data_5255 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5255 _Entry.Title ; Ancestral beta/gamma-crystallin precursor structure in a yeast killer toxin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-01-09 _Entry.Accession_date 2002-01-10 _Entry.Last_release_date 2002-02-08 _Entry.Original_release_date 2002-02-08 _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 W. Antuch . . . 5255 2 Peter Guntert . . . 5255 3 Kurt Wuthrich . . . 5255 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5255 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 512 5255 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 . . 2002-02-08 2002-01-09 original author . 5255 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5255 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 8756320 _Citation.Full_citation . _Citation.Title 'Ancestral beta/gamma-crystallin precursor structure in a yeast killer toxin' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 3 _Citation.Journal_issue 8 _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 622 _Citation.Page_last 665 _Citation.Year 1996 _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 W. Antuch . . . 5255 1 2 Peter Guntert . . . 5255 1 3 Kurt Wuthrich . . . 5255 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_WmKT _Assembly.Sf_category assembly _Assembly.Sf_framecode system_WmKT _Assembly.Entry_ID 5255 _Assembly.ID 1 _Assembly.Name WmKT _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 5255 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 WmKT 1 $WmKT . . . native . . . . . 5255 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 8 8 SG . 1 . 1 CYS 18 18 SG . . . . . . . . . . 5255 1 2 disulfide single . 1 . . CYS 11 11 SG . 1 . 1 CYS 72 72 SG . . . . . . . . . . 5255 1 3 disulfide single . 1 . . CYS 27 27 SG . 1 . 1 CYS 58 58 SG . . . . . . . . . . 5255 1 4 disulfide single . 1 . . CYS 49 49 SG . 1 . 1 CYS 66 66 SG . . . . . . . . . . 5255 1 5 disulfide single . 1 . . CYS 67 67 SG . 1 . 1 CYS 73 73 SG . . . . . . . . . . 5255 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1WKT . . . . . . 5255 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID WmKT abbreviation 5255 1 WmKT system 5255 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_WmKT _Entity.Sf_category entity _Entity.Sf_framecode WmKT _Entity.Entry_ID 5255 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'yeast killer toxin' _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 ; GDGYLIMCKNCDPNTGSCDW KQNWNTCVGIGANVHWMVTG GSTDGKQGCATIWEGSGCVG RSTTMCCPANTCCNINTGFY IRSYRRVE ; _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 88 _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WKT . "Williopsis Mrakii Killer Toxin, Nmr Solution Structure" . . . . . 100.00 88 100.00 100.00 6.74e-56 . . . . 5255 1 2 no DBJ BAA02704 . "killer toxin [Cyberlindnera mrakii]" . . . . . 100.00 125 100.00 100.00 2.14e-57 . . . . 5255 1 3 no PRF 1203262A . toxin,killer . . . . . 100.00 88 100.00 100.00 6.74e-56 . . . . 5255 1 4 no PRF 2005200A . "killer toxin" . . . . . 100.00 125 100.00 100.00 2.14e-57 . . . . 5255 1 5 no SP P10410 . "RecName: Full=Killer toxin HM-1; Flags: Precursor [Cyberlindnera mrakii]" . . . . . 100.00 125 100.00 100.00 2.14e-57 . . . . 5255 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID WmKT abbreviation 5255 1 'yeast killer toxin' common 5255 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5255 1 2 . ASP . 5255 1 3 . GLY . 5255 1 4 . TYR . 5255 1 5 . LEU . 5255 1 6 . ILE . 5255 1 7 . MET . 5255 1 8 . CYS . 5255 1 9 . LYS . 5255 1 10 . ASN . 5255 1 11 . CYS . 5255 1 12 . ASP . 5255 1 13 . PRO . 5255 1 14 . ASN . 5255 1 15 . THR . 5255 1 16 . GLY . 5255 1 17 . SER . 5255 1 18 . CYS . 5255 1 19 . ASP . 5255 1 20 . TRP . 5255 1 21 . LYS . 5255 1 22 . GLN . 5255 1 23 . ASN . 5255 1 24 . TRP . 5255 1 25 . ASN . 5255 1 26 . THR . 5255 1 27 . CYS . 5255 1 28 . VAL . 5255 1 29 . GLY . 5255 1 30 . ILE . 5255 1 31 . GLY . 5255 1 32 . ALA . 5255 1 33 . ASN . 5255 1 34 . VAL . 5255 1 35 . HIS . 5255 1 36 . TRP . 5255 1 37 . MET . 5255 1 38 . VAL . 5255 1 39 . THR . 5255 1 40 . GLY . 5255 1 41 . GLY . 5255 1 42 . SER . 5255 1 43 . THR . 5255 1 44 . ASP . 5255 1 45 . GLY . 5255 1 46 . LYS . 5255 1 47 . GLN . 5255 1 48 . GLY . 5255 1 49 . CYS . 5255 1 50 . ALA . 5255 1 51 . THR . 5255 1 52 . ILE . 5255 1 53 . TRP . 5255 1 54 . GLU . 5255 1 55 . GLY . 5255 1 56 . SER . 5255 1 57 . GLY . 5255 1 58 . CYS . 5255 1 59 . VAL . 5255 1 60 . GLY . 5255 1 61 . ARG . 5255 1 62 . SER . 5255 1 63 . THR . 5255 1 64 . THR . 5255 1 65 . MET . 5255 1 66 . CYS . 5255 1 67 . CYS . 5255 1 68 . PRO . 5255 1 69 . ALA . 5255 1 70 . ASN . 5255 1 71 . THR . 5255 1 72 . CYS . 5255 1 73 . CYS . 5255 1 74 . ASN . 5255 1 75 . ILE . 5255 1 76 . ASN . 5255 1 77 . THR . 5255 1 78 . GLY . 5255 1 79 . PHE . 5255 1 80 . TYR . 5255 1 81 . ILE . 5255 1 82 . ARG . 5255 1 83 . SER . 5255 1 84 . TYR . 5255 1 85 . ARG . 5255 1 86 . ARG . 5255 1 87 . VAL . 5255 1 88 . GLU . 5255 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5255 1 . ASP 2 2 5255 1 . GLY 3 3 5255 1 . TYR 4 4 5255 1 . LEU 5 5 5255 1 . ILE 6 6 5255 1 . MET 7 7 5255 1 . CYS 8 8 5255 1 . LYS 9 9 5255 1 . ASN 10 10 5255 1 . CYS 11 11 5255 1 . ASP 12 12 5255 1 . PRO 13 13 5255 1 . ASN 14 14 5255 1 . THR 15 15 5255 1 . GLY 16 16 5255 1 . SER 17 17 5255 1 . CYS 18 18 5255 1 . ASP 19 19 5255 1 . TRP 20 20 5255 1 . LYS 21 21 5255 1 . GLN 22 22 5255 1 . ASN 23 23 5255 1 . TRP 24 24 5255 1 . ASN 25 25 5255 1 . THR 26 26 5255 1 . CYS 27 27 5255 1 . VAL 28 28 5255 1 . GLY 29 29 5255 1 . ILE 30 30 5255 1 . GLY 31 31 5255 1 . ALA 32 32 5255 1 . ASN 33 33 5255 1 . VAL 34 34 5255 1 . HIS 35 35 5255 1 . TRP 36 36 5255 1 . MET 37 37 5255 1 . VAL 38 38 5255 1 . THR 39 39 5255 1 . GLY 40 40 5255 1 . GLY 41 41 5255 1 . SER 42 42 5255 1 . THR 43 43 5255 1 . ASP 44 44 5255 1 . GLY 45 45 5255 1 . LYS 46 46 5255 1 . GLN 47 47 5255 1 . GLY 48 48 5255 1 . CYS 49 49 5255 1 . ALA 50 50 5255 1 . THR 51 51 5255 1 . ILE 52 52 5255 1 . TRP 53 53 5255 1 . GLU 54 54 5255 1 . GLY 55 55 5255 1 . SER 56 56 5255 1 . GLY 57 57 5255 1 . CYS 58 58 5255 1 . VAL 59 59 5255 1 . GLY 60 60 5255 1 . ARG 61 61 5255 1 . SER 62 62 5255 1 . THR 63 63 5255 1 . THR 64 64 5255 1 . MET 65 65 5255 1 . CYS 66 66 5255 1 . CYS 67 67 5255 1 . PRO 68 68 5255 1 . ALA 69 69 5255 1 . ASN 70 70 5255 1 . THR 71 71 5255 1 . CYS 72 72 5255 1 . CYS 73 73 5255 1 . ASN 74 74 5255 1 . ILE 75 75 5255 1 . ASN 76 76 5255 1 . THR 77 77 5255 1 . GLY 78 78 5255 1 . PHE 79 79 5255 1 . TYR 80 80 5255 1 . ILE 81 81 5255 1 . ARG 82 82 5255 1 . SER 83 83 5255 1 . TYR 84 84 5255 1 . ARG 85 85 5255 1 . ARG 86 86 5255 1 . VAL 87 87 5255 1 . GLU 88 88 5255 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 5255 _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 $WmKT . 4932 . . 'Saccharomyces cerevisiae' Yeast . . Eubacteria Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 5255 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 5255 _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 $WmKT . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5255 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5255 _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' . . . 1 $WmKT . . 3.0 . . mM . . . . 5255 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5255 _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 5.0 0.2 n/a 5255 1 temperature 309 1 K 5255 1 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 5255 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5255 _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 Varian Unity-plus . 750 . . . 5255 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 5255 _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 5255 _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 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5255 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 5255 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5255 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 GLY HA2 H 1 4.024 . . . . . . . . . . . 5255 1 2 . 1 1 1 1 GLY HA3 H 1 4.105 . . . . . . . . . . . 5255 1 3 . 1 1 2 2 ASP H H 1 9.226 . . . . . . . . . . . 5255 1 4 . 1 1 2 2 ASP HA H 1 4.792 . . . . . . . . . . . 5255 1 5 . 1 1 2 2 ASP HB2 H 1 2.816 . . . . . . . . . . . 5255 1 6 . 1 1 2 2 ASP HB3 H 1 3.057 . . . . . . . . . . . 5255 1 7 . 1 1 3 3 GLY H H 1 8.629 . . . . . . . . . . . 5255 1 8 . 1 1 3 3 GLY HA2 H 1 3.908 . . . . . . . . . . . 5255 1 9 . 1 1 3 3 GLY HA3 H 1 4.136 . . . . . . . . . . . 5255 1 10 . 1 1 4 4 TYR H H 1 8.516 . . . . . . . . . . . 5255 1 11 . 1 1 4 4 TYR HA H 1 4.846 . . . . . . . . . . . 5255 1 12 . 1 1 4 4 TYR HB3 H 1 2.946 . . . . . . . . . . . 5255 1 13 . 1 1 4 4 TYR HB2 H 1 3.110 . . . . . . . . . . . 5255 1 14 . 1 1 4 4 TYR HE1 H 1 6.514 . . . . . . . . . . . 5255 1 15 . 1 1 4 4 TYR HD1 H 1 6.855 . . . . . . . . . . . 5255 1 16 . 1 1 5 5 LEU H H 1 8.047 . . . . . . . . . . . 5255 1 17 . 1 1 5 5 LEU HA H 1 5.037 . . . . . . . . . . . 5255 1 18 . 1 1 5 5 LEU HB2 H 1 1.447 . . . . . . . . . . . 5255 1 19 . 1 1 5 5 LEU HG H 1 1.311 . . . . . . . . . . . 5255 1 20 . 1 1 5 5 LEU HD21 H 1 0.693 . . . . . . . . . . . 5255 1 21 . 1 1 5 5 LEU HD22 H 1 0.693 . . . . . . . . . . . 5255 1 22 . 1 1 5 5 LEU HD23 H 1 0.693 . . . . . . . . . . . 5255 1 23 . 1 1 5 5 LEU HD11 H 1 0.623 . . . . . . . . . . . 5255 1 24 . 1 1 5 5 LEU HD12 H 1 0.623 . . . . . . . . . . . 5255 1 25 . 1 1 5 5 LEU HD13 H 1 0.623 . . . . . . . . . . . 5255 1 26 . 1 1 6 6 ILE H H 1 9.153 . . . . . . . . . . . 5255 1 27 . 1 1 6 6 ILE HA H 1 4.790 . . . . . . . . . . . 5255 1 28 . 1 1 6 6 ILE HG12 H 1 0.984 . . . . . . . . . . . 5255 1 29 . 1 1 6 6 ILE HG13 H 1 1.273 . . . . . . . . . . . 5255 1 30 . 1 1 6 6 ILE HB H 1 1.391 . . . . . . . . . . . 5255 1 31 . 1 1 7 7 MET H H 1 8.165 . . . . . . . . . . . 5255 1 32 . 1 1 7 7 MET HA H 1 5.238 . . . . . . . . . . . 5255 1 33 . 1 1 7 7 MET HB2 H 1 1.533 . . . . . . . . . . . 5255 1 34 . 1 1 7 7 MET HB3 H 1 1.872 . . . . . . . . . . . 5255 1 35 . 1 1 7 7 MET HG2 H 1 1.681 . . . . . . . . . . . 5255 1 36 . 1 1 7 7 MET HG3 H 1 1.994 . . . . . . . . . . . 5255 1 37 . 1 1 8 8 CYS H H 1 9.402 . . . . . . . . . . . 5255 1 38 . 1 1 8 8 CYS HA H 1 5.253 . . . . . . . . . . . 5255 1 39 . 1 1 8 8 CYS HB2 H 1 3.040 . . . . . . . . . . . 5255 1 40 . 1 1 8 8 CYS HB3 H 1 3.467 . . . . . . . . . . . 5255 1 41 . 1 1 9 9 LYS H H 1 8.747 . . . . . . . . . . . 5255 1 42 . 1 1 9 9 LYS HA H 1 4.729 . . . . . . . . . . . 5255 1 43 . 1 1 9 9 LYS HB2 H 1 1.824 . . . . . . . . . . . 5255 1 44 . 1 1 9 9 LYS HB3 H 1 2.068 . . . . . . . . . . . 5255 1 45 . 1 1 9 9 LYS HD2 H 1 1.652 . . . . . . . . . . . 5255 1 46 . 1 1 9 9 LYS HG2 H 1 1.435 . . . . . . . . . . . 5255 1 47 . 1 1 10 10 ASN H H 1 7.730 . . . . . . . . . . . 5255 1 48 . 1 1 10 10 ASN HA H 1 3.874 . . . . . . . . . . . 5255 1 49 . 1 1 10 10 ASN HB2 H 1 2.592 . . . . . . . . . . . 5255 1 50 . 1 1 10 10 ASN HB3 H 1 2.824 . . . . . . . . . . . 5255 1 51 . 1 1 10 10 ASN HD22 H 1 7.371 . . . . . . . . . . . 5255 1 52 . 1 1 10 10 ASN HD21 H 1 6.731 . . . . . . . . . . . 5255 1 53 . 1 1 11 11 CYS H H 1 7.250 . . . . . . . . . . . 5255 1 54 . 1 1 11 11 CYS HA H 1 4.262 . . . . . . . . . . . 5255 1 55 . 1 1 11 11 CYS HB3 H 1 2.041 . . . . . . . . . . . 5255 1 56 . 1 1 11 11 CYS HB2 H 1 3.011 . . . . . . . . . . . 5255 1 57 . 1 1 12 12 ASP H H 1 7.922 . . . . . . . . . . . 5255 1 58 . 1 1 12 12 ASP HA H 1 4.857 . . . . . . . . . . . 5255 1 59 . 1 1 12 12 ASP HB2 H 1 2.345 . . . . . . . . . . . 5255 1 60 . 1 1 12 12 ASP HB3 H 1 2.769 . . . . . . . . . . . 5255 1 61 . 1 1 13 13 PRO HA H 1 4.587 . . . . . . . . . . . 5255 1 62 . 1 1 13 13 PRO HB2 H 1 2.096 . . . . . . . . . . . 5255 1 63 . 1 1 13 13 PRO HB3 H 1 2.294 . . . . . . . . . . . 5255 1 64 . 1 1 13 13 PRO HG2 H 1 1.977 . . . . . . . . . . . 5255 1 65 . 1 1 13 13 PRO HG3 H 1 2.084 . . . . . . . . . . . 5255 1 66 . 1 1 13 13 PRO HD2 H 1 3.852 . . . . . . . . . . . 5255 1 67 . 1 1 13 13 PRO HD3 H 1 4.014 . . . . . . . . . . . 5255 1 68 . 1 1 14 14 ASN H H 1 8.392 . . . . . . . . . . . 5255 1 69 . 1 1 14 14 ASN HA H 1 4.772 . . . . . . . . . . . 5255 1 70 . 1 1 14 14 ASN HB2 H 1 2.881 . . . . . . . . . . . 5255 1 71 . 1 1 14 14 ASN HB3 H 1 2.987 . . . . . . . . . . . 5255 1 72 . 1 1 14 14 ASN HD22 H 1 6.960 . . . . . . . . . . . 5255 1 73 . 1 1 14 14 ASN HD21 H 1 7.867 . . . . . . . . . . . 5255 1 74 . 1 1 15 15 THR H H 1 7.982 . . . . . . . . . . . 5255 1 75 . 1 1 15 15 THR HA H 1 4.506 . . . . . . . . . . . 5255 1 76 . 1 1 15 15 THR HB H 1 4.497 . . . . . . . . . . . 5255 1 77 . 1 1 15 15 THR HG21 H 1 1.157 . . . . . . . . . . . 5255 1 78 . 1 1 15 15 THR HG22 H 1 1.157 . . . . . . . . . . . 5255 1 79 . 1 1 15 15 THR HG23 H 1 1.157 . . . . . . . . . . . 5255 1 80 . 1 1 16 16 GLY H H 1 8.187 . . . . . . . . . . . 5255 1 81 . 1 1 16 16 GLY HA3 H 1 3.968 . . . . . . . . . . . 5255 1 82 . 1 1 16 16 GLY HA2 H 1 4.101 . . . . . . . . . . . 5255 1 83 . 1 1 17 17 SER H H 1 8.196 . . . . . . . . . . . 5255 1 84 . 1 1 17 17 SER HA H 1 4.369 . . . . . . . . . . . 5255 1 85 . 1 1 17 17 SER HB2 H 1 3.966 . . . . . . . . . . . 5255 1 86 . 1 1 17 17 SER HB3 H 1 3.990 . . . . . . . . . . . 5255 1 87 . 1 1 18 18 CYS H H 1 8.274 . . . . . . . . . . . 5255 1 88 . 1 1 18 18 CYS HA H 1 5.319 . . . . . . . . . . . 5255 1 89 . 1 1 18 18 CYS HB3 H 1 2.270 . . . . . . . . . . . 5255 1 90 . 1 1 18 18 CYS HB2 H 1 2.974 . . . . . . . . . . . 5255 1 91 . 1 1 19 19 ASP H H 1 8.566 . . . . . . . . . . . 5255 1 92 . 1 1 19 19 ASP HA H 1 4.500 . . . . . . . . . . . 5255 1 93 . 1 1 19 19 ASP HB2 H 1 2.796 . . . . . . . . . . . 5255 1 94 . 1 1 19 19 ASP HB3 H 1 2.963 . . . . . . . . . . . 5255 1 95 . 1 1 20 20 TRP H H 1 8.181 . . . . . . . . . . . 5255 1 96 . 1 1 20 20 TRP HA H 1 4.165 . . . . . . . . . . . 5255 1 97 . 1 1 20 20 TRP HB2 H 1 3.181 . . . . . . . . . . . 5255 1 98 . 1 1 20 20 TRP HB3 H 1 3.383 . . . . . . . . . . . 5255 1 99 . 1 1 20 20 TRP HD1 H 1 6.998 . . . . . . . . . . . 5255 1 100 . 1 1 20 20 TRP HE1 H 1 9.557 . . . . . . . . . . . 5255 1 101 . 1 1 20 20 TRP HZ2 H 1 7.003 . . . . . . . . . . . 5255 1 102 . 1 1 20 20 TRP HH2 H 1 6.098 . . . . . . . . . . . 5255 1 103 . 1 1 20 20 TRP HZ3 H 1 6.335 . . . . . . . . . . . 5255 1 104 . 1 1 20 20 TRP HE3 H 1 7.320 . . . . . . . . . . . 5255 1 105 . 1 1 21 21 LYS H H 1 7.658 . . . . . . . . . . . 5255 1 106 . 1 1 21 21 LYS HA H 1 4.651 . . . . . . . . . . . 5255 1 107 . 1 1 21 21 LYS HB2 H 1 1.618 . . . . . . . . . . . 5255 1 108 . 1 1 21 21 LYS HD2 H 1 1.782 . . . . . . . . . . . 5255 1 109 . 1 1 21 21 LYS HB3 H 1 1.580 . . . . . . . . . . . 5255 1 110 . 1 1 21 21 LYS HE2 H 1 3.109 . . . . . . . . . . . 5255 1 111 . 1 1 21 21 LYS HG3 H 1 1.741 . . . . . . . . . . . 5255 1 112 . 1 1 21 21 LYS HG2 H 1 1.424 . . . . . . . . . . . 5255 1 113 . 1 1 21 21 LYS HD3 H 1 1.857 . . . . . . . . . . . 5255 1 114 . 1 1 21 21 LYS HE3 H 1 3.160 . . . . . . . . . . . 5255 1 115 . 1 1 22 22 GLN H H 1 8.458 . . . . . . . . . . . 5255 1 116 . 1 1 22 22 GLN HA H 1 4.366 . . . . . . . . . . . 5255 1 117 . 1 1 22 22 GLN HB3 H 1 2.050 . . . . . . . . . . . 5255 1 118 . 1 1 22 22 GLN HB2 H 1 2.223 . . . . . . . . . . . 5255 1 119 . 1 1 22 22 GLN HG2 H 1 2.528 . . . . . . . . . . . 5255 1 120 . 1 1 22 22 GLN HE22 H 1 7.644 . . . . . . . . . . . 5255 1 121 . 1 1 22 22 GLN HE21 H 1 7.219 . . . . . . . . . . . 5255 1 122 . 1 1 23 23 ASN H H 1 7.583 . . . . . . . . . . . 5255 1 123 . 1 1 23 23 ASN HA H 1 4.597 . . . . . . . . . . . 5255 1 124 . 1 1 23 23 ASN HB2 H 1 2.455 . . . . . . . . . . . 5255 1 125 . 1 1 23 23 ASN HB3 H 1 2.875 . . . . . . . . . . . 5255 1 126 . 1 1 23 23 ASN HD22 H 1 8.170 . . . . . . . . . . . 5255 1 127 . 1 1 23 23 ASN HD21 H 1 7.288 . . . . . . . . . . . 5255 1 128 . 1 1 24 24 TRP H H 1 8.316 . . . . . . . . . . . 5255 1 129 . 1 1 24 24 TRP HA H 1 4.879 . . . . . . . . . . . 5255 1 130 . 1 1 24 24 TRP HB2 H 1 3.241 . . . . . . . . . . . 5255 1 131 . 1 1 24 24 TRP HB3 H 1 3.323 . . . . . . . . . . . 5255 1 132 . 1 1 24 24 TRP HD1 H 1 7.535 . . . . . . . . . . . 5255 1 133 . 1 1 24 24 TRP HE1 H 1 10.029 . . . . . . . . . . . 5255 1 134 . 1 1 24 24 TRP HZ2 H 1 7.467 . . . . . . . . . . . 5255 1 135 . 1 1 24 24 TRP HH2 H 1 7.152 . . . . . . . . . . . 5255 1 136 . 1 1 24 24 TRP HZ3 H 1 6.876 . . . . . . . . . . . 5255 1 137 . 1 1 24 24 TRP HE3 H 1 7.649 . . . . . . . . . . . 5255 1 138 . 1 1 25 25 ASN H H 1 9.532 . . . . . . . . . . . 5255 1 139 . 1 1 25 25 ASN HA H 1 4.507 . . . . . . . . . . . 5255 1 140 . 1 1 25 25 ASN HB2 H 1 2.825 . . . . . . . . . . . 5255 1 141 . 1 1 25 25 ASN HB3 H 1 3.066 . . . . . . . . . . . 5255 1 142 . 1 1 25 25 ASN HD22 H 1 7.557 . . . . . . . . . . . 5255 1 143 . 1 1 25 25 ASN HD21 H 1 6.905 . . . . . . . . . . . 5255 1 144 . 1 1 26 26 THR H H 1 7.106 . . . . . . . . . . . 5255 1 145 . 1 1 26 26 THR HA H 1 4.396 . . . . . . . . . . . 5255 1 146 . 1 1 26 26 THR HB H 1 3.856 . . . . . . . . . . . 5255 1 147 . 1 1 26 26 THR HG21 H 1 0.970 . . . . . . . . . . . 5255 1 148 . 1 1 26 26 THR HG22 H 1 0.970 . . . . . . . . . . . 5255 1 149 . 1 1 26 26 THR HG23 H 1 0.970 . . . . . . . . . . . 5255 1 150 . 1 1 27 27 CYS H H 1 7.969 . . . . . . . . . . . 5255 1 151 . 1 1 27 27 CYS HA H 1 4.635 . . . . . . . . . . . 5255 1 152 . 1 1 27 27 CYS HB2 H 1 2.597 . . . . . . . . . . . 5255 1 153 . 1 1 27 27 CYS HB3 H 1 2.849 . . . . . . . . . . . 5255 1 154 . 1 1 28 28 VAL H H 1 9.285 . . . . . . . . . . . 5255 1 155 . 1 1 28 28 VAL HA H 1 4.118 . . . . . . . . . . . 5255 1 156 . 1 1 28 28 VAL HB H 1 1.416 . . . . . . . . . . . 5255 1 157 . 1 1 28 28 VAL HG11 H 1 1.076 . . . . . . . . . . . 5255 1 158 . 1 1 28 28 VAL HG12 H 1 1.076 . . . . . . . . . . . 5255 1 159 . 1 1 28 28 VAL HG13 H 1 1.076 . . . . . . . . . . . 5255 1 160 . 1 1 28 28 VAL HG21 H 1 0.641 . . . . . . . . . . . 5255 1 161 . 1 1 28 28 VAL HG22 H 1 0.641 . . . . . . . . . . . 5255 1 162 . 1 1 28 28 VAL HG23 H 1 0.641 . . . . . . . . . . . 5255 1 163 . 1 1 29 29 GLY H H 1 8.564 . . . . . . . . . . . 5255 1 164 . 1 1 29 29 GLY HA3 H 1 3.797 . . . . . . . . . . . 5255 1 165 . 1 1 29 29 GLY HA2 H 1 4.487 . . . . . . . . . . . 5255 1 166 . 1 1 30 30 ILE H H 1 7.849 . . . . . . . . . . . 5255 1 167 . 1 1 30 30 ILE HA H 1 4.214 . . . . . . . . . . . 5255 1 168 . 1 1 30 30 ILE HB H 1 1.290 . . . . . . . . . . . 5255 1 169 . 1 1 30 30 ILE HG21 H 1 0.956 . . . . . . . . . . . 5255 1 170 . 1 1 30 30 ILE HG22 H 1 0.956 . . . . . . . . . . . 5255 1 171 . 1 1 30 30 ILE HG23 H 1 0.956 . . . . . . . . . . . 5255 1 172 . 1 1 30 30 ILE HD11 H 1 0.729 . . . . . . . . . . . 5255 1 173 . 1 1 30 30 ILE HD12 H 1 0.729 . . . . . . . . . . . 5255 1 174 . 1 1 30 30 ILE HD13 H 1 0.729 . . . . . . . . . . . 5255 1 175 . 1 1 30 30 ILE HG12 H 1 0.939 . . . . . . . . . . . 5255 1 176 . 1 1 30 30 ILE HG13 H 1 1.664 . . . . . . . . . . . 5255 1 177 . 1 1 31 31 GLY H H 1 8.789 . . . . . . . . . . . 5255 1 178 . 1 1 31 31 GLY HA2 H 1 3.767 . . . . . . . . . . . 5255 1 179 . 1 1 31 31 GLY HA3 H 1 4.256 . . . . . . . . . . . 5255 1 180 . 1 1 32 32 ALA H H 1 8.094 . . . . . . . . . . . 5255 1 181 . 1 1 32 32 ALA HA H 1 4.234 . . . . . . . . . . . 5255 1 182 . 1 1 32 32 ALA HB1 H 1 1.406 . . . . . . . . . . . 5255 1 183 . 1 1 32 32 ALA HB2 H 1 1.406 . . . . . . . . . . . 5255 1 184 . 1 1 32 32 ALA HB3 H 1 1.406 . . . . . . . . . . . 5255 1 185 . 1 1 33 33 ASN H H 1 8.672 . . . . . . . . . . . 5255 1 186 . 1 1 33 33 ASN HA H 1 4.300 . . . . . . . . . . . 5255 1 187 . 1 1 33 33 ASN HB3 H 1 2.968 . . . . . . . . . . . 5255 1 188 . 1 1 33 33 ASN HB2 H 1 3.079 . . . . . . . . . . . 5255 1 189 . 1 1 33 33 ASN HD22 H 1 7.590 . . . . . . . . . . . 5255 1 190 . 1 1 33 33 ASN HD21 H 1 7.029 . . . . . . . . . . . 5255 1 191 . 1 1 34 34 VAL H H 1 7.154 . . . . . . . . . . . 5255 1 192 . 1 1 34 34 VAL HA H 1 3.612 . . . . . . . . . . . 5255 1 193 . 1 1 34 34 VAL HB H 1 1.833 . . . . . . . . . . . 5255 1 194 . 1 1 34 34 VAL HG21 H 1 0.701 . . . . . . . . . . . 5255 1 195 . 1 1 34 34 VAL HG22 H 1 0.701 . . . . . . . . . . . 5255 1 196 . 1 1 34 34 VAL HG23 H 1 0.701 . . . . . . . . . . . 5255 1 197 . 1 1 34 34 VAL HG11 H 1 0.694 . . . . . . . . . . . 5255 1 198 . 1 1 34 34 VAL HG12 H 1 0.694 . . . . . . . . . . . 5255 1 199 . 1 1 34 34 VAL HG13 H 1 0.694 . . . . . . . . . . . 5255 1 200 . 1 1 35 35 HIS H H 1 7.273 . . . . . . . . . . . 5255 1 201 . 1 1 35 35 HIS HA H 1 4.669 . . . . . . . . . . . 5255 1 202 . 1 1 35 35 HIS HB2 H 1 2.638 . . . . . . . . . . . 5255 1 203 . 1 1 35 35 HIS HB3 H 1 2.947 . . . . . . . . . . . 5255 1 204 . 1 1 35 35 HIS HE1 H 1 8.384 . . . . . . . . . . . 5255 1 205 . 1 1 35 35 HIS HD2 H 1 7.072 . . . . . . . . . . . 5255 1 206 . 1 1 36 36 TRP H H 1 7.876 . . . . . . . . . . . 5255 1 207 . 1 1 36 36 TRP HA H 1 5.097 . . . . . . . . . . . 5255 1 208 . 1 1 36 36 TRP HB2 H 1 2.363 . . . . . . . . . . . 5255 1 209 . 1 1 36 36 TRP HB3 H 1 2.878 . . . . . . . . . . . 5255 1 210 . 1 1 36 36 TRP HD1 H 1 6.650 . . . . . . . . . . . 5255 1 211 . 1 1 36 36 TRP HE1 H 1 9.917 . . . . . . . . . . . 5255 1 212 . 1 1 36 36 TRP HZ2 H 1 7.424 . . . . . . . . . . . 5255 1 213 . 1 1 36 36 TRP HH2 H 1 7.173 . . . . . . . . . . . 5255 1 214 . 1 1 36 36 TRP HZ3 H 1 7.033 . . . . . . . . . . . 5255 1 215 . 1 1 36 36 TRP HE3 H 1 7.372 . . . . . . . . . . . 5255 1 216 . 1 1 37 37 MET H H 1 9.230 . . . . . . . . . . . 5255 1 217 . 1 1 37 37 MET HA H 1 5.080 . . . . . . . . . . . 5255 1 218 . 1 1 37 37 MET HB2 H 1 1.699 . . . . . . . . . . . 5255 1 219 . 1 1 37 37 MET HB3 H 1 1.888 . . . . . . . . . . . 5255 1 220 . 1 1 37 37 MET HG2 H 1 1.973 . . . . . . . . . . . 5255 1 221 . 1 1 37 37 MET HG3 H 1 2.254 . . . . . . . . . . . 5255 1 222 . 1 1 38 38 VAL H H 1 9.215 . . . . . . . . . . . 5255 1 223 . 1 1 38 38 VAL HA H 1 4.896 . . . . . . . . . . . 5255 1 224 . 1 1 38 38 VAL HB H 1 1.860 . . . . . . . . . . . 5255 1 225 . 1 1 38 38 VAL HG11 H 1 0.896 . . . . . . . . . . . 5255 1 226 . 1 1 38 38 VAL HG12 H 1 0.896 . . . . . . . . . . . 5255 1 227 . 1 1 38 38 VAL HG13 H 1 0.896 . . . . . . . . . . . 5255 1 228 . 1 1 38 38 VAL HG21 H 1 0.911 . . . . . . . . . . . 5255 1 229 . 1 1 38 38 VAL HG22 H 1 0.911 . . . . . . . . . . . 5255 1 230 . 1 1 38 38 VAL HG23 H 1 0.911 . . . . . . . . . . . 5255 1 231 . 1 1 39 39 THR H H 1 8.608 . . . . . . . . . . . 5255 1 232 . 1 1 39 39 THR HA H 1 5.103 . . . . . . . . . . . 5255 1 233 . 1 1 39 39 THR HB H 1 4.332 . . . . . . . . . . . 5255 1 234 . 1 1 39 39 THR HG21 H 1 1.015 . . . . . . . . . . . 5255 1 235 . 1 1 39 39 THR HG22 H 1 1.015 . . . . . . . . . . . 5255 1 236 . 1 1 39 39 THR HG23 H 1 1.015 . . . . . . . . . . . 5255 1 237 . 1 1 40 40 GLY H H 1 6.743 . . . . . . . . . . . 5255 1 238 . 1 1 40 40 GLY HA2 H 1 3.383 . . . . . . . . . . . 5255 1 239 . 1 1 40 40 GLY HA3 H 1 4.329 . . . . . . . . . . . 5255 1 240 . 1 1 41 41 GLY H H 1 8.388 . . . . . . . . . . . 5255 1 241 . 1 1 41 41 GLY HA2 H 1 3.928 . . . . . . . . . . . 5255 1 242 . 1 1 41 41 GLY HA3 H 1 4.008 . . . . . . . . . . . 5255 1 243 . 1 1 42 42 SER H H 1 8.104 . . . . . . . . . . . 5255 1 244 . 1 1 42 42 SER HA H 1 4.557 . . . . . . . . . . . 5255 1 245 . 1 1 42 42 SER HB2 H 1 3.724 . . . . . . . . . . . 5255 1 246 . 1 1 42 42 SER HB3 H 1 4.079 . . . . . . . . . . . 5255 1 247 . 1 1 43 43 THR H H 1 9.939 . . . . . . . . . . . 5255 1 248 . 1 1 43 43 THR HA H 1 4.570 . . . . . . . . . . . 5255 1 249 . 1 1 43 43 THR HB H 1 4.362 . . . . . . . . . . . 5255 1 250 . 1 1 43 43 THR HG21 H 1 1.226 . . . . . . . . . . . 5255 1 251 . 1 1 43 43 THR HG22 H 1 1.226 . . . . . . . . . . . 5255 1 252 . 1 1 43 43 THR HG23 H 1 1.226 . . . . . . . . . . . 5255 1 253 . 1 1 44 44 ASP H H 1 8.166 . . . . . . . . . . . 5255 1 254 . 1 1 44 44 ASP HA H 1 4.581 . . . . . . . . . . . 5255 1 255 . 1 1 44 44 ASP HB2 H 1 2.656 . . . . . . . . . . . 5255 1 256 . 1 1 44 44 ASP HB3 H 1 2.914 . . . . . . . . . . . 5255 1 257 . 1 1 45 45 GLY H H 1 8.292 . . . . . . . . . . . 5255 1 258 . 1 1 45 45 GLY HA2 H 1 3.576 . . . . . . . . . . . 5255 1 259 . 1 1 45 45 GLY HA3 H 1 3.952 . . . . . . . . . . . 5255 1 260 . 1 1 46 46 LYS H H 1 8.103 . . . . . . . . . . . 5255 1 261 . 1 1 46 46 LYS HA H 1 4.400 . . . . . . . . . . . 5255 1 262 . 1 1 46 46 LYS HB2 H 1 1.840 . . . . . . . . . . . 5255 1 263 . 1 1 46 46 LYS HB3 H 1 2.007 . . . . . . . . . . . 5255 1 264 . 1 1 46 46 LYS HE2 H 1 3.044 . . . . . . . . . . . 5255 1 265 . 1 1 46 46 LYS HD2 H 1 1.705 . . . . . . . . . . . 5255 1 266 . 1 1 46 46 LYS HG2 H 1 1.360 . . . . . . . . . . . 5255 1 267 . 1 1 46 46 LYS HG3 H 1 1.438 . . . . . . . . . . . 5255 1 268 . 1 1 47 47 GLN H H 1 8.290 . . . . . . . . . . . 5255 1 269 . 1 1 47 47 GLN HA H 1 4.433 . . . . . . . . . . . 5255 1 270 . 1 1 47 47 GLN HB3 H 1 1.895 . . . . . . . . . . . 5255 1 271 . 1 1 47 47 GLN HB2 H 1 1.882 . . . . . . . . . . . 5255 1 272 . 1 1 47 47 GLN HG3 H 1 2.086 . . . . . . . . . . . 5255 1 273 . 1 1 47 47 GLN HE22 H 1 7.592 . . . . . . . . . . . 5255 1 274 . 1 1 47 47 GLN HE21 H 1 6.453 . . . . . . . . . . . 5255 1 275 . 1 1 47 47 GLN HG2 H 1 2.399 . . . . . . . . . . . 5255 1 276 . 1 1 48 48 GLY H H 1 8.400 . . . . . . . . . . . 5255 1 277 . 1 1 48 48 GLY HA3 H 1 3.386 . . . . . . . . . . . 5255 1 278 . 1 1 48 48 GLY HA2 H 1 4.804 . . . . . . . . . . . 5255 1 279 . 1 1 49 49 CYS H H 1 9.127 . . . . . . . . . . . 5255 1 280 . 1 1 49 49 CYS HA H 1 5.682 . . . . . . . . . . . 5255 1 281 . 1 1 49 49 CYS HB3 H 1 2.465 . . . . . . . . . . . 5255 1 282 . 1 1 49 49 CYS HB2 H 1 2.907 . . . . . . . . . . . 5255 1 283 . 1 1 50 50 ALA H H 1 9.301 . . . . . . . . . . . 5255 1 284 . 1 1 50 50 ALA HA H 1 5.217 . . . . . . . . . . . 5255 1 285 . 1 1 50 50 ALA HB1 H 1 1.250 . . . . . . . . . . . 5255 1 286 . 1 1 50 50 ALA HB2 H 1 1.250 . . . . . . . . . . . 5255 1 287 . 1 1 50 50 ALA HB3 H 1 1.250 . . . . . . . . . . . 5255 1 288 . 1 1 51 51 THR H H 1 8.868 . . . . . . . . . . . 5255 1 289 . 1 1 51 51 THR HA H 1 4.689 . . . . . . . . . . . 5255 1 290 . 1 1 51 51 THR HB H 1 3.384 . . . . . . . . . . . 5255 1 291 . 1 1 52 52 ILE H H 1 8.691 . . . . . . . . . . . 5255 1 292 . 1 1 52 52 ILE HA H 1 4.886 . . . . . . . . . . . 5255 1 293 . 1 1 52 52 ILE HB H 1 1.494 . . . . . . . . . . . 5255 1 294 . 1 1 52 52 ILE HG12 H 1 0.727 . . . . . . . . . . . 5255 1 295 . 1 1 52 52 ILE HD11 H 1 0.571 . . . . . . . . . . . 5255 1 296 . 1 1 52 52 ILE HD12 H 1 0.571 . . . . . . . . . . . 5255 1 297 . 1 1 52 52 ILE HD13 H 1 0.571 . . . . . . . . . . . 5255 1 298 . 1 1 52 52 ILE HG21 H 1 1.000 . . . . . . . . . . . 5255 1 299 . 1 1 52 52 ILE HG22 H 1 1.000 . . . . . . . . . . . 5255 1 300 . 1 1 52 52 ILE HG23 H 1 1.000 . . . . . . . . . . . 5255 1 301 . 1 1 53 53 TRP H H 1 9.603 . . . . . . . . . . . 5255 1 302 . 1 1 53 53 TRP HA H 1 5.450 . . . . . . . . . . . 5255 1 303 . 1 1 53 53 TRP HB2 H 1 3.284 . . . . . . . . . . . 5255 1 304 . 1 1 53 53 TRP HD1 H 1 6.759 . . . . . . . . . . . 5255 1 305 . 1 1 53 53 TRP HE1 H 1 9.615 . . . . . . . . . . . 5255 1 306 . 1 1 53 53 TRP HZ2 H 1 7.329 . . . . . . . . . . . 5255 1 307 . 1 1 53 53 TRP HZ3 H 1 6.969 . . . . . . . . . . . 5255 1 308 . 1 1 53 53 TRP HE3 H 1 7.392 . . . . . . . . . . . 5255 1 309 . 1 1 53 53 TRP HH2 H 1 6.876 . . . . . . . . . . . 5255 1 310 . 1 1 54 54 GLU H H 1 8.685 . . . . . . . . . . . 5255 1 311 . 1 1 54 54 GLU HA H 1 5.044 . . . . . . . . . . . 5255 1 312 . 1 1 54 54 GLU HB2 H 1 1.436 . . . . . . . . . . . 5255 1 313 . 1 1 54 54 GLU HB3 H 1 1.807 . . . . . . . . . . . 5255 1 314 . 1 1 54 54 GLU HG2 H 1 2.332 . . . . . . . . . . . 5255 1 315 . 1 1 54 54 GLU HG3 H 1 2.794 . . . . . . . . . . . 5255 1 316 . 1 1 55 55 GLY H H 1 7.894 . . . . . . . . . . . 5255 1 317 . 1 1 55 55 GLY HA2 H 1 3.585 . . . . . . . . . . . 5255 1 318 . 1 1 55 55 GLY HA3 H 1 4.458 . . . . . . . . . . . 5255 1 319 . 1 1 56 56 SER H H 1 8.403 . . . . . . . . . . . 5255 1 320 . 1 1 56 56 SER HA H 1 4.036 . . . . . . . . . . . 5255 1 321 . 1 1 56 56 SER HB2 H 1 3.788 . . . . . . . . . . . 5255 1 322 . 1 1 56 56 SER HB3 H 1 3.851 . . . . . . . . . . . 5255 1 323 . 1 1 57 57 GLY H H 1 8.984 . . . . . . . . . . . 5255 1 324 . 1 1 57 57 GLY HA2 H 1 3.532 . . . . . . . . . . . 5255 1 325 . 1 1 57 57 GLY HA3 H 1 3.631 . . . . . . . . . . . 5255 1 326 . 1 1 58 58 CYS H H 1 8.347 . . . . . . . . . . . 5255 1 327 . 1 1 58 58 CYS HA H 1 2.874 . . . . . . . . . . . 5255 1 328 . 1 1 58 58 CYS HB2 H 1 0.206 . . . . . . . . . . . 5255 1 329 . 1 1 58 58 CYS HB3 H 1 2.419 . . . . . . . . . . . 5255 1 330 . 1 1 59 59 VAL H H 1 5.810 . . . . . . . . . . . 5255 1 331 . 1 1 59 59 VAL HA H 1 4.170 . . . . . . . . . . . 5255 1 332 . 1 1 59 59 VAL HB H 1 1.940 . . . . . . . . . . . 5255 1 333 . 1 1 59 59 VAL HG11 H 1 0.675 . . . . . . . . . . . 5255 1 334 . 1 1 59 59 VAL HG12 H 1 0.675 . . . . . . . . . . . 5255 1 335 . 1 1 59 59 VAL HG13 H 1 0.675 . . . . . . . . . . . 5255 1 336 . 1 1 60 60 GLY H H 1 8.161 . . . . . . . . . . . 5255 1 337 . 1 1 60 60 GLY HA2 H 1 3.675 . . . . . . . . . . . 5255 1 338 . 1 1 60 60 GLY HA3 H 1 4.460 . . . . . . . . . . . 5255 1 339 . 1 1 61 61 ARG H H 1 8.487 . . . . . . . . . . . 5255 1 340 . 1 1 61 61 ARG HA H 1 3.976 . . . . . . . . . . . 5255 1 341 . 1 1 61 61 ARG HB2 H 1 1.303 . . . . . . . . . . . 5255 1 342 . 1 1 61 61 ARG HB3 H 1 1.383 . . . . . . . . . . . 5255 1 343 . 1 1 61 61 ARG HD2 H 1 2.887 . . . . . . . . . . . 5255 1 344 . 1 1 61 61 ARG HG2 H 1 1.197 . . . . . . . . . . . 5255 1 345 . 1 1 61 61 ARG HG3 H 1 1.497 . . . . . . . . . . . 5255 1 346 . 1 1 61 61 ARG HE H 1 7.186 . . . . . . . . . . . 5255 1 347 . 1 1 61 61 ARG HD3 H 1 2.953 . . . . . . . . . . . 5255 1 348 . 1 1 62 62 SER H H 1 7.830 . . . . . . . . . . . 5255 1 349 . 1 1 62 62 SER HA H 1 5.612 . . . . . . . . . . . 5255 1 350 . 1 1 62 62 SER HB2 H 1 2.641 . . . . . . . . . . . 5255 1 351 . 1 1 62 62 SER HB3 H 1 2.793 . . . . . . . . . . . 5255 1 352 . 1 1 63 63 THR H H 1 8.494 . . . . . . . . . . . 5255 1 353 . 1 1 63 63 THR HA H 1 4.528 . . . . . . . . . . . 5255 1 354 . 1 1 63 63 THR HB H 1 4.087 . . . . . . . . . . . 5255 1 355 . 1 1 63 63 THR HG21 H 1 0.999 . . . . . . . . . . . 5255 1 356 . 1 1 63 63 THR HG22 H 1 0.999 . . . . . . . . . . . 5255 1 357 . 1 1 63 63 THR HG23 H 1 0.999 . . . . . . . . . . . 5255 1 358 . 1 1 64 64 THR H H 1 8.281 . . . . . . . . . . . 5255 1 359 . 1 1 64 64 THR HA H 1 5.136 . . . . . . . . . . . 5255 1 360 . 1 1 64 64 THR HB H 1 3.881 . . . . . . . . . . . 5255 1 361 . 1 1 64 64 THR HG21 H 1 0.939 . . . . . . . . . . . 5255 1 362 . 1 1 64 64 THR HG22 H 1 0.939 . . . . . . . . . . . 5255 1 363 . 1 1 64 64 THR HG23 H 1 0.939 . . . . . . . . . . . 5255 1 364 . 1 1 65 65 MET H H 1 9.030 . . . . . . . . . . . 5255 1 365 . 1 1 65 65 MET HA H 1 4.876 . . . . . . . . . . . 5255 1 366 . 1 1 65 65 MET HB2 H 1 1.720 . . . . . . . . . . . 5255 1 367 . 1 1 65 65 MET HB3 H 1 1.816 . . . . . . . . . . . 5255 1 368 . 1 1 65 65 MET HG2 H 1 2.226 . . . . . . . . . . . 5255 1 369 . 1 1 65 65 MET HG3 H 1 2.496 . . . . . . . . . . . 5255 1 370 . 1 1 66 66 CYS H H 1 8.742 . . . . . . . . . . . 5255 1 371 . 1 1 66 66 CYS HA H 1 5.512 . . . . . . . . . . . 5255 1 372 . 1 1 66 66 CYS HB3 H 1 2.593 . . . . . . . . . . . 5255 1 373 . 1 1 66 66 CYS HB2 H 1 2.747 . . . . . . . . . . . 5255 1 374 . 1 1 67 67 CYS H H 1 9.342 . . . . . . . . . . . 5255 1 375 . 1 1 67 67 CYS HA H 1 5.276 . . . . . . . . . . . 5255 1 376 . 1 1 67 67 CYS HB3 H 1 2.700 . . . . . . . . . . . 5255 1 377 . 1 1 67 67 CYS HB2 H 1 2.795 . . . . . . . . . . . 5255 1 378 . 1 1 68 68 PRO HA H 1 4.231 . . . . . . . . . . . 5255 1 379 . 1 1 68 68 PRO HB2 H 1 1.881 . . . . . . . . . . . 5255 1 380 . 1 1 68 68 PRO HB3 H 1 2.329 . . . . . . . . . . . 5255 1 381 . 1 1 68 68 PRO HG2 H 1 1.909 . . . . . . . . . . . 5255 1 382 . 1 1 68 68 PRO HG3 H 1 2.002 . . . . . . . . . . . 5255 1 383 . 1 1 68 68 PRO HD2 H 1 3.425 . . . . . . . . . . . 5255 1 384 . 1 1 68 68 PRO HD3 H 1 3.860 . . . . . . . . . . . 5255 1 385 . 1 1 69 69 ALA H H 1 8.170 . . . . . . . . . . . 5255 1 386 . 1 1 69 69 ALA HA H 1 3.992 . . . . . . . . . . . 5255 1 387 . 1 1 69 69 ALA HB1 H 1 1.071 . . . . . . . . . . . 5255 1 388 . 1 1 69 69 ALA HB2 H 1 1.071 . . . . . . . . . . . 5255 1 389 . 1 1 69 69 ALA HB3 H 1 1.071 . . . . . . . . . . . 5255 1 390 . 1 1 70 70 ASN H H 1 7.893 . . . . . . . . . . . 5255 1 391 . 1 1 70 70 ASN HA H 1 4.477 . . . . . . . . . . . 5255 1 392 . 1 1 70 70 ASN HB2 H 1 2.838 . . . . . . . . . . . 5255 1 393 . 1 1 70 70 ASN HB3 H 1 2.918 . . . . . . . . . . . 5255 1 394 . 1 1 70 70 ASN HD22 H 1 7.477 . . . . . . . . . . . 5255 1 395 . 1 1 70 70 ASN HD21 H 1 6.841 . . . . . . . . . . . 5255 1 396 . 1 1 71 71 THR H H 1 8.006 . . . . . . . . . . . 5255 1 397 . 1 1 71 71 THR HA H 1 4.594 . . . . . . . . . . . 5255 1 398 . 1 1 71 71 THR HB H 1 4.077 . . . . . . . . . . . 5255 1 399 . 1 1 71 71 THR HG21 H 1 1.149 . . . . . . . . . . . 5255 1 400 . 1 1 71 71 THR HG22 H 1 1.149 . . . . . . . . . . . 5255 1 401 . 1 1 71 71 THR HG23 H 1 1.149 . . . . . . . . . . . 5255 1 402 . 1 1 72 72 CYS H H 1 8.162 . . . . . . . . . . . 5255 1 403 . 1 1 72 72 CYS HA H 1 5.351 . . . . . . . . . . . 5255 1 404 . 1 1 72 72 CYS HB3 H 1 2.981 . . . . . . . . . . . 5255 1 405 . 1 1 72 72 CYS HB2 H 1 3.517 . . . . . . . . . . . 5255 1 406 . 1 1 73 73 CYS H H 1 10.048 . . . . . . . . . . . 5255 1 407 . 1 1 73 73 CYS HA H 1 5.089 . . . . . . . . . . . 5255 1 408 . 1 1 73 73 CYS HB2 H 1 2.791 . . . . . . . . . . . 5255 1 409 . 1 1 73 73 CYS HB3 H 1 3.341 . . . . . . . . . . . 5255 1 410 . 1 1 74 74 ASN H H 1 8.937 . . . . . . . . . . . 5255 1 411 . 1 1 74 74 ASN HA H 1 3.842 . . . . . . . . . . . 5255 1 412 . 1 1 74 74 ASN HB2 H 1 2.283 . . . . . . . . . . . 5255 1 413 . 1 1 74 74 ASN HD21 H 1 6.403 . . . . . . . . . . . 5255 1 414 . 1 1 75 75 ILE H H 1 7.998 . . . . . . . . . . . 5255 1 415 . 1 1 75 75 ILE HA H 1 3.615 . . . . . . . . . . . 5255 1 416 . 1 1 75 75 ILE HB H 1 1.338 . . . . . . . . . . . 5255 1 417 . 1 1 75 75 ILE HG21 H 1 0.651 . . . . . . . . . . . 5255 1 418 . 1 1 75 75 ILE HG22 H 1 0.651 . . . . . . . . . . . 5255 1 419 . 1 1 75 75 ILE HG23 H 1 0.651 . . . . . . . . . . . 5255 1 420 . 1 1 75 75 ILE HD11 H 1 0.456 . . . . . . . . . . . 5255 1 421 . 1 1 75 75 ILE HD12 H 1 0.456 . . . . . . . . . . . 5255 1 422 . 1 1 75 75 ILE HD13 H 1 0.456 . . . . . . . . . . . 5255 1 423 . 1 1 75 75 ILE HG12 H 1 0.614 . . . . . . . . . . . 5255 1 424 . 1 1 75 75 ILE HG13 H 1 1.285 . . . . . . . . . . . 5255 1 425 . 1 1 76 76 ASN H H 1 8.297 . . . . . . . . . . . 5255 1 426 . 1 1 76 76 ASN HA H 1 4.634 . . . . . . . . . . . 5255 1 427 . 1 1 76 76 ASN HB2 H 1 2.414 . . . . . . . . . . . 5255 1 428 . 1 1 76 76 ASN HB3 H 1 2.686 . . . . . . . . . . . 5255 1 429 . 1 1 76 76 ASN HD22 H 1 7.348 . . . . . . . . . . . 5255 1 430 . 1 1 76 76 ASN HD21 H 1 6.611 . . . . . . . . . . . 5255 1 431 . 1 1 77 77 THR H H 1 8.368 . . . . . . . . . . . 5255 1 432 . 1 1 77 77 THR HA H 1 3.989 . . . . . . . . . . . 5255 1 433 . 1 1 77 77 THR HB H 1 3.388 . . . . . . . . . . . 5255 1 434 . 1 1 77 77 THR HG21 H 1 0.573 . . . . . . . . . . . 5255 1 435 . 1 1 77 77 THR HG22 H 1 0.573 . . . . . . . . . . . 5255 1 436 . 1 1 77 77 THR HG23 H 1 0.573 . . . . . . . . . . . 5255 1 437 . 1 1 78 78 GLY H H 1 7.954 . . . . . . . . . . . 5255 1 438 . 1 1 78 78 GLY HA2 H 1 3.638 . . . . . . . . . . . 5255 1 439 . 1 1 78 78 GLY HA3 H 1 4.190 . . . . . . . . . . . 5255 1 440 . 1 1 79 79 PHE H H 1 7.284 . . . . . . . . . . . 5255 1 441 . 1 1 79 79 PHE HA H 1 4.874 . . . . . . . . . . . 5255 1 442 . 1 1 79 79 PHE HB3 H 1 2.877 . . . . . . . . . . . 5255 1 443 . 1 1 79 79 PHE HB2 H 1 3.180 . . . . . . . . . . . 5255 1 444 . 1 1 79 79 PHE HD1 H 1 6.955 . . . . . . . . . . . 5255 1 445 . 1 1 79 79 PHE HE1 H 1 7.092 . . . . . . . . . . . 5255 1 446 . 1 1 80 80 TYR H H 1 8.855 . . . . . . . . . . . 5255 1 447 . 1 1 80 80 TYR HA H 1 4.304 . . . . . . . . . . . 5255 1 448 . 1 1 80 80 TYR HB2 H 1 2.947 . . . . . . . . . . . 5255 1 449 . 1 1 80 80 TYR HB3 H 1 3.241 . . . . . . . . . . . 5255 1 450 . 1 1 80 80 TYR HD1 H 1 7.128 . . . . . . . . . . . 5255 1 451 . 1 1 80 80 TYR HE1 H 1 6.882 . . . . . . . . . . . 5255 1 452 . 1 1 81 81 ILE H H 1 7.318 . . . . . . . . . . . 5255 1 453 . 1 1 81 81 ILE HA H 1 4.485 . . . . . . . . . . . 5255 1 454 . 1 1 81 81 ILE HB H 1 1.665 . . . . . . . . . . . 5255 1 455 . 1 1 81 81 ILE HG12 H 1 1.073 . . . . . . . . . . . 5255 1 456 . 1 1 81 81 ILE HG13 H 1 1.479 . . . . . . . . . . . 5255 1 457 . 1 1 81 81 ILE HD11 H 1 0.663 . . . . . . . . . . . 5255 1 458 . 1 1 81 81 ILE HD12 H 1 0.663 . . . . . . . . . . . 5255 1 459 . 1 1 81 81 ILE HD13 H 1 0.663 . . . . . . . . . . . 5255 1 460 . 1 1 81 81 ILE HG21 H 1 0.719 . . . . . . . . . . . 5255 1 461 . 1 1 81 81 ILE HG22 H 1 0.719 . . . . . . . . . . . 5255 1 462 . 1 1 81 81 ILE HG23 H 1 0.719 . . . . . . . . . . . 5255 1 463 . 1 1 82 82 ARG H H 1 8.582 . . . . . . . . . . . 5255 1 464 . 1 1 82 82 ARG HA H 1 4.969 . . . . . . . . . . . 5255 1 465 . 1 1 82 82 ARG HB2 H 1 1.466 . . . . . . . . . . . 5255 1 466 . 1 1 82 82 ARG HD2 H 1 3.255 . . . . . . . . . . . 5255 1 467 . 1 1 82 82 ARG HG2 H 1 1.750 . . . . . . . . . . . 5255 1 468 . 1 1 82 82 ARG HG3 H 1 2.096 . . . . . . . . . . . 5255 1 469 . 1 1 82 82 ARG HD3 H 1 3.626 . . . . . . . . . . . 5255 1 470 . 1 1 82 82 ARG HE H 1 7.293 . . . . . . . . . . . 5255 1 471 . 1 1 83 83 SER H H 1 8.480 . . . . . . . . . . . 5255 1 472 . 1 1 83 83 SER HA H 1 5.732 . . . . . . . . . . . 5255 1 473 . 1 1 83 83 SER HB2 H 1 4.054 . . . . . . . . . . . 5255 1 474 . 1 1 83 83 SER HB3 H 1 4.500 . . . . . . . . . . . 5255 1 475 . 1 1 83 83 SER HG H 1 5.077 . . . . . . . . . . . 5255 1 476 . 1 1 84 84 TYR H H 1 9.858 . . . . . . . . . . . 5255 1 477 . 1 1 84 84 TYR HA H 1 6.307 . . . . . . . . . . . 5255 1 478 . 1 1 84 84 TYR HB2 H 1 3.120 . . . . . . . . . . . 5255 1 479 . 1 1 84 84 TYR HB3 H 1 3.179 . . . . . . . . . . . 5255 1 480 . 1 1 84 84 TYR HE1 H 1 6.584 . . . . . . . . . . . 5255 1 481 . 1 1 84 84 TYR HD1 H 1 6.782 . . . . . . . . . . . 5255 1 482 . 1 1 84 84 TYR HH H 1 11.178 . . . . . . . . . . . 5255 1 483 . 1 1 85 85 ARG H H 1 8.877 . . . . . . . . . . . 5255 1 484 . 1 1 85 85 ARG HA H 1 4.591 . . . . . . . . . . . 5255 1 485 . 1 1 85 85 ARG HB2 H 1 1.929 . . . . . . . . . . . 5255 1 486 . 1 1 85 85 ARG HB3 H 1 2.064 . . . . . . . . . . . 5255 1 487 . 1 1 85 85 ARG HD2 H 1 3.183 . . . . . . . . . . . 5255 1 488 . 1 1 85 85 ARG HG2 H 1 1.771 . . . . . . . . . . . 5255 1 489 . 1 1 85 85 ARG HD3 H 1 3.267 . . . . . . . . . . . 5255 1 490 . 1 1 85 85 ARG HE H 1 7.124 . . . . . . . . . . . 5255 1 491 . 1 1 86 86 ARG H H 1 8.879 . . . . . . . . . . . 5255 1 492 . 1 1 86 86 ARG HA H 1 4.339 . . . . . . . . . . . 5255 1 493 . 1 1 86 86 ARG HB2 H 1 1.094 . . . . . . . . . . . 5255 1 494 . 1 1 86 86 ARG HD2 H 1 1.726 . . . . . . . . . . . 5255 1 495 . 1 1 86 86 ARG HE H 1 8.131 . . . . . . . . . . . 5255 1 496 . 1 1 86 86 ARG HD3 H 1 2.633 . . . . . . . . . . . 5255 1 497 . 1 1 86 86 ARG HG2 H 1 0.391 . . . . . . . . . . . 5255 1 498 . 1 1 86 86 ARG HG3 H 1 1.571 . . . . . . . . . . . 5255 1 499 . 1 1 87 87 VAL H H 1 8.388 . . . . . . . . . . . 5255 1 500 . 1 1 87 87 VAL HA H 1 4.732 . . . . . . . . . . . 5255 1 501 . 1 1 87 87 VAL HB H 1 2.301 . . . . . . . . . . . 5255 1 502 . 1 1 87 87 VAL HG21 H 1 0.668 . . . . . . . . . . . 5255 1 503 . 1 1 87 87 VAL HG22 H 1 0.668 . . . . . . . . . . . 5255 1 504 . 1 1 87 87 VAL HG23 H 1 0.668 . . . . . . . . . . . 5255 1 505 . 1 1 87 87 VAL HG11 H 1 0.967 . . . . . . . . . . . 5255 1 506 . 1 1 87 87 VAL HG12 H 1 0.967 . . . . . . . . . . . 5255 1 507 . 1 1 87 87 VAL HG13 H 1 0.967 . . . . . . . . . . . 5255 1 508 . 1 1 88 88 GLU H H 1 7.893 . . . . . . . . . . . 5255 1 509 . 1 1 88 88 GLU HA H 1 4.486 . . . . . . . . . . . 5255 1 510 . 1 1 88 88 GLU HB2 H 1 1.880 . . . . . . . . . . . 5255 1 511 . 1 1 88 88 GLU HG2 H 1 2.373 . . . . . . . . . . . 5255 1 512 . 1 1 88 88 GLU HG3 H 1 2.486 . . . . . . . . . . . 5255 1 stop_ save_