data_4144 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4144 _Entry.Title ; 1H, 13C, 15N Sequential Assignment of the RNA Polymerase 'H' Subunit from Methanococcus jannaschii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-05-26 _Entry.Accession_date 1998-05-26 _Entry.Last_release_date 1998-10-05 _Entry.Original_release_date 1998-10-05 _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 ; The data reported here represent subunit H (rpb5) from Methanococcus jannaschii ; _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 Meri Hodach . . . 4144 2 Jyrki Elorante . . . 4144 3 Vassiliki Kostourou . . . 4144 4 Robert Wienzierl . . . 4144 5 Stephen Matthews . . . 4144 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4144 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 219 4144 '15N chemical shifts' 68 4144 '1H chemical shifts' 151 4144 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 . . 1998-10-05 1998-05-26 original author . 4144 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4144 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Hodach, M., Elorante, J., Kostourou, V., Wienzierl, R., and Matthews, S., "1H, 13C, 15N Sequential Assignment of the RNA Polymerase 'H' Subunit from Methanococcus jannaschii," J. Biomol. NMR, submitted (1998). ; _Citation.Title ; 1H, 13C, 15N Sequential Assignment of the RNA Polymerase 'H' Subunit from Methanococcus jannaschii ; _Citation.Status submitted _Citation.Type journal _Citation.Journal_abbrev 'J Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 1998 _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 Meri Hodach . . . 4144 1 2 Jyrki Elorante . . . 4144 1 3 Vassiliki Kostourou . . . 4144 1 4 Robert Wienzierl . . . 4144 1 5 Stephen Matthews . . . 4144 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NMR 4144 1 'nuclear magnetic resonance' 4144 1 protein 4144 1 'resonance assignments' 4144 1 rpb5 4144 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_rpb5 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_rpb5 _Assembly.Entry_ID 4144 _Assembly.ID 1 _Assembly.Name 'subunit H, RPB5' _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 . _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 4144 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 rpb5 1 $rpb5 . . . native . . . . . 4144 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1HMJ . 'Chain A, Solution Structure Of Rna Polymerase Subunit H' . . . . 4144 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID rpb5 abbreviation 4144 1 'subunit H, RPB5' system 4144 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'RNA polymerase subunit' 4144 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rpb5 _Entity.Sf_category entity _Entity.Sf_framecode rpb5 _Entity.Entry_ID 4144 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name RPB5 _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 ; MKVTDHILVPKHEIVPKEEV EEILKRYNIKIQQLPKIYED DPVIQEIGAKEGDVVRVIRK SPTAGVSIAYRLVIKRII ; _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 78 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1HMJ . "Solution Structure Of Rna Polymerase Subunit H" . . . . . 100.00 78 100.00 100.00 1.50e-44 . . . . 4144 1 2 no GB AAB99042 . "DNA-directed RNA polymerase, subunit H (rpoH) [Methanocaldococcus jannaschii DSM 2661]" . . . . . 100.00 78 100.00 100.00 1.50e-44 . . . . 4144 1 3 no SP Q58443 . "RecName: Full=DNA-directed RNA polymerase subunit H" . . . . . 100.00 78 100.00 100.00 1.50e-44 . . . . 4144 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID rpb5 abbreviation 4144 1 RPB5 common 4144 1 'subunit H' variant 4144 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 . MET . 4144 1 2 . LYS . 4144 1 3 . VAL . 4144 1 4 . THR . 4144 1 5 . ASP . 4144 1 6 . HIS . 4144 1 7 . ILE . 4144 1 8 . LEU . 4144 1 9 . VAL . 4144 1 10 . PRO . 4144 1 11 . LYS . 4144 1 12 . HIS . 4144 1 13 . GLU . 4144 1 14 . ILE . 4144 1 15 . VAL . 4144 1 16 . PRO . 4144 1 17 . LYS . 4144 1 18 . GLU . 4144 1 19 . GLU . 4144 1 20 . VAL . 4144 1 21 . GLU . 4144 1 22 . GLU . 4144 1 23 . ILE . 4144 1 24 . LEU . 4144 1 25 . LYS . 4144 1 26 . ARG . 4144 1 27 . TYR . 4144 1 28 . ASN . 4144 1 29 . ILE . 4144 1 30 . LYS . 4144 1 31 . ILE . 4144 1 32 . GLN . 4144 1 33 . GLN . 4144 1 34 . LEU . 4144 1 35 . PRO . 4144 1 36 . LYS . 4144 1 37 . ILE . 4144 1 38 . TYR . 4144 1 39 . GLU . 4144 1 40 . ASP . 4144 1 41 . ASP . 4144 1 42 . PRO . 4144 1 43 . VAL . 4144 1 44 . ILE . 4144 1 45 . GLN . 4144 1 46 . GLU . 4144 1 47 . ILE . 4144 1 48 . GLY . 4144 1 49 . ALA . 4144 1 50 . LYS . 4144 1 51 . GLU . 4144 1 52 . GLY . 4144 1 53 . ASP . 4144 1 54 . VAL . 4144 1 55 . VAL . 4144 1 56 . ARG . 4144 1 57 . VAL . 4144 1 58 . ILE . 4144 1 59 . ARG . 4144 1 60 . LYS . 4144 1 61 . SER . 4144 1 62 . PRO . 4144 1 63 . THR . 4144 1 64 . ALA . 4144 1 65 . GLY . 4144 1 66 . VAL . 4144 1 67 . SER . 4144 1 68 . ILE . 4144 1 69 . ALA . 4144 1 70 . TYR . 4144 1 71 . ARG . 4144 1 72 . LEU . 4144 1 73 . VAL . 4144 1 74 . ILE . 4144 1 75 . LYS . 4144 1 76 . ARG . 4144 1 77 . ILE . 4144 1 78 . ILE . 4144 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 . MET 1 1 4144 1 . LYS 2 2 4144 1 . VAL 3 3 4144 1 . THR 4 4 4144 1 . ASP 5 5 4144 1 . HIS 6 6 4144 1 . ILE 7 7 4144 1 . LEU 8 8 4144 1 . VAL 9 9 4144 1 . PRO 10 10 4144 1 . LYS 11 11 4144 1 . HIS 12 12 4144 1 . GLU 13 13 4144 1 . ILE 14 14 4144 1 . VAL 15 15 4144 1 . PRO 16 16 4144 1 . LYS 17 17 4144 1 . GLU 18 18 4144 1 . GLU 19 19 4144 1 . VAL 20 20 4144 1 . GLU 21 21 4144 1 . GLU 22 22 4144 1 . ILE 23 23 4144 1 . LEU 24 24 4144 1 . LYS 25 25 4144 1 . ARG 26 26 4144 1 . TYR 27 27 4144 1 . ASN 28 28 4144 1 . ILE 29 29 4144 1 . LYS 30 30 4144 1 . ILE 31 31 4144 1 . GLN 32 32 4144 1 . GLN 33 33 4144 1 . LEU 34 34 4144 1 . PRO 35 35 4144 1 . LYS 36 36 4144 1 . ILE 37 37 4144 1 . TYR 38 38 4144 1 . GLU 39 39 4144 1 . ASP 40 40 4144 1 . ASP 41 41 4144 1 . PRO 42 42 4144 1 . VAL 43 43 4144 1 . ILE 44 44 4144 1 . GLN 45 45 4144 1 . GLU 46 46 4144 1 . ILE 47 47 4144 1 . GLY 48 48 4144 1 . ALA 49 49 4144 1 . LYS 50 50 4144 1 . GLU 51 51 4144 1 . GLY 52 52 4144 1 . ASP 53 53 4144 1 . VAL 54 54 4144 1 . VAL 55 55 4144 1 . ARG 56 56 4144 1 . VAL 57 57 4144 1 . ILE 58 58 4144 1 . ARG 59 59 4144 1 . LYS 60 60 4144 1 . SER 61 61 4144 1 . PRO 62 62 4144 1 . THR 63 63 4144 1 . ALA 64 64 4144 1 . GLY 65 65 4144 1 . VAL 66 66 4144 1 . SER 67 67 4144 1 . ILE 68 68 4144 1 . ALA 69 69 4144 1 . TYR 70 70 4144 1 . ARG 71 71 4144 1 . LEU 72 72 4144 1 . VAL 73 73 4144 1 . ILE 74 74 4144 1 . LYS 75 75 4144 1 . ARG 76 76 4144 1 . ILE 77 77 4144 1 . ILE 78 78 4144 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 4144 _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 $rpb5 . 2190 . . 'Methanococcus jannaschii' 'Methanococcus jannaschii' . . Archaea Euryarchaeota Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 4144 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 4144 _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 $rpb5 . 'recombinant technology' 'Methanoccocus jannaschii' 'M. jannaschii' . . Methanoccocus jannaschii . . . . . . . . . . . . . plasmid . . pGEX-2T . . . . . . 4144 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4144 _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 RPB5 [U-13C;U-15N] . . 1 $rpb5 . . 1.0 . . mM . . . . 4144 1 2 H2O . . . . . . . 90 . . % . . . . 4144 1 3 D2O . . . . . . . 10 . . % . . . . 4144 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4144 _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 . n/a 4144 1 temperature 302 . K 4144 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4144 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX-500 _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4144 _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_one Bruker DRX-500 . 500 . . . 4144 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 4144 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4144 _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 . . . . . ppm 0.0 . indirect 0.251449519 . . . . . . . . . 4144 1 H 1 DSS methyl . . . . ppm 0.0 external direct . . . . . . . . . . 4144 1 N 15 DSS . . . . . ppm 0.0 . indirect 0.101329122 . . . . . . . . . 4144 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_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4144 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 ; The chemical shifts recorded in this save frame are from amino acid residues where only a single set of shifts were observed. ; _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_one . 4144 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 MET H H 1 8.33 0.01 . 1 . . . . . . . . 4144 1 2 . 1 1 1 1 MET N N 15 121.3 0.2 . 1 . . . . . . . . 4144 1 3 . 1 1 1 1 MET HA H 1 4.6 0.01 . 1 . . . . . . . . 4144 1 4 . 1 1 1 1 MET CA C 13 53.1 0.2 . 1 . . . . . . . . 4144 1 5 . 1 1 1 1 MET CB C 13 30.6 0.2 . 1 . . . . . . . . 4144 1 6 . 1 1 1 1 MET C C 13 173.4 0.2 . 1 . . . . . . . . 4144 1 7 . 1 1 2 2 LYS H H 1 8.44 0.01 . 1 . . . . . . . . 4144 1 8 . 1 1 2 2 LYS N N 15 123.8 0.2 . 1 . . . . . . . . 4144 1 9 . 1 1 2 2 LYS HA H 1 4.3 0.01 . 1 . . . . . . . . 4144 1 10 . 1 1 2 2 LYS CA C 13 53.9 0.2 . 1 . . . . . . . . 4144 1 11 . 1 1 2 2 LYS CB C 13 30.7 0.2 . 1 . . . . . . . . 4144 1 12 . 1 1 2 2 LYS C C 13 174.2 0.2 . 1 . . . . . . . . 4144 1 13 . 1 1 3 3 VAL H H 1 8.29 0.01 . 1 . . . . . . . . 4144 1 14 . 1 1 3 3 VAL N N 15 121.8 0.2 . 1 . . . . . . . . 4144 1 15 . 1 1 3 3 VAL HA H 1 4.1 0.01 . 1 . . . . . . . . 4144 1 16 . 1 1 3 3 VAL CA C 13 60.1 0.2 . 1 . . . . . . . . 4144 1 17 . 1 1 3 3 VAL CB C 13 30.3 0.2 . 1 . . . . . . . . 4144 1 18 . 1 1 3 3 VAL C C 13 174.0 0.2 . 1 . . . . . . . . 4144 1 19 . 1 1 4 4 THR H H 1 8.04 0.01 . 1 . . . . . . . . 4144 1 20 . 1 1 4 4 THR HA H 1 4.3 0.01 . 1 . . . . . . . . 4144 1 21 . 1 1 4 4 THR CA C 13 59.2 0.2 . 1 . . . . . . . . 4144 1 22 . 1 1 4 4 THR CB C 13 58.6 0.2 . 1 . . . . . . . . 4144 1 23 . 1 1 4 4 THR C C 13 171.7 0.2 . 1 . . . . . . . . 4144 1 24 . 1 1 5 5 ASP H H 1 8.11 0.01 . 1 . . . . . . . . 4144 1 25 . 1 1 5 5 ASP N N 15 122.1 0.2 . 1 . . . . . . . . 4144 1 26 . 1 1 5 5 ASP HA H 1 4.1 0.01 . 1 . . . . . . . . 4144 1 27 . 1 1 5 5 ASP CA C 13 51.9 0.2 . 1 . . . . . . . . 4144 1 28 . 1 1 5 5 ASP CB C 13 38.7 0.2 . 1 . . . . . . . . 4144 1 29 . 1 1 5 5 ASP C C 13 173.5 0.2 . 1 . . . . . . . . 4144 1 30 . 1 1 6 6 HIS H H 1 8.43 0.01 . 1 . . . . . . . . 4144 1 31 . 1 1 6 6 HIS N N 15 118.1 0.2 . 1 . . . . . . . . 4144 1 32 . 1 1 6 6 HIS HA H 1 4.6 0.01 . 1 . . . . . . . . 4144 1 33 . 1 1 6 6 HIS CA C 13 52.9 0.2 . 1 . . . . . . . . 4144 1 34 . 1 1 6 6 HIS CB C 13 26.5 0.2 . 1 . . . . . . . . 4144 1 35 . 1 1 6 6 HIS C C 13 171.8 0.2 . 1 . . . . . . . . 4144 1 36 . 1 1 7 7 ILE H H 1 8.10 0.01 . 1 . . . . . . . . 4144 1 37 . 1 1 7 7 ILE N N 15 120.8 0.2 . 1 . . . . . . . . 4144 1 38 . 1 1 7 7 ILE HA H 1 4.1 0.01 . 1 . . . . . . . . 4144 1 39 . 1 1 7 7 ILE CA C 13 58.9 0.2 . 1 . . . . . . . . 4144 1 40 . 1 1 7 7 ILE CB C 13 36.0 0.2 . 1 . . . . . . . . 4144 1 41 . 1 1 7 7 ILE C C 13 173.4 0.2 . 1 . . . . . . . . 4144 1 42 . 1 1 8 8 LEU H H 1 8.27 0.01 . 1 . . . . . . . . 4144 1 43 . 1 1 8 8 LEU N N 15 124.9 0.2 . 1 . . . . . . . . 4144 1 44 . 1 1 8 8 LEU HA H 1 4.4 0.01 . 1 . . . . . . . . 4144 1 45 . 1 1 8 8 LEU CA C 13 52.4 0.2 . 1 . . . . . . . . 4144 1 46 . 1 1 8 8 LEU CB C 13 39.7 0.2 . 1 . . . . . . . . 4144 1 47 . 1 1 8 8 LEU C C 13 174.2 0.2 . 1 . . . . . . . . 4144 1 48 . 1 1 9 9 VAL H H 1 7.98 0.01 . 1 . . . . . . . . 4144 1 49 . 1 1 9 9 VAL N N 15 122.1 0.2 . 1 . . . . . . . . 4144 1 50 . 1 1 9 9 VAL HA H 1 4.4 0.01 . 1 . . . . . . . . 4144 1 51 . 1 1 9 9 VAL CA C 13 57.3 0.2 . 1 . . . . . . . . 4144 1 52 . 1 1 10 10 PRO CA C 13 60.5 0.2 . 1 . . . . . . . . 4144 1 53 . 1 1 10 10 PRO CB C 13 29.5 0.2 . 1 . . . . . . . . 4144 1 54 . 1 1 10 10 PRO C C 13 173.5 0.2 . 1 . . . . . . . . 4144 1 55 . 1 1 11 11 LYS H H 1 8.18 0.01 . 1 . . . . . . . . 4144 1 56 . 1 1 11 11 LYS N N 15 126.7 0.2 . 1 . . . . . . . . 4144 1 57 . 1 1 11 11 LYS HA H 1 4.4 0.01 . 1 . . . . . . . . 4144 1 58 . 1 1 11 11 LYS CA C 13 53.5 0.2 . 1 . . . . . . . . 4144 1 59 . 1 1 11 11 LYS CB C 13 31.2 0.2 . 1 . . . . . . . . 4144 1 60 . 1 1 11 11 LYS C C 13 172.9 0.2 . 1 . . . . . . . . 4144 1 61 . 1 1 12 12 HIS H H 1 8.45 0.01 . 1 . . . . . . . . 4144 1 62 . 1 1 12 12 HIS N N 15 117.7 0.2 . 1 . . . . . . . . 4144 1 63 . 1 1 12 12 HIS HA H 1 5.4 0.01 . 1 . . . . . . . . 4144 1 64 . 1 1 12 12 HIS CA C 13 52.7 0.2 . 1 . . . . . . . . 4144 1 65 . 1 1 12 12 HIS CB C 13 28.7 0.2 . 1 . . . . . . . . 4144 1 66 . 1 1 12 12 HIS C C 13 171.9 0.2 . 1 . . . . . . . . 4144 1 67 . 1 1 13 13 GLU H H 1 8.73 0.01 . 1 . . . . . . . . 4144 1 68 . 1 1 13 13 GLU N N 15 117.7 0.2 . 1 . . . . . . . . 4144 1 69 . 1 1 13 13 GLU HA H 1 4.8 0.01 . 1 . . . . . . . . 4144 1 70 . 1 1 13 13 GLU CA C 13 52.2 0.2 . 1 . . . . . . . . 4144 1 71 . 1 1 13 13 GLU CB C 13 31.4 0.2 . 1 . . . . . . . . 4144 1 72 . 1 1 13 13 GLU C C 13 172.3 0.2 . 1 . . . . . . . . 4144 1 73 . 1 1 14 14 ILE H H 1 8.88 0.01 . 1 . . . . . . . . 4144 1 74 . 1 1 14 14 ILE N N 15 108.1 0.2 . 1 . . . . . . . . 4144 1 75 . 1 1 14 14 ILE HA H 1 4.1 0.01 . 1 . . . . . . . . 4144 1 76 . 1 1 14 14 ILE CA C 13 60.3 0.2 . 1 . . . . . . . . 4144 1 77 . 1 1 14 14 ILE CB C 13 36.3 0.2 . 1 . . . . . . . . 4144 1 78 . 1 1 14 14 ILE C C 13 173.8 0.2 . 1 . . . . . . . . 4144 1 79 . 1 1 15 15 VAL H H 1 9.01 0.01 . 1 . . . . . . . . 4144 1 80 . 1 1 15 15 VAL HA H 1 4.2 0.01 . 1 . . . . . . . . 4144 1 81 . 1 1 15 15 VAL CA C 13 59.7 0.2 . 1 . . . . . . . . 4144 1 82 . 1 1 16 16 PRO HA H 1 4.4 0.01 . 1 . . . . . . . . 4144 1 83 . 1 1 16 16 PRO CA C 13 60.5 0.2 . 1 . . . . . . . . 4144 1 84 . 1 1 16 16 PRO CB C 13 30.4 0.2 . 1 . . . . . . . . 4144 1 85 . 1 1 16 16 PRO C C 13 176.1 0.2 . 1 . . . . . . . . 4144 1 86 . 1 1 17 17 LYS H H 1 8.72 0.01 . 1 . . . . . . . . 4144 1 87 . 1 1 17 17 LYS N N 15 123.1 0.2 . 1 . . . . . . . . 4144 1 88 . 1 1 17 17 LYS HA H 1 3.9 0.01 . 1 . . . . . . . . 4144 1 89 . 1 1 17 17 LYS CA C 13 57.9 0.2 . 1 . . . . . . . . 4144 1 90 . 1 1 17 17 LYS CB C 13 29.9 0.2 . 1 . . . . . . . . 4144 1 91 . 1 1 17 17 LYS C C 13 176.5 0.2 . 1 . . . . . . . . 4144 1 92 . 1 1 18 18 GLU H H 1 9.51 0.01 . 1 . . . . . . . . 4144 1 93 . 1 1 18 18 GLU N N 15 116.8 0.2 . 1 . . . . . . . . 4144 1 94 . 1 1 18 18 GLU HA H 1 4.1 0.01 . 1 . . . . . . . . 4144 1 95 . 1 1 18 18 GLU CA C 13 57.0 0.2 . 1 . . . . . . . . 4144 1 96 . 1 1 18 18 GLU CB C 13 26.0 0.2 . 1 . . . . . . . . 4144 1 97 . 1 1 18 18 GLU C C 13 175.6 0.2 . 1 . . . . . . . . 4144 1 98 . 1 1 19 19 GLU H H 1 7.63 0.01 . 1 . . . . . . . . 4144 1 99 . 1 1 19 19 GLU N N 15 118.8 0.2 . 1 . . . . . . . . 4144 1 100 . 1 1 19 19 GLU HA H 1 4.3 0.01 . 1 . . . . . . . . 4144 1 101 . 1 1 19 19 GLU CA C 13 55.0 0.2 . 1 . . . . . . . . 4144 1 102 . 1 1 19 19 GLU CB C 13 27.9 0.2 . 1 . . . . . . . . 4144 1 103 . 1 1 19 19 GLU C C 13 175.5 0.2 . 1 . . . . . . . . 4144 1 104 . 1 1 20 20 VAL H H 1 7.65 0.01 . 1 . . . . . . . . 4144 1 105 . 1 1 20 20 VAL N N 15 119.8 0.2 . 1 . . . . . . . . 4144 1 106 . 1 1 20 20 VAL HA H 1 3.2 0.01 . 1 . . . . . . . . 4144 1 107 . 1 1 20 20 VAL CA C 13 65.1 0.2 . 1 . . . . . . . . 4144 1 108 . 1 1 20 20 VAL CB C 13 29.2 0.2 . 1 . . . . . . . . 4144 1 109 . 1 1 20 20 VAL C C 13 174.4 0.2 . 1 . . . . . . . . 4144 1 110 . 1 1 21 21 GLU H H 1 8.04 0.01 . 1 . . . . . . . . 4144 1 111 . 1 1 21 21 GLU N N 15 115.9 0.2 . 1 . . . . . . . . 4144 1 112 . 1 1 21 21 GLU HA H 1 3.8 0.01 . 1 . . . . . . . . 4144 1 113 . 1 1 21 21 GLU CA C 13 57.2 0.2 . 1 . . . . . . . . 4144 1 114 . 1 1 21 21 GLU CB C 13 26.6 0.2 . 1 . . . . . . . . 4144 1 115 . 1 1 21 21 GLU C C 13 176.4 0.2 . 1 . . . . . . . . 4144 1 116 . 1 1 22 22 GLU H H 1 7.40 0.01 . 1 . . . . . . . . 4144 1 117 . 1 1 22 22 GLU N N 15 117.1 0.2 . 1 . . . . . . . . 4144 1 118 . 1 1 22 22 GLU HA H 1 4.0 0.01 . 1 . . . . . . . . 4144 1 119 . 1 1 22 22 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 4144 1 120 . 1 1 22 22 GLU CB C 13 26.8 0.2 . 1 . . . . . . . . 4144 1 121 . 1 1 22 22 GLU C C 13 176.5 0.2 . 1 . . . . . . . . 4144 1 122 . 1 1 23 23 ILE H H 1 7.79 0.01 . 1 . . . . . . . . 4144 1 123 . 1 1 23 23 ILE N N 15 120.9 0.2 . 1 . . . . . . . . 4144 1 124 . 1 1 23 23 ILE HA H 1 3.5 0.01 . 1 . . . . . . . . 4144 1 125 . 1 1 23 23 ILE CA C 13 62.5 0.2 . 1 . . . . . . . . 4144 1 126 . 1 1 23 23 ILE CB C 13 35.5 0.2 . 1 . . . . . . . . 4144 1 127 . 1 1 23 23 ILE C C 13 175.3 0.2 . 1 . . . . . . . . 4144 1 128 . 1 1 24 24 LEU H H 1 8.12 0.01 . 1 . . . . . . . . 4144 1 129 . 1 1 24 24 LEU N N 15 117.2 0.2 . 1 . . . . . . . . 4144 1 130 . 1 1 24 24 LEU HA H 1 3.9 0.01 . 1 . . . . . . . . 4144 1 131 . 1 1 24 24 LEU CA C 13 55.6 0.2 . 1 . . . . . . . . 4144 1 132 . 1 1 24 24 LEU CB C 13 36.7 0.2 . 1 . . . . . . . . 4144 1 133 . 1 1 24 24 LEU C C 13 177.7 0.2 . 1 . . . . . . . . 4144 1 134 . 1 1 25 25 LYS H H 1 7.65 0.01 . 1 . . . . . . . . 4144 1 135 . 1 1 25 25 LYS N N 15 116.6 0.2 . 1 . . . . . . . . 4144 1 136 . 1 1 25 25 LYS HA H 1 4.1 0.01 . 1 . . . . . . . . 4144 1 137 . 1 1 25 25 LYS CA C 13 56.5 0.2 . 1 . . . . . . . . 4144 1 138 . 1 1 25 25 LYS CB C 13 30.2 0.2 . 1 . . . . . . . . 4144 1 139 . 1 1 25 25 LYS C C 13 177.2 0.2 . 1 . . . . . . . . 4144 1 140 . 1 1 26 26 ARG H H 1 8.01 0.01 . 1 . . . . . . . . 4144 1 141 . 1 1 26 26 ARG N N 15 119.6 0.2 . 1 . . . . . . . . 4144 1 142 . 1 1 26 26 ARG HA H 1 3.9 0.01 . 1 . . . . . . . . 4144 1 143 . 1 1 26 26 ARG CA C 13 56.5 0.2 . 1 . . . . . . . . 4144 1 144 . 1 1 26 26 ARG CB C 13 27.5 0.2 . 1 . . . . . . . . 4144 1 145 . 1 1 26 26 ARG C C 13 175.8 0.2 . 1 . . . . . . . . 4144 1 146 . 1 1 27 27 TYR H H 1 7.67 0.01 . 1 . . . . . . . . 4144 1 147 . 1 1 27 27 TYR N N 15 113.9 0.2 . 1 . . . . . . . . 4144 1 148 . 1 1 27 27 TYR HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 149 . 1 1 27 27 TYR CA C 13 55.5 0.2 . 1 . . . . . . . . 4144 1 150 . 1 1 27 27 TYR CB C 13 36.2 0.2 . 1 . . . . . . . . 4144 1 151 . 1 1 27 27 TYR C C 13 172.3 0.2 . 1 . . . . . . . . 4144 1 152 . 1 1 28 28 ASN H H 1 7.95 0.01 . 1 . . . . . . . . 4144 1 153 . 1 1 28 28 ASN N N 15 118.7 0.2 . 1 . . . . . . . . 4144 1 154 . 1 1 28 28 ASN HA H 1 4.4 0.01 . 1 . . . . . . . . 4144 1 155 . 1 1 28 28 ASN CA C 13 51.6 0.2 . 1 . . . . . . . . 4144 1 156 . 1 1 28 28 ASN CB C 13 34.6 0.2 . 1 . . . . . . . . 4144 1 157 . 1 1 28 28 ASN C C 13 171.7 0.2 . 1 . . . . . . . . 4144 1 158 . 1 1 29 29 ILE H H 1 7.84 0.01 . 1 . . . . . . . . 4144 1 159 . 1 1 29 29 ILE N N 15 111.5 0.2 . 1 . . . . . . . . 4144 1 160 . 1 1 29 29 ILE HA H 1 4.7 0.01 . 1 . . . . . . . . 4144 1 161 . 1 1 29 29 ILE CA C 13 57.2 0.2 . 1 . . . . . . . . 4144 1 162 . 1 1 29 29 ILE CB C 13 40.1 0.2 . 1 . . . . . . . . 4144 1 163 . 1 1 29 29 ILE C C 13 176.2 0.2 . 1 . . . . . . . . 4144 1 164 . 1 1 30 30 LYS H H 1 8.07 0.01 . 1 . . . . . . . . 4144 1 165 . 1 1 30 30 LYS N N 15 119.1 0.2 . 1 . . . . . . . . 4144 1 166 . 1 1 30 30 LYS HA H 1 4.6 0.01 . 1 . . . . . . . . 4144 1 167 . 1 1 30 30 LYS CA C 13 51.9 0.2 . 1 . . . . . . . . 4144 1 168 . 1 1 30 30 LYS CB C 13 31.6 0.2 . 1 . . . . . . . . 4144 1 169 . 1 1 30 30 LYS C C 13 176.5 0.2 . 1 . . . . . . . . 4144 1 170 . 1 1 31 31 ILE H H 1 8.80 0.01 . 1 . . . . . . . . 4144 1 171 . 1 1 31 31 ILE N N 15 121.9 0.2 . 1 . . . . . . . . 4144 1 172 . 1 1 31 31 ILE HA H 1 3.7 0.01 . 1 . . . . . . . . 4144 1 173 . 1 1 31 31 ILE CA C 13 62.7 0.2 . 1 . . . . . . . . 4144 1 174 . 1 1 31 31 ILE CB C 13 35.5 0.2 . 1 . . . . . . . . 4144 1 175 . 1 1 31 31 ILE C C 13 173.7 0.2 . 1 . . . . . . . . 4144 1 176 . 1 1 32 32 GLN H H 1 7.98 0.01 . 1 . . . . . . . . 4144 1 177 . 1 1 32 32 GLN N N 15 114.5 0.2 . 1 . . . . . . . . 4144 1 178 . 1 1 32 32 GLN HA H 1 4.0 0.01 . 1 . . . . . . . . 4144 1 179 . 1 1 32 32 GLN CA C 13 55.6 0.2 . 1 . . . . . . . . 4144 1 180 . 1 1 32 32 GLN CB C 13 25.0 0.2 . 1 . . . . . . . . 4144 1 181 . 1 1 32 32 GLN C C 13 174.5 0.2 . 1 . . . . . . . . 4144 1 182 . 1 1 33 33 GLN H H 1 8.12 0.01 . 1 . . . . . . . . 4144 1 183 . 1 1 33 33 GLN HA H 1 3.9 0.01 . 1 . . . . . . . . 4144 1 184 . 1 1 33 33 GLN CA C 13 53.5 0.2 . 1 . . . . . . . . 4144 1 185 . 1 1 33 33 GLN CB C 13 27.5 0.2 . 1 . . . . . . . . 4144 1 186 . 1 1 33 33 GLN C C 13 174.8 0.2 . 1 . . . . . . . . 4144 1 187 . 1 1 34 34 LEU H H 1 7.41 0.01 . 1 . . . . . . . . 4144 1 188 . 1 1 34 34 LEU N N 15 121.7 0.2 . 1 . . . . . . . . 4144 1 189 . 1 1 34 34 LEU HA H 1 4.3 0.01 . 1 . . . . . . . . 4144 1 190 . 1 1 34 34 LEU CA C 13 51.4 0.2 . 1 . . . . . . . . 4144 1 191 . 1 1 35 35 PRO HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 192 . 1 1 35 35 PRO CA C 13 60.2 0.2 . 1 . . . . . . . . 4144 1 193 . 1 1 35 35 PRO CB C 13 28.9 0.2 . 1 . . . . . . . . 4144 1 194 . 1 1 35 35 PRO C C 13 173.1 0.2 . 1 . . . . . . . . 4144 1 195 . 1 1 36 36 LYS H H 1 8.20 0.01 . 1 . . . . . . . . 4144 1 196 . 1 1 36 36 LYS N N 15 117.7 0.2 . 1 . . . . . . . . 4144 1 197 . 1 1 36 36 LYS HA H 1 5.2 0.01 . 1 . . . . . . . . 4144 1 198 . 1 1 36 36 LYS CA C 13 51.8 0.2 . 1 . . . . . . . . 4144 1 199 . 1 1 36 36 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 4144 1 200 . 1 1 36 36 LYS C C 13 174.5 0.2 . 1 . . . . . . . . 4144 1 201 . 1 1 37 37 ILE H H 1 8.61 0.01 . 1 . . . . . . . . 4144 1 202 . 1 1 37 37 ILE N N 15 121.9 0.2 . 1 . . . . . . . . 4144 1 203 . 1 1 37 37 ILE HA H 1 4.2 0.01 . 1 . . . . . . . . 4144 1 204 . 1 1 37 37 ILE CA C 13 57.7 0.2 . 1 . . . . . . . . 4144 1 205 . 1 1 37 37 ILE CB C 13 40.2 0.2 . 1 . . . . . . . . 4144 1 206 . 1 1 37 37 ILE C C 13 169.9 0.2 . 1 . . . . . . . . 4144 1 207 . 1 1 38 38 TYR H H 1 8.17 0.01 . 1 . . . . . . . . 4144 1 208 . 1 1 38 38 TYR N N 15 123.9 0.2 . 1 . . . . . . . . 4144 1 209 . 1 1 38 38 TYR HA H 1 5.2 0.01 . 1 . . . . . . . . 4144 1 210 . 1 1 38 38 TYR CA C 13 56.2 0.2 . 1 . . . . . . . . 4144 1 211 . 1 1 38 38 TYR CB C 13 37.5 0.2 . 1 . . . . . . . . 4144 1 212 . 1 1 38 38 TYR C C 13 176.0 0.2 . 1 . . . . . . . . 4144 1 213 . 1 1 39 39 GLU H H 1 8.54 0.01 . 1 . . . . . . . . 4144 1 214 . 1 1 39 39 GLU N N 15 117.9 0.2 . 1 . . . . . . . . 4144 1 215 . 1 1 39 39 GLU CA C 13 55.7 0.2 . 1 . . . . . . . . 4144 1 216 . 1 1 39 39 GLU CB C 13 28.0 0.2 . 1 . . . . . . . . 4144 1 217 . 1 1 39 39 GLU C C 13 172.0 0.2 . 1 . . . . . . . . 4144 1 218 . 1 1 40 40 ASP H H 1 7.68 0.01 . 1 . . . . . . . . 4144 1 219 . 1 1 40 40 ASP N N 15 110.6 0.2 . 1 . . . . . . . . 4144 1 220 . 1 1 40 40 ASP HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 221 . 1 1 40 40 ASP CA C 13 50.0 0.2 . 1 . . . . . . . . 4144 1 222 . 1 1 40 40 ASP CB C 13 37.3 0.2 . 1 . . . . . . . . 4144 1 223 . 1 1 40 40 ASP C C 13 173.6 0.2 . 1 . . . . . . . . 4144 1 224 . 1 1 41 41 ASP H H 1 7.62 0.01 . 1 . . . . . . . . 4144 1 225 . 1 1 41 41 ASP N N 15 124.0 0.2 . 1 . . . . . . . . 4144 1 226 . 1 1 41 41 ASP HA H 1 4.7 0.01 . 1 . . . . . . . . 4144 1 227 . 1 1 41 41 ASP CA C 13 50.6 0.2 . 1 . . . . . . . . 4144 1 228 . 1 1 42 42 PRO HA H 1 4.3 0.01 . 1 . . . . . . . . 4144 1 229 . 1 1 42 42 PRO CA C 13 63.4 0.2 . 1 . . . . . . . . 4144 1 230 . 1 1 42 42 PRO CB C 13 30.2 0.2 . 1 . . . . . . . . 4144 1 231 . 1 1 42 42 PRO C C 13 176.8 0.2 . 1 . . . . . . . . 4144 1 232 . 1 1 43 43 VAL H H 1 8.37 0.01 . 1 . . . . . . . . 4144 1 233 . 1 1 43 43 VAL N N 15 114.0 0.2 . 1 . . . . . . . . 4144 1 234 . 1 1 43 43 VAL HA H 1 3.9 0.01 . 1 . . . . . . . . 4144 1 235 . 1 1 43 43 VAL CA C 13 62.5 0.2 . 1 . . . . . . . . 4144 1 236 . 1 1 43 43 VAL CB C 13 28.7 0.2 . 1 . . . . . . . . 4144 1 237 . 1 1 43 43 VAL C C 13 174.8 0.2 . 1 . . . . . . . . 4144 1 238 . 1 1 44 44 ILE H H 1 7.23 0.01 . 1 . . . . . . . . 4144 1 239 . 1 1 44 44 ILE N N 15 118.4 0.2 . 1 . . . . . . . . 4144 1 240 . 1 1 44 44 ILE HA H 1 3.9 0.01 . 1 . . . . . . . . 4144 1 241 . 1 1 44 44 ILE CA C 13 57.6 0.2 . 1 . . . . . . . . 4144 1 242 . 1 1 44 44 ILE CB C 13 31.9 0.2 . 1 . . . . . . . . 4144 1 243 . 1 1 44 44 ILE C C 13 176.2 0.2 . 1 . . . . . . . . 4144 1 244 . 1 1 45 45 GLN H H 1 8.07 0.01 . 1 . . . . . . . . 4144 1 245 . 1 1 45 45 GLN N N 15 118.5 0.2 . 1 . . . . . . . . 4144 1 246 . 1 1 45 45 GLN HA H 1 4.2 0.01 . 1 . . . . . . . . 4144 1 247 . 1 1 45 45 GLN CA C 13 56.3 0.2 . 1 . . . . . . . . 4144 1 248 . 1 1 45 45 GLN CB C 13 26.5 0.2 . 1 . . . . . . . . 4144 1 249 . 1 1 45 45 GLN C C 13 177.2 0.2 . 1 . . . . . . . . 4144 1 250 . 1 1 46 46 GLU H H 1 7.88 0.01 . 1 . . . . . . . . 4144 1 251 . 1 1 46 46 GLU N N 15 117.0 0.2 . 1 . . . . . . . . 4144 1 252 . 1 1 46 46 GLU HA H 1 4.1 0.01 . 1 . . . . . . . . 4144 1 253 . 1 1 46 46 GLU CA C 13 56.6 0.2 . 1 . . . . . . . . 4144 1 254 . 1 1 46 46 GLU CB C 13 27.0 0.2 . 1 . . . . . . . . 4144 1 255 . 1 1 46 46 GLU C C 13 175.7 0.2 . 1 . . . . . . . . 4144 1 256 . 1 1 47 47 ILE H H 1 7.13 0.01 . 1 . . . . . . . . 4144 1 257 . 1 1 47 47 ILE N N 15 108.2 0.2 . 1 . . . . . . . . 4144 1 258 . 1 1 47 47 ILE HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 259 . 1 1 47 47 ILE CA C 13 59.0 0.2 . 1 . . . . . . . . 4144 1 260 . 1 1 47 47 ILE CB C 13 36.0 0.2 . 1 . . . . . . . . 4144 1 261 . 1 1 47 47 ILE C C 13 174.0 0.2 . 1 . . . . . . . . 4144 1 262 . 1 1 48 48 GLY H H 1 7.74 0.01 . 1 . . . . . . . . 4144 1 263 . 1 1 48 48 GLY N N 15 109.2 0.2 . 1 . . . . . . . . 4144 1 264 . 1 1 48 48 GLY HA2 H 1 3.9 0.01 . 1 . . . . . . . . 4144 1 265 . 1 1 48 48 GLY HA3 H 1 3.9 0.01 . 1 . . . . . . . . 4144 1 266 . 1 1 48 48 GLY CA C 13 44.0 0.2 . 1 . . . . . . . . 4144 1 267 . 1 1 48 48 GLY C C 13 172.5 0.2 . 1 . . . . . . . . 4144 1 268 . 1 1 49 49 ALA H H 1 7.07 0.01 . 1 . . . . . . . . 4144 1 269 . 1 1 49 49 ALA N N 15 120.5 0.2 . 1 . . . . . . . . 4144 1 270 . 1 1 49 49 ALA HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 271 . 1 1 49 49 ALA CA C 13 49.0 0.2 . 1 . . . . . . . . 4144 1 272 . 1 1 49 49 ALA CB C 13 19.0 0.2 . 1 . . . . . . . . 4144 1 273 . 1 1 49 49 ALA C C 13 172.4 0.2 . 1 . . . . . . . . 4144 1 274 . 1 1 50 50 LYS H H 1 9.09 0.01 . 1 . . . . . . . . 4144 1 275 . 1 1 50 50 LYS N N 15 118.1 0.2 . 1 . . . . . . . . 4144 1 276 . 1 1 50 50 LYS HA H 1 4.7 0.01 . 1 . . . . . . . . 4144 1 277 . 1 1 50 50 LYS CA C 13 51.2 0.2 . 1 . . . . . . . . 4144 1 278 . 1 1 50 50 LYS CB C 13 28.8 0.2 . 1 . . . . . . . . 4144 1 279 . 1 1 50 50 LYS C C 13 171.9 0.2 . 1 . . . . . . . . 4144 1 280 . 1 1 51 51 GLU H H 1 8.73 0.01 . 1 . . . . . . . . 4144 1 281 . 1 1 51 51 GLU N N 15 115.4 0.2 . 1 . . . . . . . . 4144 1 282 . 1 1 51 51 GLU HA H 1 3.5 0.01 . 1 . . . . . . . . 4144 1 283 . 1 1 51 51 GLU CA C 13 55.3 0.2 . 1 . . . . . . . . 4144 1 284 . 1 1 51 51 GLU CB C 13 27.0 0.2 . 1 . . . . . . . . 4144 1 285 . 1 1 51 51 GLU C C 13 174.1 0.2 . 1 . . . . . . . . 4144 1 286 . 1 1 52 52 GLY H H 1 8.82 0.01 . 1 . . . . . . . . 4144 1 287 . 1 1 52 52 GLY N N 15 117.8 0.2 . 1 . . . . . . . . 4144 1 288 . 1 1 52 52 GLY HA2 H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 289 . 1 1 52 52 GLY HA3 H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 290 . 1 1 52 52 GLY CA C 13 42.4 0.2 . 1 . . . . . . . . 4144 1 291 . 1 1 52 52 GLY C C 13 172.0 0.2 . 1 . . . . . . . . 4144 1 292 . 1 1 53 53 ASP H H 1 8.46 0.01 . 1 . . . . . . . . 4144 1 293 . 1 1 53 53 ASP N N 15 120.5 0.2 . 1 . . . . . . . . 4144 1 294 . 1 1 53 53 ASP HA H 1 4.6 0.01 . 1 . . . . . . . . 4144 1 295 . 1 1 53 53 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 4144 1 296 . 1 1 53 53 ASP CB C 13 38.6 0.2 . 1 . . . . . . . . 4144 1 297 . 1 1 53 53 ASP C C 13 171.8 0.2 . 1 . . . . . . . . 4144 1 298 . 1 1 54 54 VAL H H 1 8.79 0.01 . 1 . . . . . . . . 4144 1 299 . 1 1 54 54 VAL N N 15 120.3 0.2 . 1 . . . . . . . . 4144 1 300 . 1 1 54 54 VAL HA H 1 4.9 0.01 . 1 . . . . . . . . 4144 1 301 . 1 1 54 54 VAL CA C 13 58.5 0.2 . 1 . . . . . . . . 4144 1 302 . 1 1 54 54 VAL CB C 13 30.4 0.2 . 1 . . . . . . . . 4144 1 303 . 1 1 54 54 VAL C C 13 172.5 0.2 . 1 . . . . . . . . 4144 1 304 . 1 1 55 55 VAL H H 1 9.15 0.01 . 1 . . . . . . . . 4144 1 305 . 1 1 55 55 VAL N N 15 122.0 0.2 . 1 . . . . . . . . 4144 1 306 . 1 1 55 55 VAL HA H 1 5.0 0.01 . 1 . . . . . . . . 4144 1 307 . 1 1 55 55 VAL CA C 13 56.4 0.2 . 1 . . . . . . . . 4144 1 308 . 1 1 55 55 VAL CB C 13 32.9 0.2 . 1 . . . . . . . . 4144 1 309 . 1 1 55 55 VAL C C 13 172.0 0.2 . 1 . . . . . . . . 4144 1 310 . 1 1 56 56 ARG H H 1 9.37 0.01 . 1 . . . . . . . . 4144 1 311 . 1 1 56 56 ARG N N 15 124.5 0.2 . 1 . . . . . . . . 4144 1 312 . 1 1 56 56 ARG HA H 1 4.8 0.01 . 1 . . . . . . . . 4144 1 313 . 1 1 56 56 ARG CA C 13 51.4 0.2 . 1 . . . . . . . . 4144 1 314 . 1 1 56 56 ARG CB C 13 30.4 0.2 . 1 . . . . . . . . 4144 1 315 . 1 1 56 56 ARG C C 13 172.0 0.2 . 1 . . . . . . . . 4144 1 316 . 1 1 57 57 VAL H H 1 8.68 0.01 . 1 . . . . . . . . 4144 1 317 . 1 1 57 57 VAL N N 15 124.4 0.2 . 1 . . . . . . . . 4144 1 318 . 1 1 57 57 VAL HA H 1 4.2 0.01 . 1 . . . . . . . . 4144 1 319 . 1 1 57 57 VAL CA C 13 58.2 0.2 . 1 . . . . . . . . 4144 1 320 . 1 1 57 57 VAL CB C 13 30.5 0.2 . 1 . . . . . . . . 4144 1 321 . 1 1 57 57 VAL C C 13 173.0 0.2 . 1 . . . . . . . . 4144 1 322 . 1 1 58 58 ILE H H 1 8.80 0.01 . 1 . . . . . . . . 4144 1 323 . 1 1 58 58 ILE N N 15 127.3 0.2 . 1 . . . . . . . . 4144 1 324 . 1 1 58 58 ILE HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 325 . 1 1 58 58 ILE CA C 13 58.4 0.2 . 1 . . . . . . . . 4144 1 326 . 1 1 58 58 ILE CB C 13 37.1 0.2 . 1 . . . . . . . . 4144 1 327 . 1 1 58 58 ILE C C 13 173.0 0.2 . 1 . . . . . . . . 4144 1 328 . 1 1 59 59 ARG H H 1 8.60 0.01 . 1 . . . . . . . . 4144 1 329 . 1 1 59 59 ARG N N 15 126.3 0.2 . 1 . . . . . . . . 4144 1 330 . 1 1 59 59 ARG HA H 1 4.6 0.01 . 1 . . . . . . . . 4144 1 331 . 1 1 59 59 ARG CA C 13 52.3 0.2 . 1 . . . . . . . . 4144 1 332 . 1 1 59 59 ARG CB C 13 30.8 0.2 . 1 . . . . . . . . 4144 1 333 . 1 1 59 59 ARG C C 13 172.3 0.2 . 1 . . . . . . . . 4144 1 334 . 1 1 60 60 LYS H H 1 8.60 0.01 . 1 . . . . . . . . 4144 1 335 . 1 1 60 60 LYS HA H 1 4.6 0.01 . 1 . . . . . . . . 4144 1 336 . 1 1 60 60 LYS CA C 13 53.5 0.2 . 1 . . . . . . . . 4144 1 337 . 1 1 60 60 LYS CB C 13 31.5 0.2 . 1 . . . . . . . . 4144 1 338 . 1 1 60 60 LYS C C 13 173.1 0.2 . 1 . . . . . . . . 4144 1 339 . 1 1 61 61 SER H H 1 8.15 0.01 . 1 . . . . . . . . 4144 1 340 . 1 1 61 61 SER N N 15 118.9 0.2 . 1 . . . . . . . . 4144 1 341 . 1 1 61 61 SER HA H 1 5.0 0.01 . 1 . . . . . . . . 4144 1 342 . 1 1 61 61 SER CA C 13 52.4 0.2 . 1 . . . . . . . . 4144 1 343 . 1 1 62 62 PRO HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 344 . 1 1 62 62 PRO CA C 13 62.2 0.2 . 1 . . . . . . . . 4144 1 345 . 1 1 62 62 PRO CB C 13 29.8 0.2 . 1 . . . . . . . . 4144 1 346 . 1 1 62 62 PRO C C 13 175.0 0.2 . 1 . . . . . . . . 4144 1 347 . 1 1 63 63 THR H H 1 7.65 0.01 . 1 . . . . . . . . 4144 1 348 . 1 1 63 63 THR N N 15 106.6 0.2 . 1 . . . . . . . . 4144 1 349 . 1 1 63 63 THR HA H 1 4.4 0.01 . 1 . . . . . . . . 4144 1 350 . 1 1 63 63 THR CA C 13 59.4 0.2 . 1 . . . . . . . . 4144 1 351 . 1 1 63 63 THR CB C 13 58.7 0.2 . 1 . . . . . . . . 4144 1 352 . 1 1 63 63 THR C C 13 172.5 0.2 . 1 . . . . . . . . 4144 1 353 . 1 1 64 64 ALA H H 1 7.79 0.01 . 1 . . . . . . . . 4144 1 354 . 1 1 64 64 ALA N N 15 122.7 0.2 . 1 . . . . . . . . 4144 1 355 . 1 1 64 64 ALA HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 356 . 1 1 64 64 ALA CA C 13 49.9 0.2 . 1 . . . . . . . . 4144 1 357 . 1 1 64 64 ALA CB C 13 17.8 0.2 . 1 . . . . . . . . 4144 1 358 . 1 1 64 64 ALA C C 13 175.1 0.2 . 1 . . . . . . . . 4144 1 359 . 1 1 65 65 GLY H H 1 7.98 0.01 . 1 . . . . . . . . 4144 1 360 . 1 1 65 65 GLY N N 15 107.8 0.2 . 1 . . . . . . . . 4144 1 361 . 1 1 65 65 GLY HA2 H 1 4.0 0.01 . 1 . . . . . . . . 4144 1 362 . 1 1 65 65 GLY HA3 H 1 4.0 0.01 . 1 . . . . . . . . 4144 1 363 . 1 1 65 65 GLY CA C 13 42.7 0.2 . 1 . . . . . . . . 4144 1 364 . 1 1 65 65 GLY C C 13 171.6 0.2 . 1 . . . . . . . . 4144 1 365 . 1 1 66 66 VAL H H 1 8.31 0.01 . 1 . . . . . . . . 4144 1 366 . 1 1 66 66 VAL N N 15 120.4 0.2 . 1 . . . . . . . . 4144 1 367 . 1 1 66 66 VAL HA H 1 4.6 0.01 . 1 . . . . . . . . 4144 1 368 . 1 1 66 66 VAL CA C 13 59.3 0.2 . 1 . . . . . . . . 4144 1 369 . 1 1 66 66 VAL CB C 13 38.6 0.2 . 1 . . . . . . . . 4144 1 370 . 1 1 66 66 VAL C C 13 173.3 0.2 . 1 . . . . . . . . 4144 1 371 . 1 1 67 67 SER H H 1 8.79 0.01 . 1 . . . . . . . . 4144 1 372 . 1 1 67 67 SER N N 15 120.4 0.2 . 1 . . . . . . . . 4144 1 373 . 1 1 67 67 SER HA H 1 3.7 0.01 . 1 . . . . . . . . 4144 1 374 . 1 1 67 67 SER CA C 13 54.6 0.2 . 1 . . . . . . . . 4144 1 375 . 1 1 67 67 SER CB C 13 61.9 0.2 . 1 . . . . . . . . 4144 1 376 . 1 1 67 67 SER C C 13 170.5 0.2 . 1 . . . . . . . . 4144 1 377 . 1 1 68 68 ILE H H 1 8.33 0.01 . 1 . . . . . . . . 4144 1 378 . 1 1 68 68 ILE N N 15 123.6 0.2 . 1 . . . . . . . . 4144 1 379 . 1 1 68 68 ILE HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 380 . 1 1 68 68 ILE CA C 13 57.9 0.2 . 1 . . . . . . . . 4144 1 381 . 1 1 68 68 ILE CB C 13 37.2 0.2 . 1 . . . . . . . . 4144 1 382 . 1 1 68 68 ILE C C 13 172.4 0.2 . 1 . . . . . . . . 4144 1 383 . 1 1 69 69 ALA H H 1 8.34 0.01 . 1 . . . . . . . . 4144 1 384 . 1 1 69 69 ALA N N 15 129.2 0.2 . 1 . . . . . . . . 4144 1 385 . 1 1 69 69 ALA HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 386 . 1 1 69 69 ALA CA C 13 48.0 0.2 . 1 . . . . . . . . 4144 1 387 . 1 1 69 69 ALA CB C 13 20.1 0.2 . 1 . . . . . . . . 4144 1 388 . 1 1 69 69 ALA C C 13 172.2 0.2 . 1 . . . . . . . . 4144 1 389 . 1 1 70 70 TYR H H 1 7.93 0.01 . 1 . . . . . . . . 4144 1 390 . 1 1 70 70 TYR N N 15 115.8 0.2 . 1 . . . . . . . . 4144 1 391 . 1 1 70 70 TYR HA H 1 5.5 0.01 . 1 . . . . . . . . 4144 1 392 . 1 1 70 70 TYR CA C 13 54.8 0.2 . 1 . . . . . . . . 4144 1 393 . 1 1 70 70 TYR CB C 13 39.7 0.2 . 1 . . . . . . . . 4144 1 394 . 1 1 70 70 TYR C C 13 172.4 0.2 . 1 . . . . . . . . 4144 1 395 . 1 1 71 71 ARG H H 1 9.09 0.01 . 1 . . . . . . . . 4144 1 396 . 1 1 71 71 ARG N N 15 118.4 0.2 . 1 . . . . . . . . 4144 1 397 . 1 1 71 71 ARG HA H 1 5.0 0.01 . 1 . . . . . . . . 4144 1 398 . 1 1 71 71 ARG CA C 13 50.8 0.2 . 1 . . . . . . . . 4144 1 399 . 1 1 71 71 ARG CB C 13 32.2 0.2 . 1 . . . . . . . . 4144 1 400 . 1 1 71 71 ARG C C 13 171.4 0.2 . 1 . . . . . . . . 4144 1 401 . 1 1 72 72 LEU HA H 1 4.8 0.01 . 1 . . . . . . . . 4144 1 402 . 1 1 72 72 LEU CA C 13 51.1 0.2 . 1 . . . . . . . . 4144 1 403 . 1 1 72 72 LEU CB C 13 42.7 0.2 . 1 . . . . . . . . 4144 1 404 . 1 1 72 72 LEU C C 13 172.7 0.2 . 1 . . . . . . . . 4144 1 405 . 1 1 73 73 VAL H H 1 8.72 0.01 . 1 . . . . . . . . 4144 1 406 . 1 1 73 73 VAL N N 15 126.1 0.2 . 1 . . . . . . . . 4144 1 407 . 1 1 73 73 VAL HA H 1 4.5 0.01 . 1 . . . . . . . . 4144 1 408 . 1 1 73 73 VAL CA C 13 59.4 0.2 . 1 . . . . . . . . 4144 1 409 . 1 1 73 73 VAL CB C 13 31.6 0.2 . 1 . . . . . . . . 4144 1 410 . 1 1 73 73 VAL C C 13 174.4 0.2 . 1 . . . . . . . . 4144 1 411 . 1 1 74 74 ILE H H 1 8.80 0.01 . 1 . . . . . . . . 4144 1 412 . 1 1 74 74 ILE N N 15 122.7 0.2 . 1 . . . . . . . . 4144 1 413 . 1 1 74 74 ILE HA H 1 4.9 0.01 . 1 . . . . . . . . 4144 1 414 . 1 1 74 74 ILE CA C 13 56.7 0.2 . 1 . . . . . . . . 4144 1 415 . 1 1 74 74 ILE CB C 13 39.9 0.2 . 1 . . . . . . . . 4144 1 416 . 1 1 74 74 ILE C C 13 172.5 0.2 . 1 . . . . . . . . 4144 1 417 . 1 1 75 75 LYS H H 1 8.61 0.01 . 1 . . . . . . . . 4144 1 418 . 1 1 75 75 LYS N N 15 121.6 0.2 . 1 . . . . . . . . 4144 1 419 . 1 1 75 75 LYS HA H 1 4.4 0.01 . 1 . . . . . . . . 4144 1 420 . 1 1 75 75 LYS CA C 13 53.6 0.2 . 1 . . . . . . . . 4144 1 421 . 1 1 75 75 LYS CB C 13 31.6 0.2 . 1 . . . . . . . . 4144 1 422 . 1 1 75 75 LYS C C 13 173.8 0.2 . 1 . . . . . . . . 4144 1 423 . 1 1 76 76 ARG H H 1 8.87 0.01 . 1 . . . . . . . . 4144 1 424 . 1 1 76 76 ARG N N 15 123.6 0.2 . 1 . . . . . . . . 4144 1 425 . 1 1 76 76 ARG HA H 1 4.1 0.01 . 1 . . . . . . . . 4144 1 426 . 1 1 76 76 ARG CA C 13 54.0 0.2 . 1 . . . . . . . . 4144 1 427 . 1 1 76 76 ARG CB C 13 28.7 0.2 . 1 . . . . . . . . 4144 1 428 . 1 1 76 76 ARG C C 13 173.2 0.2 . 1 . . . . . . . . 4144 1 429 . 1 1 77 77 ILE H H 1 8.02 0.01 . 1 . . . . . . . . 4144 1 430 . 1 1 77 77 ILE N N 15 125.2 0.2 . 1 . . . . . . . . 4144 1 431 . 1 1 77 77 ILE HA H 1 4.2 0.01 . 1 . . . . . . . . 4144 1 432 . 1 1 77 77 ILE CA C 13 58.7 0.2 . 1 . . . . . . . . 4144 1 433 . 1 1 77 77 ILE CB C 13 35.8 0.2 . 1 . . . . . . . . 4144 1 434 . 1 1 77 77 ILE C C 13 172.8 0.2 . 1 . . . . . . . . 4144 1 435 . 1 1 78 78 ILE H H 1 7.70 0.01 . 1 . . . . . . . . 4144 1 436 . 1 1 78 78 ILE N N 15 129.5 0.2 . 1 . . . . . . . . 4144 1 437 . 1 1 78 78 ILE HA H 1 4.0 0.01 . 1 . . . . . . . . 4144 1 438 . 1 1 78 78 ILE CA C 13 60.3 0.2 . 1 . . . . . . . . 4144 1 stop_ save_