1 . . . . . . . . 4758 1 92 . 1 1 11 11 ASN HD22 H 1 7.21 . . 1 . . . . . . . . 4758 1 93 . 1 1 11 11 ASN ND2 N 15 113.67 . . 1 . . . . . . . . 4758 1 94 . 1 1 12 12 PHE N N 15 117.41 . . 1 . . . . . . . . 4758 1 95 . 1 1 12 12 PHE C C 13 173.32 . . 1 . . . . . . . . 4758 1 96 . 1 1 12 12 PHE CA C 13 53.48 . . 1 . . . . . . . . 4758 1 97 . 1 1 12 12 PHE HA H 1 4.95 . . 1 . . . . . . . . 4758 1 98 . 1 1 12 12 PHE CB C 13 36.65 . . 1 . . . . . . . . 4758 1 99 . 1 1 12 12 PHE HB2 H 1 3.38 . . 1 . . . . . . . . 4758 1 100 . 1 1 12 12 PHE HB3 H 1 2.73 . . 1 . . . . . . . . 4758 1 101 . 1 1 12 12 PHE HD1 H 1 7.24 . . 1 . . . . . . . . 4758 1 102 . 1 1 12 12 PHE HE1 H 1 7.39 . . 1 . . . . . . . . 4758 1 103 . 1 1 13 13 LEU N N 15 122.09 . . 1 . . . . . . . . 4758 1 104 . 1 1 13 13 LEU C C 13 172.21 . . 1 . . . . . . . . 4758 1 105 . 1 1 13 13 LEU CA C 13 53.33 . . 1 . . . . . . . . 4758 1 106 . 1 1 13 13 LEU HA H 1 4.69 . . 1 . . . . . . . . 4758 1 107 . 1 1 13 13 LEU CB C 13 40.49 . . 1 . . . . . . . . 4758 1 108 . 1 1 13 13 LEU HB2 H 1 1.96 . . 1 . . . . . . . . 4758 1 109 . 1 1 13 13 LEU HB3 H 1 1.39 . . 1 . . . . . . . . 4758 1 110 . 1 1 13 13 LEU HG H 1 1.61 . . 1 . . . . . . . . 4758 1 111 . 1 1 13 13 LEU HD11 H 1 0.98 . . 1 . . . . . . . . 4758 1 112 . 1 1 13 13 LEU HD12 H 1 0.98 . . 1 . . . . . . . . 4758 1 113 . 1 1 13 13 LEU HD13 H 1 0.98 . . 1 . . . . . . . . 4758 1 114 . 1 1 13 13 LEU HD21 H 1 0.78 . . 1 . . . . . . . . 4758 1 115 . 1 1 13 13 LEU HD22 H 1 0.78 . . 1 . . . . . . . . 4758 1 116 . 1 1 13 13 LEU HD23 H 1 0.78 . . 1 . . . . . . . . 4758 1 117 . 1 1 13 13 LEU CD1 C 13 24.68 . . 1 . . . . . . . . 4758 1 118 . 1 1 13 13 LEU CD2 C 13 25.96 . . 1 . . . . . . . . 4758 1 119 . 1 1 14 14 LYS N N 15 131.13 . . 1 . . . . . . . . 4758 1 120 . 1 1 14 14 LYS C C 13 172.05 . . 1 . . . . . . . . 4758 1 121 . 1 1 14 14 LYS CA C 13 53.35 . . 1 . . . . . . . . 4758 1 122 . 1 1 14 14 LYS HA H 1 5.35 . . 1 . . . . . . . . 4758 1 123 . 1 1 14 14 LYS CB C 13 35.06 . . 1 . . . . . . . . 4758 1 124 . 1 1 14 14 LYS HB2 H 1 1.84 . . 1 . . . . . . . . 4758 1 125 . 1 1 14 14 LYS HB3 H 1 1.54 . . 1 . . . . . . . . 4758 1 126 . 1 1 14 14 LYS HG2 H 1 0.95 . . 1 . . . . . . . . 4758 1 127 . 1 1 14 14 LYS HG3 H 1 0.12 . . 1 . . . . . . . . 4758 1 128 . 1 1 14 14 LYS HD2 H 1 1.43 . . 1 . . . . . . . . 4758 1 129 . 1 1 14 14 LYS HD3 H 1 0.96 . . 1 . . . . . . . . 4758 1 130 . 1 1 14 14 LYS HE2 H 1 2.67 . . 1 . . . . . . . . 4758 1 131 . 1 1 14 14 LYS HE3 H 1 2.30 . . 1 . . . . . . . . 4758 1 132 . 1 1 15 15 ILE N N 15 123.57 . . 1 . . . . . . . . 4758 1 133 . 1 1 15 15 ILE C C 13 173.39 . . 1 . . . . . . . . 4758 1 134 . 1 1 15 15 ILE CA C 13 58.57 . . 1 . . . . . . . . 4758 1 135 . 1 1 15 15 ILE HA H 1 5.15 . . 1 . . . . . . . . 4758 1 136 . 1 1 15 15 ILE CB C 13 40.47 . . 1 . . . . . . . . 4758 1 137 . 1 1 15 15 ILE HB H 1 1.90 . . 1 . . . . . . . . 4758 1 138 . 1 1 15 15 ILE HG12 H 1 1.02 . . 1 . . . . . . . . 4758 1 139 . 1 1 15 15 ILE HG13 H 1 1.67 . . 1 . . . . . . . . 4758 1 140 . 1 1 15 15 ILE HG21 H 1 1.08 . . 1 . . . . . . . . 4758 1 141 . 1 1 15 15 ILE HG22 H 1 1.08 . . 1 . . . . . . . . 4758 1 142 . 1 1 15 15 ILE HG23 H 1 1.08 . . 1 . . . . . . . . 4758 1 143 . 1 1 15 15 ILE HD11 H 1 0.54 . . 1 . . . . . . . . 4758 1 144 . 1 1 15 15 ILE HD12 H 1 0.54 . . 1 . . . . . . . . 4758 1 145 . 1 1 15 15 ILE HD13 H 1 0.54 . . 1 . . . . . . . . 4758 1 146 . 1 1 16 16 TRP N N 15 134.50 . . 1 . . . . . . . . 4758 1 147 . 1 1 16 16 TRP C C 13 173.23 . . 1 . . . . . . . . 4758 1 148 . 1 1 16 16 TRP CA C 13 56.11 . . 1 . . . . . . . . 4758 1 149 . 1 1 16 16 TRP HA H 1 5.60 . . 1 . . . . . . . . 4758 1 150 . 1 1 16 16 TRP CB C 13 30.23 . . 1 . . . . . . . . 4758 1 151 . 1 1 16 16 TRP HB2 H 1 3.75 . . 1 . . . . . . . . 4758 1 152 . 1 1 16 16 TRP HB3 H 1 3.57 . . 1 . . . . . . . . 4758 1 153 . 1 1 16 16 TRP HE3 H 1 7.74 . . 1 . . . . . . . . 4758 1 154 . 1 1 16 16 TRP HZ2 H 1 7.27 . . 1 . . . . . . . . 4758 1 155 . 1 1 16 16 TRP HZ3 H 1 6.99 . . 1 . . . . . . . . 4758 1 156 . 1 1 16 16 TRP HH2 H 1 7.51 . . 1 . . . . . . . . 4758 1 157 . 1 1 17 17 SER N N 15 118.77 . . 1 . . . . . . . . 4758 1 158 . 1 1 17 17 SER C C 13 171.94 . . 1 . . . . . . . . 4758 1 159 . 1 1 17 17 SER CA C 13 56.12 . . 1 . . . . . . . . 4758 1 160 . 1 1 17 17 SER HA H 1 6.22 . . 1 . . . . . . . . 4758 1 161 . 1 1 17 17 SER CB C 13 66.30 . . 1 . . . . . . . . 4758 1 162 . 1 1 17 17 SER HB2 H 1 4.39 . . 1 . . . . . . . . 4758 1 163 . 1 1 17 17 SER HB3 H 1 4.15 . . 1 . . . . . . . . 4758 1 164 . 1 1 18 18 HIS N N 15 112.75 . . 1 . . . . . . . . 4758 1 165 . 1 1 18 18 HIS C C 13 170.76 . . 1 . . . . . . . . 4758 1 166 . 1 1 18 18 HIS CA C 13 54.36 . . 1 . . . . . . . . 4758 1 167 . 1 1 18 18 HIS HA H 1 5.84 . . 1 . . . . . . . . 4758 1 168 . 1 1 18 18 HIS CB C 13 30.52 . . 1 . . . . . . . . 4758 1 169 . 1 1 18 18 HIS HB2 H 1 3.48 . . 1 . . . . . . . . 4758 1 170 . 1 1 18 18 HIS HB3 H 1 3.32 . . 1 . . . . . . . . 4758 1 171 . 1 1 19 19 SER N N 15 112.64 . . 1 . . . . . . . . 4758 1 172 . 1 1 19 19 SER C C 13 173.75 . . 1 . . . . . . . . 4758 1 173 . 1 1 19 19 SER CA C 13 55.89 . . 1 . . . . . . . . 4758 1 174 . 1 1 19 19 SER HA H 1 4.25 . . 1 . . . . . . . . 4758 1 175 . 1 1 19 19 SER CB C 13 58.89 . . 1 . . . . . . . . 4758 1 176 . 1 1 19 19 SER HB2 H 1 2.27 . . 1 . . . . . . . . 4758 1 177 . 1 1 19 19 SER HB3 H 1 1.80 . . 1 . . . . . . . . 4758 1 178 . 1 1 20 20 GLY N N 15 118.80 . . 1 . . . . . . . . 4758 1 179 . 1 1 20 20 GLY C C 13 172.98 . . 1 . . . . . . . . 4758 1 180 . 1 1 20 20 GLY CA C 13 45.15 . . 1 . . . . . . . . 4758 1 181 . 1 1 20 20 GLY HA2 H 1 3.92 . . 1 . . . . . . . . 4758 1 182 . 1 1 20 20 GLY HA3 H 1 3.75 . . 1 . . . . . . . . 4758 1 183 . 1 1 21 21 GLY N N 15 112.00 . . 1 . . . . . . . . 4758 1 184 . 1 1 21 21 GLY C C 13 171.83 . . 1 . . . . . . . . 4758 1 185 . 1 1 21 21 GLY CA C 13 43.22 . . 1 . . . . . . . . 4758 1 186 . 1 1 21 21 GLY HA2 H 1 4.02 . . 1 . . . . . . . . 4758 1 187 . 1 1 21 21 GLY HA3 H 1 3.90 . . 1 . . . . . . . . 4758 1 188 . 1 1 22 22 GLN N N 15 119.69 . . 1 . . . . . . . . 4758 1 189 . 1 1 22 22 GLN C C 13 172.65 . . 1 . . . . . . . . 4758 1 190 . 1 1 22 22 GLN CA C 13 52.80 . . 1 . . . . . . . . 4758 1 191 . 1 1 22 22 GLN HA H 1 4.69 . . 1 . . . . . . . . 4758 1 192 . 1 1 22 22 GLN CB C 13 29.34 . . 1 . . . . . . . . 4758 1 193 . 1 1 22 22 GLN HB2 H 1 2.34 . . 1 . . . . . . . . 4758 1 194 . 1 1 22 22 GLN HB3 H 1 2.14 . . 1 . . . . . . . . 4758 1 195 . 1 1 22 22 GLN HG2 H 1 2.49 . . 1 . . . . . . . . 4758 1 196 . 1 1 23 23 GLN N N 15 119.84 . . 1 . . . . . . . . 4758 1 197 . 1 1 23 23 GLN C C 13 173.56 . . 1 . . . . . . . . 4758 1 198 . 1 1 23 23 GLN CA C 13 52.81 . . 1 . . . . . . . . 4758 1 199 . 1 1 23 23 GLN HA H 1 5.52 . . 1 . . . . . . . . 4758 1 200 . 1 1 23 23 GLN CB C 13 30.09 . . 1 . . . . . . . . 4758 1 201 . 1 1 23 23 GLN HB2 H 1 2.53 . . 1 . . . . . . . . 4758 1 202 . 1 1 23 23 GLN HB3 H 1 2.21 . . 1 . . . . . . . . 4758 1 203 . 1 1 23 23 GLN HG2 H 1 2.48 . . 1 . . . . . . . . 4758 1 204 . 1 1 24 24 SER N N 15 116.22 . . 1 . . . . . . . . 4758 1 205 . 1 1 24 24 SER C C 13 170.94 . . 1 . . . . . . . . 4758 1 206 . 1 1 24 24 SER CA C 13 55.67 . . 1 . . . . . . . . 4758 1 207 . 1 1 24 24 SER HA H 1 4.77 . . 1 . . . . . . . . 4758 1 208 . 1 1 24 24 SER CB C 13 62.98 . . 1 . . . . . . . . 4758 1 209 . 1 1 24 24 SER HB2 H 1 3.58 . . 1 . . . . . . . . 4758 1 210 . 1 1 24 24 SER HB3 H 1 3.47 . . 1 . . . . . . . . 4758 1 211 . 1 1 25 25 VAL N N 15 127.53 . . 1 . . . . . . . . 4758 1 212 . 1 1 25 25 VAL C C 13 172.90 . . 1 . . . . . . . . 4758 1 213 . 1 1 25 25 VAL CA C 13 59.76 . . 1 . . . . . . . . 4758 1 214 . 1 1 25 25 VAL HA H 1 4.79 . . 1 . . . . . . . . 4758 1 215 . 1 1 25 25 VAL CB C 13 31.11 . . 1 . . . . . . . . 4758 1 216 . 1 1 25 25 VAL HB H 1 1.72 . . 1 . . . . . . . . 4758 1 217 . 1 1 25 25 VAL HG11 H 1 0.23 . . 1 . . . . . . . . 4758 1 218 . 1 1 25 25 VAL HG12 H 1 0.23 . . 1 . . . . . . . . 4758 1 219 . 1 1 25 25 VAL HG13 H 1 0.23 . . 1 . . . . . . . . 4758 1 220 . 1 1 25 25 VAL HG21 H 1 0.71 . . 1 . . . . . . . . 4758 1 221 . 1 1 25 25 VAL HG22 H 1 0.71 . . 1 . . . . . . . . 4758 1 222 . 1 1 25 25 VAL HG23 H 1 0.71 . . 1 . . . . . . . . 4758 1 223 . 1 1 25 25 VAL CG1 C 13 18.61 . . 1 . . . . . . . . 4758 1 224 . 1 1 25 25 VAL CG2 C 13 18.99 . . 1 . . . . . . . . 4758 1 225 . 1 1 26 26 ASP N N 15 125.18 . . 1 . . . . . . . . 4758 1 226 . 1 1 26 26 ASP C C 13 171.00 . . 1 . . . . . . . . 4758 1 227 . 1 1 26 26 ASP CA C 13 51.48 . . 1 . . . . . . . . 4758 1 228 . 1 1 26 26 ASP HA H 1 5.21 . . 1 . . . . . . . . 4758 1 229 . 1 1 26 26 ASP CB C 13 45.05 . . 1 . . . . . . . . 4758 1 230 . 1 1 26 26 ASP HB2 H 1 2.53 . . 1 . . . . . . . . 4758 1 231 . 1 1 26 26 ASP HB3 H 1 2.33 . . 1 . . . . . . . . 4758 1 232 . 1 1 27 27 CYS N N 15 117.33 . . 1 . . . . . . . . 4758 1 233 . 1 1 27 27 CYS C C 13 170.31 . . 1 . . . . . . . . 4758 1 234 . 1 1 27 27 CYS CA C 13 54.82 . . 1 . . . . . . . . 4758 1 235 . 1 1 27 27 CYS HA H 1 6.02 . . 1 . . . . . . . . 4758 1 236 . 1 1 27 27 CYS CB C 13 44.79 . . 1 . . . . . . . . 4758 1 237 . 1 1 27 27 CYS HB2 H 1 2.80 . . 1 . . . . . . . . 4758 1 238 . 1 1 27 27 CYS HB3 H 1 2.72 . . 1 . . . . . . . . 4758 1 239 . 1 1 28 28 TYR N N 15 116.77 . . 1 . . . . . . . . 4758 1 240 . 1 1 28 28 TYR C C 13 171.28 . . 1 . . . . . . . . 4758 1 241 . 1 1 28 28 TYR CA C 13 54.07 . . 1 . . . . . . . . 4758 1 242 . 1 1 28 28 TYR HA H 1 5.48 . . 1 . . . . . . . . 4758 1 243 . 1 1 28 28 TYR CB C 13 41.83 . . 1 . . . . . . . . 4758 1 244 . 1 1 28 28 TYR HB2 H 1 2.79 . . 1 . . . . . . . . 4758 1 245 . 1 1 28 28 TYR HB3 H 1 2.40 . . 1 . . . . . . . . 4758 1 246 . 1 1 28 28 TYR HD1 H 1 6.63 . . 1 . . . . . . . . 4758 1 247 . 1 1 28 28 TYR HE1 H 1 6.40 . . 1 . . . . . . . . 4758 1 248 . 1 1 29 29 ALA N N 15 119.99 . . 1 . . . . . . . . 4758 1 249 . 1 1 29 29 ALA C C 13 174.19 . . 1 . . . . . . . . 4758 1 250 . 1 1 29 29 ALA CA C 13 49.04 . . 1 . . . . . . . . 4758 1 251 . 1 1 29 29 ALA HA H 1 4.64 . . 1 . . . . . . . . 4758 1 252 . 1 1 29 29 ALA CB C 13 21.85 . . 1 . . . . . . . . 4758 1 253 . 1 1 29 29 ALA HB1 H 1 1.25 . . 1 . . . . . . . . 4758 1 254 . 1 1 29 29 ALA HB2 H 1 1.25 . . 1 . . . . . . . . 4758 1 255 . 1 1 29 29 ALA HB3 H 1 1.25 . . 1 . . . . . . . . 4758 1 256 . 1 1 30 30 ASN N N 15 111.06 . . 1 . . . . . . . . 4758 1 257 . 1 1 30 30 ASN C C 13 170.24 . . 1 . . . . . . . . 4758 1 258 . 1 1 30 30 ASN CA C 13 53.19 . . 1 . . . . . . . . 4758 1 259 . 1 1 30 30 ASN HA H 1 4.37 . . 1 . . . . . . . . 4758 1 260 . 1 1 30 30 ASN CB C 13 36.00 . . 1 . . . . . . . . 4758 1 261 . 1 1 30 30 ASN HB2 H 1 3.66 . . 1 . . . . . . . . 4758 1 262 . 1 1 30 30 ASN HB3 H 1 2.80 . . 1 . . . . . . . . 4758 1 263 . 1 1 30 30 ASN HD21 H 1 8.00 . . 1 . . . . . . . . 4758 1 264 . 1 1 30 30 ASN HD22 H 1 7.15 . . 1 . . . . . . . . 4758 1 265 . 1 1 30 30 ASN ND2 N 15 116.00 . . 1 . . . . . . . . 4758 1 266 . 1 1 31 31 ARG N N 15 114.59 . . 1 . . . . . . . . 4758 1 267 . 1 1 31 31 ARG C C 13 176.20 . . 1 . . . . . . . . 4758 1 268 . 1 1 31 31 ARG CA C 13 54.87 . . 1 . . . . . . . . 4758 1 269 . 1 1 31 31 ARG HA H 1 4.00 . . 1 . . . . . . . . 4758 1 270 . 1 1 31 31 ARG CB C 13 29.39 . . 1 . . . . . . . . 4758 1 271 . 1 1 31 31 ARG HB2 H 1 1.82 . . 1 . . . . . . . . 4758 1 272 . 1 1 31 31 ARG HB3 H 1 1.70 . . 1 . . . . . . . . 4758 1 273 . 1 1 31 31 ARG HG2 H 1 1.58 . . 1 . . . . . . . . 4758 1 274 . 1 1 31 31 ARG HG3 H 1 1.74 . . 1 . . . . . . . . 4758 1 275 . 1 1 31 31 ARG HD2 H 1 3.25 . . 1 . . . . . . . . 4758 1 276 . 1 1 32 32 GLY N N 15 113.73 . . 1 . . . . . . . . 4758 1 277 . 1 1 32 32 GLY C C 13 168.01 . . 1 . . . . . . . . 4758 1 278 . 1 1 32 32 GLY CA C 13 42.11 . . 1 . . . . . . . . 4758 1 279 . 1 1 32 32 GLY HA2 H 1 4.60 . . 1 . . . . . . . . 4758 1 280 . 1 1 32 32 GLY HA3 H 1 3.90 . . 1 . . . . . . . . 4758 1 281 . 1 1 33 33 ARG N N 15 119.86 . . 1 . . . . . . . . 4758 1 282 . 1 1 33 33 ARG C C 13 172.58 . . 1 . . . . . . . . 4758 1 283 . 1 1 33 33 ARG CA C 13 52.16 . . 1 . . . . . . . . 4758 1 284 . 1 1 33 33 ARG HA H 1 5.59 . . 1 . . . . . . . . 4758 1 285 . 1 1 33 33 ARG CB C 13 31.76 . . 1 . . . . . . . . 4758 1 286 . 1 1 33 33 ARG HB2 H 1 1.74 . . 1 . . . . . . . . 4758 1 287 . 1 1 33 33 ARG HB3 H 1 1.38 . . 1 . . . . . . . . 4758 1 288 . 1 1 33 33 ARG HG2 H 1 1.50 . . 1 . . . . . . . . 4758 1 289 . 1 1 33 33 ARG HG3 H 1 1.47 . . 1 . . . . . . . . 4758 1 290 . 1 1 33 33 ARG HD2 H 1 2.90 . . 1 . . . . . . . . 4758 1 291 . 1 1 33 33 ARG HD3 H 1 2.85 . . 1 . . . . . . . . 4758 1 292 . 1 1 34 34 ILE N N 15 125.38 . . 1 . . . . . . . . 4758 1 293 . 1 1 34 34 ILE C C 13 170.55 . . 1 . . . . . . . . 4758 1 294 . 1 1 34 34 ILE CA C 13 57.57 . . 1 . . . . . . . . 4758 1 295 . 1 1 34 34 ILE HA H 1 4.62 . . 1 . . . . . . . . 4758 1 296 . 1 1 34 34 ILE CB C 13 40.51 . . 1 . . . . . . . . 4758 1 297 . 1 1 34 34 ILE HB H 1 1.67 . . 1 . . . . . . . . 4758 1 298 . 1 1 34 34 ILE HG12 H 1 1.46 . . 1 . . . . . . . . 4758 1 299 . 1 1 34 34 ILE HG13 H 1 1.40 . . 1 . . . . . . . . 4758 1 300 . 1 1 34 34 ILE HG21 H 1 0.66 . . 1 . . . . . . . . 4758 1 301 . 1 1 34 34 ILE HG22 H 1 0.66 . . 1 . . . . . . . . 4758 1 302 . 1 1 34 34 ILE HG23 H 1 0.66 . . 1 . . . . . . . . 4758 1 303 . 1 1 34 34 ILE HD11 H 1 0.97 . . 1 . . . . . . . . 4758 1 304 . 1 1 34 34 ILE HD12 H 1 0.97 . . 1 . . . . . . . . 4758 1 305 . 1 1 34 34 ILE HD13 H 1 0.97 . . 1 . . . . . . . . 4758 1 306 . 1 1 35 35 ASP N N 15 124.48 . . 1 . . . . . . . . 4758 1 307 . 1 1 35 35 ASP C C 13 172.90 . . 1 . . . . . . . . 4758 1 308 . 1 1 35 35 ASP CA C 13 53.23 . . 1 . . . . . . . . 4758 1 309 . 1 1 35 35 ASP HA H 1 4.64 . . 1 . . . . . . . . 4758 1 310 . 1 1 35 35 ASP CB C 13 39.17 . . 1 . . . . . . . . 4758 1 311 . 1 1 35 35 ASP HB2 H 1 2.71 . . 1 . . . . . . . . 4758 1 312 . 1 1 35 35 ASP HB3 H 1 2.60 . . 1 . . . . . . . . 4758 1 313 . 1 1 36 36 PHE N N 15 125.16 . . 1 . . . . . . . . 4758 1 314 . 1 1 36 36 PHE C C 13 174.49 . . 1 . . . . . . . . 4758 1 315 . 1 1 36 36 PHE CA C 13 55.24 . . 1 . . . . . . . . 4758 1 316 . 1 1 36 36 PHE HA H 1 4.47 . . 1 . . . . . . . . 4758 1 317 . 1 1 36 36 PHE CB C 13 40.96 . . 1 . . . . . . . . 4758 1 318 . 1 1 36 36 PHE HB2 H 1 2.75 . . 1 . . . . . . . . 4758 1 319 . 1 1 36 36 PHE HB3 H 1 2.55 . . 1 . . . . . . . . 4758 1 320 . 1 1 36 36 PHE HD1 H 1 7.14 . . 1 . . . . . . . . 4758 1 321 . 1 1 36 36 PHE HE1 H 1 7.34 . . 1 . . . . . . . . 4758 1 322 . 1 1 36 36 PHE HZ H 1 7.60 . . 1 . . . . . . . . 4758 1 323 . 1 1 37 37 GLY N N 15 104.61 . . 1 . . . . . . . . 4758 1 324 . 1 1 37 37 GLY C C 13 173.46 . . 1 . . . . . . . . 4758 1 325 . 1 1 37 37 GLY CA C 13 43.90 . . 1 . . . . . . . . 4758 1 326 . 1 1 37 37 GLY HA2 H 1 3.86 . . 1 . . . . . . . . 4758 1 327 . 1 1 37 37 GLY HA3 H 1 3.77 . . 1 . . . . . . . . 4758 1 328 . 1 1 38 38 GLY N N 15 107.20 . . 1 . . . . . . . . 4758 1 329 . 1 1 38 38 GLY C C 13 172.55 . . 1 . . . . . . . . 4758 1 330 . 1 1 38 38 GLY CA C 13 44.63 . . 1 . . . . . . . . 4758 1 331 . 1 1 38 38 GLY HA2 H 1 3.87 . . 1 . . . . . . . . 4758 1 332 . 1 1 38 38 GLY HA3 H 1 3.48 . . 1 . . . . . . . . 4758 1 333 . 1 1 39 39 TRP N N 15 119.73 . . 1 . . . . . . . . 4758 1 334 . 1 1 39 39 TRP C C 13 171.99 . . 1 . . . . . . . . 4758 1 335 . 1 1 39 39 TRP CA C 13 56.23 . . 1 . . . . . . . . 4758 1 336 . 1 1 39 39 TRP HA H 1 4.38 . . 1 . . . . . . . . 4758 1 337 . 1 1 39 39 TRP CB C 13 27.34 . . 1 . . . . . . . . 4758 1 338 . 1 1 39 39 TRP HB2 H 1 3.24 . . 1 . . . . . . . . 4758 1 339 . 1 1 39 39 TRP HB3 H 1 2.84 . . 1 . . . . . . . . 4758 1 340 . 1 1 39 39 TRP HE3 H 1 7.89 . . 1 . . . . . . . . 4758 1 341 . 1 1 39 39 TRP HZ2 H 1 7.36 . . 1 . . . . . . . . 4758 1 342 . 1 1 39 39 TRP HZ3 H 1 7.20 . . 1 . . . . . . . . 4758 1 343 . 1 1 39 39 TRP HH2 H 1 7.55 . . 1 . . . . . . . . 4758 1 344 . 1 1 40 40 TRP N N 15 120.45 . . 1 . . . . . . . . 4758 1 345 . 1 1 40 40 TRP C C 13 174.22 . . 1 . . . . . . . . 4758 1 346 . 1 1 40 40 TRP CA C 13 55.99 . . 1 . . . . . . . . 4758 1 347 . 1 1 40 40 TRP HA H 1 5.08 . . 1 . . . . . . . . 4758 1 348 . 1 1 40 40 TRP CB C 13 27.42 . . 1 . . . . . . . . 4758 1 349 . 1 1 40 40 TRP HB2 H 1 2.45 . . 1 . . . . . . . . 4758 1 350 . 1 1 40 40 TRP HB3 H 1 2.03 . . 1 . . . . . . . . 4758 1 351 . 1 1 40 40 TRP HE3 H 1 7.41 . . 1 . . . . . . . . 4758 1 352 . 1 1 40 40 TRP HZ2 H 1 6.69 . . 1 . . . . . . . . 4758 1 353 . 1 1 40 40 TRP HH2 H 1 7.02 . . 1 . . . . . . . . 4758 1 354 . 1 1 41 41 VAL N N 15 122.75 . . 1 . . . . . . . . 4758 1 355 . 1 1 41 41 VAL C C 13 170.29 . . 1 . . . . . . . . 4758 1 356 . 1 1 41 41 VAL CA C 13 61.26 . . 1 . . . . . . . . 4758 1 357 . 1 1 41 41 VAL HA H 1 4.23 . . 1 . . . . . . . . 4758 1 358 . 1 1 41 41 VAL CB C 13 31.13 . . 1 . . . . . . . . 4758 1 359 . 1 1 41 41 VAL HB H 1 1.60 . . 1 . . . . . . . . 4758 1 360 . 1 1 41 41 VAL HG11 H 1 0.90 . . 1 . . . . . . . . 4758 1 361 . 1 1 41 41 VAL HG12 H 1 0.90 . . 1 . . . . . . . . 4758 1 362 . 1 1 41 41 VAL HG13 H 1 0.90 . . 1 . . . . . . . . 4758 1 363 . 1 1 41 41 VAL HG21 H 1 0.67 . . 1 . . . . . . . . 4758 1 364 . 1 1 41 41 VAL HG22 H 1 0.67 . . 1 . . . . . . . . 4758 1 365 . 1 1 41 41 VAL HG23 H 1 0.67 . . 1 . . . . . . . . 4758 1 366 . 1 1 41 41 VAL CG1 C 13 19.97 . . 1 . . . . . . . . 4758 1 367 . 1 1 41 41 VAL CG2 C 13 22.45 . . 1 . . . . . . . . 4758 1 368 . 1 1 42 42 ASP N N 15 123.38 . . 1 . . . . . . . . 4758 1 369 . 1 1 42 42 ASP C C 13 175.40 . . 1 . . . . . . . . 4758 1 370 . 1 1 42 42 ASP CA C 13 54.36 . . 1 . . . . . . . . 4758 1 371 . 1 1 42 42 ASP HA H 1 4.95 . . 1 . . . . . . . . 4758 1 372 . 1 1 42 42 ASP CB C 13 42.01 . . 1 . . . . . . . . 4758 1 373 . 1 1 42 42 ASP HB2 H 1 2.83 . . 1 . . . . . . . . 4758 1 374 . 1 1 42 42 ASP HB3 H 1 2.43 . . 1 . . . . . . . . 4758 1 375 . 1 1 43 43 LYS N N 15 119.85 . . 1 . . . . . . . . 4758 1 376 . 1 1 43 43 LYS C C 13 171.52 . . 1 . . . . . . . . 4758 1 377 . 1 1 43 43 LYS CA C 13 53.94 . . 1 . . . . . . . . 4758 1 378 . 1 1 43 43 LYS HA H 1 5.33 . . 1 . . . . . . . . 4758 1 379 . 1 1 43 43 LYS CB C 13 32.55 . . 1 . . . . . . . . 4758 1 380 . 1 1 43 43 LYS HB2 H 1 1.73 . . 1 . . . . . . . . 4758 1 381 . 1 1 43 43 LYS HB3 H 1 1.54 . . 1 . . . . . . . . 4758 1 382 . 1 1 43 43 LYS HG2 H 1 0.74 . . 1 . . . . . . . . 4758 1 383 . 1 1 43 43 LYS HG3 H 1 -0.24 . . 1 . . . . . . . . 4758 1 384 . 1 1 43 43 LYS HD2 H 1 1.19 . . 1 . . . . . . . . 4758 1 385 . 1 1 43 43 LYS HD3 H 1 0.94 . . 1 . . . . . . . . 4758 1 386 . 1 1 43 43 LYS HE2 H 1 2.10 . . 1 . . . . . . . . 4758 1 387 . 1 1 43 43 LYS HE3 H 1 2.00 . . 1 . . . . . . . . 4758 1 388 . 1 1 44 44 ILE N N 15 125.07 . . 1 . . . . . . . . 4758 1 389 . 1 1 44 44 ILE C C 13 172.23 . . 1 . . . . . . . . 4758 1 390 . 1 1 44 44 ILE CA C 13 58.94 . . 1 . . . . . . . . 4758 1 391 . 1 1 44 44 ILE HA H 1 5.05 . . 1 . . . . . . . . 4758 1 392 . 1 1 44 44 ILE CB C 13 41.35 . . 1 . . . . . . . . 4758 1 393 . 1 1 44 44 ILE HB H 1 1.70 . . 1 . . . . . . . . 4758 1 394 . 1 1 44 44 ILE HG12 H 1 0.90 . . 1 . . . . . . . . 4758 1 395 . 1 1 44 44 ILE HD11 H 1 0.83 . . 1 . . . . . . . . 4758 1 396 . 1 1 44 44 ILE HD12 H 1 0.83 . . 1 . . . . . . . . 4758 1 397 . 1 1 44 44 ILE HD13 H 1 0.83 . . 1 . . . . . . . . 4758 1 398 . 1 1 45 45 SER N N 15 122.66 . . 1 . . . . . . . . 4758 1 399 . 1 1 45 45 SER C C 13 173.84 . . 1 . . . . . . . . 4758 1 400 . 1 1 45 45 SER CA C 13 54.43 . . 1 . . . . . . . . 4758 1 401 . 1 1 45 45 SER HA H 1 5.95 . . 1 . . . . . . . . 4758 1 402 . 1 1 45 45 SER CB C 13 62.72 . . 1 . . . . . . . . 4758 1 403 . 1 1 45 45 SER HB2 H 1 4.32 . . 1 . . . . . . . . 4758 1 404 . 1 1 45 45 SER HB3 H 1 4.06 . . 1 . . . . . . . . 4758 1 405 . 1 1 46 46 THR N N 15 116.63 . . 1 . . . . . . . . 4758 1 406 . 1 1 46 46 THR C C 13 174.03 . . 1 . . . . . . . . 4758 1 407 . 1 1 46 46 THR CA C 13 61.77 . . 1 . . . . . . . . 4758 1 408 . 1 1 46 46 THR HA H 1 4.19 . . 1 . . . . . . . . 4758 1 409 . 1 1 46 46 THR CB C 13 66.40 . . 1 . . . . . . . . 4758 1 410 . 1 1 46 46 THR HB H 1 5.05 . . 1 . . . . . . . . 4758 1 411 . 1 1 46 46 THR HG21 H 1 1.18 . . 1 . . . . . . . . 4758 1 412 . 1 1 46 46 THR HG22 H 1 1.18 . . 1 . . . . . . . . 4758 1 413 . 1 1 46 46 THR HG23 H 1 1.18 . . 1 . . . . . . . . 4758 1 414 . 1 1 47 47 GLY N N 15 110.02 . . 1 . . . . . . . . 4758 1 415 . 1 1 47 47 GLY C C 13 172.55 . . 1 . . . . . . . . 4758 1 416 . 1 1 47 47 GLY CA C 13 43.23 . . 1 . . . . . . . . 4758 1 417 . 1 1 47 47 GLY HA2 H 1 3.45 . . 1 . . . . . . . . 4758 1 418 . 1 1 47 47 GLY HA3 H 1 3.19 . . 1 . . . . . . . . 4758 1 419 . 1 1 48 48 ASN N N 15 123.08 . . 1 . . . . . . . . 4758 1 420 . 1 1 48 48 ASN C C 13 172.03 . . 1 . . . . . . . . 4758 1 421 . 1 1 48 48 ASN CA C 13 49.57 . . 1 . . . . . . . . 4758 1 422 . 1 1 48 48 ASN HA H 1 3.91 . . 1 . . . . . . . . 4758 1 423 . 1 1 48 48 ASN CB C 13 35.28 . . 1 . . . . . . . . 4758 1 424 . 1 1 48 48 ASN HB2 H 1 2.79 . . 1 . . . . . . . . 4758 1 425 . 1 1 48 48 ASN HB3 H 1 2.62 . . 1 . . . . . . . . 4758 1 426 . 1 1 48 48 ASN HD21 H 1 7.67 . . 1 . . . . . . . . 4758 1 427 . 1 1 48 48 ASN HD22 H 1 7.00 . . 1 . . . . . . . . 4758 1 428 . 1 1 48 48 ASN ND2 N 15 109.49 . . 1 . . . . . . . . 4758 1 429 . 1 1 49 49 ASN N N 15 115.44 . . 1 . . . . . . . . 4758 1 430 . 1 1 49 49 ASN C C 13 169.75 . . 1 . . . . . . . . 4758 1 431 . 1 1 49 49 ASN CA C 13 50.76 . . 1 . . . . . . . . 4758 1 432 . 1 1 49 49 ASN HA H 1 4.76 . . 1 . . . . . . . . 4758 1 433 . 1 1 49 49 ASN CB C 13 40.38 . . 1 . . . . . . . . 4758 1 434 . 1 1 49 49 ASN HB2 H 1 2.79 . . 1 . . . . . . . . 4758 1 435 . 1 1 49 49 ASN HB3 H 1 2.32 . . 1 . . . . . . . . 4758 1 436 . 1 1 49 49 ASN HD21 H 1 7.77 . . 1 . . . . . . . . 4758 1 437 . 1 1 49 49 ASN HD22 H 1 6.96 . . 1 . . . . . . . . 4758 1 438 . 1 1 49 49 ASN ND2 N 15 116.35 . . 1 . . . . . . . . 4758 1 439 . 1 1 50 50 ASP N N 15 120.45 . . 1 . . . . . . . . 4758 1 440 . 1 1 50 50 ASP C C 13 171.42 . . 1 . . . . . . . . 4758 1 441 . 1 1 50 50 ASP CA C 13 51.69 . . 1 . . . . . . . . 4758 1 442 . 1 1 50 50 ASP HA H 1 4.99 . . 1 . . . . . . . . 4758 1 443 . 1 1 50 50 ASP CB C 13 40.90 . . 1 . . . . . . . . 4758 1 444 . 1 1 50 50 ASP HB2 H 1 2.56 . . 1 . . . . . . . . 4758 1 445 . 1 1 51 51 LEU N N 15 124.62 . . 1 . . . . . . . . 4758 1 446 . 1 1 51 51 LEU C C 13 173.60 . . 1 . . . . . . . . 4758 1 447 . 1 1 51 51 LEU CA C 13 50.93 . . 1 . . . . . . . . 4758 1 448 . 1 1 51 51 LEU HA H 1 5.34 . . 1 . . . . . . . . 4758 1 449 . 1 1 51 51 LEU CB C 13 45.01 . . 1 . . . . . . . . 4758 1 450 . 1 1 51 51 LEU HB2 H 1 2.07 . . 1 . . . . . . . . 4758 1 451 . 1 1 51 51 LEU HB3 H 1 1.16 . . 1 . . . . . . . . 4758 1 452 . 1 1 51 51 LEU HG H 1 1.45 . . 1 . . . . . . . . 4758 1 453 . 1 1 51 51 LEU HD11 H 1 0.85 . . 1 . . . . . . . . 4758 1 454 . 1 1 51 51 LEU HD12 H 1 0.85 . . 1 . . . . . . . . 4758 1 455 . 1 1 51 51 LEU HD13 H 1 0.85 . . 1 . . . . . . . . 4758 1 456 . 1 1 51 51 LEU HD21 H 1 0.93 . . 1 . . . . . . . . 4758 1 457 . 1 1 51 51 LEU HD22 H 1 0.93 . . 1 . . . . . . . . 4758 1 458 . 1 1 51 51 LEU HD23 H 1 0.93 . . 1 . . . . . . . . 4758 1 459 . 1 1 51 51 LEU CD1 C 13 22.29 . . 1 . . . . . . . . 4758 1 460 . 1 1 51 51 LEU CD2 C 13 26.18 . . 1 . . . . . . . . 4758 1 461 . 1 1 52 52 ILE N N 15 123.85 . . 1 . . . . . . . . 4758 1 462 . 1 1 52 52 ILE C C 13 172.77 . . 1 . . . . . . . . 4758 1 463 . 1 1 52 52 ILE CA C 13 58.24 . . 1 . . . . . . . . 4758 1 464 . 1 1 52 52 ILE HA H 1 4.88 . . 1 . . . . . . . . 4758 1 465 . 1 1 52 52 ILE CB C 13 38.83 . . 1 . . . . . . . . 4758 1 466 . 1 1 52 52 ILE HB H 1 1.44 . . 1 . . . . . . . . 4758 1 467 . 1 1 52 52 ILE HG12 H 1 0.68 . . 1 . . . . . . . . 4758 1 468 . 1 1 52 52 ILE HG21 H 1 0.23 . . 1 . . . . . . . . 4758 1 469 . 1 1 52 52 ILE HG22 H 1 0.23 . . 1 . . . . . . . . 4758 1 470 . 1 1 52 52 ILE HG23 H 1 0.23 . . 1 . . . . . . . . 4758 1 471 . 1 1 52 52 ILE HD11 H 1 0.74 . . 1 . . . . . . . . 4758 1 472 . 1 1 52 52 ILE HD12 H 1 0.74 . . 1 . . . . . . . . 4758 1 473 . 1 1 52 52 ILE HD13 H 1 0.74 . . 1 . . . . . . . . 4758 1 474 . 1 1 53 53 TYR N N 15 121.48 . . 1 . . . . . . . . 4758 1 475 . 1 1 53 53 TYR C C 13 170.05 . . 1 . . . . . . . . 4758 1 476 . 1 1 53 53 TYR CA C 13 52.06 . . 1 . . . . . . . . 4758 1 477 . 1 1 53 53 TYR HA H 1 5.42 . . 1 . . . . . . . . 4758 1 478 . 1 1 53 53 TYR CB C 13 39.43 . . 1 . . . . . . . . 4758 1 479 . 1 1 53 53 TYR HB2 H 1 3.24 . . 1 . . . . . . . . 4758 1 480 . 1 1 53 53 TYR HB3 H 1 2.36 . . 1 . . . . . . . . 4758 1 481 . 1 1 53 53 TYR HD1 H 1 6.59 . . 1 . . . . . . . . 4758 1 482 . 1 1 53 53 TYR HE1 H 1 6.45 . . 1 . . . . . . . . 4758 1 483 . 1 1 54 54 TYR N N 15 119.12 . . 1 . . . . . . . . 4758 1 484 . 1 1 54 54 TYR C C 13 174.33 . . 1 . . . . . . . . 4758 1 485 . 1 1 54 54 TYR CA C 13 54.46 . . 1 . . . . . . . . 4758 1 486 . 1 1 54 54 TYR HA H 1 5.17 . . 1 . . . . . . . . 4758 1 487 . 1 1 54 54 TYR CB C 13 37.07 . . 1 . . . . . . . . 4758 1 488 . 1 1 54 54 TYR HB2 H 1 2.93 . . 1 . . . . . . . . 4758 1 489 . 1 1 54 54 TYR HB3 H 1 2.82 . . 1 . . . . . . . . 4758 1 490 . 1 1 54 54 TYR HD1 H 1 6.85 . . 1 . . . . . . . . 4758 1 491 . 1 1 54 54 TYR HE1 H 1 6.63 . . 1 . . . . . . . . 4758 1 492 . 1 1 55 55 ASP N N 15 124.85 . . 1 . . . . . . . . 4758 1 493 . 1 1 55 55 ASP C C 13 175.95 . . 1 . . . . . . . . 4758 1 494 . 1 1 55 55 ASP CA C 13 50.65 . . 1 . . . . . . . . 4758 1 495 . 1 1 55 55 ASP HA H 1 5.26 . . 1 . . . . . . . . 4758 1 496 . 1 1 55 55 ASP CB C 13 40.65 . . 1 . . . . . . . . 4758 1 497 . 1 1 55 55 ASP HB2 H 1 3.29 . . 1 . . . . . . . . 4758 1 498 . 1 1 55 55 ASP HB3 H 1 2.69 . . 1 . . . . . . . . 4758 1 499 . 1 1 56 56 ALA N N 15 122.43 . . 1 . . . . . . . . 4758 1 500 . 1 1 56 56 ALA C C 13 175.96 . . 1 . . . . . . . . 4758 1 501 . 1 1 56 56 ALA CA C 13 51.84 . . 1 . . . . . . . . 4758 1 502 . 1 1 56 56 ALA HA H 1 4.15 . . 1 . . . . . . . . 4758 1 503 . 1 1 56 56 ALA CB C 13 16.39 . . 1 . . . . . . . . 4758 1 504 . 1 1 56 56 ALA HB1 H 1 1.33 . . 1 . . . . . . . . 4758 1 505 . 1 1 56 56 ALA HB2 H 1 1.33 . . 1 . . . . . . . . 4758 1 506 . 1 1 56 56 ALA HB3 H 1 1.33 . . 1 . . . . . . . . 4758 1 507 . 1 1 57 57 ASN N N 15 115.94 . . 1 . . . . . . . . 4758 1 508 . 1 1 57 57 ASN C C 13 173.71 . . 1 . . . . . . . . 4758 1 509 . 1 1 57 57 ASN CA C 13 50.88 . . 1 . . . . . . . . 4758 1 510 . 1 1 57 57 ASN HA H 1 4.79 . . 1 . . . . . . . . 4758 1 511 . 1 1 57 57 ASN CB C 13 36.66 . . 1 . . . . . . . . 4758 1 512 . 1 1 57 57 ASN HB2 H 1 3.03 . . 1 . . . . . . . . 4758 1 513 . 1 1 57 57 ASN HB3 H 1 2.95 . . 1 . . . . . . . . 4758 1 514 . 1 1 57 57 ASN HD21 H 1 8.10 . . 1 . . . . . . . . 4758 1 515 . 1 1 57 57 ASN HD22 H 1 6.97 . . 1 . . . . . . . . 4758 1 516 . 1 1 57 57 ASN ND2 N 15 113.37 . . 1 . . . . . . . . 4758 1 517 . 1 1 58 58 GLY N N 15 108.07 . . 1 . . . . . . . . 4758 1 518 . 1 1 58 58 GLY C C 13 172.32 . . 1 . . . . . . . . 4758 1 519 . 1 1 58 58 GLY CA C 13 42.95 . . 1 . . . . . . . . 4758 1 520 . 1 1 58 58 GLY HA2 H 1 4.36 . . 1 . . . . . . . . 4758 1 521 . 1 1 58 58 GLY HA3 H 1 3.75 . . 1 . . . . . . . . 4758 1 522 . 1 1 59 59 ASP N N 15 122.46 . . 1 . . . . . . . . 4758 1 523 . 1 1 59 59 ASP C C 13 172.79 . . 1 . . . . . . . . 4758 1 524 . 1 1 59 59 ASP CA C 13 52.37 . . 1 . . . . . . . . 4758 1 525 . 1 1 59 59 ASP HA H 1 4.80 . . 1 . . . . . . . . 4758 1 526 . 1 1 59 59 ASP CB C 13 39.24 . . 1 . . . . . . . . 4758 1 527 . 1 1 59 59 ASP HB2 H 1 2.82 . . 1 . . . . . . . . 4758 1 528 . 1 1 59 59 ASP HB3 H 1 2.56 . . 1 . . . . . . . . 4758 1 529 . 1 1 60 60 SER N N 15 114.93 . . 1 . . . . . . . . 4758 1 530 . 1 1 60 60 SER C C 13 171.69 . . 1 . . . . . . . . 4758 1 531 . 1 1 60 60 SER CA C 13 53.53 . . 1 . . . . . . . . 4758 1 532 . 1 1 60 60 SER HA H 1 5.06 . . 1 . . . . . . . . 4758 1 533 . 1 1 60 60 SER CB C 13 63.72 . . 1 . . . . . . . . 4758 1 534 . 1 1 60 60 SER HB2 H 1 3.44 . . 1 . . . . . . . . 4758 1 535 . 1 1 60 60 SER HB3 H 1 3.27 . . 1 . . . . . . . . 4758 1 536 . 1 1 61 61 VAL N N 15 124.37 . . 1 . . . . . . . . 4758 1 537 . 1 1 61 61 VAL C C 13 170.86 . . 1 . . . . . . . . 4758 1 538 . 1 1 61 61 VAL CA C 13 59.29 . . 1 . . . . . . . . 4758 1 539 . 1 1 61 61 VAL HA H 1 3.77 . . 1 . . . . . . . . 4758 1 540 . 1 1 61 61 VAL CB C 13 32.03 . . 1 . . . . . . . . 4758 1 541 . 1 1 61 61 VAL HB H 1 0.05 . . 1 . . . . . . . . 4758 1 542 . 1 1 61 61 VAL HG11 H 1 0.60 . . 1 . . . . . . . . 4758 1 543 . 1 1 61 61 VAL HG12 H 1 0.60 . . 1 . . . . . . . . 4758 1 544 . 1 1 61 61 VAL HG13 H 1 0.60 . . 1 . . . . . . . . 4758 1 545 . 1 1 61 61 VAL HG21 H 1 0.52 . . 1 . . . . . . . . 4758 1 546 . 1 1 61 61 VAL HG22 H 1 0.52 . . 1 . . . . . . . . 4758 1 547 . 1 1 61 61 VAL HG23 H 1 0.52 . . 1 . . . . . . . . 4758 1 548 . 1 1 61 61 VAL CG1 C 13 18.82 . . 1 . . . . . . . . 4758 1 549 . 1 1 61 61 VAL CG2 C 13 18.76 . . 1 . . . . . . . . 4758 1 550 . 1 1 62 62 ARG N N 15 125.88 . . 1 . . . . . . . . 4758 1 551 . 1 1 62 62 ARG C C 13 174.14 . . 1 . . . . . . . . 4758 1 552 . 1 1 62 62 ARG CA C 13 51.87 . . 1 . . . . . . . . 4758 1 553 . 1 1 62 62 ARG HA H 1 5.17 . . 1 . . . . . . . . 4758 1 554 . 1 1 62 62 ARG CB C 13 29.44 . . 1 . . . . . . . . 4758 1 555 . 1 1 62 62 ARG HB2 H 1 1.70 . . 1 . . . . . . . . 4758 1 556 . 1 1 62 62 ARG HB3 H 1 1.47 . . 1 . . . . . . . . 4758 1 557 . 1 1 62 62 ARG HG2 H 1 1.29 . . 1 . . . . . . . . 4758 1 558 . 1 1 62 62 ARG HG3 H 1 1.45 . . 1 . . . . . . . . 4758 1 559 . 1 1 62 62 ARG HD2 H 1 3.03 . . 1 . . . . . . . . 4758 1 560 . 1 1 62 62 ARG HD3 H 1 3.01 . . 1 . . . . . . . . 4758 1 561 . 1 1 63 63 VAL N N 15 128.20 . . 1 . . . . . . . . 4758 1 562 . 1 1 63 63 VAL C C 13 171.74 . . 1 . . . . . . . . 4758 1 563 . 1 1 63 63 VAL CA C 13 59.54 . . 1 . . . . . . . . 4758 1 564 . 1 1 63 63 VAL HA H 1 4.06 . . 1 . . . . . . . . 4758 1 565 . 1 1 63 63 VAL CB C 13 31.45 . . 1 . . . . . . . . 4758 1 566 . 1 1 63 63 VAL HB H 1 1.96 . . 1 . . . . . . . . 4758 1 567 . 1 1 63 63 VAL HG11 H 1 1.06 . . 1 . . . . . . . . 4758 1 568 . 1 1 63 63 VAL HG12 H 1 1.06 . . 1 . . . . . . . . 4758 1 569 . 1 1 63 63 VAL HG13 H 1 1.06 . . 1 . . . . . . . . 4758 1 570 . 1 1 63 63 VAL HG21 H 1 0.94 . . 1 . . . . . . . . 4758 1 571 . 1 1 63 63 VAL HG22 H 1 0.94 . . 1 . . . . . . . . 4758 1 572 . 1 1 63 63 VAL HG23 H 1 0.94 . . 1 . . . . . . . . 4758 1 573 . 1 1 63 63 VAL CG1 C 13 20.53 . . 1 . . . . . . . . 4758 1 574 . 1 1 63 63 VAL CG2 C 13 18.12 . . 1 . . . . . . . . 4758 1 575 . 1 1 64 64 ASP N N 15 125.53 . . 1 . . . . . . . . 4758 1 576 . 1 1 64 64 ASP C C 13 175.08 . . 1 . . . . . . . . 4758 1 577 . 1 1 64 64 ASP CA C 13 52.44 . . 1 . . . . . . . . 4758 1 578 . 1 1 64 64 ASP HA H 1 4.93 . . 1 . . . . . . . . 4758 1 579 . 1 1 64 64 ASP CB C 13 40.81 . . 1 . . . . . . . . 4758 1 580 . 1 1 64 64 ASP HB2 H 1 2.13 . . 1 . . . . . . . . 4758 1 581 . 1 1 64 64 ASP HB3 H 1 2.81 . . 1 . . . . . . . . 4758 1 582 . 1 1 65 65 ARG N N 15 118.66 . . 1 . . . . . . . . 4758 1 583 . 1 1 65 65 ARG C C 13 175.17 . . 1 . . . . . . . . 4758 1 584 . 1 1 65 65 ARG CA C 13 54.07 . . 1 . . . . . . . . 4758 1 585 . 1 1 65 65 ARG HA H 1 4.46 . . 1 . . . . . . . . 4758 1 586 . 1 1 65 65 ARG CB C 13 28.42 . . 1 . . . . . . . . 4758 1 587 . 1 1 65 65 ARG HB2 H 1 1.45 . . 1 . . . . . . . . 4758 1 588 . 1 1 65 65 ARG HB3 H 1 1.36 . . 1 . . . . . . . . 4758 1 589 . 1 1 65 65 ARG HG2 H 1 1.60 . . 1 . . . . . . . . 4758 1 590 . 1 1 65 65 ARG HG3 H 1 1.55 . . 1 . . . . . . . . 4758 1 591 . 1 1 65 65 ARG HD2 H 1 3.30 . . 1 . . . . . . . . 4758 1 592 . 1 1 65 65 ARG HD3 H 1 2.99 . . 1 . . . . . . . . 4758 1 593 . 1 1 66 66 TRP N N 15 122.45 . . 1 . . . . . . . . 4758 1 594 . 1 1 66 66 TRP C C 13 173.81 . . 1 . . . . . . . . 4758 1 595 . 1 1 66 66 TRP CA C 13 54.27 . . 1 . . . . . . . . 4758 1 596 . 1 1 66 66 TRP HA H 1 4.70 . . 1 . . . . . . . . 4758 1 597 . 1 1 66 66 TRP CB C 13 24.29 . . 1 . . . . . . . . 4758 1 598 . 1 1 66 66 TRP HB2 H 1 3.37 . . 1 . . . . . . . . 4758 1 599 . 1 1 67 67 HIS N N 15 115.86 . . 1 . . . . . . . . 4758 1 600 . 1 1 67 67 HIS C C 13 170.60 . . 1 . . . . . . . . 4758 1 601 . 1 1 67 67 HIS CA C 13 53.71 . . 1 . . . . . . . . 4758 1 602 . 1 1 67 67 HIS HA H 1 4.97 . . 1 . . . . . . . . 4758 1 603 . 1 1 67 67 HIS CB C 13 29.90 . . 1 . . . . . . . . 4758 1 604 . 1 1 67 67 HIS HB2 H 1 3.28 . . 1 . . . . . . . . 4758 1 605 . 1 1 67 67 HIS HB3 H 1 2.95 . . 1 . . . . . . . . 4758 1 606 . 1 1 68 68 ASP N N 15 122.49 . . 1 . . . . . . . . 4758 1 607 . 1 1 68 68 ASP C C 13 172.99 . . 1 . . . . . . . . 4758 1 608 . 1 1 68 68 ASP CA C 13 51.00 . . 1 . . . . . . . . 4758 1 609 . 1 1 68 68 ASP HA H 1 5.96 . . 1 . . . . . . . . 4758 1 610 . 1 1 68 68 ASP CB C 13 40.25 . . 1 . . . . . . . . 4758 1 611 . 1 1 68 68 ASP HB2 H 1 2.66 . . 1 . . . . . . . . 4758 1 612 . 1 1 68 68 ASP HB3 H 1 2.52 . . 1 . . . . . . . . 4758 1 613 . 1 1 69 69 ILE N N 15 123.66 . . 1 . . . . . . . . 4758 1 614 . 1 1 69 69 ILE C C 13 171.81 . . 1 . . . . . . . . 4758 1 615 . 1 1 69 69 ILE CA C 13 56.95 . . 1 . . . . . . . . 4758 1 616 . 1 1 69 69 ILE HA H 1 4.60 . . 1 . . . . . . . . 4758 1 617 . 1 1 69 69 ILE CB C 13 39.06 . . 1 . . . . . . . . 4758 1 618 . 1 1 69 69 ILE HB H 1 1.70 . . 1 . . . . . . . . 4758 1 619 . 1 1 69 69 ILE HG12 H 1 1.40 . . 1 . . . . . . . . 4758 1 620 . 1 1 69 69 ILE HG13 H 1 1.11 . . 1 . . . . . . . . 4758 1 621 . 1 1 69 69 ILE HG21 H 1 0.66 . . 1 . . . . . . . . 4758 1 622 . 1 1 69 69 ILE HG22 H 1 0.66 . . 1 . . . . . . . . 4758 1 623 . 1 1 69 69 ILE HG23 H 1 0.66 . . 1 . . . . . . . . 4758 1 624 . 1 1 69 69 ILE HD11 H 1 0.97 . . 1 . . . . . . . . 4758 1 625 . 1 1 69 69 ILE HD12 H 1 0.97 . . 1 . . . . . . . . 4758 1 626 . 1 1 69 69 ILE HD13 H 1 0.97 . . 1 . . . . . . . . 4758 1 627 . 1 1 70 70 THR N N 15 116.02 . . 1 . . . . . . . . 4758 1 628 . 1 1 70 70 THR C C 13 170.67 . . 1 . . . . . . . . 4758 1 629 . 1 1 70 70 THR CA C 13 57.42 . . 1 . . . . . . . . 4758 1 630 . 1 1 70 70 THR HA H 1 4.80 . . 1 . . . . . . . . 4758 1 631 . 1 1 70 70 THR CB C 13 68.96 . . 1 . . . . . . . . 4758 1 632 . 1 1 70 70 THR HB H 1 4.07 . . 1 . . . . . . . . 4758 1 633 . 1 1 70 70 THR HG21 H 1 1.07 . . 1 . . . . . . . . 4758 1 634 . 1 1 70 70 THR HG22 H 1 1.07 . . 1 . . . . . . . . 4758 1 635 . 1 1 70 70 THR HG23 H 1 1.07 . . 1 . . . . . . . . 4758 1 636 . 1 1 71 71 TYR N N 15 119.22 . . 1 . . . . . . . . 4758 1 637 . 1 1 71 71 TYR CA C 13 52.78 . . 1 . . . . . . . . 4758 1 638 . 1 1 71 71 TYR HA H 1 5.22 . . 1 . . . . . . . . 4758 1 639 . 1 1 71 71 TYR CB C 13 36.63 . . 1 . . . . . . . . 4758 1 640 . 1 1 71 71 TYR HB2 H 1 3.27 . . 1 . . . . . . . . 4758 1 641 . 1 1 71 71 TYR HB3 H 1 3.03 . . 1 . . . . . . . . 4758 1 642 . 1 1 71 71 TYR HD1 H 1 7.08 . . 1 . . . . . . . . 4758 1 643 . 1 1 71 71 TYR HE1 H 1 6.63 . . 1 . . . . . . . . 4758 1 644 . 1 1 72 72 PRO C C 13 174.85 . . 1 . . . . . . . . 4758 1 645 . 1 1 72 72 PRO CA C 13 62.14 . . 1 . . . . . . . . 4758 1 646 . 1 1 72 72 PRO HA H 1 4.38 . . 1 . . . . . . . . 4758 1 647 . 1 1 72 72 PRO CB C 13 30.02 . . 1 . . . . . . . . 4758 1 648 . 1 1 72 72 PRO HB2 H 1 2.30 . . 1 . . . . . . . . 4758 1 649 . 1 1 72 72 PRO HB3 H 1 1.93 . . 1 . . . . . . . . 4758 1 650 . 1 1 72 72 PRO HG2 H 1 2.28 . . 1 . . . . . . . . 4758 1 651 . 1 1 72 72 PRO HG3 H 1 1.99 . . 1 . . . . . . . . 4758 1 652 . 1 1 72 72 PRO HD2 H 1 3.44 . . 1 . . . . . . . . 4758 1 653 . 1 1 73 73 ASN N N 15 113.69 . . 1 . . . . . . . . 4758 1 654 . 1 1 73 73 ASN C C 13 172.07 . . 1 . . . . . . . . 4758 1 655 . 1 1 73 73 ASN CA C 13 51.49 . . 1 . . . . . . . . 4758 1 656 . 1 1 73 73 ASN HA H 1 4.90 . . 1 . . . . . . . . 4758 1 657 . 1 1 73 73 ASN CB C 13 38.43 . . 1 . . . . . . . . 4758 1 658 . 1 1 73 73 ASN HB2 H 1 2.82 . . 1 . . . . . . . . 4758 1 659 . 1 1 73 73 ASN HD21 H 1 7.87 . . 1 . . . . . . . . 4758 1 660 . 1 1 73 73 ASN HD22 H 1 7.19 . . 1 . . . . . . . . 4758 1 661 . 1 1 73 73 ASN ND2 N 15 113.70 . . 1 . . . . . . . . 4758 1 662 . 1 1 74 74 ARG N N 15 119.83 . . 1 . . . . . . . . 4758 1 663 . 1 1 74 74 ARG CA C 13 52.36 . . 1 . . . . . . . . 4758 1 664 . 1 1 74 74 ARG HA H 1 4.51 . . 1 . . . . . . . . 4758 1 665 . 1 1 74 74 ARG CB C 13 27.74 . . 1 . . . . . . . . 4758 1 666 . 1 1 74 74 ARG HB2 H 1 1.92 . . 1 . . . . . . . . 4758 1 667 . 1 1 74 74 ARG HB3 H 1 1.77 . . 1 . . . . . . . . 4758 1 668 . 1 1 74 74 ARG HG2 H 1 1.60 . . 1 . . . . . . . . 4758 1 669 . 1 1 74 74 ARG HD2 H 1 3.26 . . 1 . . . . . . . . 4758 1 670 . 1 1 75 75 PRO HA H 1 4.80 . . 1 . . . . . . . . 4758 1 671 . 1 1 75 75 PRO HB2 H 1 2.60 . . 1 . . . . . . . . 4758 1 672 . 1 1 75 75 PRO HB3 H 1 2.13 . . 1 . . . . . . . . 4758 1 673 . 1 1 75 75 PRO HG2 H 1 1.98 . . 1 . . . . . . . . 4758 1 674 . 1 1 75 75 PRO HD2 H 1 3.68 . . 1 . . . . . . . . 4758 1 675 . 1 1 75 75 PRO HD3 H 1 3.40 . . 1 . . . . . . . . 4758 1 676 . 1 1 76 76 PRO C C 13 173.00 . . 1 . . . . . . . . 4758 1 677 . 1 1 76 76 PRO CA C 13 59.83 . . 1 . . . . . . . . 4758 1 678 . 1 1 76 76 PRO HA H 1 4.50 . . 1 . . . . . . . . 4758 1 679 . 1 1 76 76 PRO CB C 13 29.61 . . 1 . . . . . . . . 4758 1 680 . 1 1 76 76 PRO HB2 H 1 2.12 . . 1 . . . . . . . . 4758 1 681 . 1 1 76 76 PRO HB3 H 1 1.46 . . 1 . . . . . . . . 4758 1 682 . 1 1 76 76 PRO HG2 H 1 1.40 . . 1 . . . . . . . . 4758 1 683 . 1 1 76 76 PRO HG3 H 1 1.36 . . 1 . . . . . . . . 4758 1 684 . 1 1 76 76 PRO HD2 H 1 3.26 . . 1 . . . . . . . . 4758 1 685 . 1 1 76 76 PRO HD3 H 1 2.86 . . 1 . . . . . . . . 4758 1 686 . 1 1 77 77 LYS N N 15 124.16 . . 1 . . . . . . . . 4758 1 687 . 1 1 77 77 LYS C C 13 173.55 . . 1 . . . . . . . . 4758 1 688 . 1 1 77 77 LYS CA C 13 53.80 . . 1 . . . . . . . . 4758 1 689 . 1 1 77 77 LYS HA H 1 3.75 . . 1 . . . . . . . . 4758 1 690 . 1 1 77 77 LYS CB C 13 30.29 . . 1 . . . . . . . . 4758 1 691 . 1 1 77 77 LYS HB2 H 1 1.47 . . 1 . . . . . . . . 4758 1 692 . 1 1 77 77 LYS HB3 H 1 0.73 . . 1 . . . . . . . . 4758 1 693 . 1 1 77 77 LYS HG2 H 1 0.26 . . 1 . . . . . . . . 4758 1 694 . 1 1 77 77 LYS HG3 H 1 -0.06 . . 1 . . . . . . . . 4758 1 695 . 1 1 77 77 LYS HD2 H 1 1.19 . . 1 . . . . . . . . 4758 1 696 . 1 1 77 77 LYS HD3 H 1 1.14 . . 1 . . . . . . . . 4758 1 697 . 1 1 77 77 LYS HE2 H 1 2.56 . . 1 . . . . . . . . 4758 1 698 . 1 1 77 77 LYS HE3 H 1 2.50 . . 1 . . . . . . . . 4758 1 699 . 1 1 78 78 VAL N N 15 126.51 . . 1 . . . . . . . . 4758 1 700 . 1 1 78 78 VAL C C 13 172.79 . . 1 . . . . . . . . 4758 1 701 . 1 1 78 78 VAL CA C 13 62.01 . . 1 . . . . . . . . 4758 1 702 . 1 1 78 78 VAL HA H 1 4.03 . . 1 . . . . . . . . 4758 1 703 . 1 1 78 78 VAL CB C 13 30.62 . . 1 . . . . . . . . 4758 1 704 . 1 1 78 78 VAL HB H 1 1.80 . . 1 . . . . . . . . 4758 1 705 . 1 1 78 78 VAL HG11 H 1 0.56 . . 1 . . . . . . . . 4758 1 706 . 1 1 78 78 VAL HG12 H 1 0.56 . . 1 . . . . . . . . 4758 1 707 . 1 1 78 78 VAL HG13 H 1 0.56 . . 1 . . . . . . . . 4758 1 708 . 1 1 78 78 VAL HG21 H 1 0.35 . . 1 . . . . . . . . 4758 1 709 . 1 1 78 78 VAL HG22 H 1 0.35 . . 1 . . . . . . . . 4758 1 710 . 1 1 78 78 VAL HG23 H 1 0.35 . . 1 . . . . . . . . 4758 1 711 . 1 1 78 78 VAL CG1 C 13 21.07 . . 1 . . . . . . . . 4758 1 712 . 1 1 78 78 VAL CG2 C 13 21.56 . . 1 . . . . . . . . 4758 1 713 . 1 1 79 79 ASN N N 15 125.65 . . 1 . . . . . . . . 4758 1 714 . 1 1 79 79 ASN C C 13 175.25 . . 1 . . . . . . . . 4758 1 715 . 1 1 79 79 ASN CA C 13 51.78 . . 1 . . . . . . . . 4758 1 716 . 1 1 79 79 ASN HA H 1 4.90 . . 1 . . . . . . . . 4758 1 717 . 1 1 79 79 ASN CB C 13 37.46 . . 1 . . . . . . . . 4758 1 718 . 1 1 79 79 ASN HB2 H 1 2.86 . . 1 . . . . . . . . 4758 1 719 . 1 1 79 79 ASN HB3 H 1 2.56 . . 1 . . . . . . . . 4758 1 720 . 1 1 79 79 ASN HD21 H 1 7.50 . . 1 . . . . . . . . 4758 1 721 . 1 1 79 79 ASN HD22 H 1 6.99 . . 1 . . . . . . . . 4758 1 722 . 1 1 79 79 ASN ND2 N 15 108.94 . . 1 . . . . . . . . 4758 1 723 . 1 1 80 80 SER N N 15 113.69 . . 1 . . . . . . . . 4758 1 724 . 1 1 80 80 SER C C 13 169.58 . . 1 . . . . . . . . 4758 1 725 . 1 1 80 80 SER CA C 13 55.99 . . 1 . . . . . . . . 4758 1 726 . 1 1 80 80 SER HA H 1 5.13 . . 1 . . . . . . . . 4758 1 727 . 1 1 80 80 SER CB C 13 62.69 . . 1 . . . . . . . . 4758 1 728 . 1 1 80 80 SER HB2 H 1 3.87 . . 1 . . . . . . . . 4758 1 729 . 1 1 80 80 SER HB3 H 1 3.77 . . 1 . . . . . . . . 4758 1 730 . 1 1 81 81 ILE N N 15 115.99 . . 1 . . . . . . . . 4758 1 731 . 1 1 81 81 ILE C C 13 171.01 . . 1 . . . . . . . . 4758 1 732 . 1 1 81 81 ILE CA C 13 57.61 . . 1 . . . . . . . . 4758 1 733 . 1 1 81 81 ILE HA H 1 4.95 . . 1 . . . . . . . . 4758 1 734 . 1 1 81 81 ILE CB C 13 40.32 . . 1 . . . . . . . . 4758 1 735 . 1 1 81 81 ILE HB H 1 1.38 . . 1 . . . . . . . . 4758 1 736 . 1 1 81 81 ILE HG12 H 1 1.14 . . 1 . . . . . . . . 4758 1 737 . 1 1 81 81 ILE HG13 H 1 0.49 . . 1 . . . . . . . . 4758 1 738 . 1 1 81 81 ILE HG21 H 1 0.31 . . 1 . . . . . . . . 4758 1 739 . 1 1 81 81 ILE HG22 H 1 0.31 . . 1 . . . . . . . . 4758 1 740 . 1 1 81 81 ILE HG23 H 1 0.31 . . 1 . . . . . . . . 4758 1 741 . 1 1 81 81 ILE HD11 H 1 -0.34 . . 1 . . . . . . . . 4758 1 742 . 1 1 81 81 ILE HD12 H 1 -0.34 . . 1 . . . . . . . . 4758 1 743 . 1 1 81 81 ILE HD13 H 1 -0.34 . . 1 . . . . . . . . 4758 1 744 . 1 1 82 82 GLU N N 15 122.86 . . 1 . . . . . . . . 4758 1 745 . 1 1 82 82 GLU C C 13 172.42 . . 1 . . . . . . . . 4758 1 746 . 1 1 82 82 GLU CA C 13 52.09 . . 1 . . . . . . . . 4758 1 747 . 1 1 82 82 GLU HA H 1 5.40 . . 1 . . . . . . . . 4758 1 748 . 1 1 82 82 GLU CB C 13 32.12 . . 1 . . . . . . . . 4758 1 749 . 1 1 82 82 GLU HB2 H 1 2.26 . . 1 . . . . . . . . 4758 1 750 . 1 1 82 82 GLU HB3 H 1 1.85 . . 1 . . . . . . . . 4758 1 751 . 1 1 82 82 GLU HG2 H 1 1.92 . . 1 . . . . . . . . 4758 1 752 . 1 1 83 83 ILE N N 15 126.33 . . 1 . . . . . . . . 4758 1 753 . 1 1 83 83 ILE C C 13 174.85 . . 1 . . . . . . . . 4758 1 754 . 1 1 83 83 ILE CA C 13 59.29 . . 1 . . . . . . . . 4758 1 755 . 1 1 83 83 ILE HA H 1 4.63 . . 1 . . . . . . . . 4758 1 756 . 1 1 83 83 ILE CB C 13 36.00 . . 1 . . . . . . . . 4758 1 757 . 1 1 83 83 ILE HB H 1 2.03 . . 1 . . . . . . . . 4758 1 758 . 1 1 83 83 ILE HG12 H 1 1.57 . . 1 . . . . . . . . 4758 1 759 . 1 1 83 83 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 4758 1 760 . 1 1 83 83 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 4758 1 761 . 1 1 83 83 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 4758 1 762 . 1 1 83 83 ILE HD11 H 1 0.76 . . 1 . . . . . . . . 4758 1 763 . 1 1 83 83 ILE HD12 H 1 0.76 . . 1 . . . . . . . . 4758 1 764 . 1 1 83 83 ILE HD13 H 1 0.76 . . 1 . . . . . . . . 4758 1 765 . 1 1 84 84 LEU N N 15 135.64 . . 1 . . . . . . . . 4758 1 766 . 1 1 84 84 LEU CA C 13 54.80 . . 1 . . . . . . . . 4758 1 767 . 1 1 84 84 LEU HA H 1 4.15 . . 1 . . . . . . . . 4758 1 768 . 1 1 84 84 LEU CB C 13 41.16 . . 1 . . . . . . . . 4758 1 769 . 1 1 84 84 LEU HB2 H 1 1.62 . . 1 . . . . . . . . 4758 1 770 . 1 1 84 84 LEU HB3 H 1 1.58 . . 1 . . . . . . . . 4758 1 771 . 1 1 84 84 LEU HG H 1 1.48 . . 1 . . . . . . . . 4758 1 772 . 1 1 84 84 LEU HD11 H 1 0.75 . . 1 . . . . . . . . 4758 1 773 . 1 1 84 84 LEU HD12 H 1 0.75 . . 1 . . . . . . . . 4758 1 774 . 1 1 84 84 LEU HD13 H 1 0.75 . . 1 . . . . . . . . 4758 1 775 . 1 1 84 84 LEU CD1 C 13 22.98 . . 1 . . . . . . . . 4758 1 776 . 1 1 84 84 LEU CD2 C 13 20.25 . . 1 . . . . . . . . 4758 1 stop_ save_