data_5797 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5797 _Entry.Title ; Solution structure of the hypothetical protein TA1414 from Thermoplasma acidophilum ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2003-05-14 _Entry.Accession_date 2003-05-14 _Entry.Last_release_date 2004-02-11 _Entry.Original_release_date 2004-02-11 _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 Daniel Monleon . . . 5797 2 Adelinda Yee . . . 5797 3 Cheryl Arrowsmith . . . 5797 4 Bernardo Celda . . . 5797 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5797 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 444 5797 '13C chemical shifts' 221 5797 '15N chemical shifts' 73 5797 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2004-02-11 2003-05-14 original author . 5797 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5797 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Solution structure of the hypothetical protein TA1414 from Thermoplasma acidophilum ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 28 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 81 _Citation.Page_last 84 _Citation.Year 2004 _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 Daniel Monleon . . . 5797 1 2 Adelinda Yee . . . 5797 1 3 Chen-Song Liu . . . 5797 1 4 Cheryl Arrowsmith . . . 5797 1 5 Bernardo Celda . . . 5797 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'structural proteomics' 5797 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ta1414 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ta1414 _Assembly.Entry_ID 5797 _Assembly.ID 1 _Assembly.Name 'Hypothetical protein ta1414' _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 free' _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 5797 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 'hypothetical protein ta1414' 1 $ta1414 . . . native . . . . . 5797 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Hypothetical protein ta1414' system 5797 1 ta1414 abbreviation 5797 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ta1414 _Entity.Sf_category entity _Entity.Sf_framecode ta1414 _Entity.Entry_ID 5797 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ta1414 _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 ; MGSSHHHHHHSSGLVPRGSH MDVKPDRVIDARGSYCPGPL MELIKAYKQAKVGEVISVYS TDAGTKKDAPAWIQKSGQEL VGVFDRNGYYEIVMKKVK ; _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 98 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10845 _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 1PAV . "Solution Nmr Structure Of Hypothetical Protein Ta1414 Of Thermoplasma Acidophilum" . . . . . 78.57 78 100.00 100.00 5.36e-48 . . . . 5797 1 2 no DBJ BAB60413 . "hypothetical protein [Thermoplasma volcanium GSS1]" . . . . . 79.59 78 97.44 98.72 6.74e-48 . . . . 5797 1 3 no DBJ BAB60602 . "hypothetical protein [Thermoplasma volcanium GSS1]" . . . . . 79.59 78 97.44 98.72 6.74e-48 . . . . 5797 1 4 no EMBL CAC12295 . "conserved hypothetical protein [Thermoplasma acidophilum]" . . . . . 79.59 78 100.00 100.00 6.78e-49 . . . . 5797 1 5 no EMBL CAC12534 . "conserved hypothetical protein [Thermoplasma acidophilum]" . . . . . 79.59 78 100.00 100.00 6.78e-49 . . . . 5797 1 6 no REF NP_111767 . "transcription regulator [Thermoplasma volcanium GSS1]" . . . . . 79.59 78 97.44 98.72 6.74e-48 . . . . 5797 1 7 no REF NP_111952 . "transcription regulator [Thermoplasma volcanium GSS1]" . . . . . 79.59 78 97.44 98.72 6.74e-48 . . . . 5797 1 8 no REF NP_394626 . "hypothetical protein Ta1170 [Thermoplasma acidophilum DSM 1728]" . . . . . 79.59 78 100.00 100.00 6.78e-49 . . . . 5797 1 9 no REF NP_394868 . "hypothetical protein Ta1414 [Thermoplasma acidophilum DSM 1728]" . . . . . 79.59 78 100.00 100.00 6.78e-49 . . . . 5797 1 10 no REF WP_010901577 . "hypothetical protein [Thermoplasma acidophilum]" . . . . . 79.59 78 100.00 100.00 6.78e-49 . . . . 5797 1 11 no SP Q9HI35 . "RecName: Full=UPF0033 protein Ta1170/Ta1414 [Thermoplasma acidophilum DSM 1728]" . . . . . 79.59 78 100.00 100.00 6.78e-49 . . . . 5797 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ta1414 common 5797 1 ta1414 abbreviation 5797 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 . 5797 1 2 . GLY . 5797 1 3 . SER . 5797 1 4 . SER . 5797 1 5 . HIS . 5797 1 6 . HIS . 5797 1 7 . HIS . 5797 1 8 . HIS . 5797 1 9 . HIS . 5797 1 10 . HIS . 5797 1 11 . SER . 5797 1 12 . SER . 5797 1 13 . GLY . 5797 1 14 . LEU . 5797 1 15 . VAL . 5797 1 16 . PRO . 5797 1 17 . ARG . 5797 1 18 . GLY . 5797 1 19 . SER . 5797 1 20 . HIS . 5797 1 21 . MET . 5797 1 22 . ASP . 5797 1 23 . VAL . 5797 1 24 . LYS . 5797 1 25 . PRO . 5797 1 26 . ASP . 5797 1 27 . ARG . 5797 1 28 . VAL . 5797 1 29 . ILE . 5797 1 30 . ASP . 5797 1 31 . ALA . 5797 1 32 . ARG . 5797 1 33 . GLY . 5797 1 34 . SER . 5797 1 35 . TYR . 5797 1 36 . CYS . 5797 1 37 . PRO . 5797 1 38 . GLY . 5797 1 39 . PRO . 5797 1 40 . LEU . 5797 1 41 . MET . 5797 1 42 . GLU . 5797 1 43 . LEU . 5797 1 44 . ILE . 5797 1 45 . LYS . 5797 1 46 . ALA . 5797 1 47 . TYR . 5797 1 48 . LYS . 5797 1 49 . GLN . 5797 1 50 . ALA . 5797 1 51 . LYS . 5797 1 52 . VAL . 5797 1 53 . GLY . 5797 1 54 . GLU . 5797 1 55 . VAL . 5797 1 56 . ILE . 5797 1 57 . SER . 5797 1 58 . VAL . 5797 1 59 . TYR . 5797 1 60 . SER . 5797 1 61 . THR . 5797 1 62 . ASP . 5797 1 63 . ALA . 5797 1 64 . GLY . 5797 1 65 . THR . 5797 1 66 . LYS . 5797 1 67 . LYS . 5797 1 68 . ASP . 5797 1 69 . ALA . 5797 1 70 . PRO . 5797 1 71 . ALA . 5797 1 72 . TRP . 5797 1 73 . ILE . 5797 1 74 . GLN . 5797 1 75 . LYS . 5797 1 76 . SER . 5797 1 77 . GLY . 5797 1 78 . GLN . 5797 1 79 . GLU . 5797 1 80 . LEU . 5797 1 81 . VAL . 5797 1 82 . GLY . 5797 1 83 . VAL . 5797 1 84 . PHE . 5797 1 85 . ASP . 5797 1 86 . ARG . 5797 1 87 . ASN . 5797 1 88 . GLY . 5797 1 89 . TYR . 5797 1 90 . TYR . 5797 1 91 . GLU . 5797 1 92 . ILE . 5797 1 93 . VAL . 5797 1 94 . MET . 5797 1 95 . LYS . 5797 1 96 . LYS . 5797 1 97 . VAL . 5797 1 98 . LYS . 5797 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 5797 1 . GLY 2 2 5797 1 . SER 3 3 5797 1 . SER 4 4 5797 1 . HIS 5 5 5797 1 . HIS 6 6 5797 1 . HIS 7 7 5797 1 . HIS 8 8 5797 1 . HIS 9 9 5797 1 . HIS 10 10 5797 1 . SER 11 11 5797 1 . SER 12 12 5797 1 . GLY 13 13 5797 1 . LEU 14 14 5797 1 . VAL 15 15 5797 1 . PRO 16 16 5797 1 . ARG 17 17 5797 1 . GLY 18 18 5797 1 . SER 19 19 5797 1 . HIS 20 20 5797 1 . MET 21 21 5797 1 . ASP 22 22 5797 1 . VAL 23 23 5797 1 . LYS 24 24 5797 1 . PRO 25 25 5797 1 . ASP 26 26 5797 1 . ARG 27 27 5797 1 . VAL 28 28 5797 1 . ILE 29 29 5797 1 . ASP 30 30 5797 1 . ALA 31 31 5797 1 . ARG 32 32 5797 1 . GLY 33 33 5797 1 . SER 34 34 5797 1 . TYR 35 35 5797 1 . CYS 36 36 5797 1 . PRO 37 37 5797 1 . GLY 38 38 5797 1 . PRO 39 39 5797 1 . LEU 40 40 5797 1 . MET 41 41 5797 1 . GLU 42 42 5797 1 . LEU 43 43 5797 1 . ILE 44 44 5797 1 . LYS 45 45 5797 1 . ALA 46 46 5797 1 . TYR 47 47 5797 1 . LYS 48 48 5797 1 . GLN 49 49 5797 1 . ALA 50 50 5797 1 . LYS 51 51 5797 1 . VAL 52 52 5797 1 . GLY 53 53 5797 1 . GLU 54 54 5797 1 . VAL 55 55 5797 1 . ILE 56 56 5797 1 . SER 57 57 5797 1 . VAL 58 58 5797 1 . TYR 59 59 5797 1 . SER 60 60 5797 1 . THR 61 61 5797 1 . ASP 62 62 5797 1 . ALA 63 63 5797 1 . GLY 64 64 5797 1 . THR 65 65 5797 1 . LYS 66 66 5797 1 . LYS 67 67 5797 1 . ASP 68 68 5797 1 . ALA 69 69 5797 1 . PRO 70 70 5797 1 . ALA 71 71 5797 1 . TRP 72 72 5797 1 . ILE 73 73 5797 1 . GLN 74 74 5797 1 . LYS 75 75 5797 1 . SER 76 76 5797 1 . GLY 77 77 5797 1 . GLN 78 78 5797 1 . GLU 79 79 5797 1 . LEU 80 80 5797 1 . VAL 81 81 5797 1 . GLY 82 82 5797 1 . VAL 83 83 5797 1 . PHE 84 84 5797 1 . ASP 85 85 5797 1 . ARG 86 86 5797 1 . ASN 87 87 5797 1 . GLY 88 88 5797 1 . TYR 89 89 5797 1 . TYR 90 90 5797 1 . GLU 91 91 5797 1 . ILE 92 92 5797 1 . VAL 93 93 5797 1 . MET 94 94 5797 1 . LYS 95 95 5797 1 . LYS 96 96 5797 1 . VAL 97 97 5797 1 . LYS 98 98 5797 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 5797 _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 $ta1414 . 2303 . . 'Thermoplasma acidophilum' 'Thermoplasma acidophilum' . . Archaea . Thermoplasma acidophilum . . . . . . . . . . . . . . . . . . . . . 5797 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 5797 _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 $ta1414 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli 'BL21 DE3 gold magic' . . . . . . . . . . . . 'pet vector' . . 'modified pet15b' . . . ; Commercial pet15b was modified to replace the thrombin cutting site to a TEV cutting site. ; . . 5797 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5797 _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 ta1414 '[U-13C; U-15N]' . . 1 $ta1414 . . . 1 2 mM . . . . 5797 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 5797 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.2 n/a 5797 1 temperature 298 1 K 5797 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 5797 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 5797 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 5797 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 5797 _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 5797 _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 . . . . . . . . . 5797 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5797 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5797 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_ta1414_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode ta1414_set_1 _Assigned_chem_shift_list.Entry_ID 5797 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_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 . 5797 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 21 21 MET C C 13 176.10 0.15 . 1 . . . . . . . . 5797 1 2 . 1 1 21 21 MET CA C 13 56.30 0.15 . 1 . . . . . . . . 5797 1 3 . 1 1 21 21 MET CB C 13 33.50 0.15 . 1 . . . . . . . . 5797 1 4 . 1 1 21 21 MET HA H 1 4.21 0.01 . 1 . . . . . . . . 5797 1 5 . 1 1 21 21 MET HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5797 1 6 . 1 1 21 21 MET HB2 H 1 2.15 0.01 . 2 . . . . . . . . 5797 1 7 . 1 1 21 21 MET HG3 H 1 2.57 0.01 . 2 . . . . . . . . 5797 1 8 . 1 1 21 21 MET HG2 H 1 2.58 0.01 . 2 . . . . . . . . 5797 1 9 . 1 1 22 22 ASP H H 1 8.36 0.01 . 1 . . . . . . . . 5797 1 10 . 1 1 22 22 ASP N N 15 122.00 0.12 . 1 . . . . . . . . 5797 1 11 . 1 1 22 22 ASP C C 13 176.50 0.15 . 1 . . . . . . . . 5797 1 12 . 1 1 22 22 ASP CA C 13 55.40 0.15 . 1 . . . . . . . . 5797 1 13 . 1 1 22 22 ASP CB C 13 42.00 0.15 . 1 . . . . . . . . 5797 1 14 . 1 1 22 22 ASP HA H 1 4.44 0.01 . 1 . . . . . . . . 5797 1 15 . 1 1 22 22 ASP HB3 H 1 2.76 0.01 . 2 . . . . . . . . 5797 1 16 . 1 1 22 22 ASP HB2 H 1 2.49 0.01 . 2 . . . . . . . . 5797 1 17 . 1 1 23 23 VAL H H 1 7.77 0.01 . 1 . . . . . . . . 5797 1 18 . 1 1 23 23 VAL N N 15 119.80 0.12 . 1 . . . . . . . . 5797 1 19 . 1 1 23 23 VAL C C 13 177.20 0.15 . 1 . . . . . . . . 5797 1 20 . 1 1 23 23 VAL CA C 13 62.50 0.15 . 1 . . . . . . . . 5797 1 21 . 1 1 23 23 VAL CB C 13 33.70 0.15 . 1 . . . . . . . . 5797 1 22 . 1 1 23 23 VAL HA H 1 4.08 0.01 . 1 . . . . . . . . 5797 1 23 . 1 1 23 23 VAL HB H 1 1.93 0.01 . 1 . . . . . . . . 5797 1 24 . 1 1 23 23 VAL HG11 H 1 0.83 0.01 . 2 . . . . . . . . 5797 1 25 . 1 1 23 23 VAL HG12 H 1 0.83 0.01 . 2 . . . . . . . . 5797 1 26 . 1 1 23 23 VAL HG13 H 1 0.83 0.01 . 2 . . . . . . . . 5797 1 27 . 1 1 23 23 VAL HG21 H 1 0.95 0.01 . 2 . . . . . . . . 5797 1 28 . 1 1 23 23 VAL HG22 H 1 0.95 0.01 . 2 . . . . . . . . 5797 1 29 . 1 1 23 23 VAL HG23 H 1 0.95 0.01 . 2 . . . . . . . . 5797 1 30 . 1 1 24 24 LYS H H 1 9.15 0.01 . 1 . . . . . . . . 5797 1 31 . 1 1 24 24 LYS N N 15 122.20 0.12 . 1 . . . . . . . . 5797 1 32 . 1 1 24 24 LYS CA C 13 55.90 0.15 . 1 . . . . . . . . 5797 1 33 . 1 1 24 24 LYS CB C 13 34.50 0.15 . 1 . . . . . . . . 5797 1 34 . 1 1 24 24 LYS HA H 1 4.38 0.01 . 1 . . . . . . . . 5797 1 35 . 1 1 24 24 LYS HB3 H 1 1.68 0.01 . 2 . . . . . . . . 5797 1 36 . 1 1 24 24 LYS HB2 H 1 1.59 0.01 . 2 . . . . . . . . 5797 1 37 . 1 1 24 24 LYS HG2 H 1 1.47 0.01 . 2 . . . . . . . . 5797 1 38 . 1 1 24 24 LYS HD2 H 1 1.63 0.01 . 2 . . . . . . . . 5797 1 39 . 1 1 24 24 LYS HE2 H 1 2.99 0.01 . 2 . . . . . . . . 5797 1 40 . 1 1 25 25 PRO C C 13 177.10 0.15 . 1 . . . . . . . . 5797 1 41 . 1 1 25 25 PRO CA C 13 58.30 0.15 . 1 . . . . . . . . 5797 1 42 . 1 1 25 25 PRO CB C 13 43.70 0.15 . 1 . . . . . . . . 5797 1 43 . 1 1 25 25 PRO HD2 H 1 3.82 0.01 . 2 . . . . . . . . 5797 1 44 . 1 1 25 25 PRO HA H 1 4.78 0.01 . 1 . . . . . . . . 5797 1 45 . 1 1 25 25 PRO HB2 H 1 2.09 0.01 . 2 . . . . . . . . 5797 1 46 . 1 1 25 25 PRO HG2 H 1 2.15 0.01 . 2 . . . . . . . . 5797 1 47 . 1 1 26 26 ASP H H 1 7.69 0.01 . 1 . . . . . . . . 5797 1 48 . 1 1 26 26 ASP N N 15 117.20 0.12 . 1 . . . . . . . . 5797 1 49 . 1 1 26 26 ASP C C 13 176.00 0.15 . 1 . . . . . . . . 5797 1 50 . 1 1 26 26 ASP CA C 13 55.90 0.15 . 1 . . . . . . . . 5797 1 51 . 1 1 26 26 ASP CB C 13 36.90 0.15 . 1 . . . . . . . . 5797 1 52 . 1 1 26 26 ASP HA H 1 4.85 0.01 . 1 . . . . . . . . 5797 1 53 . 1 1 26 26 ASP HB3 H 1 2.90 0.01 . 2 . . . . . . . . 5797 1 54 . 1 1 26 26 ASP HB2 H 1 2.79 0.01 . 2 . . . . . . . . 5797 1 55 . 1 1 27 27 ARG H H 1 8.63 0.01 . 1 . . . . . . . . 5797 1 56 . 1 1 27 27 ARG N N 15 127.70 0.12 . 1 . . . . . . . . 5797 1 57 . 1 1 27 27 ARG C C 13 176.60 0.15 . 1 . . . . . . . . 5797 1 58 . 1 1 27 27 ARG CA C 13 57.00 0.15 . 1 . . . . . . . . 5797 1 59 . 1 1 27 27 ARG CB C 13 33.80 0.15 . 1 . . . . . . . . 5797 1 60 . 1 1 27 27 ARG HA H 1 4.50 0.01 . 1 . . . . . . . . 5797 1 61 . 1 1 27 27 ARG HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5797 1 62 . 1 1 27 27 ARG HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5797 1 63 . 1 1 27 27 ARG HG2 H 1 1.68 0.01 . 2 . . . . . . . . 5797 1 64 . 1 1 28 28 VAL H H 1 9.25 0.01 . 1 . . . . . . . . 5797 1 65 . 1 1 28 28 VAL N N 15 125.20 0.12 . 1 . . . . . . . . 5797 1 66 . 1 1 28 28 VAL C C 13 175.90 0.15 . 1 . . . . . . . . 5797 1 67 . 1 1 28 28 VAL CA C 13 62.30 0.15 . 1 . . . . . . . . 5797 1 68 . 1 1 28 28 VAL CB C 13 34.40 0.15 . 1 . . . . . . . . 5797 1 69 . 1 1 28 28 VAL HA H 1 4.37 0.01 . 1 . . . . . . . . 5797 1 70 . 1 1 28 28 VAL HB H 1 1.95 0.01 . 1 . . . . . . . . 5797 1 71 . 1 1 28 28 VAL HG11 H 1 0.87 0.01 . 2 . . . . . . . . 5797 1 72 . 1 1 28 28 VAL HG12 H 1 0.87 0.01 . 2 . . . . . . . . 5797 1 73 . 1 1 28 28 VAL HG13 H 1 0.87 0.01 . 2 . . . . . . . . 5797 1 74 . 1 1 28 28 VAL HG21 H 1 0.89 0.01 . 2 . . . . . . . . 5797 1 75 . 1 1 28 28 VAL HG22 H 1 0.89 0.01 . 2 . . . . . . . . 5797 1 76 . 1 1 28 28 VAL HG23 H 1 0.89 0.01 . 2 . . . . . . . . 5797 1 77 . 1 1 29 29 ILE H H 1 9.27 0.01 . 1 . . . . . . . . 5797 1 78 . 1 1 29 29 ILE N N 15 130.50 0.12 . 1 . . . . . . . . 5797 1 79 . 1 1 29 29 ILE C C 13 174.80 0.15 . 1 . . . . . . . . 5797 1 80 . 1 1 29 29 ILE CA C 13 59.70 0.15 . 1 . . . . . . . . 5797 1 81 . 1 1 29 29 ILE CB C 13 38.40 0.15 . 1 . . . . . . . . 5797 1 82 . 1 1 29 29 ILE HA H 1 4.71 0.01 . 1 . . . . . . . . 5797 1 83 . 1 1 29 29 ILE HB H 1 1.96 0.01 . 1 . . . . . . . . 5797 1 84 . 1 1 29 29 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5797 1 85 . 1 1 29 29 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5797 1 86 . 1 1 29 29 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5797 1 87 . 1 1 29 29 ILE HG12 H 1 1.15 0.01 . 2 . . . . . . . . 5797 1 88 . 1 1 29 29 ILE HG13 H 1 1.10 0.01 . 2 . . . . . . . . 5797 1 89 . 1 1 29 29 ILE HD11 H 1 0.82 0.01 . 1 . . . . . . . . 5797 1 90 . 1 1 29 29 ILE HD12 H 1 0.82 0.01 . 1 . . . . . . . . 5797 1 91 . 1 1 29 29 ILE HD13 H 1 0.82 0.01 . 1 . . . . . . . . 5797 1 92 . 1 1 30 30 ASP H H 1 8.92 0.01 . 1 . . . . . . . . 5797 1 93 . 1 1 30 30 ASP N N 15 126.60 0.12 . 1 . . . . . . . . 5797 1 94 . 1 1 30 30 ASP C C 13 175.80 0.15 . 1 . . . . . . . . 5797 1 95 . 1 1 30 30 ASP CA C 13 54.00 0.15 . 1 . . . . . . . . 5797 1 96 . 1 1 30 30 ASP CB C 13 39.90 0.15 . 1 . . . . . . . . 5797 1 97 . 1 1 30 30 ASP HA H 1 5.18 0.01 . 1 . . . . . . . . 5797 1 98 . 1 1 30 30 ASP HB3 H 1 2.70 0.01 . 2 . . . . . . . . 5797 1 99 . 1 1 30 30 ASP HB2 H 1 2.81 0.01 . 2 . . . . . . . . 5797 1 100 . 1 1 31 31 ALA H H 1 7.84 0.01 . 1 . . . . . . . . 5797 1 101 . 1 1 31 31 ALA N N 15 130.20 0.12 . 1 . . . . . . . . 5797 1 102 . 1 1 31 31 ALA C C 13 179.20 0.15 . 1 . . . . . . . . 5797 1 103 . 1 1 31 31 ALA CA C 13 51.20 0.15 . 1 . . . . . . . . 5797 1 104 . 1 1 31 31 ALA CB C 13 18.10 0.15 . 1 . . . . . . . . 5797 1 105 . 1 1 31 31 ALA HA H 1 4.69 0.01 . 1 . . . . . . . . 5797 1 106 . 1 1 31 31 ALA HB1 H 1 1.40 0.01 . 1 . . . . . . . . 5797 1 107 . 1 1 31 31 ALA HB2 H 1 1.40 0.01 . 1 . . . . . . . . 5797 1 108 . 1 1 31 31 ALA HB3 H 1 1.40 0.01 . 1 . . . . . . . . 5797 1 109 . 1 1 32 32 ARG H H 1 7.66 0.01 . 1 . . . . . . . . 5797 1 110 . 1 1 32 32 ARG N N 15 119.70 0.12 . 1 . . . . . . . . 5797 1 111 . 1 1 32 32 ARG C C 13 177.30 0.15 . 1 . . . . . . . . 5797 1 112 . 1 1 32 32 ARG CA C 13 60.50 0.15 . 1 . . . . . . . . 5797 1 113 . 1 1 32 32 ARG CB C 13 31.10 0.15 . 1 . . . . . . . . 5797 1 114 . 1 1 32 32 ARG HA H 1 3.89 0.01 . 1 . . . . . . . . 5797 1 115 . 1 1 32 32 ARG HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5797 1 116 . 1 1 32 32 ARG HB2 H 1 2.05 0.01 . 2 . . . . . . . . 5797 1 117 . 1 1 32 32 ARG HG3 H 1 1.82 0.01 . 2 . . . . . . . . 5797 1 118 . 1 1 32 32 ARG HG2 H 1 1.55 0.01 . 2 . . . . . . . . 5797 1 119 . 1 1 32 32 ARG HD3 H 1 3.51 0.01 . 2 . . . . . . . . 5797 1 120 . 1 1 32 32 ARG HD2 H 1 3.30 0.01 . 2 . . . . . . . . 5797 1 121 . 1 1 33 33 GLY H H 1 8.67 0.01 . 1 . . . . . . . . 5797 1 122 . 1 1 33 33 GLY N N 15 111.60 0.12 . 1 . . . . . . . . 5797 1 123 . 1 1 33 33 GLY C C 13 174.40 0.15 . 1 . . . . . . . . 5797 1 124 . 1 1 33 33 GLY CA C 13 46.60 0.15 . 1 . . . . . . . . 5797 1 125 . 1 1 33 33 GLY HA2 H 1 4.09 0.01 . 2 . . . . . . . . 5797 1 126 . 1 1 33 33 GLY HA3 H 1 3.88 0.01 . 2 . . . . . . . . 5797 1 127 . 1 1 34 34 SER H H 1 7.52 0.01 . 1 . . . . . . . . 5797 1 128 . 1 1 34 34 SER N N 15 113.60 0.12 . 1 . . . . . . . . 5797 1 129 . 1 1 34 34 SER C C 13 175.00 0.15 . 1 . . . . . . . . 5797 1 130 . 1 1 34 34 SER CA C 13 57.80 0.15 . 1 . . . . . . . . 5797 1 131 . 1 1 34 34 SER CB C 13 66.40 0.15 . 1 . . . . . . . . 5797 1 132 . 1 1 34 34 SER HA H 1 4.88 0.01 . 1 . . . . . . . . 5797 1 133 . 1 1 34 34 SER HB3 H 1 4.00 0.01 . 2 . . . . . . . . 5797 1 134 . 1 1 34 34 SER HB2 H 1 3.85 0.01 . 2 . . . . . . . . 5797 1 135 . 1 1 35 35 TYR H H 1 8.62 0.01 . 1 . . . . . . . . 5797 1 136 . 1 1 35 35 TYR N N 15 123.10 0.12 . 1 . . . . . . . . 5797 1 137 . 1 1 35 35 TYR C C 13 176.30 0.15 . 1 . . . . . . . . 5797 1 138 . 1 1 35 35 TYR CA C 13 57.90 0.15 . 1 . . . . . . . . 5797 1 139 . 1 1 35 35 TYR CB C 13 40.50 0.15 . 1 . . . . . . . . 5797 1 140 . 1 1 35 35 TYR HA H 1 4.57 0.01 . 1 . . . . . . . . 5797 1 141 . 1 1 35 35 TYR HB3 H 1 3.10 0.01 . 2 . . . . . . . . 5797 1 142 . 1 1 35 35 TYR HB2 H 1 3.02 0.01 . 2 . . . . . . . . 5797 1 143 . 1 1 35 35 TYR HE2 H 1 6.85 0.01 . 1 . . . . . . . . 5797 1 144 . 1 1 35 35 TYR HD2 H 1 7.08 0.01 . 1 . . . . . . . . 5797 1 145 . 1 1 36 36 CYS H H 1 8.20 0.01 . 1 . . . . . . . . 5797 1 146 . 1 1 36 36 CYS N N 15 121.90 0.12 . 1 . . . . . . . . 5797 1 147 . 1 1 36 36 CYS CA C 13 57.00 0.15 . 1 . . . . . . . . 5797 1 148 . 1 1 36 36 CYS CB C 13 29.70 0.15 . 1 . . . . . . . . 5797 1 149 . 1 1 36 36 CYS HA H 1 4.29 0.01 . 1 . . . . . . . . 5797 1 150 . 1 1 36 36 CYS HB3 H 1 3.02 0.01 . 2 . . . . . . . . 5797 1 151 . 1 1 36 36 CYS HB2 H 1 3.20 0.01 . 2 . . . . . . . . 5797 1 152 . 1 1 37 37 PRO C C 13 174.90 0.15 . 1 . . . . . . . . 5797 1 153 . 1 1 37 37 PRO CA C 13 54.20 0.15 . 1 . . . . . . . . 5797 1 154 . 1 1 37 37 PRO CB C 13 37.00 0.15 . 1 . . . . . . . . 5797 1 155 . 1 1 37 37 PRO HD2 H 1 3.75 0.01 . 2 . . . . . . . . 5797 1 156 . 1 1 37 37 PRO HA H 1 4.44 0.01 . 1 . . . . . . . . 5797 1 157 . 1 1 37 37 PRO HB3 H 1 2.11 0.01 . 2 . . . . . . . . 5797 1 158 . 1 1 37 37 PRO HB2 H 1 2.47 0.01 . 2 . . . . . . . . 5797 1 159 . 1 1 37 37 PRO HG2 H 1 2.09 0.01 . 2 . . . . . . . . 5797 1 160 . 1 1 38 38 GLY H H 1 7.79 0.01 . 1 . . . . . . . . 5797 1 161 . 1 1 38 38 GLY N N 15 108.50 0.12 . 1 . . . . . . . . 5797 1 162 . 1 1 38 38 GLY CA C 13 45.40 0.15 . 1 . . . . . . . . 5797 1 163 . 1 1 38 38 GLY HA2 H 1 3.82 0.01 . 2 . . . . . . . . 5797 1 164 . 1 1 38 38 GLY HA3 H 1 4.40 0.01 . 2 . . . . . . . . 5797 1 165 . 1 1 39 39 PRO C C 13 179.20 0.15 . 2 . . . . . . . . 5797 1 166 . 1 1 39 39 PRO CA C 13 62.30 0.15 . 1 . . . . . . . . 5797 1 167 . 1 1 39 39 PRO CB C 13 32.20 0.15 . 1 . . . . . . . . 5797 1 168 . 1 1 39 39 PRO HD2 H 1 3.98 0.01 . 2 . . . . . . . . 5797 1 169 . 1 1 39 39 PRO HA H 1 4.60 0.01 . 1 . . . . . . . . 5797 1 170 . 1 1 39 39 PRO HB3 H 1 1.99 0.01 . 2 . . . . . . . . 5797 1 171 . 1 1 39 39 PRO HB2 H 1 2.22 0.01 . 2 . . . . . . . . 5797 1 172 . 1 1 39 39 PRO HG2 H 1 2.17 0.01 . 1 . . . . . . . . 5797 1 173 . 1 1 40 40 LEU H H 1 8.31 0.01 . 1 . . . . . . . . 5797 1 174 . 1 1 40 40 LEU N N 15 120.50 0.12 . 1 . . . . . . . . 5797 1 175 . 1 1 40 40 LEU C C 13 178.90 0.15 . 1 . . . . . . . . 5797 1 176 . 1 1 40 40 LEU CA C 13 58.80 0.15 . 1 . . . . . . . . 5797 1 177 . 1 1 40 40 LEU CB C 13 42.30 0.15 . 1 . . . . . . . . 5797 1 178 . 1 1 40 40 LEU HA H 1 4.16 0.01 . 1 . . . . . . . . 5797 1 179 . 1 1 40 40 LEU HB2 H 1 1.63 0.01 . 2 . . . . . . . . 5797 1 180 . 1 1 40 40 LEU HG H 1 1.67 0.01 . 1 . . . . . . . . 5797 1 181 . 1 1 40 40 LEU HD11 H 1 1.23 0.01 . 2 . . . . . . . . 5797 1 182 . 1 1 40 40 LEU HD12 H 1 1.23 0.01 . 2 . . . . . . . . 5797 1 183 . 1 1 40 40 LEU HD13 H 1 1.23 0.01 . 2 . . . . . . . . 5797 1 184 . 1 1 40 40 LEU HD21 H 1 0.89 0.01 . 2 . . . . . . . . 5797 1 185 . 1 1 40 40 LEU HD22 H 1 0.89 0.01 . 2 . . . . . . . . 5797 1 186 . 1 1 40 40 LEU HD23 H 1 0.89 0.01 . 2 . . . . . . . . 5797 1 187 . 1 1 41 41 MET H H 1 8.46 0.01 . 1 . . . . . . . . 5797 1 188 . 1 1 41 41 MET N N 15 116.50 0.12 . 1 . . . . . . . . 5797 1 189 . 1 1 41 41 MET C C 13 181.40 0.15 . 1 . . . . . . . . 5797 1 190 . 1 1 41 41 MET CA C 13 59.80 0.15 . 1 . . . . . . . . 5797 1 191 . 1 1 41 41 MET CB C 13 32.00 0.15 . 1 . . . . . . . . 5797 1 192 . 1 1 41 41 MET HA H 1 4.11 0.01 . 1 . . . . . . . . 5797 1 193 . 1 1 41 41 MET HB3 H 1 2.03 0.01 . 2 . . . . . . . . 5797 1 194 . 1 1 41 41 MET HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5797 1 195 . 1 1 41 41 MET HG2 H 1 2.17 0.01 . 2 . . . . . . . . 5797 1 196 . 1 1 42 42 GLU H H 1 8.05 0.01 . 1 . . . . . . . . 5797 1 197 . 1 1 42 42 GLU N N 15 118.80 0.12 . 1 . . . . . . . . 5797 1 198 . 1 1 42 42 GLU C C 13 180.50 0.15 . 1 . . . . . . . . 5797 1 199 . 1 1 42 42 GLU CA C 13 59.90 0.15 . 1 . . . . . . . . 5797 1 200 . 1 1 42 42 GLU CB C 13 29.70 0.15 . 1 . . . . . . . . 5797 1 201 . 1 1 42 42 GLU HA H 1 3.92 0.01 . 1 . . . . . . . . 5797 1 202 . 1 1 42 42 GLU HB3 H 1 1.98 0.01 . 2 . . . . . . . . 5797 1 203 . 1 1 42 42 GLU HB2 H 1 2.30 0.01 . 2 . . . . . . . . 5797 1 204 . 1 1 42 42 GLU HG2 H 1 2.38 0.01 . 2 . . . . . . . . 5797 1 205 . 1 1 43 43 LEU H H 1 8.44 0.01 . 1 . . . . . . . . 5797 1 206 . 1 1 43 43 LEU N N 15 124.50 0.12 . 1 . . . . . . . . 5797 1 207 . 1 1 43 43 LEU C C 13 178.40 0.15 . 1 . . . . . . . . 5797 1 208 . 1 1 43 43 LEU CA C 13 59.60 0.15 . 1 . . . . . . . . 5797 1 209 . 1 1 43 43 LEU CB C 13 41.80 0.15 . 1 . . . . . . . . 5797 1 210 . 1 1 43 43 LEU HA H 1 4.15 0.01 . 1 . . . . . . . . 5797 1 211 . 1 1 43 43 LEU HB3 H 1 1.64 0.01 . 2 . . . . . . . . 5797 1 212 . 1 1 43 43 LEU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 5797 1 213 . 1 1 43 43 LEU HG H 1 1.73 0.01 . 1 . . . . . . . . 5797 1 214 . 1 1 43 43 LEU HD21 H 1 0.81 0.01 . 2 . . . . . . . . 5797 1 215 . 1 1 43 43 LEU HD22 H 1 0.81 0.01 . 2 . . . . . . . . 5797 1 216 . 1 1 43 43 LEU HD23 H 1 0.81 0.01 . 2 . . . . . . . . 5797 1 217 . 1 1 44 44 ILE H H 1 8.44 0.01 . 1 . . . . . . . . 5797 1 218 . 1 1 44 44 ILE N N 15 120.10 0.12 . 1 . . . . . . . . 5797 1 219 . 1 1 44 44 ILE C C 13 179.20 0.15 . 1 . . . . . . . . 5797 1 220 . 1 1 44 44 ILE CA C 13 66.70 0.15 . 1 . . . . . . . . 5797 1 221 . 1 1 44 44 ILE CB C 13 38.50 0.15 . 1 . . . . . . . . 5797 1 222 . 1 1 44 44 ILE HA H 1 3.66 0.01 . 1 . . . . . . . . 5797 1 223 . 1 1 44 44 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . 5797 1 224 . 1 1 44 44 ILE HG21 H 1 0.58 0.01 . 1 . . . . . . . . 5797 1 225 . 1 1 44 44 ILE HG22 H 1 0.58 0.01 . 1 . . . . . . . . 5797 1 226 . 1 1 44 44 ILE HG23 H 1 0.58 0.01 . 1 . . . . . . . . 5797 1 227 . 1 1 44 44 ILE HG12 H 1 0.95 0.01 . 2 . . . . . . . . 5797 1 228 . 1 1 45 45 LYS H H 1 7.49 0.01 . 1 . . . . . . . . 5797 1 229 . 1 1 45 45 LYS N N 15 118.70 0.12 . 1 . . . . . . . . 5797 1 230 . 1 1 45 45 LYS C C 13 180.50 0.15 . 1 . . . . . . . . 5797 1 231 . 1 1 45 45 LYS CA C 13 60.70 0.15 . 1 . . . . . . . . 5797 1 232 . 1 1 45 45 LYS CB C 13 33.20 0.15 . 1 . . . . . . . . 5797 1 233 . 1 1 45 45 LYS HA H 1 3.86 0.01 . 1 . . . . . . . . 5797 1 234 . 1 1 45 45 LYS HB2 H 1 1.88 0.01 . 1 . . . . . . . . 5797 1 235 . 1 1 45 45 LYS HG2 H 1 1.20 0.01 . 1 . . . . . . . . 5797 1 236 . 1 1 45 45 LYS HD2 H 1 1.66 0.01 . 1 . . . . . . . . 5797 1 237 . 1 1 46 46 ALA H H 1 7.72 0.01 . 1 . . . . . . . . 5797 1 238 . 1 1 46 46 ALA N N 15 121.20 0.12 . 1 . . . . . . . . 5797 1 239 . 1 1 46 46 ALA C C 13 181.00 0.15 . 1 . . . . . . . . 5797 1 240 . 1 1 46 46 ALA CA C 13 55.70 0.15 . 1 . . . . . . . . 5797 1 241 . 1 1 46 46 ALA CB C 13 19.90 0.15 . 1 . . . . . . . . 5797 1 242 . 1 1 46 46 ALA HA H 1 3.97 0.01 . 1 . . . . . . . . 5797 1 243 . 1 1 46 46 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 5797 1 244 . 1 1 46 46 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 5797 1 245 . 1 1 46 46 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 5797 1 246 . 1 1 47 47 TYR H H 1 9.16 0.01 . 1 . . . . . . . . 5797 1 247 . 1 1 47 47 TYR N N 15 120.90 0.12 . 1 . . . . . . . . 5797 1 248 . 1 1 47 47 TYR C C 13 178.50 0.15 . 1 . . . . . . . . 5797 1 249 . 1 1 47 47 TYR CA C 13 61.70 0.15 . 1 . . . . . . . . 5797 1 250 . 1 1 47 47 TYR CB C 13 38.00 0.15 . 1 . . . . . . . . 5797 1 251 . 1 1 47 47 TYR HA H 1 3.96 0.01 . 1 . . . . . . . . 5797 1 252 . 1 1 47 47 TYR HB3 H 1 2.92 0.01 . 2 . . . . . . . . 5797 1 253 . 1 1 47 47 TYR HB2 H 1 3.02 0.01 . 2 . . . . . . . . 5797 1 254 . 1 1 47 47 TYR HE2 H 1 6.70 0.01 . 1 . . . . . . . . 5797 1 255 . 1 1 48 48 LYS H H 1 8.19 0.01 . 1 . . . . . . . . 5797 1 256 . 1 1 48 48 LYS N N 15 120.60 0.12 . 1 . . . . . . . . 5797 1 257 . 1 1 48 48 LYS C C 13 178.80 0.15 . 1 . . . . . . . . 5797 1 258 . 1 1 48 48 LYS CA C 13 60.50 0.15 . 1 . . . . . . . . 5797 1 259 . 1 1 48 48 LYS CB C 13 33.30 0.15 . 1 . . . . . . . . 5797 1 260 . 1 1 48 48 LYS HA H 1 3.88 0.01 . 1 . . . . . . . . 5797 1 261 . 1 1 48 48 LYS HB3 H 1 1.80 0.01 . 2 . . . . . . . . 5797 1 262 . 1 1 48 48 LYS HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5797 1 263 . 1 1 48 48 LYS HG2 H 1 1.39 0.01 . 1 . . . . . . . . 5797 1 264 . 1 1 48 48 LYS HD2 H 1 1.56 0.01 . 1 . . . . . . . . 5797 1 265 . 1 1 48 48 LYS HE2 H 1 2.89 0.01 . 1 . . . . . . . . 5797 1 266 . 1 1 49 49 GLN H H 1 7.09 0.01 . 1 . . . . . . . . 5797 1 267 . 1 1 49 49 GLN N N 15 114.60 0.12 . 1 . . . . . . . . 5797 1 268 . 1 1 49 49 GLN C C 13 176.70 0.15 . 1 . . . . . . . . 5797 1 269 . 1 1 49 49 GLN CA C 13 56.90 0.15 . 1 . . . . . . . . 5797 1 270 . 1 1 49 49 GLN CB C 13 30.50 0.15 . 1 . . . . . . . . 5797 1 271 . 1 1 49 49 GLN HA H 1 4.17 0.01 . 1 . . . . . . . . 5797 1 272 . 1 1 49 49 GLN HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5797 1 273 . 1 1 49 49 GLN HB2 H 1 2.27 0.01 . 2 . . . . . . . . 5797 1 274 . 1 1 49 49 GLN HG2 H 1 2.37 0.01 . 1 . . . . . . . . 5797 1 275 . 1 1 50 50 ALA H H 1 7.31 0.01 . 1 . . . . . . . . 5797 1 276 . 1 1 50 50 ALA N N 15 121.70 0.12 . 1 . . . . . . . . 5797 1 277 . 1 1 50 50 ALA C C 13 178.10 0.15 . 1 . . . . . . . . 5797 1 278 . 1 1 50 50 ALA CA C 13 52.90 0.15 . 1 . . . . . . . . 5797 1 279 . 1 1 50 50 ALA CB C 13 20.70 0.15 . 1 . . . . . . . . 5797 1 280 . 1 1 50 50 ALA HA H 1 4.08 0.01 . 1 . . . . . . . . 5797 1 281 . 1 1 50 50 ALA HB1 H 1 1.28 0.01 . 1 . . . . . . . . 5797 1 282 . 1 1 50 50 ALA HB2 H 1 1.28 0.01 . 1 . . . . . . . . 5797 1 283 . 1 1 50 50 ALA HB3 H 1 1.28 0.01 . 1 . . . . . . . . 5797 1 284 . 1 1 51 51 LYS H H 1 8.91 0.01 . 1 . . . . . . . . 5797 1 285 . 1 1 51 51 LYS N N 15 122.90 0.12 . 1 . . . . . . . . 5797 1 286 . 1 1 51 51 LYS C C 13 178.30 0.15 . 1 . . . . . . . . 5797 1 287 . 1 1 51 51 LYS CA C 13 55.90 0.15 . 1 . . . . . . . . 5797 1 288 . 1 1 51 51 LYS CB C 13 34.10 0.15 . 1 . . . . . . . . 5797 1 289 . 1 1 51 51 LYS HA H 1 4.23 0.01 . 1 . . . . . . . . 5797 1 290 . 1 1 51 51 LYS HB3 H 1 1.33 0.01 . 2 . . . . . . . . 5797 1 291 . 1 1 51 51 LYS HB2 H 1 1.25 0.01 . 2 . . . . . . . . 5797 1 292 . 1 1 51 51 LYS HG2 H 1 1.10 0.01 . 2 . . . . . . . . 5797 1 293 . 1 1 51 51 LYS HD2 H 1 1.04 0.01 . 2 . . . . . . . . 5797 1 294 . 1 1 51 51 LYS HE2 H 1 2.77 0.01 . 2 . . . . . . . . 5797 1 295 . 1 1 52 52 VAL H H 1 8.41 0.01 . 1 . . . . . . . . 5797 1 296 . 1 1 52 52 VAL N N 15 121.40 0.12 . 1 . . . . . . . . 5797 1 297 . 1 1 52 52 VAL C C 13 177.70 0.15 . 1 . . . . . . . . 5797 1 298 . 1 1 52 52 VAL CA C 13 66.80 0.15 . 1 . . . . . . . . 5797 1 299 . 1 1 52 52 VAL CB C 13 31.50 0.15 . 1 . . . . . . . . 5797 1 300 . 1 1 52 52 VAL HA H 1 3.56 0.01 . 1 . . . . . . . . 5797 1 301 . 1 1 52 52 VAL HB H 1 2.10 0.01 . 1 . . . . . . . . 5797 1 302 . 1 1 52 52 VAL HG11 H 1 0.99 0.01 . 2 . . . . . . . . 5797 1 303 . 1 1 52 52 VAL HG12 H 1 0.99 0.01 . 2 . . . . . . . . 5797 1 304 . 1 1 52 52 VAL HG13 H 1 0.99 0.01 . 2 . . . . . . . . 5797 1 305 . 1 1 52 52 VAL HG21 H 1 0.80 0.01 . 2 . . . . . . . . 5797 1 306 . 1 1 52 52 VAL HG22 H 1 0.80 0.01 . 2 . . . . . . . . 5797 1 307 . 1 1 52 52 VAL HG23 H 1 0.80 0.01 . 2 . . . . . . . . 5797 1 308 . 1 1 53 53 GLY H H 1 9.18 0.01 . 1 . . . . . . . . 5797 1 309 . 1 1 53 53 GLY N N 15 117.00 0.12 . 1 . . . . . . . . 5797 1 310 . 1 1 53 53 GLY C C 13 175.10 0.15 . 1 . . . . . . . . 5797 1 311 . 1 1 53 53 GLY CA C 13 45.80 0.15 . 1 . . . . . . . . 5797 1 312 . 1 1 53 53 GLY HA2 H 1 3.66 0.01 . 2 . . . . . . . . 5797 1 313 . 1 1 53 53 GLY HA3 H 1 3.95 0.01 . 2 . . . . . . . . 5797 1 314 . 1 1 54 54 GLU H H 1 8.14 0.01 . 1 . . . . . . . . 5797 1 315 . 1 1 54 54 GLU N N 15 120.40 0.12 . 1 . . . . . . . . 5797 1 316 . 1 1 54 54 GLU C C 13 177.40 0.15 . 1 . . . . . . . . 5797 1 317 . 1 1 54 54 GLU CA C 13 57.00 0.15 . 1 . . . . . . . . 5797 1 318 . 1 1 54 54 GLU CB C 13 31.10 0.15 . 1 . . . . . . . . 5797 1 319 . 1 1 54 54 GLU HA H 1 3.94 0.01 . 1 . . . . . . . . 5797 1 320 . 1 1 54 54 GLU HB3 H 1 2.00 0.01 . 2 . . . . . . . . 5797 1 321 . 1 1 54 54 GLU HB2 H 1 1.71 0.01 . 2 . . . . . . . . 5797 1 322 . 1 1 54 54 GLU HG2 H 1 2.27 0.01 . 1 . . . . . . . . 5797 1 323 . 1 1 55 55 VAL H H 1 8.56 0.01 . 1 . . . . . . . . 5797 1 324 . 1 1 55 55 VAL N N 15 121.20 0.12 . 1 . . . . . . . . 5797 1 325 . 1 1 55 55 VAL C C 13 177.20 0.15 . 1 . . . . . . . . 5797 1 326 . 1 1 55 55 VAL CA C 13 58.20 0.15 . 1 . . . . . . . . 5797 1 327 . 1 1 55 55 VAL CB C 13 30.60 0.15 . 1 . . . . . . . . 5797 1 328 . 1 1 55 55 VAL HA H 1 4.48 0.01 . 1 . . . . . . . . 5797 1 329 . 1 1 55 55 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 5797 1 330 . 1 1 55 55 VAL HG11 H 1 0.87 0.01 . 2 . . . . . . . . 5797 1 331 . 1 1 55 55 VAL HG12 H 1 0.87 0.01 . 2 . . . . . . . . 5797 1 332 . 1 1 55 55 VAL HG13 H 1 0.87 0.01 . 2 . . . . . . . . 5797 1 333 . 1 1 55 55 VAL HG21 H 1 0.90 0.01 . 2 . . . . . . . . 5797 1 334 . 1 1 55 55 VAL HG22 H 1 0.90 0.01 . 2 . . . . . . . . 5797 1 335 . 1 1 55 55 VAL HG23 H 1 0.90 0.01 . 2 . . . . . . . . 5797 1 336 . 1 1 56 56 ILE H H 1 8.32 0.01 . 1 . . . . . . . . 5797 1 337 . 1 1 56 56 ILE N N 15 119.00 0.12 . 1 . . . . . . . . 5797 1 338 . 1 1 56 56 ILE C C 13 174.30 0.15 . 1 . . . . . . . . 5797 1 339 . 1 1 56 56 ILE CA C 13 54.40 0.15 . 1 . . . . . . . . 5797 1 340 . 1 1 56 56 ILE CB C 13 39.40 0.15 . 1 . . . . . . . . 5797 1 341 . 1 1 56 56 ILE HA H 1 4.67 0.01 . 1 . . . . . . . . 5797 1 342 . 1 1 56 56 ILE HB H 1 1.98 0.01 . 1 . . . . . . . . 5797 1 343 . 1 1 56 56 ILE HG21 H 1 0.61 0.01 . 1 . . . . . . . . 5797 1 344 . 1 1 56 56 ILE HG22 H 1 0.61 0.01 . 1 . . . . . . . . 5797 1 345 . 1 1 56 56 ILE HG23 H 1 0.61 0.01 . 1 . . . . . . . . 5797 1 346 . 1 1 56 56 ILE HG13 H 1 1.06 0.01 . 2 . . . . . . . . 5797 1 347 . 1 1 56 56 ILE HG12 H 1 1.13 0.01 . 2 . . . . . . . . 5797 1 348 . 1 1 57 57 SER H H 1 8.80 0.01 . 1 . . . . . . . . 5797 1 349 . 1 1 57 57 SER N N 15 122.50 0.12 . 1 . . . . . . . . 5797 1 350 . 1 1 57 57 SER C C 13 176.60 0.15 . 1 . . . . . . . . 5797 1 351 . 1 1 57 57 SER CA C 13 57.80 0.15 . 1 . . . . . . . . 5797 1 352 . 1 1 57 57 SER CB C 13 63.00 0.15 . 1 . . . . . . . . 5797 1 353 . 1 1 57 57 SER HA H 1 5.15 0.01 . 1 . . . . . . . . 5797 1 354 . 1 1 57 57 SER HB3 H 1 4.10 0.01 . 2 . . . . . . . . 5797 1 355 . 1 1 57 57 SER HB2 H 1 3.91 0.01 . 2 . . . . . . . . 5797 1 356 . 1 1 58 58 VAL H H 1 8.45 0.01 . 1 . . . . . . . . 5797 1 357 . 1 1 58 58 VAL N N 15 121.60 0.12 . 1 . . . . . . . . 5797 1 358 . 1 1 58 58 VAL C C 13 174.40 0.15 . 1 . . . . . . . . 5797 1 359 . 1 1 58 58 VAL CA C 13 59.20 0.15 . 1 . . . . . . . . 5797 1 360 . 1 1 58 58 VAL CB C 13 36.10 0.15 . 1 . . . . . . . . 5797 1 361 . 1 1 58 58 VAL HA H 1 4.04 0.01 . 1 . . . . . . . . 5797 1 362 . 1 1 58 58 VAL HB H 1 2.20 0.01 . 1 . . . . . . . . 5797 1 363 . 1 1 58 58 VAL HG11 H 1 0.90 0.01 . 2 . . . . . . . . 5797 1 364 . 1 1 58 58 VAL HG12 H 1 0.90 0.01 . 2 . . . . . . . . 5797 1 365 . 1 1 58 58 VAL HG13 H 1 0.90 0.01 . 2 . . . . . . . . 5797 1 366 . 1 1 58 58 VAL HG21 H 1 0.79 0.01 . 2 . . . . . . . . 5797 1 367 . 1 1 58 58 VAL HG22 H 1 0.79 0.01 . 2 . . . . . . . . 5797 1 368 . 1 1 58 58 VAL HG23 H 1 0.79 0.01 . 2 . . . . . . . . 5797 1 369 . 1 1 59 59 TYR H H 1 8.65 0.01 . 1 . . . . . . . . 5797 1 370 . 1 1 59 59 TYR N N 15 125.00 0.12 . 1 . . . . . . . . 5797 1 371 . 1 1 59 59 TYR C C 13 176.90 0.15 . 1 . . . . . . . . 5797 1 372 . 1 1 59 59 TYR CA C 13 52.90 0.15 . 1 . . . . . . . . 5797 1 373 . 1 1 59 59 TYR CB C 13 40.20 0.15 . 1 . . . . . . . . 5797 1 374 . 1 1 59 59 TYR HA H 1 4.91 0.01 . 1 . . . . . . . . 5797 1 375 . 1 1 59 59 TYR HB3 H 1 3.26 0.01 . 2 . . . . . . . . 5797 1 376 . 1 1 59 59 TYR HB2 H 1 3.23 0.01 . 2 . . . . . . . . 5797 1 377 . 1 1 60 60 SER H H 1 9.28 0.01 . 1 . . . . . . . . 5797 1 378 . 1 1 60 60 SER N N 15 111.70 0.12 . 1 . . . . . . . . 5797 1 379 . 1 1 60 60 SER C C 13 175.20 0.15 . 1 . . . . . . . . 5797 1 380 . 1 1 60 60 SER CA C 13 55.70 0.15 . 1 . . . . . . . . 5797 1 381 . 1 1 60 60 SER CB C 13 63.00 0.15 . 1 . . . . . . . . 5797 1 382 . 1 1 60 60 SER HA H 1 4.18 0.01 . 1 . . . . . . . . 5797 1 383 . 1 1 60 60 SER HB3 H 1 3.60 0.01 . 2 . . . . . . . . 5797 1 384 . 1 1 60 60 SER HB2 H 1 3.80 0.01 . 2 . . . . . . . . 5797 1 385 . 1 1 61 61 THR H H 1 10.07 0.01 . 1 . . . . . . . . 5797 1 386 . 1 1 61 61 THR N N 15 117.50 0.12 . 1 . . . . . . . . 5797 1 387 . 1 1 61 61 THR C C 13 177.20 0.15 . 1 . . . . . . . . 5797 1 388 . 1 1 61 61 THR CA C 13 62.80 0.15 . 1 . . . . . . . . 5797 1 389 . 1 1 61 61 THR CB C 13 69.90 0.15 . 1 . . . . . . . . 5797 1 390 . 1 1 61 61 THR HA H 1 4.13 0.01 . 1 . . . . . . . . 5797 1 391 . 1 1 61 61 THR HB H 1 4.36 0.01 . 1 . . . . . . . . 5797 1 392 . 1 1 61 61 THR HG21 H 1 1.16 0.01 . 1 . . . . . . . . 5797 1 393 . 1 1 61 61 THR HG22 H 1 1.16 0.01 . 1 . . . . . . . . 5797 1 394 . 1 1 61 61 THR HG23 H 1 1.16 0.01 . 1 . . . . . . . . 5797 1 395 . 1 1 62 62 ASP H H 1 9.23 0.01 . 1 . . . . . . . . 5797 1 396 . 1 1 62 62 ASP N N 15 129.10 0.12 . 1 . . . . . . . . 5797 1 397 . 1 1 62 62 ASP C C 13 181.90 0.15 . 1 . . . . . . . . 5797 1 398 . 1 1 62 62 ASP CA C 13 61.10 0.15 . 1 . . . . . . . . 5797 1 399 . 1 1 62 62 ASP CB C 13 43.20 0.15 . 1 . . . . . . . . 5797 1 400 . 1 1 62 62 ASP HA H 1 3.92 0.01 . 1 . . . . . . . . 5797 1 401 . 1 1 62 62 ASP HB3 H 1 2.64 0.01 . 2 . . . . . . . . 5797 1 402 . 1 1 62 62 ASP HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5797 1 403 . 1 1 63 63 ALA H H 1 9.52 0.01 . 1 . . . . . . . . 5797 1 404 . 1 1 63 63 ALA N N 15 108.90 0.12 . 1 . . . . . . . . 5797 1 405 . 1 1 63 63 ALA C C 13 185.20 0.15 . 1 . . . . . . . . 5797 1 406 . 1 1 63 63 ALA CA C 13 56.30 0.15 . 1 . . . . . . . . 5797 1 407 . 1 1 63 63 ALA CB C 13 18.10 0.15 . 1 . . . . . . . . 5797 1 408 . 1 1 63 63 ALA HA H 1 3.88 0.01 . 1 . . . . . . . . 5797 1 409 . 1 1 63 63 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 5797 1 410 . 1 1 63 63 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 5797 1 411 . 1 1 63 63 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 5797 1 412 . 1 1 64 64 GLY H H 1 8.49 0.01 . 1 . . . . . . . . 5797 1 413 . 1 1 64 64 GLY N N 15 117.20 0.12 . 1 . . . . . . . . 5797 1 414 . 1 1 64 64 GLY C C 13 178.20 0.15 . 1 . . . . . . . . 5797 1 415 . 1 1 64 64 GLY CA C 13 43.90 0.15 . 1 . . . . . . . . 5797 1 416 . 1 1 64 64 GLY HA2 H 1 3.99 0.01 . 2 . . . . . . . . 5797 1 417 . 1 1 64 64 GLY HA3 H 1 3.75 0.01 . 2 . . . . . . . . 5797 1 418 . 1 1 65 65 THR H H 1 7.93 0.01 . 1 . . . . . . . . 5797 1 419 . 1 1 65 65 THR N N 15 121.30 0.12 . 1 . . . . . . . . 5797 1 420 . 1 1 65 65 THR C C 13 173.50 0.15 . 1 . . . . . . . . 5797 1 421 . 1 1 65 65 THR CA C 13 60.80 0.15 . 1 . . . . . . . . 5797 1 422 . 1 1 65 65 THR CB C 13 66.30 0.15 . 1 . . . . . . . . 5797 1 423 . 1 1 65 65 THR HA H 1 4.03 0.01 . 1 . . . . . . . . 5797 1 424 . 1 1 65 65 THR HB H 1 4.69 0.01 . 1 . . . . . . . . 5797 1 425 . 1 1 65 65 THR HG21 H 1 0.61 0.01 . 1 . . . . . . . . 5797 1 426 . 1 1 65 65 THR HG22 H 1 0.61 0.01 . 1 . . . . . . . . 5797 1 427 . 1 1 65 65 THR HG23 H 1 0.61 0.01 . 1 . . . . . . . . 5797 1 428 . 1 1 66 66 LYS H H 1 7.43 0.01 . 1 . . . . . . . . 5797 1 429 . 1 1 66 66 LYS N N 15 116.00 0.12 . 1 . . . . . . . . 5797 1 430 . 1 1 66 66 LYS C C 13 176.00 0.15 . 1 . . . . . . . . 5797 1 431 . 1 1 66 66 LYS CA C 13 60.90 0.15 . 1 . . . . . . . . 5797 1 432 . 1 1 66 66 LYS CB C 13 33.00 0.15 . 1 . . . . . . . . 5797 1 433 . 1 1 66 66 LYS HA H 1 4.15 0.01 . 1 . . . . . . . . 5797 1 434 . 1 1 66 66 LYS HB3 H 1 1.85 0.01 . 2 . . . . . . . . 5797 1 435 . 1 1 66 66 LYS HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5797 1 436 . 1 1 66 66 LYS HG2 H 1 1.48 0.01 . 1 . . . . . . . . 5797 1 437 . 1 1 66 66 LYS HD2 H 1 1.62 0.01 . 1 . . . . . . . . 5797 1 438 . 1 1 66 66 LYS HE2 H 1 2.77 0.01 . 1 . . . . . . . . 5797 1 439 . 1 1 67 67 LYS H H 1 7.17 0.01 . 1 . . . . . . . . 5797 1 440 . 1 1 67 67 LYS N N 15 114.90 0.12 . 1 . . . . . . . . 5797 1 441 . 1 1 67 67 LYS C C 13 180.00 0.15 . 1 . . . . . . . . 5797 1 442 . 1 1 67 67 LYS CA C 13 58.20 0.15 . 1 . . . . . . . . 5797 1 443 . 1 1 67 67 LYS CB C 13 33.80 0.15 . 1 . . . . . . . . 5797 1 444 . 1 1 67 67 LYS HA H 1 4.69 0.01 . 1 . . . . . . . . 5797 1 445 . 1 1 67 67 LYS HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5797 1 446 . 1 1 67 67 LYS HB2 H 1 1.79 0.01 . 2 . . . . . . . . 5797 1 447 . 1 1 67 67 LYS HG2 H 1 1.40 0.01 . 2 . . . . . . . . 5797 1 448 . 1 1 67 67 LYS HD2 H 1 1.61 0.01 . 2 . . . . . . . . 5797 1 449 . 1 1 68 68 ASP H H 1 8.35 0.01 . 1 . . . . . . . . 5797 1 450 . 1 1 68 68 ASP N N 15 120.20 0.12 . 1 . . . . . . . . 5797 1 451 . 1 1 68 68 ASP C C 13 180.30 0.15 . 1 . . . . . . . . 5797 1 452 . 1 1 68 68 ASP CA C 13 58.50 0.15 . 1 . . . . . . . . 5797 1 453 . 1 1 68 68 ASP CB C 13 41.60 0.15 . 1 . . . . . . . . 5797 1 454 . 1 1 68 68 ASP HA H 1 4.86 0.01 . 1 . . . . . . . . 5797 1 455 . 1 1 68 68 ASP HB3 H 1 2.64 0.01 . 2 . . . . . . . . 5797 1 456 . 1 1 68 68 ASP HB2 H 1 2.53 0.01 . 2 . . . . . . . . 5797 1 457 . 1 1 69 69 ALA H H 1 8.82 0.01 . 1 . . . . . . . . 5797 1 458 . 1 1 69 69 ALA N N 15 120.70 0.12 . 1 . . . . . . . . 5797 1 459 . 1 1 69 69 ALA CA C 13 57.30 0.15 . 1 . . . . . . . . 5797 1 460 . 1 1 69 69 ALA CB C 13 16.60 0.15 . 1 . . . . . . . . 5797 1 461 . 1 1 69 69 ALA HA H 1 4.32 0.01 . 1 . . . . . . . . 5797 1 462 . 1 1 69 69 ALA HB1 H 1 1.47 0.01 . 1 . . . . . . . . 5797 1 463 . 1 1 69 69 ALA HB2 H 1 1.47 0.01 . 1 . . . . . . . . 5797 1 464 . 1 1 69 69 ALA HB3 H 1 1.47 0.01 . 1 . . . . . . . . 5797 1 465 . 1 1 70 70 PRO C C 13 178.60 0.15 . 1 . . . . . . . . 5797 1 466 . 1 1 70 70 PRO CA C 13 67.20 0.15 . 1 . . . . . . . . 5797 1 467 . 1 1 70 70 PRO CB C 13 31.30 0.15 . 1 . . . . . . . . 5797 1 468 . 1 1 70 70 PRO HA H 1 4.51 0.01 . 1 . . . . . . . . 5797 1 469 . 1 1 70 70 PRO HB3 H 1 2.04 0.01 . 2 . . . . . . . . 5797 1 470 . 1 1 70 70 PRO HB2 H 1 2.22 0.01 . 2 . . . . . . . . 5797 1 471 . 1 1 70 70 PRO HG2 H 1 2.17 0.01 . 2 . . . . . . . . 5797 1 472 . 1 1 71 71 ALA H H 1 6.93 0.01 . 1 . . . . . . . . 5797 1 473 . 1 1 71 71 ALA N N 15 117.50 0.12 . 1 . . . . . . . . 5797 1 474 . 1 1 71 71 ALA C C 13 180.80 0.15 . 1 . . . . . . . . 5797 1 475 . 1 1 71 71 ALA CA C 13 56.20 0.15 . 1 . . . . . . . . 5797 1 476 . 1 1 71 71 ALA CB C 13 18.40 0.15 . 1 . . . . . . . . 5797 1 477 . 1 1 71 71 ALA HA H 1 3.99 0.01 . 1 . . . . . . . . 5797 1 478 . 1 1 71 71 ALA HB1 H 1 1.03 0.01 . 1 . . . . . . . . 5797 1 479 . 1 1 71 71 ALA HB2 H 1 1.03 0.01 . 1 . . . . . . . . 5797 1 480 . 1 1 71 71 ALA HB3 H 1 1.03 0.01 . 1 . . . . . . . . 5797 1 481 . 1 1 72 72 TRP H H 1 7.82 0.01 . 1 . . . . . . . . 5797 1 482 . 1 1 72 72 TRP N N 15 121.00 0.12 . 1 . . . . . . . . 5797 1 483 . 1 1 72 72 TRP C C 13 179.40 0.15 . 1 . . . . . . . . 5797 1 484 . 1 1 72 72 TRP CA C 13 63.70 0.15 . 1 . . . . . . . . 5797 1 485 . 1 1 72 72 TRP CB C 13 29.30 0.15 . 1 . . . . . . . . 5797 1 486 . 1 1 72 72 TRP HA H 1 4.32 0.01 . 1 . . . . . . . . 5797 1 487 . 1 1 72 72 TRP HB3 H 1 3.12 0.01 . 2 . . . . . . . . 5797 1 488 . 1 1 72 72 TRP HB2 H 1 3.32 0.01 . 2 . . . . . . . . 5797 1 489 . 1 1 72 72 TRP HE1 H 1 10.10 0.01 . 1 . . . . . . . . 5797 1 490 . 1 1 73 73 ILE H H 1 8.73 0.01 . 1 . . . . . . . . 5797 1 491 . 1 1 73 73 ILE N N 15 122.20 0.12 . 1 . . . . . . . . 5797 1 492 . 1 1 73 73 ILE C C 13 177.80 0.15 . 1 . . . . . . . . 5797 1 493 . 1 1 73 73 ILE CA C 13 66.30 0.15 . 1 . . . . . . . . 5797 1 494 . 1 1 73 73 ILE CB C 13 38.90 0.15 . 1 . . . . . . . . 5797 1 495 . 1 1 73 73 ILE HA H 1 3.84 0.01 . 1 . . . . . . . . 5797 1 496 . 1 1 73 73 ILE HB H 1 1.95 0.01 . 1 . . . . . . . . 5797 1 497 . 1 1 73 73 ILE HG21 H 1 0.76 0.01 . 1 . . . . . . . . 5797 1 498 . 1 1 73 73 ILE HG22 H 1 0.76 0.01 . 1 . . . . . . . . 5797 1 499 . 1 1 73 73 ILE HG23 H 1 0.76 0.01 . 1 . . . . . . . . 5797 1 500 . 1 1 73 73 ILE HG12 H 1 1.67 0.01 . 2 . . . . . . . . 5797 1 501 . 1 1 73 73 ILE HG13 H 1 0.85 0.01 . 2 . . . . . . . . 5797 1 502 . 1 1 74 74 GLN H H 1 7.82 0.01 . 1 . . . . . . . . 5797 1 503 . 1 1 74 74 GLN N N 15 115.70 0.12 . 1 . . . . . . . . 5797 1 504 . 1 1 74 74 GLN C C 13 181.20 0.15 . 1 . . . . . . . . 5797 1 505 . 1 1 74 74 GLN CA C 13 59.60 0.15 . 1 . . . . . . . . 5797 1 506 . 1 1 74 74 GLN CB C 13 29.20 0.15 . 1 . . . . . . . . 5797 1 507 . 1 1 74 74 GLN HA H 1 3.94 0.01 . 1 . . . . . . . . 5797 1 508 . 1 1 74 74 GLN HB3 H 1 1.97 0.01 . 2 . . . . . . . . 5797 1 509 . 1 1 74 74 GLN HB2 H 1 2.36 0.01 . 2 . . . . . . . . 5797 1 510 . 1 1 74 74 GLN HG2 H 1 2.42 0.01 . 2 . . . . . . . . 5797 1 511 . 1 1 75 75 LYS H H 1 8.07 0.01 . 1 . . . . . . . . 5797 1 512 . 1 1 75 75 LYS N N 15 122.40 0.12 . 1 . . . . . . . . 5797 1 513 . 1 1 75 75 LYS C C 13 179.20 0.15 . 1 . . . . . . . . 5797 1 514 . 1 1 75 75 LYS CA C 13 60.00 0.15 . 1 . . . . . . . . 5797 1 515 . 1 1 75 75 LYS CB C 13 32.50 0.15 . 1 . . . . . . . . 5797 1 516 . 1 1 75 75 LYS HA H 1 3.94 0.01 . 1 . . . . . . . . 5797 1 517 . 1 1 75 75 LYS HB3 H 1 2.11 0.01 . 2 . . . . . . . . 5797 1 518 . 1 1 75 75 LYS HB2 H 1 2.47 0.01 . 2 . . . . . . . . 5797 1 519 . 1 1 75 75 LYS HG2 H 1 1.45 0.01 . 2 . . . . . . . . 5797 1 520 . 1 1 75 75 LYS HD2 H 1 1.43 0.01 . 2 . . . . . . . . 5797 1 521 . 1 1 75 75 LYS HE2 H 1 2.75 0.01 . 2 . . . . . . . . 5797 1 522 . 1 1 76 76 SER H H 1 7.62 0.01 . 1 . . . . . . . . 5797 1 523 . 1 1 76 76 SER N N 15 112.20 0.12 . 1 . . . . . . . . 5797 1 524 . 1 1 76 76 SER C C 13 175.60 0.15 . 1 . . . . . . . . 5797 1 525 . 1 1 76 76 SER CA C 13 59.90 0.15 . 1 . . . . . . . . 5797 1 526 . 1 1 76 76 SER CB C 13 64.20 0.15 . 1 . . . . . . . . 5797 1 527 . 1 1 76 76 SER HA H 1 4.09 0.01 . 1 . . . . . . . . 5797 1 528 . 1 1 76 76 SER HB3 H 1 3.95 0.01 . 2 . . . . . . . . 5797 1 529 . 1 1 76 76 SER HB2 H 1 4.16 0.01 . 2 . . . . . . . . 5797 1 530 . 1 1 77 77 GLY H H 1 7.59 0.01 . 1 . . . . . . . . 5797 1 531 . 1 1 77 77 GLY N N 15 109.50 0.12 . 1 . . . . . . . . 5797 1 532 . 1 1 77 77 GLY C C 13 175.50 0.15 . 1 . . . . . . . . 5797 1 533 . 1 1 77 77 GLY CA C 13 47.30 0.15 . 1 . . . . . . . . 5797 1 534 . 1 1 77 77 GLY HA2 H 1 4.51 0.01 . 2 . . . . . . . . 5797 1 535 . 1 1 77 77 GLY HA3 H 1 3.91 0.01 . 2 . . . . . . . . 5797 1 536 . 1 1 78 78 GLN H H 1 7.53 0.01 . 1 . . . . . . . . 5797 1 537 . 1 1 78 78 GLN N N 15 115.70 0.12 . 1 . . . . . . . . 5797 1 538 . 1 1 78 78 GLN C C 13 173.90 0.15 . 1 . . . . . . . . 5797 1 539 . 1 1 78 78 GLN CA C 13 53.40 0.15 . 1 . . . . . . . . 5797 1 540 . 1 1 78 78 GLN CB C 13 28.40 0.15 . 1 . . . . . . . . 5797 1 541 . 1 1 78 78 GLN HA H 1 4.94 0.01 . 1 . . . . . . . . 5797 1 542 . 1 1 78 78 GLN HB3 H 1 2.15 0.01 . 2 . . . . . . . . 5797 1 543 . 1 1 78 78 GLN HB2 H 1 2.17 0.01 . 2 . . . . . . . . 5797 1 544 . 1 1 78 78 GLN HG2 H 1 2.40 0.01 . 1 . . . . . . . . 5797 1 545 . 1 1 79 79 GLU H H 1 7.42 0.01 . 1 . . . . . . . . 5797 1 546 . 1 1 79 79 GLU N N 15 118.10 0.12 . 1 . . . . . . . . 5797 1 547 . 1 1 79 79 GLU C C 13 176.20 0.15 . 1 . . . . . . . . 5797 1 548 . 1 1 79 79 GLU CA C 13 56.30 0.15 . 1 . . . . . . . . 5797 1 549 . 1 1 79 79 GLU CB C 13 33.00 0.15 . 1 . . . . . . . . 5797 1 550 . 1 1 79 79 GLU HA H 1 4.47 0.01 . 1 . . . . . . . . 5797 1 551 . 1 1 79 79 GLU HB3 H 1 1.89 0.01 . 2 . . . . . . . . 5797 1 552 . 1 1 79 79 GLU HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5797 1 553 . 1 1 79 79 GLU HG3 H 1 2.24 0.01 . 2 . . . . . . . . 5797 1 554 . 1 1 79 79 GLU HG2 H 1 2.46 0.01 . 2 . . . . . . . . 5797 1 555 . 1 1 80 80 LEU H H 1 8.88 0.01 . 1 . . . . . . . . 5797 1 556 . 1 1 80 80 LEU N N 15 129.00 0.12 . 1 . . . . . . . . 5797 1 557 . 1 1 80 80 LEU C C 13 176.50 0.15 . 1 . . . . . . . . 5797 1 558 . 1 1 80 80 LEU CA C 13 55.70 0.15 . 1 . . . . . . . . 5797 1 559 . 1 1 80 80 LEU CB C 13 42.80 0.15 . 1 . . . . . . . . 5797 1 560 . 1 1 80 80 LEU HA H 1 4.80 0.01 . 1 . . . . . . . . 5797 1 561 . 1 1 80 80 LEU HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5797 1 562 . 1 1 80 80 LEU HB2 H 1 1.58 0.01 . 2 . . . . . . . . 5797 1 563 . 1 1 80 80 LEU HG H 1 1.50 0.01 . 1 . . . . . . . . 5797 1 564 . 1 1 80 80 LEU HD21 H 1 0.83 0.01 . 1 . . . . . . . . 5797 1 565 . 1 1 80 80 LEU HD22 H 1 0.83 0.01 . 1 . . . . . . . . 5797 1 566 . 1 1 80 80 LEU HD23 H 1 0.83 0.01 . 1 . . . . . . . . 5797 1 567 . 1 1 81 81 VAL H H 1 8.97 0.01 . 1 . . . . . . . . 5797 1 568 . 1 1 81 81 VAL N N 15 131.80 0.12 . 1 . . . . . . . . 5797 1 569 . 1 1 81 81 VAL C C 13 177.70 0.15 . 1 . . . . . . . . 5797 1 570 . 1 1 81 81 VAL CA C 13 65.10 0.15 . 1 . . . . . . . . 5797 1 571 . 1 1 81 81 VAL CB C 13 32.60 0.15 . 1 . . . . . . . . 5797 1 572 . 1 1 81 81 VAL HA H 1 4.24 0.01 . 1 . . . . . . . . 5797 1 573 . 1 1 81 81 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 5797 1 574 . 1 1 81 81 VAL HG11 H 1 0.70 0.01 . 2 . . . . . . . . 5797 1 575 . 1 1 81 81 VAL HG12 H 1 0.70 0.01 . 2 . . . . . . . . 5797 1 576 . 1 1 81 81 VAL HG13 H 1 0.70 0.01 . 2 . . . . . . . . 5797 1 577 . 1 1 81 81 VAL HG21 H 1 0.86 0.01 . 2 . . . . . . . . 5797 1 578 . 1 1 81 81 VAL HG22 H 1 0.86 0.01 . 2 . . . . . . . . 5797 1 579 . 1 1 81 81 VAL HG23 H 1 0.86 0.01 . 2 . . . . . . . . 5797 1 580 . 1 1 82 82 GLY H H 1 7.48 0.01 . 1 . . . . . . . . 5797 1 581 . 1 1 82 82 GLY N N 15 102.50 0.12 . 1 . . . . . . . . 5797 1 582 . 1 1 82 82 GLY CA C 13 47.10 0.15 . 1 . . . . . . . . 5797 1 583 . 1 1 82 82 GLY HA2 H 1 3.96 0.01 . 2 . . . . . . . . 5797 1 584 . 1 1 82 82 GLY HA3 H 1 4.43 0.01 . 2 . . . . . . . . 5797 1 585 . 1 1 83 83 VAL H H 1 7.45 0.01 . 1 . . . . . . . . 5797 1 586 . 1 1 83 83 VAL N N 15 119.90 0.12 . 1 . . . . . . . . 5797 1 587 . 1 1 83 83 VAL C C 13 176.00 0.15 . 1 . . . . . . . . 5797 1 588 . 1 1 83 83 VAL CA C 13 62.70 0.15 . 1 . . . . . . . . 5797 1 589 . 1 1 83 83 VAL CB C 13 34.10 0.15 . 1 . . . . . . . . 5797 1 590 . 1 1 83 83 VAL HA H 1 4.56 0.01 . 1 . . . . . . . . 5797 1 591 . 1 1 83 83 VAL HB H 1 2.16 0.01 . 1 . . . . . . . . 5797 1 592 . 1 1 83 83 VAL HG11 H 1 1.14 0.01 . 2 . . . . . . . . 5797 1 593 . 1 1 83 83 VAL HG12 H 1 1.14 0.01 . 2 . . . . . . . . 5797 1 594 . 1 1 83 83 VAL HG13 H 1 1.14 0.01 . 2 . . . . . . . . 5797 1 595 . 1 1 83 83 VAL HG21 H 1 0.85 0.01 . 2 . . . . . . . . 5797 1 596 . 1 1 83 83 VAL HG22 H 1 0.85 0.01 . 2 . . . . . . . . 5797 1 597 . 1 1 83 83 VAL HG23 H 1 0.85 0.01 . 2 . . . . . . . . 5797 1 598 . 1 1 84 84 PHE H H 1 8.01 0.01 . 1 . . . . . . . . 5797 1 599 . 1 1 84 84 PHE N N 15 121.80 0.12 . 1 . . . . . . . . 5797 1 600 . 1 1 84 84 PHE C C 13 177.90 0.15 . 1 . . . . . . . . 5797 1 601 . 1 1 84 84 PHE CA C 13 56.60 0.15 . 1 . . . . . . . . 5797 1 602 . 1 1 84 84 PHE CB C 13 43.10 0.15 . 1 . . . . . . . . 5797 1 603 . 1 1 84 84 PHE HA H 1 4.48 0.01 . 1 . . . . . . . . 5797 1 604 . 1 1 84 84 PHE HB2 H 1 2.85 0.01 . 2 . . . . . . . . 5797 1 605 . 1 1 85 85 ASP N N 15 119.60 0.12 . 1 . . . . . . . . 5797 1 606 . 1 1 85 85 ASP C C 13 174.90 0.15 . 1 . . . . . . . . 5797 1 607 . 1 1 85 85 ASP CA C 13 58.80 0.15 . 1 . . . . . . . . 5797 1 608 . 1 1 85 85 ASP CB C 13 42.60 0.15 . 1 . . . . . . . . 5797 1 609 . 1 1 85 85 ASP HA H 1 4.63 0.01 . 1 . . . . . . . . 5797 1 610 . 1 1 85 85 ASP HB3 H 1 2.41 0.01 . 2 . . . . . . . . 5797 1 611 . 1 1 85 85 ASP HB2 H 1 2.22 0.01 . 2 . . . . . . . . 5797 1 612 . 1 1 86 86 ARG H H 1 9.20 0.01 . 1 . . . . . . . . 5797 1 613 . 1 1 86 86 ARG N N 15 130.10 0.12 . 1 . . . . . . . . 5797 1 614 . 1 1 86 86 ARG C C 13 174.60 0.15 . 1 . . . . . . . . 5797 1 615 . 1 1 86 86 ARG CA C 13 56.50 0.15 . 1 . . . . . . . . 5797 1 616 . 1 1 86 86 ARG CB C 13 34.60 0.15 . 1 . . . . . . . . 5797 1 617 . 1 1 86 86 ARG HA H 1 4.47 0.01 . 1 . . . . . . . . 5797 1 618 . 1 1 86 86 ARG HB3 H 1 1.74 0.01 . 2 . . . . . . . . 5797 1 619 . 1 1 86 86 ARG HB2 H 1 1.67 0.01 . 2 . . . . . . . . 5797 1 620 . 1 1 86 86 ARG HG2 H 1 1.74 0.01 . 2 . . . . . . . . 5797 1 621 . 1 1 86 86 ARG HD2 H 1 3.19 0.01 . 2 . . . . . . . . 5797 1 622 . 1 1 87 87 ASN H H 1 9.46 0.01 . 1 . . . . . . . . 5797 1 623 . 1 1 87 87 ASN N N 15 124.30 0.12 . 1 . . . . . . . . 5797 1 624 . 1 1 87 87 ASN C C 13 174.90 0.15 . 1 . . . . . . . . 5797 1 625 . 1 1 87 87 ASN CA C 13 55.30 0.15 . 1 . . . . . . . . 5797 1 626 . 1 1 87 87 ASN CB C 13 34.70 0.15 . 1 . . . . . . . . 5797 1 627 . 1 1 87 87 ASN HA H 1 4.92 0.01 . 1 . . . . . . . . 5797 1 628 . 1 1 87 87 ASN HB2 H 1 3.05 0.01 . 2 . . . . . . . . 5797 1 629 . 1 1 88 88 GLY H H 1 6.74 0.01 . 1 . . . . . . . . 5797 1 630 . 1 1 88 88 GLY N N 15 113.10 0.12 . 1 . . . . . . . . 5797 1 631 . 1 1 88 88 GLY C C 13 175.60 0.15 . 1 . . . . . . . . 5797 1 632 . 1 1 88 88 GLY CA C 13 46.10 0.15 . 1 . . . . . . . . 5797 1 633 . 1 1 88 88 GLY HA2 H 1 4.27 0.01 . 2 . . . . . . . . 5797 1 634 . 1 1 88 88 GLY HA3 H 1 3.72 0.01 . 2 . . . . . . . . 5797 1 635 . 1 1 89 89 TYR H H 1 9.60 0.01 . 1 . . . . . . . . 5797 1 636 . 1 1 89 89 TYR N N 15 124.70 0.12 . 1 . . . . . . . . 5797 1 637 . 1 1 89 89 TYR C C 13 175.90 0.15 . 1 . . . . . . . . 5797 1 638 . 1 1 89 89 TYR CA C 13 56.90 0.15 . 1 . . . . . . . . 5797 1 639 . 1 1 89 89 TYR CB C 13 42.80 0.15 . 1 . . . . . . . . 5797 1 640 . 1 1 89 89 TYR HA H 1 4.53 0.01 . 1 . . . . . . . . 5797 1 641 . 1 1 89 89 TYR HB3 H 1 2.80 0.01 . 2 . . . . . . . . 5797 1 642 . 1 1 89 89 TYR HB2 H 1 2.94 0.01 . 2 . . . . . . . . 5797 1 643 . 1 1 90 90 TYR H H 1 9.04 0.01 . 1 . . . . . . . . 5797 1 644 . 1 1 90 90 TYR N N 15 125.80 0.12 . 1 . . . . . . . . 5797 1 645 . 1 1 90 90 TYR C C 13 176.70 0.15 . 1 . . . . . . . . 5797 1 646 . 1 1 90 90 TYR CA C 13 56.00 0.15 . 1 . . . . . . . . 5797 1 647 . 1 1 90 90 TYR CB C 13 40.80 0.15 . 1 . . . . . . . . 5797 1 648 . 1 1 90 90 TYR HA H 1 4.36 0.01 . 1 . . . . . . . . 5797 1 649 . 1 1 90 90 TYR HB3 H 1 3.12 0.01 . 2 . . . . . . . . 5797 1 650 . 1 1 90 90 TYR HB2 H 1 2.83 0.01 . 2 . . . . . . . . 5797 1 651 . 1 1 91 91 GLU H H 1 8.03 0.01 . 1 . . . . . . . . 5797 1 652 . 1 1 91 91 GLU N N 15 123.50 0.12 . 1 . . . . . . . . 5797 1 653 . 1 1 91 91 GLU C C 13 175.20 0.15 . 1 . . . . . . . . 5797 1 654 . 1 1 91 91 GLU CA C 13 53.30 0.15 . 1 . . . . . . . . 5797 1 655 . 1 1 91 91 GLU CB C 13 28.80 0.15 . 1 . . . . . . . . 5797 1 656 . 1 1 91 91 GLU HA H 1 4.73 0.01 . 1 . . . . . . . . 5797 1 657 . 1 1 91 91 GLU HB3 H 1 1.87 0.01 . 2 . . . . . . . . 5797 1 658 . 1 1 91 91 GLU HB2 H 1 2.15 0.01 . 2 . . . . . . . . 5797 1 659 . 1 1 91 91 GLU HG2 H 1 2.41 0.01 . 2 . . . . . . . . 5797 1 660 . 1 1 92 92 ILE H H 1 7.87 0.01 . 1 . . . . . . . . 5797 1 661 . 1 1 92 92 ILE N N 15 120.10 0.12 . 1 . . . . . . . . 5797 1 662 . 1 1 92 92 ILE C C 13 175.90 0.15 . 1 . . . . . . . . 5797 1 663 . 1 1 92 92 ILE CA C 13 59.10 0.15 . 1 . . . . . . . . 5797 1 664 . 1 1 92 92 ILE CB C 13 31.80 0.15 . 1 . . . . . . . . 5797 1 665 . 1 1 92 92 ILE HA H 1 4.57 0.01 . 1 . . . . . . . . 5797 1 666 . 1 1 92 92 ILE HB H 1 1.93 0.01 . 1 . . . . . . . . 5797 1 667 . 1 1 92 92 ILE HG21 H 1 0.81 0.01 . 1 . . . . . . . . 5797 1 668 . 1 1 92 92 ILE HG22 H 1 0.81 0.01 . 1 . . . . . . . . 5797 1 669 . 1 1 92 92 ILE HG23 H 1 0.81 0.01 . 1 . . . . . . . . 5797 1 670 . 1 1 92 92 ILE HG12 H 1 1.72 0.01 . 2 . . . . . . . . 5797 1 671 . 1 1 93 93 VAL H H 1 9.58 0.01 . 1 . . . . . . . . 5797 1 672 . 1 1 93 93 VAL N N 15 124.00 0.12 . 1 . . . . . . . . 5797 1 673 . 1 1 93 93 VAL C C 13 175.40 0.15 . 1 . . . . . . . . 5797 1 674 . 1 1 93 93 VAL CA C 13 62.60 0.15 . 1 . . . . . . . . 5797 1 675 . 1 1 93 93 VAL CB C 13 33.20 0.15 . 1 . . . . . . . . 5797 1 676 . 1 1 93 93 VAL HA H 1 4.78 0.01 . 1 . . . . . . . . 5797 1 677 . 1 1 93 93 VAL HB H 1 2.13 0.01 . 1 . . . . . . . . 5797 1 678 . 1 1 93 93 VAL HG11 H 1 0.90 0.01 . 2 . . . . . . . . 5797 1 679 . 1 1 93 93 VAL HG12 H 1 0.90 0.01 . 2 . . . . . . . . 5797 1 680 . 1 1 93 93 VAL HG13 H 1 0.90 0.01 . 2 . . . . . . . . 5797 1 681 . 1 1 93 93 VAL HG21 H 1 0.85 0.01 . 2 . . . . . . . . 5797 1 682 . 1 1 93 93 VAL HG22 H 1 0.85 0.01 . 2 . . . . . . . . 5797 1 683 . 1 1 93 93 VAL HG23 H 1 0.85 0.01 . 2 . . . . . . . . 5797 1 684 . 1 1 94 94 MET H H 1 8.38 0.01 . 1 . . . . . . . . 5797 1 685 . 1 1 94 94 MET N N 15 126.80 0.12 . 1 . . . . . . . . 5797 1 686 . 1 1 94 94 MET C C 13 173.80 0.15 . 1 . . . . . . . . 5797 1 687 . 1 1 94 94 MET CA C 13 54.00 0.15 . 1 . . . . . . . . 5797 1 688 . 1 1 94 94 MET CB C 13 33.40 0.15 . 1 . . . . . . . . 5797 1 689 . 1 1 94 94 MET HA H 1 4.67 0.01 . 1 . . . . . . . . 5797 1 690 . 1 1 94 94 MET HB3 H 1 2.22 0.01 . 2 . . . . . . . . 5797 1 691 . 1 1 94 94 MET HB2 H 1 2.10 0.01 . 2 . . . . . . . . 5797 1 692 . 1 1 94 94 MET HG3 H 1 2.11 0.01 . 2 . . . . . . . . 5797 1 693 . 1 1 94 94 MET HG2 H 1 2.49 0.01 . 2 . . . . . . . . 5797 1 694 . 1 1 95 95 LYS H H 1 8.87 0.01 . 1 . . . . . . . . 5797 1 695 . 1 1 95 95 LYS N N 15 125.50 0.12 . 1 . . . . . . . . 5797 1 696 . 1 1 95 95 LYS C C 13 175.90 0.15 . 1 . . . . . . . . 5797 1 697 . 1 1 95 95 LYS CA C 13 62.20 0.15 . 1 . . . . . . . . 5797 1 698 . 1 1 95 95 LYS CB C 13 34.40 0.15 . 1 . . . . . . . . 5797 1 699 . 1 1 95 95 LYS HA H 1 5.08 0.01 . 1 . . . . . . . . 5797 1 700 . 1 1 95 95 LYS HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5797 1 701 . 1 1 95 95 LYS HB2 H 1 1.89 0.01 . 2 . . . . . . . . 5797 1 702 . 1 1 95 95 LYS HG2 H 1 1.41 0.01 . 2 . . . . . . . . 5797 1 703 . 1 1 95 95 LYS HD2 H 1 1.70 0.01 . 2 . . . . . . . . 5797 1 704 . 1 1 95 95 LYS HE2 H 1 2.91 0.01 . 2 . . . . . . . . 5797 1 705 . 1 1 96 96 LYS H H 1 9.71 0.01 . 2 . . . . . . . . 5797 1 706 . 1 1 96 96 LYS N N 15 126.80 0.12 . 1 . . . . . . . . 5797 1 707 . 1 1 96 96 LYS C C 13 173.70 0.15 . 1 . . . . . . . . 5797 1 708 . 1 1 96 96 LYS CA C 13 54.40 0.15 . 1 . . . . . . . . 5797 1 709 . 1 1 96 96 LYS CB C 13 38.20 0.15 . 1 . . . . . . . . 5797 1 710 . 1 1 96 96 LYS HA H 1 4.64 0.01 . 1 . . . . . . . . 5797 1 711 . 1 1 96 96 LYS HB3 H 1 1.72 0.01 . 2 . . . . . . . . 5797 1 712 . 1 1 96 96 LYS HB2 H 1 1.64 0.01 . 2 . . . . . . . . 5797 1 713 . 1 1 96 96 LYS HG2 H 1 1.37 0.01 . 2 . . . . . . . . 5797 1 714 . 1 1 96 96 LYS HD2 H 1 1.57 0.01 . 2 . . . . . . . . 5797 1 715 . 1 1 96 96 LYS HE2 H 1 3.00 0.01 . 2 . . . . . . . . 5797 1 716 . 1 1 97 97 VAL H H 1 9.33 0.01 . 1 . . . . . . . . 5797 1 717 . 1 1 97 97 VAL N N 15 123.00 0.12 . 1 . . . . . . . . 5797 1 718 . 1 1 97 97 VAL C C 13 171.40 0.15 . 1 . . . . . . . . 5797 1 719 . 1 1 97 97 VAL CA C 13 55.70 0.15 . 1 . . . . . . . . 5797 1 720 . 1 1 97 97 VAL CB C 13 36.50 0.15 . 1 . . . . . . . . 5797 1 721 . 1 1 97 97 VAL HA H 1 4.16 0.01 . 1 . . . . . . . . 5797 1 722 . 1 1 97 97 VAL HB H 1 2.11 0.01 . 1 . . . . . . . . 5797 1 723 . 1 1 97 97 VAL HG11 H 1 0.72 0.01 . 2 . . . . . . . . 5797 1 724 . 1 1 97 97 VAL HG12 H 1 0.72 0.01 . 2 . . . . . . . . 5797 1 725 . 1 1 97 97 VAL HG13 H 1 0.72 0.01 . 2 . . . . . . . . 5797 1 726 . 1 1 97 97 VAL HG21 H 1 0.77 0.01 . 2 . . . . . . . . 5797 1 727 . 1 1 97 97 VAL HG22 H 1 0.77 0.01 . 2 . . . . . . . . 5797 1 728 . 1 1 97 97 VAL HG23 H 1 0.77 0.01 . 2 . . . . . . . . 5797 1 729 . 1 1 98 98 LYS H H 1 9.26 0.01 . 1 . . . . . . . . 5797 1 730 . 1 1 98 98 LYS N N 15 118.20 0.12 . 1 . . . . . . . . 5797 1 731 . 1 1 98 98 LYS CA C 13 56.70 0.15 . 1 . . . . . . . . 5797 1 732 . 1 1 98 98 LYS CB C 13 41.50 0.15 . 1 . . . . . . . . 5797 1 733 . 1 1 98 98 LYS HA H 1 3.83 0.01 . 1 . . . . . . . . 5797 1 734 . 1 1 98 98 LYS HB3 H 1 1.85 0.01 . 2 . . . . . . . . 5797 1 735 . 1 1 98 98 LYS HB2 H 1 1.67 0.01 . 2 . . . . . . . . 5797 1 736 . 1 1 98 98 LYS HG2 H 1 1.49 0.01 . 2 . . . . . . . . 5797 1 737 . 1 1 98 98 LYS HD2 H 1 1.73 0.01 . 2 . . . . . . . . 5797 1 738 . 1 1 98 98 LYS HE2 H 1 3.00 0.01 . 2 . . . . . . . . 5797 1 stop_ save_