data_7323 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 7323 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'Investigation of colicin immunity proteins and their noncognate complexes with the colicin E9 DNase domain' 'Structure analysis' 'Including structure determination of Im2 by multinuclear nmr' 7323 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . colicin 7323 1 . 'immunity protein' 7323 1 . NMR 7323 1 . 'non cognate complexes' 7323 1 . 'resonance assignments' 7323 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7323 _Entry.Title ; 1H, 13C and 15N nmr chemical shift assignments for the colicin immunity protein IM2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-10-24 _Entry.Accession_date 2006-10-24 _Entry.Last_release_date 2011-05-27 _Entry.Original_release_date 2011-05-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Ruth Boetzel . . . 7323 2 Bertrand Morel . . . 7323 3 Colin Macdonald . J. . 7323 4 Cecile 'Le Duff' . S. . 7323 5 Chris Spronk . A.E.M. . 7323 6 Alexandre Bonvin . J.J.M. . 7323 7 Richard James . . . 7323 8 Colin Kleanthous . . . 7323 9 Geoffrey Moore . R. . 7323 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . UEA . 7323 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7323 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 301 7323 '15N chemical shifts' 85 7323 '1H chemical shifts' 588 7323 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 . . 2011-05-27 2006-10-24 original author . 7323 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 4115 'homologous Immunity protein Im9 bound to DNase domain of colicin E9' 7323 BMRB 4116 'homologous Immunity protein Im9' 7323 BMRB 4293 'DNase domain of non cognate binding partner E9' 7323 BMRB 4352 'Im9 bound DNase domain of non cognate binding partner E9' 7323 PDB 2NO8 'BMRB Entry Tracking System' 7323 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 7323 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20479265 _Citation.Full_citation . _Citation.Title 'The structural and energetic basis for high selectivity in a high-affinity protein-protein interaction' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U S A.' _Citation.Journal_name_full . _Citation.Journal_volume 107 _Citation.Journal_issue 22 _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 10080 _Citation.Page_last 10085 _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Nicola Meenana . A.G. . 7323 1 2 Amit Sharmaa . . . 7323 1 3 Sarel Fleishmanb . J. . 7323 1 4 Colin MacDonaldc . J. . 7323 1 5 Bertrand Morelc . . . 7323 1 6 Ruth Boetzelc . . . 7323 1 7 Geoffrey Moorec . R. . 7323 1 8 David Bakerb . . . 7323 1 9 Colin Kleanthousa . . . 7323 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'non cognate immunity protein DNase complexes' 7323 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7323 _Assembly.ID 1 _Assembly.Name 'Colicin immunity protein IM2' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 9995 _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 protein 7323 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 'Colicin immunity protein IM2' 1 $colicin_immunity_protein . . yes native no no . . . 7323 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_colicin_immunity_protein _Entity.Sf_category entity _Entity.Sf_framecode colicin_immunity_protein _Entity.Entry_ID 7323 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name IM2 _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 ; MELKHSISDYTEAEFLEFVK KICRAEGATEEDDNKLVREF ERLTEHPDGSDLIYYPRDDR EDSPEGIVKEIKEWRAANGK SGFKQG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 86 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9995 _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 2NO8 . "Nmr Structure Analysis Of The Colicin Immuntiy Protein Im2" . . . . . 100.00 86 100.00 100.00 5.01e-55 . . . . 7323 1 2 no PDB 2WPT . "The Crystal Structure Of Im2 In Complex With Colicin E9 Dnase" . . . . . 100.00 86 97.67 97.67 2.01e-52 . . . . 7323 1 3 no PDB 3U43 . "Crystal Structure Of The Colicin E2 Dnase-Im2 Complex" . . . . . 100.00 94 100.00 100.00 4.10e-55 . . . . 7323 1 4 no EMBL CAA25610 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 86 100.00 100.00 5.01e-55 . . . . 7323 1 5 no EMBL CAA26146 . "unnamed protein product [Escherichia coli]" . . . . . 100.00 86 100.00 100.00 5.01e-55 . . . . 7323 1 6 no GB AAA23069 . "colicin immunity protein (ceiB) [Plasmid ColE2]" . . . . . 100.00 86 100.00 100.00 5.01e-55 . . . . 7323 1 7 no GB AAN28374 . "colicin immunity protein [Escherichia coli]" . . . . . 100.00 86 98.84 98.84 3.72e-54 . . . . 7323 1 8 no GB ABI95491 . "Imm [Escherichia coli]" . . . . . 100.00 86 100.00 100.00 5.01e-55 . . . . 7323 1 9 no GB ACH81154 . "micricin-E2 immunity protein [Escherichia coli]" . . . . . 100.00 86 100.00 100.00 5.01e-55 . . . . 7323 1 10 no GB EDV85355 . "colicin-E7 immunity protein [Escherichia coli E110019]" . . . . . 100.00 86 100.00 100.00 5.01e-55 . . . . 7323 1 11 no REF WP_000420691 . "colicin immunity protein ImmE2, partial [Escherichia coli]" . . . . . 90.70 78 100.00 100.00 1.38e-48 . . . . 7323 1 12 no REF WP_000420692 . "MULTISPECIES: colicin transporter [Enterobacteriaceae]" . . . . . 100.00 86 98.84 98.84 3.72e-54 . . . . 7323 1 13 no REF WP_000420693 . "colicin transporter [Escherichia coli]" . . . . . 100.00 86 100.00 100.00 5.01e-55 . . . . 7323 1 14 no REF WP_024222287 . "colicin immunity protein, partial [Escherichia coli]" . . . . . 66.28 57 100.00 100.00 2.33e-32 . . . . 7323 1 15 no REF WP_032311204 . "colicin immunity protein, partial [Escherichia coli]" . . . . . 70.93 61 100.00 100.00 7.64e-35 . . . . 7323 1 16 no SP P04482 . "RecName: Full=Colicin-E2 immunity protein; AltName: Full=ImmE2; AltName: Full=Microcin-E2 immunity protein [Escherichia coli]" . . . . . 100.00 86 100.00 100.00 5.01e-55 . . . . 7323 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'colicin immunity protein IM2' . 7323 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID IM2 7323 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 . 7323 1 2 . GLU . 7323 1 3 . LEU . 7323 1 4 . LYS . 7323 1 5 . HIS . 7323 1 6 . SER . 7323 1 7 . ILE . 7323 1 8 . SER . 7323 1 9 . ASP . 7323 1 10 . TYR . 7323 1 11 . THR . 7323 1 12 . GLU . 7323 1 13 . ALA . 7323 1 14 . GLU . 7323 1 15 . PHE . 7323 1 16 . LEU . 7323 1 17 . GLU . 7323 1 18 . PHE . 7323 1 19 . VAL . 7323 1 20 . LYS . 7323 1 21 . LYS . 7323 1 22 . ILE . 7323 1 23 . CYS . 7323 1 24 . ARG . 7323 1 25 . ALA . 7323 1 26 . GLU . 7323 1 27 . GLY . 7323 1 28 . ALA . 7323 1 29 . THR . 7323 1 30 . GLU . 7323 1 31 . GLU . 7323 1 32 . ASP . 7323 1 33 . ASP . 7323 1 34 . ASN . 7323 1 35 . LYS . 7323 1 36 . LEU . 7323 1 37 . VAL . 7323 1 38 . ARG . 7323 1 39 . GLU . 7323 1 40 . PHE . 7323 1 41 . GLU . 7323 1 42 . ARG . 7323 1 43 . LEU . 7323 1 44 . THR . 7323 1 45 . GLU . 7323 1 46 . HIS . 7323 1 47 . PRO . 7323 1 48 . ASP . 7323 1 49 . GLY . 7323 1 50 . SER . 7323 1 51 . ASP . 7323 1 52 . LEU . 7323 1 53 . ILE . 7323 1 54 . TYR . 7323 1 55 . TYR . 7323 1 56 . PRO . 7323 1 57 . ARG . 7323 1 58 . ASP . 7323 1 59 . ASP . 7323 1 60 . ARG . 7323 1 61 . GLU . 7323 1 62 . ASP . 7323 1 63 . SER . 7323 1 64 . PRO . 7323 1 65 . GLU . 7323 1 66 . GLY . 7323 1 67 . ILE . 7323 1 68 . VAL . 7323 1 69 . LYS . 7323 1 70 . GLU . 7323 1 71 . ILE . 7323 1 72 . LYS . 7323 1 73 . GLU . 7323 1 74 . TRP . 7323 1 75 . ARG . 7323 1 76 . ALA . 7323 1 77 . ALA . 7323 1 78 . ASN . 7323 1 79 . GLY . 7323 1 80 . LYS . 7323 1 81 . SER . 7323 1 82 . GLY . 7323 1 83 . PHE . 7323 1 84 . LYS . 7323 1 85 . GLN . 7323 1 86 . GLY . 7323 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 7323 1 . GLU 2 2 7323 1 . LEU 3 3 7323 1 . LYS 4 4 7323 1 . HIS 5 5 7323 1 . SER 6 6 7323 1 . ILE 7 7 7323 1 . SER 8 8 7323 1 . ASP 9 9 7323 1 . TYR 10 10 7323 1 . THR 11 11 7323 1 . GLU 12 12 7323 1 . ALA 13 13 7323 1 . GLU 14 14 7323 1 . PHE 15 15 7323 1 . LEU 16 16 7323 1 . GLU 17 17 7323 1 . PHE 18 18 7323 1 . VAL 19 19 7323 1 . LYS 20 20 7323 1 . LYS 21 21 7323 1 . ILE 22 22 7323 1 . CYS 23 23 7323 1 . ARG 24 24 7323 1 . ALA 25 25 7323 1 . GLU 26 26 7323 1 . GLY 27 27 7323 1 . ALA 28 28 7323 1 . THR 29 29 7323 1 . GLU 30 30 7323 1 . GLU 31 31 7323 1 . ASP 32 32 7323 1 . ASP 33 33 7323 1 . ASN 34 34 7323 1 . LYS 35 35 7323 1 . LEU 36 36 7323 1 . VAL 37 37 7323 1 . ARG 38 38 7323 1 . GLU 39 39 7323 1 . PHE 40 40 7323 1 . GLU 41 41 7323 1 . ARG 42 42 7323 1 . LEU 43 43 7323 1 . THR 44 44 7323 1 . GLU 45 45 7323 1 . HIS 46 46 7323 1 . PRO 47 47 7323 1 . ASP 48 48 7323 1 . GLY 49 49 7323 1 . SER 50 50 7323 1 . ASP 51 51 7323 1 . LEU 52 52 7323 1 . ILE 53 53 7323 1 . TYR 54 54 7323 1 . TYR 55 55 7323 1 . PRO 56 56 7323 1 . ARG 57 57 7323 1 . ASP 58 58 7323 1 . ASP 59 59 7323 1 . ARG 60 60 7323 1 . GLU 61 61 7323 1 . ASP 62 62 7323 1 . SER 63 63 7323 1 . PRO 64 64 7323 1 . GLU 65 65 7323 1 . GLY 66 66 7323 1 . ILE 67 67 7323 1 . VAL 68 68 7323 1 . LYS 69 69 7323 1 . GLU 70 70 7323 1 . ILE 71 71 7323 1 . LYS 72 72 7323 1 . GLU 73 73 7323 1 . TRP 74 74 7323 1 . ARG 75 75 7323 1 . ALA 76 76 7323 1 . ALA 77 77 7323 1 . ASN 78 78 7323 1 . GLY 79 79 7323 1 . LYS 80 80 7323 1 . SER 81 81 7323 1 . GLY 82 82 7323 1 . PHE 83 83 7323 1 . LYS 84 84 7323 1 . GLN 85 85 7323 1 . GLY 86 86 7323 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 7323 _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 $colicin_immunity_protein . 562 . no . 'E. coli' 'E. coli' . Eubacteria . Escherichica coli . . . . . . . . . . . . . . . . . . . . . 7323 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 7323 _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 $colicin_immunity_protein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7323 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7323 _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 IM2 '[U-100% 13C; U-100% 15N]' . . 1 $colicin_immunity_protein . . 1.8 . . mM . . . . 7323 1 2 'Sodium Azide' . . . . . . . 14 . . mM . . . . 7323 1 3 DTT . . . . . . . 5 . . mM . . . . 7323 1 4 'Potassium Phosphate' . . . . . . . 50 . . mM . . . . 7323 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7323 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1.8mM solution of protein at 25C, buffered to pH 6.2 with 50 mM phosphate and stabilised with azide' 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 6.2 0.05 pH 7323 1 temperature 298 0.05 K 7323 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 7323 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 7323 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7323 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 1H15N_HSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7323 1 2 CBCA(CO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7323 1 3 HBHA(CBCACO)NH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7323 1 4 HCCH-TOCSY no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7323 1 5 HNCACB no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7323 1 6 HN(CA)HA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7323 1 7 15N_NOESYHSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7323 1 8 13C_NOESYHSQC no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . . . . . . . . . . . . . . . . . . . 7323 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7323 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7323 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7323 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7323 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7323 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.015 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 1H15N_HSQC 1 $sample_1 isotropic 7323 1 2 CBCA(CO)NH 1 $sample_1 isotropic 7323 1 3 HBHA(CBCACO)NH 1 $sample_1 isotropic 7323 1 4 HCCH-TOCSY 1 $sample_1 isotropic 7323 1 5 HNCACB 1 $sample_1 isotropic 7323 1 6 HN(CA)HA 1 $sample_1 isotropic 7323 1 7 15N_NOESYHSQC 1 $sample_1 isotropic 7323 1 8 13C_NOESYHSQC 1 $sample_1 isotropic 7323 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 2 2 GLU HA H 1 4.351 0.015 . 1 . . . . 2 GLU HA . 7323 1 2 . 1 1 2 2 GLU HB2 H 1 1.977 0.015 . 1 . . . . 2 GLU HB2 . 7323 1 3 . 1 1 2 2 GLU HB3 H 1 1.885 0.015 . 1 . . . . 2 GLU HB3 . 7323 1 4 . 1 1 2 2 GLU HG2 H 1 2.220 0.015 . 2 . . . . 2 GLU QG . 7323 1 5 . 1 1 2 2 GLU HG3 H 1 2.220 0.015 . 2 . . . . 2 GLU QG . 7323 1 6 . 1 1 2 2 GLU CA C 13 56.111 0.3 . 1 . . . . 2 GLU CA . 7323 1 7 . 1 1 2 2 GLU CB C 13 30.473 0.3 . 1 . . . . 2 GLU CB . 7323 1 8 . 1 1 2 2 GLU CG C 13 36.168 0.3 . 1 . . . . 2 GLU CG . 7323 1 9 . 1 1 3 3 LEU H H 1 8.489 0.015 . 1 . . . . 3 LEU HN . 7323 1 10 . 1 1 3 3 LEU HA H 1 4.298 0.015 . 1 . . . . 3 LEU HA . 7323 1 11 . 1 1 3 3 LEU HB2 H 1 1.563 0.015 . 1 . . . . 3 LEU HB2 . 7323 1 12 . 1 1 3 3 LEU HB3 H 1 1.423 0.015 . 1 . . . . 3 LEU HB3 . 7323 1 13 . 1 1 3 3 LEU HG H 1 1.560 0.015 . 1 . . . . 3 LEU HG . 7323 1 14 . 1 1 3 3 LEU HD11 H 1 0.891 0.015 . 2 . . . . 3 LEU QD1 . 7323 1 15 . 1 1 3 3 LEU HD12 H 1 0.891 0.015 . 2 . . . . 3 LEU QD1 . 7323 1 16 . 1 1 3 3 LEU HD13 H 1 0.891 0.015 . 2 . . . . 3 LEU QD1 . 7323 1 17 . 1 1 3 3 LEU HD21 H 1 0.822 0.015 . 2 . . . . 3 LEU QD2 . 7323 1 18 . 1 1 3 3 LEU HD22 H 1 0.822 0.015 . 2 . . . . 3 LEU QD2 . 7323 1 19 . 1 1 3 3 LEU HD23 H 1 0.822 0.015 . 2 . . . . 3 LEU QD2 . 7323 1 20 . 1 1 3 3 LEU CA C 13 54.834 0.3 . 1 . . . . 3 LEU CA . 7323 1 21 . 1 1 3 3 LEU CB C 13 42.153 0.3 . 1 . . . . 3 LEU CB . 7323 1 22 . 1 1 3 3 LEU CG C 13 27.050 0.3 . 1 . . . . 3 LEU CG . 7323 1 23 . 1 1 3 3 LEU CD1 C 13 24.909 0.3 . 1 . . . . 3 LEU CD1 . 7323 1 24 . 1 1 3 3 LEU CD2 C 13 23.490 0.3 . 1 . . . . 3 LEU CD2 . 7323 1 25 . 1 1 3 3 LEU N N 15 125.033 0.3 . 1 . . . . 3 LEU N . 7323 1 26 . 1 1 4 4 LYS H H 1 8.146 0.015 . 1 . . . . 4 LYS HN . 7323 1 27 . 1 1 4 4 LYS HA H 1 4.290 0.015 . 1 . . . . 4 LYS HA . 7323 1 28 . 1 1 4 4 LYS HB2 H 1 1.582 0.015 . 1 . . . . 4 LYS HB2 . 7323 1 29 . 1 1 4 4 LYS HB3 H 1 1.504 0.015 . 1 . . . . 4 LYS HB3 . 7323 1 30 . 1 1 4 4 LYS HG2 H 1 1.044 0.015 . 2 . . . . 4 LYS QG . 7323 1 31 . 1 1 4 4 LYS HG3 H 1 1.044 0.015 . 2 . . . . 4 LYS QG . 7323 1 32 . 1 1 4 4 LYS HD2 H 1 0.826 0.015 . 1 . . . . 4 LYS HD2 . 7323 1 33 . 1 1 4 4 LYS HD3 H 1 0.600 0.015 . 1 . . . . 4 LYS HD3 . 7323 1 34 . 1 1 4 4 LYS HE2 H 1 2.546 0.015 . 1 . . . . 4 LYS HE2 . 7323 1 35 . 1 1 4 4 LYS HE3 H 1 2.473 0.015 . 1 . . . . 4 LYS HE3 . 7323 1 36 . 1 1 4 4 LYS CA C 13 55.330 0.3 . 1 . . . . 4 LYS CA . 7323 1 37 . 1 1 4 4 LYS CB C 13 33.463 0.3 . 1 . . . . 4 LYS CB . 7323 1 38 . 1 1 4 4 LYS CG C 13 25.056 0.3 . 1 . . . . 4 LYS CG . 7323 1 39 . 1 1 4 4 LYS CD C 13 28.616 0.3 . 1 . . . . 4 LYS CD . 7323 1 40 . 1 1 4 4 LYS CE C 13 42.293 0.3 . 1 . . . . 4 LYS CE . 7323 1 41 . 1 1 4 4 LYS N N 15 122.100 0.3 . 1 . . . . 4 LYS N . 7323 1 42 . 1 1 5 5 HIS H H 1 8.815 0.015 . 1 . . . . 5 HIS HN . 7323 1 43 . 1 1 5 5 HIS HA H 1 4.563 0.015 . 1 . . . . 5 HIS HA . 7323 1 44 . 1 1 5 5 HIS HB2 H 1 3.297 0.015 . 1 . . . . 5 HIS HB2 . 7323 1 45 . 1 1 5 5 HIS HB3 H 1 3.208 0.015 . 1 . . . . 5 HIS HB3 . 7323 1 46 . 1 1 5 5 HIS HD2 H 1 7.230 0.015 . 1 . . . . 5 HIS HD2 . 7323 1 47 . 1 1 5 5 HIS HE1 H 1 8.266 0.015 . 1 . . . . 5 HIS HE1 . 7323 1 48 . 1 1 5 5 HIS CA C 13 58.112 0.3 . 1 . . . . 5 HIS CA . 7323 1 49 . 1 1 5 5 HIS CB C 13 30.473 0.3 . 1 . . . . 5 HIS CB . 7323 1 50 . 1 1 5 5 HIS CD2 C 13 120.114 0.3 . 1 . . . . 5 HIS CD2 . 7323 1 51 . 1 1 5 5 HIS CE1 C 13 137.228 0.3 . 1 . . . . 5 HIS CE1 . 7323 1 52 . 1 1 5 5 HIS N N 15 120.682 0.3 . 1 . . . . 5 HIS N . 7323 1 53 . 1 1 6 6 SER H H 1 8.612 0.015 . 1 . . . . 6 SER HN . 7323 1 54 . 1 1 6 6 SER HA H 1 4.835 0.015 . 1 . . . . 6 SER HA . 7323 1 55 . 1 1 6 6 SER HB2 H 1 3.875 0.015 . 1 . . . . 6 SER HB2 . 7323 1 56 . 1 1 6 6 SER HB3 H 1 3.700 0.015 . 1 . . . . 6 SER HB3 . 7323 1 57 . 1 1 6 6 SER CA C 13 56.410 0.3 . 1 . . . . 6 SER CA . 7323 1 58 . 1 1 6 6 SER CB C 13 65.957 0.3 . 1 . . . . 6 SER CB . 7323 1 59 . 1 1 6 6 SER N N 15 114.108 0.3 . 1 . . . . 6 SER N . 7323 1 60 . 1 1 7 7 ILE H H 1 9.400 0.015 . 1 . . . . 7 ILE HN . 7323 1 61 . 1 1 7 7 ILE HA H 1 3.957 0.015 . 1 . . . . 7 ILE HA . 7323 1 62 . 1 1 7 7 ILE HB H 1 1.522 0.015 . 1 . . . . 7 ILE HB . 7323 1 63 . 1 1 7 7 ILE HG12 H 1 0.885 0.015 . 1 . . . . 7 ILE HG12 . 7323 1 64 . 1 1 7 7 ILE HG13 H 1 0.794 0.015 . 1 . . . . 7 ILE HG13 . 7323 1 65 . 1 1 7 7 ILE HG21 H 1 0.429 0.015 . 1 . . . . 7 ILE QG2 . 7323 1 66 . 1 1 7 7 ILE HG22 H 1 0.429 0.015 . 1 . . . . 7 ILE QG2 . 7323 1 67 . 1 1 7 7 ILE HG23 H 1 0.429 0.015 . 1 . . . . 7 ILE QG2 . 7323 1 68 . 1 1 7 7 ILE HD11 H 1 -0.192 0.015 . 1 . . . . 7 ILE 1 . 7323 1 69 . 1 1 7 7 ILE HD12 H 1 -0.192 0.015 . 1 . . . . 7 ILE 1 . 7323 1 70 . 1 1 7 7 ILE HD13 H 1 -0.192 0.015 . 1 . . . . 7 ILE 1 . 7323 1 71 . 1 1 7 7 ILE CA C 13 65.099 0.3 . 1 . . . . 7 ILE CA . 7323 1 72 . 1 1 7 7 ILE CB C 13 37.150 0.3 . 1 . . . . 7 ILE CB . 7323 1 73 . 1 1 7 7 ILE CG1 C 13 30.331 0.3 . 1 . . . . 7 ILE CG1 . 7323 1 74 . 1 1 7 7 ILE CG2 C 13 15.224 0.3 . 1 . . . . 7 ILE CG2 . 7323 1 75 . 1 1 7 7 ILE CD1 C 13 13.511 0.3 . 1 . . . . 7 ILE CD1 . 7323 1 76 . 1 1 7 7 ILE N N 15 126.254 0.3 . 1 . . . . 7 ILE N . 7323 1 77 . 1 1 8 8 SER H H 1 7.535 0.015 . 1 . . . . 8 SER HN . 7323 1 78 . 1 1 8 8 SER HA H 1 4.740 0.015 . 1 . . . . 8 SER HA . 7323 1 79 . 1 1 8 8 SER HB2 H 1 3.941 0.015 . 1 . . . . 8 SER HB2 . 7323 1 80 . 1 1 8 8 SER HB3 H 1 3.814 0.015 . 1 . . . . 8 SER HB3 . 7323 1 81 . 1 1 8 8 SER CA C 13 59.291 0.3 . 1 . . . . 8 SER CA . 7323 1 82 . 1 1 8 8 SER CB C 13 63.160 0.3 . 1 . . . . 8 SER CB . 7323 1 83 . 1 1 8 8 SER N N 15 113.151 0.3 . 1 . . . . 8 SER N . 7323 1 84 . 1 1 9 9 ASP H H 1 7.948 0.015 . 1 . . . . 9 ASP HN . 7323 1 85 . 1 1 9 9 ASP HA H 1 4.778 0.015 . 1 . . . . 9 ASP HA . 7323 1 86 . 1 1 9 9 ASP HB2 H 1 2.841 0.015 . 2 . . . . 9 ASP QB . 7323 1 87 . 1 1 9 9 ASP HB3 H 1 2.841 0.015 . 2 . . . . 9 ASP QB . 7323 1 88 . 1 1 9 9 ASP CA C 13 55.258 0.3 . 1 . . . . 9 ASP CA . 7323 1 89 . 1 1 9 9 ASP CB C 13 42.321 0.3 . 1 . . . . 9 ASP CB . 7323 1 90 . 1 1 9 9 ASP N N 15 118.127 0.3 . 1 . . . . 9 ASP N . 7323 1 91 . 1 1 10 10 TYR H H 1 8.352 0.015 . 1 . . . . 10 TYR HN . 7323 1 92 . 1 1 10 10 TYR HA H 1 4.823 0.015 . 1 . . . . 10 TYR HA . 7323 1 93 . 1 1 10 10 TYR HB2 H 1 3.588 0.015 . 1 . . . . 10 TYR HB2 . 7323 1 94 . 1 1 10 10 TYR HB3 H 1 3.412 0.015 . 1 . . . . 10 TYR HB3 . 7323 1 95 . 1 1 10 10 TYR HD1 H 1 7.252 0.015 . 3 . . . . 10 TYR QD . 7323 1 96 . 1 1 10 10 TYR HD2 H 1 7.252 0.015 . 3 . . . . 10 TYR QD . 7323 1 97 . 1 1 10 10 TYR HE1 H 1 6.570 0.015 . 3 . . . . 10 TYR QE . 7323 1 98 . 1 1 10 10 TYR HE2 H 1 6.570 0.015 . 3 . . . . 10 TYR QE . 7323 1 99 . 1 1 10 10 TYR CA C 13 57.961 0.3 . 1 . . . . 10 TYR CA . 7323 1 100 . 1 1 10 10 TYR CB C 13 40.159 0.3 . 1 . . . . 10 TYR CB . 7323 1 101 . 1 1 10 10 TYR CD1 C 13 132.983 0.3 . 3 . . . . 10 TYR CD1 . 7323 1 102 . 1 1 10 10 TYR CD2 C 13 132.983 0.3 . 3 . . . . 10 TYR CD2 . 7323 1 103 . 1 1 10 10 TYR CE1 C 13 118.435 0.3 . 3 . . . . 10 TYR CE1 . 7323 1 104 . 1 1 10 10 TYR CE2 C 13 118.435 0.3 . 3 . . . . 10 TYR CE2 . 7323 1 105 . 1 1 10 10 TYR N N 15 121.210 0.3 . 1 . . . . 10 TYR N . 7323 1 106 . 1 1 11 11 THR H H 1 8.902 0.015 . 1 . . . . 11 THR HN . 7323 1 107 . 1 1 11 11 THR HA H 1 5.011 0.015 . 1 . . . . 11 THR HA . 7323 1 108 . 1 1 11 11 THR HB H 1 4.675 0.015 . 1 . . . . 11 THR HB . 7323 1 109 . 1 1 11 11 THR HG21 H 1 1.214 0.015 . 1 . . . . 11 THR QG2 . 7323 1 110 . 1 1 11 11 THR HG22 H 1 1.214 0.015 . 1 . . . . 11 THR QG2 . 7323 1 111 . 1 1 11 11 THR HG23 H 1 1.214 0.015 . 1 . . . . 11 THR QG2 . 7323 1 112 . 1 1 11 11 THR CA C 13 60.960 0.3 . 1 . . . . 11 THR CA . 7323 1 113 . 1 1 11 11 THR CB C 13 70.669 0.3 . 1 . . . . 11 THR CB . 7323 1 114 . 1 1 11 11 THR CG2 C 13 21.909 0.3 . 1 . . . . 11 THR CG2 . 7323 1 115 . 1 1 11 11 THR N N 15 112.523 0.3 . 1 . . . . 11 THR N . 7323 1 116 . 1 1 12 12 GLU H H 1 9.286 0.015 . 1 . . . . 12 GLU HN . 7323 1 117 . 1 1 12 12 GLU HA H 1 2.377 0.015 . 1 . . . . 12 GLU HA . 7323 1 118 . 1 1 12 12 GLU HB2 H 1 1.815 0.015 . 1 . . . . 12 GLU HB2 . 7323 1 119 . 1 1 12 12 GLU HB3 H 1 1.765 0.015 . 1 . . . . 12 GLU HB3 . 7323 1 120 . 1 1 12 12 GLU HG2 H 1 1.991 0.015 . 1 . . . . 12 GLU HG2 . 7323 1 121 . 1 1 12 12 GLU HG3 H 1 1.711 0.015 . 1 . . . . 12 GLU HG3 . 7323 1 122 . 1 1 12 12 GLU CA C 13 60.385 0.3 . 1 . . . . 12 GLU CA . 7323 1 123 . 1 1 12 12 GLU CB C 13 29.124 0.3 . 1 . . . . 12 GLU CB . 7323 1 124 . 1 1 12 12 GLU CG C 13 35.601 0.3 . 1 . . . . 12 GLU CG . 7323 1 125 . 1 1 12 12 GLU N N 15 124.494 0.3 . 1 . . . . 12 GLU N . 7323 1 126 . 1 1 13 13 ALA H H 1 8.348 0.015 . 1 . . . . 13 ALA HN . 7323 1 127 . 1 1 13 13 ALA HA H 1 4.095 0.015 . 1 . . . . 13 ALA HA . 7323 1 128 . 1 1 13 13 ALA HB1 H 1 1.410 0.015 . 1 . . . . 13 ALA QB . 7323 1 129 . 1 1 13 13 ALA HB2 H 1 1.410 0.015 . 1 . . . . 13 ALA QB . 7323 1 130 . 1 1 13 13 ALA HB3 H 1 1.410 0.015 . 1 . . . . 13 ALA QB . 7323 1 131 . 1 1 13 13 ALA CA C 13 55.117 0.3 . 1 . . . . 13 ALA CA . 7323 1 132 . 1 1 13 13 ALA CB C 13 18.360 0.3 . 1 . . . . 13 ALA CB . 7323 1 133 . 1 1 13 13 ALA N N 15 118.915 0.3 . 1 . . . . 13 ALA N . 7323 1 134 . 1 1 14 14 GLU H H 1 7.988 0.015 . 1 . . . . 14 GLU HN . 7323 1 135 . 1 1 14 14 GLU HA H 1 4.111 0.015 . 1 . . . . 14 GLU HA . 7323 1 136 . 1 1 14 14 GLU HB2 H 1 2.636 0.015 . 1 . . . . 14 GLU HB2 . 7323 1 137 . 1 1 14 14 GLU HB3 H 1 2.238 0.015 . 1 . . . . 14 GLU HB3 . 7323 1 138 . 1 1 14 14 GLU HG2 H 1 2.502 0.015 . 1 . . . . 14 GLU HG2 . 7323 1 139 . 1 1 14 14 GLU HG3 H 1 2.345 0.015 . 1 . . . . 14 GLU HG3 . 7323 1 140 . 1 1 14 14 GLU CA C 13 58.741 0.3 . 1 . . . . 14 GLU CA . 7323 1 141 . 1 1 14 14 GLU CB C 13 31.323 0.3 . 1 . . . . 14 GLU CB . 7323 1 142 . 1 1 14 14 GLU CG C 13 37.017 0.3 . 1 . . . . 14 GLU CG . 7323 1 143 . 1 1 14 14 GLU N N 15 118.961 0.3 . 1 . . . . 14 GLU N . 7323 1 144 . 1 1 15 15 PHE H H 1 8.984 0.015 . 1 . . . . 15 PHE HN . 7323 1 145 . 1 1 15 15 PHE HA H 1 4.144 0.015 . 1 . . . . 15 PHE HA . 7323 1 146 . 1 1 15 15 PHE HB2 H 1 2.944 0.015 . 1 . . . . 15 PHE HB2 . 7323 1 147 . 1 1 15 15 PHE HB3 H 1 2.724 0.015 . 1 . . . . 15 PHE HB3 . 7323 1 148 . 1 1 15 15 PHE HD1 H 1 6.708 0.015 . 3 . . . . 15 PHE QD . 7323 1 149 . 1 1 15 15 PHE HD2 H 1 6.708 0.015 . 3 . . . . 15 PHE QD . 7323 1 150 . 1 1 15 15 PHE HE1 H 1 6.970 0.015 . 3 . . . . 15 PHE QE . 7323 1 151 . 1 1 15 15 PHE HE2 H 1 6.970 0.015 . 3 . . . . 15 PHE QE . 7323 1 152 . 1 1 15 15 PHE HZ H 1 6.920 0.015 . 1 . . . . 15 PHE HZ . 7323 1 153 . 1 1 15 15 PHE CA C 13 62.241 0.3 . 1 . . . . 15 PHE CA . 7323 1 154 . 1 1 15 15 PHE CB C 13 40.301 0.3 . 1 . . . . 15 PHE CB . 7323 1 155 . 1 1 15 15 PHE CD1 C 13 132.160 0.3 . 3 . . . . 15 PHE CD1 . 7323 1 156 . 1 1 15 15 PHE CD2 C 13 132.160 0.3 . 3 . . . . 15 PHE CD2 . 7323 1 157 . 1 1 15 15 PHE CE1 C 13 130.558 0.3 . 3 . . . . 15 PHE CE1 . 7323 1 158 . 1 1 15 15 PHE CE2 C 13 130.558 0.3 . 3 . . . . 15 PHE CE2 . 7323 1 159 . 1 1 15 15 PHE CZ C 13 128.630 0.3 . 1 . . . . 15 PHE CZ . 7323 1 160 . 1 1 15 15 PHE N N 15 123.683 0.3 . 1 . . . . 15 PHE N . 7323 1 161 . 1 1 16 16 LEU H H 1 8.960 0.015 . 1 . . . . 16 LEU HN . 7323 1 162 . 1 1 16 16 LEU HA H 1 3.944 0.015 . 1 . . . . 16 LEU HA . 7323 1 163 . 1 1 16 16 LEU HB2 H 1 2.115 0.015 . 1 . . . . 16 LEU HB2 . 7323 1 164 . 1 1 16 16 LEU HB3 H 1 1.630 0.015 . 1 . . . . 16 LEU HB3 . 7323 1 165 . 1 1 16 16 LEU HG H 1 1.449 0.015 . 1 . . . . 16 LEU HG . 7323 1 166 . 1 1 16 16 LEU HD11 H 1 1.010 0.015 . 2 . . . . 16 LEU QD1 . 7323 1 167 . 1 1 16 16 LEU HD12 H 1 1.010 0.015 . 2 . . . . 16 LEU QD1 . 7323 1 168 . 1 1 16 16 LEU HD13 H 1 1.010 0.015 . 2 . . . . 16 LEU QD1 . 7323 1 169 . 1 1 16 16 LEU HD21 H 1 0.839 0.015 . 2 . . . . 16 LEU QD2 . 7323 1 170 . 1 1 16 16 LEU HD22 H 1 0.839 0.015 . 2 . . . . 16 LEU QD2 . 7323 1 171 . 1 1 16 16 LEU HD23 H 1 0.839 0.015 . 2 . . . . 16 LEU QD2 . 7323 1 172 . 1 1 16 16 LEU CA C 13 58.642 0.3 . 1 . . . . 16 LEU CA . 7323 1 173 . 1 1 16 16 LEU CB C 13 40.865 0.3 . 1 . . . . 16 LEU CB . 7323 1 174 . 1 1 16 16 LEU CG C 13 27.479 0.3 . 1 . . . . 16 LEU CG . 7323 1 175 . 1 1 16 16 LEU CD1 C 13 25.627 0.3 . 1 . . . . 16 LEU CD1 . 7323 1 176 . 1 1 16 16 LEU CD2 C 13 23.914 0.3 . 1 . . . . 16 LEU CD2 . 7323 1 177 . 1 1 16 16 LEU N N 15 120.732 0.3 . 1 . . . . 16 LEU N . 7323 1 178 . 1 1 17 17 GLU H H 1 7.670 0.015 . 1 . . . . 17 GLU HN . 7323 1 179 . 1 1 17 17 GLU HA H 1 3.923 0.015 . 1 . . . . 17 GLU HA . 7323 1 180 . 1 1 17 17 GLU HB2 H 1 2.174 0.015 . 2 . . . . 17 GLU QB . 7323 1 181 . 1 1 17 17 GLU HB3 H 1 2.174 0.015 . 2 . . . . 17 GLU QB . 7323 1 182 . 1 1 17 17 GLU HG2 H 1 2.405 0.015 . 2 . . . . 17 GLU QG . 7323 1 183 . 1 1 17 17 GLU HG3 H 1 2.405 0.015 . 2 . . . . 17 GLU QG . 7323 1 184 . 1 1 17 17 GLU CA C 13 59.462 0.3 . 1 . . . . 17 GLU CA . 7323 1 185 . 1 1 17 17 GLU CB C 13 29.105 0.3 . 1 . . . . 17 GLU CB . 7323 1 186 . 1 1 17 17 GLU CG C 13 35.938 0.3 . 1 . . . . 17 GLU CG . 7323 1 187 . 1 1 17 17 GLU N N 15 117.377 0.3 . 1 . . . . 17 GLU N . 7323 1 188 . 1 1 18 18 PHE H H 1 7.538 0.015 . 1 . . . . 18 PHE HN . 7323 1 189 . 1 1 18 18 PHE HA H 1 4.365 0.015 . 1 . . . . 18 PHE HA . 7323 1 190 . 1 1 18 18 PHE HB2 H 1 3.179 0.015 . 2 . . . . 18 PHE QB . 7323 1 191 . 1 1 18 18 PHE HB3 H 1 3.179 0.015 . 2 . . . . 18 PHE QB . 7323 1 192 . 1 1 18 18 PHE HD1 H 1 6.957 0.015 . 3 . . . . 18 PHE QD . 7323 1 193 . 1 1 18 18 PHE HD2 H 1 6.957 0.015 . 3 . . . . 18 PHE QD . 7323 1 194 . 1 1 18 18 PHE HE1 H 1 7.165 0.015 . 3 . . . . 18 PHE QE . 7323 1 195 . 1 1 18 18 PHE HE2 H 1 7.165 0.015 . 3 . . . . 18 PHE QE . 7323 1 196 . 1 1 18 18 PHE HZ H 1 6.936 0.015 . 1 . . . . 18 PHE HZ . 7323 1 197 . 1 1 18 18 PHE CA C 13 60.349 0.3 . 1 . . . . 18 PHE CA . 7323 1 198 . 1 1 18 18 PHE CB C 13 38.667 0.3 . 1 . . . . 18 PHE CB . 7323 1 199 . 1 1 18 18 PHE CD1 C 13 131.400 0.3 . 3 . . . . 18 PHE CD1 . 7323 1 200 . 1 1 18 18 PHE CD2 C 13 131.400 0.3 . 3 . . . . 18 PHE CD2 . 7323 1 201 . 1 1 18 18 PHE CE1 C 13 131.300 0.3 . 3 . . . . 18 PHE CE1 . 7323 1 202 . 1 1 18 18 PHE CE2 C 13 131.300 0.3 . 3 . . . . 18 PHE CE2 . 7323 1 203 . 1 1 18 18 PHE CZ C 13 129.630 0.3 . 1 . . . . 18 PHE CZ . 7323 1 204 . 1 1 18 18 PHE N N 15 122.175 0.3 . 1 . . . . 18 PHE N . 7323 1 205 . 1 1 19 19 VAL H H 1 8.237 0.015 . 1 . . . . 19 VAL HN . 7323 1 206 . 1 1 19 19 VAL HA H 1 3.000 0.015 . 1 . . . . 19 VAL HA . 7323 1 207 . 1 1 19 19 VAL HB H 1 1.940 0.015 . 1 . . . . 19 VAL HB . 7323 1 208 . 1 1 19 19 VAL HG11 H 1 0.682 0.015 . 2 . . . . 19 VAL QG1 . 7323 1 209 . 1 1 19 19 VAL HG12 H 1 0.682 0.015 . 2 . . . . 19 VAL QG1 . 7323 1 210 . 1 1 19 19 VAL HG13 H 1 0.682 0.015 . 2 . . . . 19 VAL QG1 . 7323 1 211 . 1 1 19 19 VAL HG21 H 1 0.786 0.015 . 2 . . . . 19 VAL QG2 . 7323 1 212 . 1 1 19 19 VAL HG22 H 1 0.786 0.015 . 2 . . . . 19 VAL QG2 . 7323 1 213 . 1 1 19 19 VAL HG23 H 1 0.786 0.015 . 2 . . . . 19 VAL QG2 . 7323 1 214 . 1 1 19 19 VAL CA C 13 66.786 0.3 . 1 . . . . 19 VAL CA . 7323 1 215 . 1 1 19 19 VAL CB C 13 31.577 0.3 . 1 . . . . 19 VAL CB . 7323 1 216 . 1 1 19 19 VAL CG1 C 13 25.078 0.3 . 1 . . . . 19 VAL CG1 . 7323 1 217 . 1 1 19 19 VAL CG2 C 13 23.204 0.3 . 1 . . . . 19 VAL CG2 . 7323 1 218 . 1 1 19 19 VAL N N 15 119.437 0.3 . 1 . . . . 19 VAL N . 7323 1 219 . 1 1 20 20 LYS H H 1 8.779 0.015 . 1 . . . . 20 LYS HN . 7323 1 220 . 1 1 20 20 LYS HA H 1 3.615 0.015 . 1 . . . . 20 LYS HA . 7323 1 221 . 1 1 20 20 LYS HB2 H 1 1.885 0.015 . 1 . . . . 20 LYS HB2 . 7323 1 222 . 1 1 20 20 LYS HB3 H 1 1.766 0.015 . 1 . . . . 20 LYS HB3 . 7323 1 223 . 1 1 20 20 LYS HG2 H 1 1.597 0.015 . 1 . . . . 20 LYS HG2 . 7323 1 224 . 1 1 20 20 LYS HG3 H 1 1.283 0.015 . 1 . . . . 20 LYS HG3 . 7323 1 225 . 1 1 20 20 LYS HD2 H 1 1.605 0.015 . 2 . . . . 20 LYS QD . 7323 1 226 . 1 1 20 20 LYS HD3 H 1 1.605 0.015 . 2 . . . . 20 LYS QD . 7323 1 227 . 1 1 20 20 LYS HE2 H 1 2.906 0.015 . 1 . . . . 20 LYS HE2 . 7323 1 228 . 1 1 20 20 LYS HE3 H 1 2.705 0.015 . 1 . . . . 20 LYS HE3 . 7323 1 229 . 1 1 20 20 LYS CA C 13 60.796 0.3 . 1 . . . . 20 LYS CA . 7323 1 230 . 1 1 20 20 LYS CB C 13 32.585 0.3 . 1 . . . . 20 LYS CB . 7323 1 231 . 1 1 20 20 LYS CG C 13 26.907 0.3 . 1 . . . . 20 LYS CG . 7323 1 232 . 1 1 20 20 LYS CD C 13 30.043 0.3 . 1 . . . . 20 LYS CD . 7323 1 233 . 1 1 20 20 LYS CE C 13 42.009 0.3 . 1 . . . . 20 LYS CE . 7323 1 234 . 1 1 20 20 LYS N N 15 119.905 0.3 . 1 . . . . 20 LYS N . 7323 1 235 . 1 1 21 21 LYS H H 1 7.555 0.015 . 1 . . . . 21 LYS HN . 7323 1 236 . 1 1 21 21 LYS HA H 1 3.842 0.015 . 1 . . . . 21 LYS HA . 7323 1 237 . 1 1 21 21 LYS HB2 H 1 1.923 0.015 . 2 . . . . 21 LYS QB . 7323 1 238 . 1 1 21 21 LYS HB3 H 1 1.923 0.015 . 2 . . . . 21 LYS QB . 7323 1 239 . 1 1 21 21 LYS HG2 H 1 1.300 0.015 . 2 . . . . 21 LYS QG . 7323 1 240 . 1 1 21 21 LYS HG3 H 1 1.300 0.015 . 2 . . . . 21 LYS QG . 7323 1 241 . 1 1 21 21 LYS HD2 H 1 1.692 0.015 . 2 . . . . 21 LYS QD . 7323 1 242 . 1 1 21 21 LYS HD3 H 1 1.692 0.015 . 2 . . . . 21 LYS QD . 7323 1 243 . 1 1 21 21 LYS HE2 H 1 2.994 0.015 . 2 . . . . 21 LYS QE . 7323 1 244 . 1 1 21 21 LYS HE3 H 1 2.994 0.015 . 2 . . . . 21 LYS QE . 7323 1 245 . 1 1 21 21 LYS CA C 13 59.534 0.3 . 1 . . . . 21 LYS CA . 7323 1 246 . 1 1 21 21 LYS CB C 13 32.178 0.3 . 1 . . . . 21 LYS CB . 7323 1 247 . 1 1 21 21 LYS CG C 13 25.197 0.3 . 1 . . . . 21 LYS CG . 7323 1 248 . 1 1 21 21 LYS CD C 13 29.614 0.3 . 1 . . . . 21 LYS CD . 7323 1 249 . 1 1 21 21 LYS CE C 13 42.153 0.3 . 1 . . . . 21 LYS CE . 7323 1 250 . 1 1 21 21 LYS N N 15 118.579 0.3 . 1 . . . . 21 LYS N . 7323 1 251 . 1 1 22 22 ILE H H 1 7.388 0.015 . 1 . . . . 22 ILE HN . 7323 1 252 . 1 1 22 22 ILE HA H 1 3.532 0.015 . 1 . . . . 22 ILE HA . 7323 1 253 . 1 1 22 22 ILE HB H 1 1.656 0.015 . 1 . . . . 22 ILE HB . 7323 1 254 . 1 1 22 22 ILE HG12 H 1 1.271 0.015 . 1 . . . . 22 ILE HG12 . 7323 1 255 . 1 1 22 22 ILE HG13 H 1 0.579 0.015 . 1 . . . . 22 ILE HG13 . 7323 1 256 . 1 1 22 22 ILE HG21 H 1 0.525 0.015 . 1 . . . . 22 ILE QG2 . 7323 1 257 . 1 1 22 22 ILE HG22 H 1 0.525 0.015 . 1 . . . . 22 ILE QG2 . 7323 1 258 . 1 1 22 22 ILE HG23 H 1 0.525 0.015 . 1 . . . . 22 ILE QG2 . 7323 1 259 . 1 1 22 22 ILE HD11 H 1 0.144 0.015 . 1 . . . . 22 ILE QD1 . 7323 1 260 . 1 1 22 22 ILE HD12 H 1 0.144 0.015 . 1 . . . . 22 ILE QD1 . 7323 1 261 . 1 1 22 22 ILE HD13 H 1 0.144 0.015 . 1 . . . . 22 ILE QD1 . 7323 1 262 . 1 1 22 22 ILE CA C 13 64.804 0.3 . 1 . . . . 22 ILE CA . 7323 1 263 . 1 1 22 22 ILE CB C 13 38.022 0.3 . 1 . . . . 22 ILE CB . 7323 1 264 . 1 1 22 22 ILE CG1 C 13 28.469 0.3 . 1 . . . . 22 ILE CG1 . 7323 1 265 . 1 1 22 22 ILE CG2 C 13 17.642 0.3 . 1 . . . . 22 ILE CG2 . 7323 1 266 . 1 1 22 22 ILE CD1 C 13 14.218 0.3 . 1 . . . . 22 ILE CD1 . 7323 1 267 . 1 1 22 22 ILE N N 15 118.523 0.3 . 1 . . . . 22 ILE N . 7323 1 268 . 1 1 23 23 CYS H H 1 7.946 0.015 . 1 . . . . 23 CYS HN . 7323 1 269 . 1 1 23 23 CYS HA H 1 3.943 0.015 . 1 . . . . 23 CYS HA . 7323 1 270 . 1 1 23 23 CYS HB2 H 1 2.889 0.015 . 1 . . . . 23 CYS HB2 . 7323 1 271 . 1 1 23 23 CYS HB3 H 1 2.623 0.015 . 1 . . . . 23 CYS HB3 . 7323 1 272 . 1 1 23 23 CYS CA C 13 62.416 0.3 . 1 . . . . 23 CYS CA . 7323 1 273 . 1 1 23 23 CYS CB C 13 27.115 0.3 . 1 . . . . 23 CYS CB . 7323 1 274 . 1 1 23 23 CYS N N 15 117.473 0.3 . 1 . . . . 23 CYS N . 7323 1 275 . 1 1 24 24 ARG H H 1 7.775 0.015 . 1 . . . . 24 ARG HN . 7323 1 276 . 1 1 24 24 ARG HA H 1 4.177 0.015 . 1 . . . . 24 ARG HA . 7323 1 277 . 1 1 24 24 ARG HB2 H 1 1.812 0.015 . 2 . . . . 24 ARG QB . 7323 1 278 . 1 1 24 24 ARG HB3 H 1 1.812 0.015 . 2 . . . . 24 ARG QB . 7323 1 279 . 1 1 24 24 ARG HG2 H 1 1.721 0.015 . 1 . . . . 24 ARG HG2 . 7323 1 280 . 1 1 24 24 ARG HG3 H 1 1.563 0.015 . 1 . . . . 24 ARG HG3 . 7323 1 281 . 1 1 24 24 ARG HD2 H 1 3.189 0.015 . 1 . . . . 24 ARG HD2 . 7323 1 282 . 1 1 24 24 ARG HD3 H 1 3.112 0.015 . 1 . . . . 24 ARG HD3 . 7323 1 283 . 1 1 24 24 ARG CA C 13 57.063 0.3 . 1 . . . . 24 ARG CA . 7323 1 284 . 1 1 24 24 ARG CB C 13 30.596 0.3 . 1 . . . . 24 ARG CB . 7323 1 285 . 1 1 24 24 ARG CG C 13 27.620 0.3 . 1 . . . . 24 ARG CG . 7323 1 286 . 1 1 24 24 ARG CD C 13 43.577 0.3 . 1 . . . . 24 ARG CD . 7323 1 287 . 1 1 24 24 ARG N N 15 119.016 0.3 . 1 . . . . 24 ARG N . 7323 1 288 . 1 1 25 25 ALA H H 1 7.723 0.015 . 1 . . . . 25 ALA HN . 7323 1 289 . 1 1 25 25 ALA HA H 1 4.170 0.015 . 1 . . . . 25 ALA HA . 7323 1 290 . 1 1 25 25 ALA HB1 H 1 1.365 0.015 . 1 . . . . 25 ALA QB . 7323 1 291 . 1 1 25 25 ALA HB2 H 1 1.365 0.015 . 1 . . . . 25 ALA QB . 7323 1 292 . 1 1 25 25 ALA HB3 H 1 1.365 0.015 . 1 . . . . 25 ALA QB . 7323 1 293 . 1 1 25 25 ALA CA C 13 53.123 0.3 . 1 . . . . 25 ALA CA . 7323 1 294 . 1 1 25 25 ALA CB C 13 18.075 0.3 . 1 . . . . 25 ALA CB . 7323 1 295 . 1 1 25 25 ALA N N 15 122.771 0.3 . 1 . . . . 25 ALA N . 7323 1 296 . 1 1 26 26 GLU H H 1 8.450 0.015 . 1 . . . . 26 GLU HN . 7323 1 297 . 1 1 26 26 GLU HA H 1 4.353 0.015 . 1 . . . . 26 GLU HA . 7323 1 298 . 1 1 26 26 GLU HB2 H 1 2.033 0.015 . 2 . . . . 26 GLU QB . 7323 1 299 . 1 1 26 26 GLU HB3 H 1 2.033 0.015 . 2 . . . . 26 GLU QB . 7323 1 300 . 1 1 26 26 GLU HG2 H 1 2.222 0.015 . 2 . . . . 26 GLU QG . 7323 1 301 . 1 1 26 26 GLU HG3 H 1 2.222 0.015 . 2 . . . . 26 GLU QG . 7323 1 302 . 1 1 26 26 GLU CA C 13 56.399 0.3 . 1 . . . . 26 GLU CA . 7323 1 303 . 1 1 26 26 GLU CB C 13 30.452 0.3 . 1 . . . . 26 GLU CB . 7323 1 304 . 1 1 26 26 GLU CG C 13 36.125 0.3 . 1 . . . . 26 GLU CG . 7323 1 305 . 1 1 26 26 GLU N N 15 118.768 0.3 . 1 . . . . 26 GLU N . 7323 1 306 . 1 1 27 27 GLY H H 1 8.782 0.015 . 1 . . . . 27 GLY HN . 7323 1 307 . 1 1 27 27 GLY HA2 H 1 3.862 0.015 . 2 . . . . 27 GLY QA . 7323 1 308 . 1 1 27 27 GLY HA3 H 1 3.862 0.015 . 2 . . . . 27 GLY QA . 7323 1 309 . 1 1 27 27 GLY CA C 13 45.526 0.3 . 1 . . . . 27 GLY CA . 7323 1 310 . 1 1 27 27 GLY N N 15 111.249 0.3 . 1 . . . . 27 GLY N . 7323 1 311 . 1 1 28 28 ALA H H 1 8.404 0.015 . 1 . . . . 28 ALA HN . 7323 1 312 . 1 1 28 28 ALA HA H 1 4.330 0.015 . 1 . . . . 28 ALA HA . 7323 1 313 . 1 1 28 28 ALA HB1 H 1 1.450 0.015 . 1 . . . . 28 ALA QB . 7323 1 314 . 1 1 28 28 ALA HB2 H 1 1.450 0.015 . 1 . . . . 28 ALA QB . 7323 1 315 . 1 1 28 28 ALA HB3 H 1 1.450 0.015 . 1 . . . . 28 ALA QB . 7323 1 316 . 1 1 28 28 ALA CA C 13 53.408 0.3 . 1 . . . . 28 ALA CA . 7323 1 317 . 1 1 28 28 ALA CB C 13 19.216 0.3 . 1 . . . . 28 ALA CB . 7323 1 318 . 1 1 28 28 ALA N N 15 124.575 0.3 . 1 . . . . 28 ALA N . 7323 1 319 . 1 1 29 29 THR H H 1 8.101 0.015 . 1 . . . . 29 THR HN . 7323 1 320 . 1 1 29 29 THR HA H 1 4.471 0.015 . 1 . . . . 29 THR HA . 7323 1 321 . 1 1 29 29 THR HB H 1 4.396 0.015 . 1 . . . . 29 THR HB . 7323 1 322 . 1 1 29 29 THR HG21 H 1 1.213 0.015 . 1 . . . . 29 THR QG2 . 7323 1 323 . 1 1 29 29 THR HG22 H 1 1.213 0.015 . 1 . . . . 29 THR QG2 . 7323 1 324 . 1 1 29 29 THR HG23 H 1 1.213 0.015 . 1 . . . . 29 THR QG2 . 7323 1 325 . 1 1 29 29 THR CA C 13 60.873 0.3 . 1 . . . . 29 THR CA . 7323 1 326 . 1 1 29 29 THR CB C 13 71.146 0.3 . 1 . . . . 29 THR CB . 7323 1 327 . 1 1 29 29 THR CG2 C 13 21.780 0.3 . 1 . . . . 29 THR CG2 . 7323 1 328 . 1 1 29 29 THR N N 15 109.930 0.3 . 1 . . . . 29 THR N . 7323 1 329 . 1 1 30 30 GLU H H 1 8.691 0.015 . 1 . . . . 30 GLU HN . 7323 1 330 . 1 1 30 30 GLU HA H 1 4.236 0.015 . 1 . . . . 30 GLU HA . 7323 1 331 . 1 1 30 30 GLU HB2 H 1 2.081 0.015 . 1 . . . . 30 GLU HB2 . 7323 1 332 . 1 1 30 30 GLU HB3 H 1 2.003 0.015 . 1 . . . . 30 GLU HB3 . 7323 1 333 . 1 1 30 30 GLU HG2 H 1 2.325 0.015 . 2 . . . . 30 GLU QG . 7323 1 334 . 1 1 30 30 GLU HG3 H 1 2.325 0.015 . 2 . . . . 30 GLU QG . 7323 1 335 . 1 1 30 30 GLU CA C 13 57.968 0.3 . 1 . . . . 30 GLU CA . 7323 1 336 . 1 1 30 30 GLU CB C 13 29.781 0.3 . 1 . . . . 30 GLU CB . 7323 1 337 . 1 1 30 30 GLU CG C 13 36.310 0.3 . 1 . . . . 30 GLU CG . 7323 1 338 . 1 1 30 30 GLU N N 15 122.115 0.3 . 1 . . . . 30 GLU N . 7323 1 339 . 1 1 31 31 GLU H H 1 8.399 0.015 . 1 . . . . 31 GLU HN . 7323 1 340 . 1 1 31 31 GLU HA H 1 4.201 0.015 . 1 . . . . 31 GLU HA . 7323 1 341 . 1 1 31 31 GLU HB2 H 1 2.004 0.015 . 2 . . . . 31 GLU QB . 7323 1 342 . 1 1 31 31 GLU HB3 H 1 2.004 0.015 . 2 . . . . 31 GLU QB . 7323 1 343 . 1 1 31 31 GLU HG2 H 1 2.290 0.015 . 2 . . . . 31 GLU QG . 7323 1 344 . 1 1 31 31 GLU HG3 H 1 2.290 0.015 . 2 . . . . 31 GLU QG . 7323 1 345 . 1 1 31 31 GLU CA C 13 58.111 0.3 . 1 . . . . 31 GLU CA . 7323 1 346 . 1 1 31 31 GLU CB C 13 29.690 0.3 . 1 . . . . 31 GLU CB . 7323 1 347 . 1 1 31 31 GLU CG C 13 36.176 0.3 . 1 . . . . 31 GLU CG . 7323 1 348 . 1 1 31 31 GLU N N 15 120.005 0.3 . 1 . . . . 31 GLU N . 7323 1 349 . 1 1 32 32 ASP H H 1 8.112 0.015 . 1 . . . . 32 ASP HN . 7323 1 350 . 1 1 32 32 ASP HA H 1 4.486 0.015 . 1 . . . . 32 ASP HA . 7323 1 351 . 1 1 32 32 ASP HB2 H 1 2.738 0.015 . 2 . . . . 32 ASP QB . 7323 1 352 . 1 1 32 32 ASP HB3 H 1 2.738 0.015 . 2 . . . . 32 ASP QB . 7323 1 353 . 1 1 32 32 ASP CA C 13 56.255 0.3 . 1 . . . . 32 ASP CA . 7323 1 354 . 1 1 32 32 ASP CB C 13 41.013 0.3 . 1 . . . . 32 ASP CB . 7323 1 355 . 1 1 32 32 ASP N N 15 119.828 0.3 . 1 . . . . 32 ASP N . 7323 1 356 . 1 1 33 33 ASP H H 1 7.908 0.015 . 1 . . . . 33 ASP HN . 7323 1 357 . 1 1 33 33 ASP HA H 1 4.566 0.015 . 1 . . . . 33 ASP HA . 7323 1 358 . 1 1 33 33 ASP HB2 H 1 2.714 0.015 . 2 . . . . 33 ASP QB . 7323 1 359 . 1 1 33 33 ASP HB3 H 1 2.714 0.015 . 2 . . . . 33 ASP QB . 7323 1 360 . 1 1 33 33 ASP CA C 13 56.258 0.3 . 1 . . . . 33 ASP CA . 7323 1 361 . 1 1 33 33 ASP CB C 13 40.585 0.3 . 1 . . . . 33 ASP CB . 7323 1 362 . 1 1 33 33 ASP N N 15 120.363 0.3 . 1 . . . . 33 ASP N . 7323 1 363 . 1 1 34 34 ASN H H 1 8.505 0.015 . 1 . . . . 34 ASN HN . 7323 1 364 . 1 1 34 34 ASN HA H 1 4.555 0.015 . 1 . . . . 34 ASN HA . 7323 1 365 . 1 1 34 34 ASN HB2 H 1 2.898 0.015 . 1 . . . . 34 ASN HB2 . 7323 1 366 . 1 1 34 34 ASN HB3 H 1 2.878 0.015 . 1 . . . . 34 ASN HB3 . 7323 1 367 . 1 1 34 34 ASN HD21 H 1 7.712 0.015 . 1 . . . . 34 ASN HD21 . 7323 1 368 . 1 1 34 34 ASN HD22 H 1 7.005 0.015 . 1 . . . . 34 ASN HD22 . 7323 1 369 . 1 1 34 34 ASN CA C 13 55.400 0.3 . 1 . . . . 34 ASN CA . 7323 1 370 . 1 1 34 34 ASN CB C 13 38.449 0.3 . 1 . . . . 34 ASN CB . 7323 1 371 . 1 1 34 34 ASN N N 15 119.121 0.3 . 1 . . . . 34 ASN N . 7323 1 372 . 1 1 34 34 ASN ND2 N 15 111.878 0.3 . 1 . . . . 34 ASN ND2 . 7323 1 373 . 1 1 35 35 LYS H H 1 8.199 0.015 . 1 . . . . 35 LYS HN . 7323 1 374 . 1 1 35 35 LYS HA H 1 4.040 0.015 . 1 . . . . 35 LYS HA . 7323 1 375 . 1 1 35 35 LYS HB2 H 1 2.017 0.015 . 1 . . . . 35 LYS HB2 . 7323 1 376 . 1 1 35 35 LYS HB3 H 1 1.957 0.015 . 1 . . . . 35 LYS HB3 . 7323 1 377 . 1 1 35 35 LYS HG2 H 1 1.663 0.015 . 1 . . . . 35 LYS HG2 . 7323 1 378 . 1 1 35 35 LYS HG3 H 1 1.496 0.015 . 1 . . . . 35 LYS HG3 . 7323 1 379 . 1 1 35 35 LYS HD2 H 1 1.766 0.015 . 2 . . . . 35 LYS QD . 7323 1 380 . 1 1 35 35 LYS HD3 H 1 1.766 0.015 . 2 . . . . 35 LYS QD . 7323 1 381 . 1 1 35 35 LYS HE2 H 1 3.030 0.015 . 2 . . . . 35 LYS QE . 7323 1 382 . 1 1 35 35 LYS HE3 H 1 3.030 0.015 . 2 . . . . 35 LYS QE . 7323 1 383 . 1 1 35 35 LYS CA C 13 59.841 0.3 . 1 . . . . 35 LYS CA . 7323 1 384 . 1 1 35 35 LYS CB C 13 32.564 0.3 . 1 . . . . 35 LYS CB . 7323 1 385 . 1 1 35 35 LYS CG C 13 25.374 0.3 . 1 . . . . 35 LYS CG . 7323 1 386 . 1 1 35 35 LYS CD C 13 29.555 0.3 . 1 . . . . 35 LYS CD . 7323 1 387 . 1 1 35 35 LYS CE C 13 42.128 0.3 . 1 . . . . 35 LYS CE . 7323 1 388 . 1 1 35 35 LYS N N 15 120.089 0.3 . 1 . . . . 35 LYS N . 7323 1 389 . 1 1 36 36 LEU H H 1 7.876 0.015 . 1 . . . . 36 LEU HN . 7323 1 390 . 1 1 36 36 LEU HA H 1 4.288 0.015 . 1 . . . . 36 LEU HA . 7323 1 391 . 1 1 36 36 LEU HB2 H 1 1.994 0.015 . 1 . . . . 36 LEU HB2 . 7323 1 392 . 1 1 36 36 LEU HB3 H 1 1.394 0.015 . 1 . . . . 36 LEU HB3 . 7323 1 393 . 1 1 36 36 LEU HG H 1 1.902 0.015 . 1 . . . . 36 LEU HG . 7323 1 394 . 1 1 36 36 LEU HD11 H 1 0.880 0.015 . 2 . . . . 36 LEU QD1 . 7323 1 395 . 1 1 36 36 LEU HD12 H 1 0.880 0.015 . 2 . . . . 36 LEU QD1 . 7323 1 396 . 1 1 36 36 LEU HD13 H 1 0.880 0.015 . 2 . . . . 36 LEU QD1 . 7323 1 397 . 1 1 36 36 LEU HD21 H 1 0.917 0.015 . 2 . . . . 36 LEU QD2 . 7323 1 398 . 1 1 36 36 LEU HD22 H 1 0.917 0.015 . 2 . . . . 36 LEU QD2 . 7323 1 399 . 1 1 36 36 LEU HD23 H 1 0.917 0.015 . 2 . . . . 36 LEU QD2 . 7323 1 400 . 1 1 36 36 LEU CA C 13 58.101 0.3 . 1 . . . . 36 LEU CA . 7323 1 401 . 1 1 36 36 LEU CB C 13 41.725 0.3 . 1 . . . . 36 LEU CB . 7323 1 402 . 1 1 36 36 LEU CG C 13 27.012 0.3 . 1 . . . . 36 LEU CG . 7323 1 403 . 1 1 36 36 LEU CD1 C 13 25.622 0.3 . 1 . . . . 36 LEU CD1 . 7323 1 404 . 1 1 36 36 LEU CD2 C 13 22.858 0.3 . 1 . . . . 36 LEU CD2 . 7323 1 405 . 1 1 36 36 LEU N N 15 119.062 0.3 . 1 . . . . 36 LEU N . 7323 1 406 . 1 1 37 37 VAL H H 1 7.914 0.015 . 1 . . . . 37 VAL HN . 7323 1 407 . 1 1 37 37 VAL HA H 1 3.522 0.015 . 1 . . . . 37 VAL HA . 7323 1 408 . 1 1 37 37 VAL HB H 1 2.250 0.015 . 1 . . . . 37 VAL HB . 7323 1 409 . 1 1 37 37 VAL HG11 H 1 1.078 0.015 . 2 . . . . 37 VAL QG1 . 7323 1 410 . 1 1 37 37 VAL HG12 H 1 1.078 0.015 . 2 . . . . 37 VAL QG1 . 7323 1 411 . 1 1 37 37 VAL HG13 H 1 1.078 0.015 . 2 . . . . 37 VAL QG1 . 7323 1 412 . 1 1 37 37 VAL HG21 H 1 1.046 0.015 . 2 . . . . 37 VAL QG2 . 7323 1 413 . 1 1 37 37 VAL HG22 H 1 1.046 0.015 . 2 . . . . 37 VAL QG2 . 7323 1 414 . 1 1 37 37 VAL HG23 H 1 1.046 0.015 . 2 . . . . 37 VAL QG2 . 7323 1 415 . 1 1 37 37 VAL CA C 13 67.319 0.3 . 1 . . . . 37 VAL CA . 7323 1 416 . 1 1 37 37 VAL CB C 13 31.532 0.3 . 1 . . . . 37 VAL CB . 7323 1 417 . 1 1 37 37 VAL CG1 C 13 23.795 0.3 . 1 . . . . 37 VAL CG1 . 7323 1 418 . 1 1 37 37 VAL CG2 C 13 22.410 0.3 . 1 . . . . 37 VAL CG2 . 7323 1 419 . 1 1 37 37 VAL N N 15 120.190 0.3 . 1 . . . . 37 VAL N . 7323 1 420 . 1 1 38 38 ARG H H 1 8.213 0.015 . 1 . . . . 38 ARG HN . 7323 1 421 . 1 1 38 38 ARG HA H 1 4.382 0.015 . 1 . . . . 38 ARG HA . 7323 1 422 . 1 1 38 38 ARG HB2 H 1 2.095 0.015 . 1 . . . . 38 ARG HB2 . 7323 1 423 . 1 1 38 38 ARG HB3 H 1 2.010 0.015 . 1 . . . . 38 ARG HB3 . 7323 1 424 . 1 1 38 38 ARG HG2 H 1 1.878 0.015 . 1 . . . . 38 ARG HG2 . 7323 1 425 . 1 1 38 38 ARG HG3 H 1 1.848 0.015 . 1 . . . . 38 ARG HG3 . 7323 1 426 . 1 1 38 38 ARG HD2 H 1 3.315 0.015 . 2 . . . . 38 ARG QD . 7323 1 427 . 1 1 38 38 ARG HD3 H 1 3.315 0.015 . 2 . . . . 38 ARG QD . 7323 1 428 . 1 1 38 38 ARG CA C 13 59.249 0.3 . 1 . . . . 38 ARG CA . 7323 1 429 . 1 1 38 38 ARG CB C 13 30.185 0.3 . 1 . . . . 38 ARG CB . 7323 1 430 . 1 1 38 38 ARG CG C 13 27.476 0.3 . 1 . . . . 38 ARG CG . 7323 1 431 . 1 1 38 38 ARG CD C 13 43.576 0.3 . 1 . . . . 38 ARG CD . 7323 1 432 . 1 1 38 38 ARG N N 15 119.437 0.3 . 1 . . . . 38 ARG N . 7323 1 433 . 1 1 39 39 GLU H H 1 7.976 0.015 . 1 . . . . 39 GLU HN . 7323 1 434 . 1 1 39 39 GLU HA H 1 4.710 0.015 . 1 . . . . 39 GLU HA . 7323 1 435 . 1 1 39 39 GLU HB2 H 1 2.368 0.015 . 2 . . . . 39 GLU QB . 7323 1 436 . 1 1 39 39 GLU HB3 H 1 2.368 0.015 . 2 . . . . 39 GLU QB . 7323 1 437 . 1 1 39 39 GLU HG2 H 1 2.536 0.015 . 1 . . . . 39 GLU HG2 . 7323 1 438 . 1 1 39 39 GLU HG3 H 1 2.378 0.015 . 1 . . . . 39 GLU HG3 . 7323 1 439 . 1 1 39 39 GLU CA C 13 58.461 0.3 . 1 . . . . 39 GLU CA . 7323 1 440 . 1 1 39 39 GLU CB C 13 29.094 0.3 . 1 . . . . 39 GLU CB . 7323 1 441 . 1 1 39 39 GLU CG C 13 34.748 0.3 . 1 . . . . 39 GLU CG . 7323 1 442 . 1 1 39 39 GLU N N 15 121.523 0.3 . 1 . . . . 39 GLU N . 7323 1 443 . 1 1 40 40 PHE H H 1 8.874 0.015 . 1 . . . . 40 PHE HN . 7323 1 444 . 1 1 40 40 PHE HA H 1 4.233 0.015 . 1 . . . . 40 PHE HA . 7323 1 445 . 1 1 40 40 PHE HB2 H 1 3.826 0.015 . 1 . . . . 40 PHE HB2 . 7323 1 446 . 1 1 40 40 PHE HB3 H 1 3.187 0.015 . 1 . . . . 40 PHE HB3 . 7323 1 447 . 1 1 40 40 PHE HD1 H 1 7.333 0.015 . 3 . . . . 40 PHE QD . 7323 1 448 . 1 1 40 40 PHE HD2 H 1 7.333 0.015 . 3 . . . . 40 PHE QD . 7323 1 449 . 1 1 40 40 PHE HE1 H 1 7.183 0.015 . 3 . . . . 40 PHE QE . 7323 1 450 . 1 1 40 40 PHE HE2 H 1 7.183 0.015 . 3 . . . . 40 PHE QE . 7323 1 451 . 1 1 40 40 PHE HZ H 1 6.859 0.015 . 1 . . . . 40 PHE HZ . 7323 1 452 . 1 1 40 40 PHE CA C 13 62.951 0.3 . 1 . . . . 40 PHE CA . 7323 1 453 . 1 1 40 40 PHE CB C 13 38.663 0.3 . 1 . . . . 40 PHE CB . 7323 1 454 . 1 1 40 40 PHE CD1 C 13 129.279 0.3 . 3 . . . . 40 PHE CD1 . 7323 1 455 . 1 1 40 40 PHE CD2 C 13 129.279 0.3 . 3 . . . . 40 PHE CD2 . 7323 1 456 . 1 1 40 40 PHE CE1 C 13 130.340 0.3 . 3 . . . . 40 PHE CE1 . 7323 1 457 . 1 1 40 40 PHE CE2 C 13 130.340 0.3 . 3 . . . . 40 PHE CE2 . 7323 1 458 . 1 1 40 40 PHE CZ C 13 131.900 0.3 . 1 . . . . 40 PHE CZ . 7323 1 459 . 1 1 40 40 PHE N N 15 121.972 0.3 . 1 . . . . 40 PHE N . 7323 1 460 . 1 1 41 41 GLU H H 1 8.667 0.015 . 1 . . . . 41 GLU HN . 7323 1 461 . 1 1 41 41 GLU HA H 1 3.688 0.015 . 1 . . . . 41 GLU HA . 7323 1 462 . 1 1 41 41 GLU HB2 H 1 2.536 0.015 . 1 . . . . 41 GLU HB2 . 7323 1 463 . 1 1 41 41 GLU HB3 H 1 2.118 0.015 . 1 . . . . 41 GLU HB3 . 7323 1 464 . 1 1 41 41 GLU HG2 H 1 2.921 0.015 . 1 . . . . 41 GLU HG2 . 7323 1 465 . 1 1 41 41 GLU HG3 H 1 2.056 0.015 . 1 . . . . 41 GLU HG3 . 7323 1 466 . 1 1 41 41 GLU CA C 13 60.533 0.3 . 1 . . . . 41 GLU CA . 7323 1 467 . 1 1 41 41 GLU CB C 13 29.616 0.3 . 1 . . . . 41 GLU CB . 7323 1 468 . 1 1 41 41 GLU CG C 13 37.537 0.3 . 1 . . . . 41 GLU CG . 7323 1 469 . 1 1 41 41 GLU N N 15 121.262 0.3 . 1 . . . . 41 GLU N . 7323 1 470 . 1 1 42 42 ARG H H 1 8.179 0.015 . 1 . . . . 42 ARG HN . 7323 1 471 . 1 1 42 42 ARG HA H 1 3.989 0.015 . 1 . . . . 42 ARG HA . 7323 1 472 . 1 1 42 42 ARG HB2 H 1 2.073 0.015 . 1 . . . . 42 ARG HB2 . 7323 1 473 . 1 1 42 42 ARG HB3 H 1 1.996 0.015 . 1 . . . . 42 ARG HB3 . 7323 1 474 . 1 1 42 42 ARG HG2 H 1 1.718 0.015 . 1 . . . . 42 ARG HG2 . 7323 1 475 . 1 1 42 42 ARG HG3 H 1 1.490 0.015 . 1 . . . . 42 ARG HG3 . 7323 1 476 . 1 1 42 42 ARG HD2 H 1 3.466 0.015 . 1 . . . . 42 ARG HD2 . 7323 1 477 . 1 1 42 42 ARG HD3 H 1 3.063 0.015 . 1 . . . . 42 ARG HD3 . 7323 1 478 . 1 1 42 42 ARG CA C 13 59.251 0.3 . 1 . . . . 42 ARG CA . 7323 1 479 . 1 1 42 42 ARG CB C 13 31.039 0.3 . 1 . . . . 42 ARG CB . 7323 1 480 . 1 1 42 42 ARG CG C 13 27.266 0.3 . 1 . . . . 42 ARG CG . 7323 1 481 . 1 1 42 42 ARG CD C 13 42.725 0.3 . 1 . . . . 42 ARG CD . 7323 1 482 . 1 1 42 42 ARG N N 15 121.371 0.3 . 1 . . . . 42 ARG N . 7323 1 483 . 1 1 43 43 LEU H H 1 8.828 0.015 . 1 . . . . 43 LEU HN . 7323 1 484 . 1 1 43 43 LEU HA H 1 4.026 0.015 . 1 . . . . 43 LEU HA . 7323 1 485 . 1 1 43 43 LEU HB2 H 1 1.896 0.015 . 1 . . . . 43 LEU HB2 . 7323 1 486 . 1 1 43 43 LEU HB3 H 1 0.974 0.015 . 1 . . . . 43 LEU HB3 . 7323 1 487 . 1 1 43 43 LEU HG H 1 1.803 0.015 . 1 . . . . 43 LEU HG . 7323 1 488 . 1 1 43 43 LEU HD11 H 1 0.706 0.015 . 2 . . . . 43 LEU QD1 . 7323 1 489 . 1 1 43 43 LEU HD12 H 1 0.706 0.015 . 2 . . . . 43 LEU QD1 . 7323 1 490 . 1 1 43 43 LEU HD13 H 1 0.706 0.015 . 2 . . . . 43 LEU QD1 . 7323 1 491 . 1 1 43 43 LEU HD21 H 1 0.715 0.015 . 2 . . . . 43 LEU QD2 . 7323 1 492 . 1 1 43 43 LEU HD22 H 1 0.715 0.015 . 2 . . . . 43 LEU QD2 . 7323 1 493 . 1 1 43 43 LEU HD23 H 1 0.715 0.015 . 2 . . . . 43 LEU QD2 . 7323 1 494 . 1 1 43 43 LEU CA C 13 56.682 0.3 . 1 . . . . 43 LEU CA . 7323 1 495 . 1 1 43 43 LEU CB C 13 44.733 0.3 . 1 . . . . 43 LEU CB . 7323 1 496 . 1 1 43 43 LEU CG C 13 27.260 0.3 . 1 . . . . 43 LEU CG . 7323 1 497 . 1 1 43 43 LEU CD1 C 13 26.718 0.3 . 1 . . . . 43 LEU CD1 . 7323 1 498 . 1 1 43 43 LEU CD2 C 13 23.061 0.3 . 1 . . . . 43 LEU CD2 . 7323 1 499 . 1 1 43 43 LEU N N 15 116.108 0.3 . 1 . . . . 43 LEU N . 7323 1 500 . 1 1 44 44 THR H H 1 7.762 0.015 . 1 . . . . 44 THR HN . 7323 1 501 . 1 1 44 44 THR HA H 1 3.549 0.015 . 1 . . . . 44 THR HA . 7323 1 502 . 1 1 44 44 THR HB H 1 3.772 0.015 . 1 . . . . 44 THR HB . 7323 1 503 . 1 1 44 44 THR HG21 H 1 0.726 0.015 . 1 . . . . 44 THR QG2 . 7323 1 504 . 1 1 44 44 THR HG22 H 1 0.726 0.015 . 1 . . . . 44 THR QG2 . 7323 1 505 . 1 1 44 44 THR HG23 H 1 0.726 0.015 . 1 . . . . 44 THR QG2 . 7323 1 506 . 1 1 44 44 THR CA C 13 65.336 0.3 . 1 . . . . 44 THR CA . 7323 1 507 . 1 1 44 44 THR CB C 13 69.979 0.3 . 1 . . . . 44 THR CB . 7323 1 508 . 1 1 44 44 THR CG2 C 13 22.521 0.3 . 1 . . . . 44 THR CG2 . 7323 1 509 . 1 1 44 44 THR N N 15 104.411 0.3 . 1 . . . . 44 THR N . 7323 1 510 . 1 1 45 45 GLU H H 1 7.307 0.015 . 1 . . . . 45 GLU HN . 7323 1 511 . 1 1 45 45 GLU HA H 1 3.845 0.015 . 1 . . . . 45 GLU HA . 7323 1 512 . 1 1 45 45 GLU HB2 H 1 2.457 0.015 . 1 . . . . 45 GLU HB2 . 7323 1 513 . 1 1 45 45 GLU HB3 H 1 2.379 0.015 . 1 . . . . 45 GLU HB3 . 7323 1 514 . 1 1 45 45 GLU HG2 H 1 2.224 0.015 . 1 . . . . 45 GLU HG2 . 7323 1 515 . 1 1 45 45 GLU HG3 H 1 2.130 0.015 . 1 . . . . 45 GLU HG3 . 7323 1 516 . 1 1 45 45 GLU CA C 13 57.539 0.3 . 1 . . . . 45 GLU CA . 7323 1 517 . 1 1 45 45 GLU CB C 13 28.902 0.3 . 1 . . . . 45 GLU CB . 7323 1 518 . 1 1 45 45 GLU CG C 13 37.729 0.3 . 1 . . . . 45 GLU CG . 7323 1 519 . 1 1 45 45 GLU N N 15 111.476 0.3 . 1 . . . . 45 GLU N . 7323 1 520 . 1 1 46 46 HIS H H 1 7.267 0.015 . 1 . . . . 46 HIS HN . 7323 1 521 . 1 1 46 46 HIS HA H 1 3.032 0.015 . 1 . . . . 46 HIS HA . 7323 1 522 . 1 1 46 46 HIS HB2 H 1 2.577 0.015 . 1 . . . . 46 HIS HB2 . 7323 1 523 . 1 1 46 46 HIS HB3 H 1 2.076 0.015 . 1 . . . . 46 HIS HB3 . 7323 1 524 . 1 1 46 46 HIS HD2 H 1 6.105 0.015 . 1 . . . . 46 HIS HD2 . 7323 1 525 . 1 1 46 46 HIS HE1 H 1 7.719 0.015 . 1 . . . . 46 HIS HE1 . 7323 1 526 . 1 1 46 46 HIS CA C 13 55.687 0.3 . 1 . . . . 46 HIS CA . 7323 1 527 . 1 1 46 46 HIS CB C 13 31.879 0.3 . 1 . . . . 46 HIS CB . 7323 1 528 . 1 1 46 46 HIS CD2 C 13 116.160 0.3 . 1 . . . . 46 HIS CD2 . 7323 1 529 . 1 1 46 46 HIS CE1 C 13 139.072 0.3 . 1 . . . . 46 HIS CE1 . 7323 1 530 . 1 1 46 46 HIS N N 15 119.787 0.3 . 1 . . . . 46 HIS N . 7323 1 531 . 1 1 47 47 PRO HA H 1 4.170 0.015 . 1 . . . . 47 PRO HA . 7323 1 532 . 1 1 47 47 PRO HB2 H 1 2.209 0.015 . 1 . . . . 47 PRO HB2 . 7323 1 533 . 1 1 47 47 PRO HB3 H 1 1.822 0.015 . 1 . . . . 47 PRO HB3 . 7323 1 534 . 1 1 47 47 PRO HG2 H 1 1.780 0.015 . 1 . . . . 47 PRO HG2 . 7323 1 535 . 1 1 47 47 PRO HG3 H 1 1.549 0.015 . 1 . . . . 47 PRO HG3 . 7323 1 536 . 1 1 47 47 PRO HD2 H 1 2.689 0.015 . 1 . . . . 47 PRO HD2 . 7323 1 537 . 1 1 47 47 PRO HD3 H 1 1.081 0.015 . 1 . . . . 47 PRO HD3 . 7323 1 538 . 1 1 47 47 PRO CA C 13 64.661 0.3 . 1 . . . . 47 PRO CA . 7323 1 539 . 1 1 47 47 PRO CB C 13 32.037 0.3 . 1 . . . . 47 PRO CB . 7323 1 540 . 1 1 47 47 PRO CG C 13 26.765 0.3 . 1 . . . . 47 PRO CG . 7323 1 541 . 1 1 47 47 PRO CD C 13 50.556 0.3 . 1 . . . . 47 PRO CD . 7323 1 542 . 1 1 48 48 ASP H H 1 10.771 0.015 . 1 . . . . 48 ASP HN . 7323 1 543 . 1 1 48 48 ASP HA H 1 4.736 0.015 . 1 . . . . 48 ASP HA . 7323 1 544 . 1 1 48 48 ASP HB2 H 1 2.664 0.015 . 1 . . . . 48 ASP HB2 . 7323 1 545 . 1 1 48 48 ASP HB3 H 1 2.562 0.015 . 1 . . . . 48 ASP HB3 . 7323 1 546 . 1 1 48 48 ASP CA C 13 55.267 0.3 . 1 . . . . 48 ASP CA . 7323 1 547 . 1 1 48 48 ASP CB C 13 40.872 0.3 . 1 . . . . 48 ASP CB . 7323 1 548 . 1 1 48 48 ASP N N 15 121.157 0.3 . 1 . . . . 48 ASP N . 7323 1 549 . 1 1 49 49 GLY H H 1 7.920 0.015 . 1 . . . . 49 GLY HN . 7323 1 550 . 1 1 49 49 GLY HA2 H 1 4.071 0.015 . 1 . . . . 49 GLY HA1 . 7323 1 551 . 1 1 49 49 GLY HA3 H 1 3.759 0.015 . 1 . . . . 49 GLY HA2 . 7323 1 552 . 1 1 49 49 GLY CA C 13 47.413 0.3 . 1 . . . . 49 GLY CA . 7323 1 553 . 1 1 49 49 GLY N N 15 107.223 0.3 . 1 . . . . 49 GLY N . 7323 1 554 . 1 1 50 50 SER H H 1 9.787 0.015 . 1 . . . . 50 SER HN . 7323 1 555 . 1 1 50 50 SER HA H 1 3.898 0.015 . 1 . . . . 50 SER HA . 7323 1 556 . 1 1 50 50 SER HB2 H 1 4.141 0.015 . 1 . . . . 50 SER HB2 . 7323 1 557 . 1 1 50 50 SER HB3 H 1 3.943 0.015 . 1 . . . . 50 SER HB3 . 7323 1 558 . 1 1 50 50 SER CA C 13 60.843 0.3 . 1 . . . . 50 SER CA . 7323 1 559 . 1 1 50 50 SER CB C 13 63.065 0.3 . 1 . . . . 50 SER CB . 7323 1 560 . 1 1 50 50 SER N N 15 120.446 0.3 . 1 . . . . 50 SER N . 7323 1 561 . 1 1 51 51 ASP H H 1 8.646 0.015 . 1 . . . . 51 ASP HN . 7323 1 562 . 1 1 51 51 ASP HA H 1 4.543 0.015 . 1 . . . . 51 ASP HA . 7323 1 563 . 1 1 51 51 ASP HB2 H 1 3.087 0.015 . 1 . . . . 51 ASP HB2 . 7323 1 564 . 1 1 51 51 ASP HB3 H 1 2.792 0.015 . 1 . . . . 51 ASP HB3 . 7323 1 565 . 1 1 51 51 ASP CA C 13 57.762 0.3 . 1 . . . . 51 ASP CA . 7323 1 566 . 1 1 51 51 ASP CB C 13 39.297 0.3 . 1 . . . . 51 ASP CB . 7323 1 567 . 1 1 51 51 ASP N N 15 126.008 0.3 . 1 . . . . 51 ASP N . 7323 1 568 . 1 1 52 52 LEU H H 1 7.449 0.015 . 1 . . . . 52 LEU HN . 7323 1 569 . 1 1 52 52 LEU HA H 1 3.778 0.015 . 1 . . . . 52 LEU HA . 7323 1 570 . 1 1 52 52 LEU HB2 H 1 1.639 0.015 . 1 . . . . 52 LEU HB2 . 7323 1 571 . 1 1 52 52 LEU HB3 H 1 1.262 0.015 . 1 . . . . 52 LEU HB3 . 7323 1 572 . 1 1 52 52 LEU HG H 1 1.495 0.015 . 1 . . . . 52 LEU HG . 7323 1 573 . 1 1 52 52 LEU HD11 H 1 0.331 0.015 . 2 . . . . 52 LEU QD1 . 7323 1 574 . 1 1 52 52 LEU HD12 H 1 0.331 0.015 . 2 . . . . 52 LEU QD1 . 7323 1 575 . 1 1 52 52 LEU HD13 H 1 0.331 0.015 . 2 . . . . 52 LEU QD1 . 7323 1 576 . 1 1 52 52 LEU HD21 H 1 0.437 0.015 . 2 . . . . 52 LEU QD2 . 7323 1 577 . 1 1 52 52 LEU HD22 H 1 0.437 0.015 . 2 . . . . 52 LEU QD2 . 7323 1 578 . 1 1 52 52 LEU HD23 H 1 0.437 0.015 . 2 . . . . 52 LEU QD2 . 7323 1 579 . 1 1 52 52 LEU CA C 13 57.539 0.3 . 1 . . . . 52 LEU CA . 7323 1 580 . 1 1 52 52 LEU CB C 13 43.292 0.3 . 1 . . . . 52 LEU CB . 7323 1 581 . 1 1 52 52 LEU CG C 13 27.403 0.3 . 1 . . . . 52 LEU CG . 7323 1 582 . 1 1 52 52 LEU CD1 C 13 25.341 0.3 . 1 . . . . 52 LEU CD1 . 7323 1 583 . 1 1 52 52 LEU CD2 C 13 23.487 0.3 . 1 . . . . 52 LEU CD2 . 7323 1 584 . 1 1 52 52 LEU N N 15 115.647 0.3 . 1 . . . . 52 LEU N . 7323 1 585 . 1 1 53 53 ILE H H 1 7.011 0.015 . 1 . . . . 53 ILE HN . 7323 1 586 . 1 1 53 53 ILE HA H 1 3.345 0.015 . 1 . . . . 53 ILE HA . 7323 1 587 . 1 1 53 53 ILE HB H 1 1.009 0.015 . 1 . . . . 53 ILE HB . 7323 1 588 . 1 1 53 53 ILE HG12 H 1 0.710 0.015 . 1 . . . . 53 ILE HG12 . 7323 1 589 . 1 1 53 53 ILE HG13 H 1 0.194 0.015 . 1 . . . . 53 ILE HG13 . 7323 1 590 . 1 1 53 53 ILE HG21 H 1 -0.068 0.015 . 1 . . . . 53 ILE 2 . 7323 1 591 . 1 1 53 53 ILE HG22 H 1 -0.068 0.015 . 1 . . . . 53 ILE 2 . 7323 1 592 . 1 1 53 53 ILE HG23 H 1 -0.068 0.015 . 1 . . . . 53 ILE 2 . 7323 1 593 . 1 1 53 53 ILE HD11 H 1 -0.228 0.015 . 1 . . . . 53 ILE 1 . 7323 1 594 . 1 1 53 53 ILE HD12 H 1 -0.228 0.015 . 1 . . . . 53 ILE 1 . 7323 1 595 . 1 1 53 53 ILE HD13 H 1 -0.228 0.015 . 1 . . . . 53 ILE 1 . 7323 1 596 . 1 1 53 53 ILE CA C 13 62.529 0.3 . 1 . . . . 53 ILE CA . 7323 1 597 . 1 1 53 53 ILE CB C 13 38.582 0.3 . 1 . . . . 53 ILE CB . 7323 1 598 . 1 1 53 53 ILE CG1 C 13 27.614 0.3 . 1 . . . . 53 ILE CG1 . 7323 1 599 . 1 1 53 53 ILE CG2 C 13 16.791 0.3 . 1 . . . . 53 ILE CG2 . 7323 1 600 . 1 1 53 53 ILE CD1 C 13 12.518 0.3 . 1 . . . . 53 ILE CD1 . 7323 1 601 . 1 1 53 53 ILE N N 15 113.512 0.3 . 1 . . . . 53 ILE N . 7323 1 602 . 1 1 54 54 TYR H H 1 6.985 0.015 . 1 . . . . 54 TYR HN . 7323 1 603 . 1 1 54 54 TYR HA H 1 4.135 0.015 . 1 . . . . 54 TYR HA . 7323 1 604 . 1 1 54 54 TYR HB2 H 1 2.624 0.015 . 1 . . . . 54 TYR HB2 . 7323 1 605 . 1 1 54 54 TYR HB3 H 1 2.339 0.015 . 1 . . . . 54 TYR HB3 . 7323 1 606 . 1 1 54 54 TYR HD1 H 1 7.057 0.015 . 3 . . . . 54 TYR QD . 7323 1 607 . 1 1 54 54 TYR HD2 H 1 7.057 0.015 . 3 . . . . 54 TYR QD . 7323 1 608 . 1 1 54 54 TYR HE1 H 1 6.654 0.015 . 3 . . . . 54 TYR QE . 7323 1 609 . 1 1 54 54 TYR HE2 H 1 6.654 0.015 . 3 . . . . 54 TYR QE . 7323 1 610 . 1 1 54 54 TYR CA C 13 59.677 0.3 . 1 . . . . 54 TYR CA . 7323 1 611 . 1 1 54 54 TYR CB C 13 39.763 0.3 . 1 . . . . 54 TYR CB . 7323 1 612 . 1 1 54 54 TYR CD1 C 13 132.800 0.3 . 3 . . . . 54 TYR CD1 . 7323 1 613 . 1 1 54 54 TYR CD2 C 13 132.800 0.3 . 3 . . . . 54 TYR CD2 . 7323 1 614 . 1 1 54 54 TYR CE1 C 13 117.902 0.3 . 3 . . . . 54 TYR CE1 . 7323 1 615 . 1 1 54 54 TYR CE2 C 13 117.902 0.3 . 3 . . . . 54 TYR CE2 . 7323 1 616 . 1 1 54 54 TYR N N 15 114.705 0.3 . 1 . . . . 54 TYR N . 7323 1 617 . 1 1 55 55 TYR H H 1 8.534 0.015 . 1 . . . . 55 TYR HN . 7323 1 618 . 1 1 55 55 TYR HA H 1 4.939 0.015 . 1 . . . . 55 TYR HA . 7323 1 619 . 1 1 55 55 TYR HB2 H 1 3.087 0.015 . 1 . . . . 55 TYR HB2 . 7323 1 620 . 1 1 55 55 TYR HB3 H 1 2.605 0.015 . 1 . . . . 55 TYR HB3 . 7323 1 621 . 1 1 55 55 TYR HD1 H 1 7.146 0.015 . 3 . . . . 55 TYR QD . 7323 1 622 . 1 1 55 55 TYR HD2 H 1 7.146 0.015 . 3 . . . . 55 TYR QD . 7323 1 623 . 1 1 55 55 TYR HE1 H 1 6.784 0.015 . 3 . . . . 55 TYR QE . 7323 1 624 . 1 1 55 55 TYR HE2 H 1 6.784 0.015 . 3 . . . . 55 TYR QE . 7323 1 625 . 1 1 55 55 TYR CA C 13 55.252 0.3 . 1 . . . . 55 TYR CA . 7323 1 626 . 1 1 55 55 TYR CB C 13 39.156 0.3 . 1 . . . . 55 TYR CB . 7323 1 627 . 1 1 55 55 TYR CD1 C 13 133.862 0.3 . 3 . . . . 55 TYR CD1 . 7323 1 628 . 1 1 55 55 TYR CD2 C 13 133.862 0.3 . 3 . . . . 55 TYR CD2 . 7323 1 629 . 1 1 55 55 TYR CE1 C 13 117.948 0.3 . 3 . . . . 55 TYR CE1 . 7323 1 630 . 1 1 55 55 TYR CE2 C 13 117.948 0.3 . 3 . . . . 55 TYR CE2 . 7323 1 631 . 1 1 55 55 TYR N N 15 117.695 0.3 . 1 . . . . 55 TYR N . 7323 1 632 . 1 1 56 56 PRO HA H 1 4.231 0.015 . 1 . . . . 56 PRO HA . 7323 1 633 . 1 1 56 56 PRO HB2 H 1 2.135 0.015 . 1 . . . . 56 PRO HB2 . 7323 1 634 . 1 1 56 56 PRO HB3 H 1 1.878 0.015 . 1 . . . . 56 PRO HB3 . 7323 1 635 . 1 1 56 56 PRO HG2 H 1 1.820 0.015 . 1 . . . . 56 PRO HG2 . 7323 1 636 . 1 1 56 56 PRO HG3 H 1 1.770 0.015 . 1 . . . . 56 PRO HG3 . 7323 1 637 . 1 1 56 56 PRO HD2 H 1 3.404 0.015 . 1 . . . . 56 PRO HD2 . 7323 1 638 . 1 1 56 56 PRO HD3 H 1 3.058 0.015 . 1 . . . . 56 PRO HD3 . 7323 1 639 . 1 1 56 56 PRO CA C 13 62.884 0.3 . 1 . . . . 56 PRO CA . 7323 1 640 . 1 1 56 56 PRO CB C 13 32.168 0.3 . 1 . . . . 56 PRO CB . 7323 1 641 . 1 1 56 56 PRO CG C 13 27.048 0.3 . 1 . . . . 56 PRO CG . 7323 1 642 . 1 1 56 56 PRO CD C 13 50.415 0.3 . 1 . . . . 56 PRO CD . 7323 1 643 . 1 1 57 57 ARG H H 1 8.626 0.015 . 1 . . . . 57 ARG HN . 7323 1 644 . 1 1 57 57 ARG HA H 1 4.278 0.015 . 1 . . . . 57 ARG HA . 7323 1 645 . 1 1 57 57 ARG HB2 H 1 1.947 0.015 . 1 . . . . 57 ARG HB2 . 7323 1 646 . 1 1 57 57 ARG HB3 H 1 1.821 0.015 . 1 . . . . 57 ARG HB3 . 7323 1 647 . 1 1 57 57 ARG HG2 H 1 1.737 0.015 . 2 . . . . 57 ARG QG . 7323 1 648 . 1 1 57 57 ARG HG3 H 1 1.737 0.015 . 2 . . . . 57 ARG QG . 7323 1 649 . 1 1 57 57 ARG HD2 H 1 3.267 0.015 . 2 . . . . 57 ARG QD . 7323 1 650 . 1 1 57 57 ARG HD3 H 1 3.267 0.015 . 2 . . . . 57 ARG QD . 7323 1 651 . 1 1 57 57 ARG CA C 13 56.256 0.3 . 1 . . . . 57 ARG CA . 7323 1 652 . 1 1 57 57 ARG CB C 13 32.067 0.3 . 1 . . . . 57 ARG CB . 7323 1 653 . 1 1 57 57 ARG CG C 13 28.333 0.3 . 1 . . . . 57 ARG CG . 7323 1 654 . 1 1 57 57 ARG CD C 13 43.578 0.3 . 1 . . . . 57 ARG CD . 7323 1 655 . 1 1 57 57 ARG N N 15 121.919 0.3 . 1 . . . . 57 ARG N . 7323 1 656 . 1 1 58 58 ASP H H 1 8.341 0.015 . 1 . . . . 58 ASP HN . 7323 1 657 . 1 1 58 58 ASP HA H 1 4.467 0.015 . 1 . . . . 58 ASP HA . 7323 1 658 . 1 1 58 58 ASP HB2 H 1 2.781 0.015 . 1 . . . . 58 ASP HB2 . 7323 1 659 . 1 1 58 58 ASP HB3 H 1 2.718 0.015 . 1 . . . . 58 ASP HB3 . 7323 1 660 . 1 1 58 58 ASP CA C 13 55.179 0.3 . 1 . . . . 58 ASP CA . 7323 1 661 . 1 1 58 58 ASP CB C 13 40.727 0.3 . 1 . . . . 58 ASP CB . 7323 1 662 . 1 1 58 58 ASP N N 15 118.558 0.3 . 1 . . . . 58 ASP N . 7323 1 663 . 1 1 59 59 ASP H H 1 8.204 0.015 . 1 . . . . 59 ASP HN . 7323 1 664 . 1 1 59 59 ASP HA H 1 4.505 0.015 . 1 . . . . 59 ASP HA . 7323 1 665 . 1 1 59 59 ASP HB2 H 1 2.913 0.015 . 1 . . . . 59 ASP HB2 . 7323 1 666 . 1 1 59 59 ASP HB3 H 1 2.609 0.015 . 1 . . . . 59 ASP HB3 . 7323 1 667 . 1 1 59 59 ASP CA C 13 53.693 0.3 . 1 . . . . 59 ASP CA . 7323 1 668 . 1 1 59 59 ASP CB C 13 39.806 0.3 . 1 . . . . 59 ASP CB . 7323 1 669 . 1 1 59 59 ASP N N 15 116.452 0.3 . 1 . . . . 59 ASP N . 7323 1 670 . 1 1 60 60 ARG H H 1 7.547 0.015 . 1 . . . . 60 ARG HN . 7323 1 671 . 1 1 60 60 ARG HA H 1 4.566 0.015 . 1 . . . . 60 ARG HA . 7323 1 672 . 1 1 60 60 ARG HB2 H 1 1.967 0.015 . 1 . . . . 60 ARG HB2 . 7323 1 673 . 1 1 60 60 ARG HB3 H 1 1.888 0.015 . 1 . . . . 60 ARG HB3 . 7323 1 674 . 1 1 60 60 ARG HG2 H 1 1.585 0.015 . 2 . . . . 60 ARG QG . 7323 1 675 . 1 1 60 60 ARG HG3 H 1 1.585 0.015 . 2 . . . . 60 ARG QG . 7323 1 676 . 1 1 60 60 ARG HD2 H 1 3.037 0.015 . 2 . . . . 60 ARG QD . 7323 1 677 . 1 1 60 60 ARG HD3 H 1 3.037 0.015 . 2 . . . . 60 ARG QD . 7323 1 678 . 1 1 60 60 ARG CA C 13 54.776 0.3 . 1 . . . . 60 ARG CA . 7323 1 679 . 1 1 60 60 ARG CB C 13 31.611 0.3 . 1 . . . . 60 ARG CB . 7323 1 680 . 1 1 60 60 ARG CG C 13 25.592 0.3 . 1 . . . . 60 ARG CG . 7323 1 681 . 1 1 60 60 ARG CD C 13 44.005 0.3 . 1 . . . . 60 ARG CD . 7323 1 682 . 1 1 60 60 ARG N N 15 116.648 0.3 . 1 . . . . 60 ARG N . 7323 1 683 . 1 1 61 61 GLU H H 1 8.658 0.015 . 1 . . . . 61 GLU HN . 7323 1 684 . 1 1 61 61 GLU HA H 1 4.095 0.015 . 1 . . . . 61 GLU HA . 7323 1 685 . 1 1 61 61 GLU HB2 H 1 1.940 0.015 . 2 . . . . 61 GLU QB . 7323 1 686 . 1 1 61 61 GLU HB3 H 1 1.940 0.015 . 2 . . . . 61 GLU QB . 7323 1 687 . 1 1 61 61 GLU HG2 H 1 2.256 0.015 . 1 . . . . 61 GLU HG2 . 7323 1 688 . 1 1 61 61 GLU HG3 H 1 2.122 0.015 . 1 . . . . 61 GLU HG3 . 7323 1 689 . 1 1 61 61 GLU CA C 13 57.397 0.3 . 1 . . . . 61 GLU CA . 7323 1 690 . 1 1 61 61 GLU CB C 13 31.038 0.3 . 1 . . . . 61 GLU CB . 7323 1 691 . 1 1 61 61 GLU CG C 13 36.877 0.3 . 1 . . . . 61 GLU CG . 7323 1 692 . 1 1 61 61 GLU N N 15 121.886 0.3 . 1 . . . . 61 GLU N . 7323 1 693 . 1 1 62 62 ASP H H 1 8.879 0.015 . 1 . . . . 62 ASP HN . 7323 1 694 . 1 1 62 62 ASP HA H 1 4.544 0.015 . 1 . . . . 62 ASP HA . 7323 1 695 . 1 1 62 62 ASP HB2 H 1 2.819 0.015 . 1 . . . . 62 ASP HB2 . 7323 1 696 . 1 1 62 62 ASP HB3 H 1 2.648 0.015 . 1 . . . . 62 ASP HB3 . 7323 1 697 . 1 1 62 62 ASP CA C 13 52.781 0.3 . 1 . . . . 62 ASP CA . 7323 1 698 . 1 1 62 62 ASP CB C 13 38.942 0.3 . 1 . . . . 62 ASP CB . 7323 1 699 . 1 1 62 62 ASP N N 15 126.357 0.3 . 1 . . . . 62 ASP N . 7323 1 700 . 1 1 63 63 SER H H 1 7.818 0.015 . 1 . . . . 63 SER HN . 7323 1 701 . 1 1 63 63 SER HA H 1 4.884 0.015 . 1 . . . . 63 SER HA . 7323 1 702 . 1 1 63 63 SER HB2 H 1 4.231 0.015 . 1 . . . . 63 SER HB2 . 7323 1 703 . 1 1 63 63 SER HB3 H 1 3.901 0.015 . 1 . . . . 63 SER HB3 . 7323 1 704 . 1 1 63 63 SER CA C 13 55.862 0.3 . 1 . . . . 63 SER CA . 7323 1 705 . 1 1 63 63 SER CB C 13 63.636 0.3 . 1 . . . . 63 SER CB . 7323 1 706 . 1 1 63 63 SER N N 15 117.582 0.3 . 1 . . . . 63 SER N . 7323 1 707 . 1 1 64 64 PRO HA H 1 4.097 0.015 . 1 . . . . 64 PRO HA . 7323 1 708 . 1 1 64 64 PRO HB2 H 1 1.954 0.015 . 1 . . . . 64 PRO HB2 . 7323 1 709 . 1 1 64 64 PRO HB3 H 1 1.809 0.015 . 1 . . . . 64 PRO HB3 . 7323 1 710 . 1 1 64 64 PRO HG2 H 1 2.244 0.015 . 1 . . . . 64 PRO HG2 . 7323 1 711 . 1 1 64 64 PRO HG3 H 1 1.964 0.015 . 1 . . . . 64 PRO HG3 . 7323 1 712 . 1 1 64 64 PRO HD2 H 1 3.873 0.015 . 2 . . . . 64 PRO QD . 7323 1 713 . 1 1 64 64 PRO HD3 H 1 3.873 0.015 . 2 . . . . 64 PRO QD . 7323 1 714 . 1 1 64 64 PRO CA C 13 65.798 0.3 . 1 . . . . 64 PRO CA . 7323 1 715 . 1 1 64 64 PRO CB C 13 32.572 0.3 . 1 . . . . 64 PRO CB . 7323 1 716 . 1 1 64 64 PRO CG C 13 28.291 0.3 . 1 . . . . 64 PRO CG . 7323 1 717 . 1 1 64 64 PRO CD C 13 49.987 0.3 . 1 . . . . 64 PRO CD . 7323 1 718 . 1 1 65 65 GLU H H 1 9.238 0.015 . 1 . . . . 65 GLU HN . 7323 1 719 . 1 1 65 65 GLU HA H 1 3.796 0.015 . 1 . . . . 65 GLU HA . 7323 1 720 . 1 1 65 65 GLU HB2 H 1 2.062 0.015 . 1 . . . . 65 GLU HB2 . 7323 1 721 . 1 1 65 65 GLU HB3 H 1 1.865 0.015 . 1 . . . . 65 GLU HB3 . 7323 1 722 . 1 1 65 65 GLU HG2 H 1 2.573 0.015 . 1 . . . . 65 GLU HG2 . 7323 1 723 . 1 1 65 65 GLU HG3 H 1 2.256 0.015 . 1 . . . . 65 GLU HG3 . 7323 1 724 . 1 1 65 65 GLU CA C 13 61.530 0.3 . 1 . . . . 65 GLU CA . 7323 1 725 . 1 1 65 65 GLU CB C 13 28.618 0.3 . 1 . . . . 65 GLU CB . 7323 1 726 . 1 1 65 65 GLU CG C 13 38.021 0.3 . 1 . . . . 65 GLU CG . 7323 1 727 . 1 1 65 65 GLU N N 15 117.213 0.3 . 1 . . . . 65 GLU N . 7323 1 728 . 1 1 66 66 GLY H H 1 8.722 0.015 . 1 . . . . 66 GLY HN . 7323 1 729 . 1 1 66 66 GLY HA2 H 1 4.298 0.015 . 1 . . . . 66 GLY HA1 . 7323 1 730 . 1 1 66 66 GLY HA3 H 1 3.864 0.015 . 1 . . . . 66 GLY HA2 . 7323 1 731 . 1 1 66 66 GLY CA C 13 46.802 0.3 . 1 . . . . 66 GLY CA . 7323 1 732 . 1 1 66 66 GLY N N 15 112.022 0.3 . 1 . . . . 66 GLY N . 7323 1 733 . 1 1 67 67 ILE H H 1 8.304 0.015 . 1 . . . . 67 ILE HN . 7323 1 734 . 1 1 67 67 ILE HA H 1 3.586 0.015 . 1 . . . . 67 ILE HA . 7323 1 735 . 1 1 67 67 ILE HB H 1 2.062 0.015 . 1 . . . . 67 ILE HB . 7323 1 736 . 1 1 67 67 ILE HG12 H 1 1.993 0.015 . 1 . . . . 67 ILE HG12 . 7323 1 737 . 1 1 67 67 ILE HG13 H 1 0.768 0.015 . 1 . . . . 67 ILE HG13 . 7323 1 738 . 1 1 67 67 ILE HG21 H 1 0.913 0.015 . 1 . . . . 67 ILE QG2 . 7323 1 739 . 1 1 67 67 ILE HG22 H 1 0.913 0.015 . 1 . . . . 67 ILE QG2 . 7323 1 740 . 1 1 67 67 ILE HG23 H 1 0.913 0.015 . 1 . . . . 67 ILE QG2 . 7323 1 741 . 1 1 67 67 ILE HD11 H 1 0.528 0.015 . 1 . . . . 67 ILE QD1 . 7323 1 742 . 1 1 67 67 ILE HD12 H 1 0.528 0.015 . 1 . . . . 67 ILE QD1 . 7323 1 743 . 1 1 67 67 ILE HD13 H 1 0.528 0.015 . 1 . . . . 67 ILE QD1 . 7323 1 744 . 1 1 67 67 ILE CA C 13 66.083 0.3 . 1 . . . . 67 ILE CA . 7323 1 745 . 1 1 67 67 ILE CB C 13 38.324 0.3 . 1 . . . . 67 ILE CB . 7323 1 746 . 1 1 67 67 ILE CG1 C 13 29.279 0.3 . 1 . . . . 67 ILE CG1 . 7323 1 747 . 1 1 67 67 ILE CG2 C 13 18.232 0.3 . 1 . . . . 67 ILE CG2 . 7323 1 748 . 1 1 67 67 ILE CD1 C 13 15.299 0.3 . 1 . . . . 67 ILE CD1 . 7323 1 749 . 1 1 67 67 ILE N N 15 124.198 0.3 . 1 . . . . 67 ILE N . 7323 1 750 . 1 1 68 68 VAL H H 1 8.309 0.015 . 1 . . . . 68 VAL HN . 7323 1 751 . 1 1 68 68 VAL HA H 1 3.669 0.015 . 1 . . . . 68 VAL HA . 7323 1 752 . 1 1 68 68 VAL HB H 1 2.276 0.015 . 1 . . . . 68 VAL HB . 7323 1 753 . 1 1 68 68 VAL HG11 H 1 1.260 0.015 . 2 . . . . 68 VAL QG1 . 7323 1 754 . 1 1 68 68 VAL HG12 H 1 1.260 0.015 . 2 . . . . 68 VAL QG1 . 7323 1 755 . 1 1 68 68 VAL HG13 H 1 1.260 0.015 . 2 . . . . 68 VAL QG1 . 7323 1 756 . 1 1 68 68 VAL HG21 H 1 1.202 0.015 . 2 . . . . 68 VAL QG2 . 7323 1 757 . 1 1 68 68 VAL HG22 H 1 1.202 0.015 . 2 . . . . 68 VAL QG2 . 7323 1 758 . 1 1 68 68 VAL HG23 H 1 1.202 0.015 . 2 . . . . 68 VAL QG2 . 7323 1 759 . 1 1 68 68 VAL CA C 13 68.501 0.3 . 1 . . . . 68 VAL CA . 7323 1 760 . 1 1 68 68 VAL CB C 13 31.469 0.3 . 1 . . . . 68 VAL CB . 7323 1 761 . 1 1 68 68 VAL CG1 C 13 25.481 0.3 . 1 . . . . 68 VAL CG1 . 7323 1 762 . 1 1 68 68 VAL CG2 C 13 22.166 0.3 . 1 . . . . 68 VAL CG2 . 7323 1 763 . 1 1 68 68 VAL N N 15 118.409 0.3 . 1 . . . . 68 VAL N . 7323 1 764 . 1 1 69 69 LYS H H 1 8.198 0.015 . 1 . . . . 69 LYS HN . 7323 1 765 . 1 1 69 69 LYS HA H 1 4.118 0.015 . 1 . . . . 69 LYS HA . 7323 1 766 . 1 1 69 69 LYS HB2 H 1 2.132 0.015 . 1 . . . . 69 LYS HB2 . 7323 1 767 . 1 1 69 69 LYS HB3 H 1 1.948 0.015 . 1 . . . . 69 LYS HB3 . 7323 1 768 . 1 1 69 69 LYS HG2 H 1 1.532 0.015 . 1 . . . . 69 LYS HG2 . 7323 1 769 . 1 1 69 69 LYS HG3 H 1 1.428 0.015 . 1 . . . . 69 LYS HG3 . 7323 1 770 . 1 1 69 69 LYS HD2 H 1 1.755 0.015 . 2 . . . . 69 LYS QD . 7323 1 771 . 1 1 69 69 LYS HD3 H 1 1.755 0.015 . 2 . . . . 69 LYS QD . 7323 1 772 . 1 1 69 69 LYS HE2 H 1 3.044 0.015 . 2 . . . . 69 LYS QE . 7323 1 773 . 1 1 69 69 LYS HE3 H 1 3.044 0.015 . 2 . . . . 69 LYS QE . 7323 1 774 . 1 1 69 69 LYS CA C 13 60.391 0.3 . 1 . . . . 69 LYS CA . 7323 1 775 . 1 1 69 69 LYS CB C 13 32.608 0.3 . 1 . . . . 69 LYS CB . 7323 1 776 . 1 1 69 69 LYS CG C 13 25.057 0.3 . 1 . . . . 69 LYS CG . 7323 1 777 . 1 1 69 69 LYS CD C 13 29.901 0.3 . 1 . . . . 69 LYS CD . 7323 1 778 . 1 1 69 69 LYS CE C 13 42.291 0.3 . 1 . . . . 69 LYS CE . 7323 1 779 . 1 1 69 69 LYS N N 15 120.169 0.3 . 1 . . . . 69 LYS N . 7323 1 780 . 1 1 70 70 GLU H H 1 7.898 0.015 . 1 . . . . 70 GLU HN . 7323 1 781 . 1 1 70 70 GLU HA H 1 4.269 0.015 . 1 . . . . 70 GLU HA . 7323 1 782 . 1 1 70 70 GLU HB2 H 1 2.143 0.015 . 2 . . . . 70 GLU QB . 7323 1 783 . 1 1 70 70 GLU HB3 H 1 2.143 0.015 . 2 . . . . 70 GLU QB . 7323 1 784 . 1 1 70 70 GLU HG2 H 1 2.384 0.015 . 1 . . . . 70 GLU HG2 . 7323 1 785 . 1 1 70 70 GLU HG3 H 1 2.230 0.015 . 1 . . . . 70 GLU HG3 . 7323 1 786 . 1 1 70 70 GLU CA C 13 59.967 0.3 . 1 . . . . 70 GLU CA . 7323 1 787 . 1 1 70 70 GLU CB C 13 28.333 0.3 . 1 . . . . 70 GLU CB . 7323 1 788 . 1 1 70 70 GLU CG C 13 35.874 0.3 . 1 . . . . 70 GLU CG . 7323 1 789 . 1 1 70 70 GLU N N 15 119.004 0.3 . 1 . . . . 70 GLU N . 7323 1 790 . 1 1 71 71 ILE H H 1 8.395 0.015 . 1 . . . . 71 ILE HN . 7323 1 791 . 1 1 71 71 ILE HA H 1 3.853 0.015 . 1 . . . . 71 ILE HA . 7323 1 792 . 1 1 71 71 ILE HB H 1 2.319 0.015 . 1 . . . . 71 ILE HB . 7323 1 793 . 1 1 71 71 ILE HG12 H 1 1.740 0.015 . 1 . . . . 71 ILE HG12 . 7323 1 794 . 1 1 71 71 ILE HG13 H 1 1.477 0.015 . 1 . . . . 71 ILE HG13 . 7323 1 795 . 1 1 71 71 ILE HG21 H 1 0.752 0.015 . 1 . . . . 71 ILE QG2 . 7323 1 796 . 1 1 71 71 ILE HG22 H 1 0.752 0.015 . 1 . . . . 71 ILE QG2 . 7323 1 797 . 1 1 71 71 ILE HG23 H 1 0.752 0.015 . 1 . . . . 71 ILE QG2 . 7323 1 798 . 1 1 71 71 ILE HD11 H 1 0.870 0.015 . 1 . . . . 71 ILE QD1 . 7323 1 799 . 1 1 71 71 ILE HD12 H 1 0.870 0.015 . 1 . . . . 71 ILE QD1 . 7323 1 800 . 1 1 71 71 ILE HD13 H 1 0.870 0.015 . 1 . . . . 71 ILE QD1 . 7323 1 801 . 1 1 71 71 ILE CA C 13 64.405 0.3 . 1 . . . . 71 ILE CA . 7323 1 802 . 1 1 71 71 ILE CB C 13 37.450 0.3 . 1 . . . . 71 ILE CB . 7323 1 803 . 1 1 71 71 ILE CG1 C 13 28.042 0.3 . 1 . . . . 71 ILE CG1 . 7323 1 804 . 1 1 71 71 ILE CG2 C 13 17.927 0.3 . 1 . . . . 71 ILE CG2 . 7323 1 805 . 1 1 71 71 ILE CD1 C 13 14.228 0.3 . 1 . . . . 71 ILE CD1 . 7323 1 806 . 1 1 71 71 ILE N N 15 118.060 0.3 . 1 . . . . 71 ILE N . 7323 1 807 . 1 1 72 72 LYS H H 1 9.190 0.015 . 1 . . . . 72 LYS HN . 7323 1 808 . 1 1 72 72 LYS HA H 1 3.902 0.015 . 1 . . . . 72 LYS HA . 7323 1 809 . 1 1 72 72 LYS HB2 H 1 2.217 0.015 . 1 . . . . 72 LYS HB2 . 7323 1 810 . 1 1 72 72 LYS HB3 H 1 2.102 0.015 . 1 . . . . 72 LYS HB3 . 7323 1 811 . 1 1 72 72 LYS HG2 H 1 1.671 0.015 . 1 . . . . 72 LYS HG2 . 7323 1 812 . 1 1 72 72 LYS HG3 H 1 1.546 0.015 . 1 . . . . 72 LYS HG3 . 7323 1 813 . 1 1 72 72 LYS HD2 H 1 1.845 0.015 . 2 . . . . 72 LYS QD . 7323 1 814 . 1 1 72 72 LYS HD3 H 1 1.845 0.015 . 2 . . . . 72 LYS QD . 7323 1 815 . 1 1 72 72 LYS HE2 H 1 3.103 0.015 . 2 . . . . 72 LYS QE . 7323 1 816 . 1 1 72 72 LYS HE3 H 1 3.103 0.015 . 2 . . . . 72 LYS QE . 7323 1 817 . 1 1 72 72 LYS CA C 13 59.829 0.3 . 1 . . . . 72 LYS CA . 7323 1 818 . 1 1 72 72 LYS CB C 13 34.031 0.3 . 1 . . . . 72 LYS CB . 7323 1 819 . 1 1 72 72 LYS CG C 13 25.194 0.3 . 1 . . . . 72 LYS CG . 7323 1 820 . 1 1 72 72 LYS CD C 13 30.542 0.3 . 1 . . . . 72 LYS CD . 7323 1 821 . 1 1 72 72 LYS CE C 13 42.153 0.3 . 1 . . . . 72 LYS CE . 7323 1 822 . 1 1 72 72 LYS N N 15 121.086 0.3 . 1 . . . . 72 LYS N . 7323 1 823 . 1 1 73 73 GLU H H 1 8.655 0.015 . 1 . . . . 73 GLU HN . 7323 1 824 . 1 1 73 73 GLU HA H 1 4.099 0.015 . 1 . . . . 73 GLU HA . 7323 1 825 . 1 1 73 73 GLU HB2 H 1 2.283 0.015 . 1 . . . . 73 GLU HB2 . 7323 1 826 . 1 1 73 73 GLU HB3 H 1 2.109 0.015 . 1 . . . . 73 GLU HB3 . 7323 1 827 . 1 1 73 73 GLU HG2 H 1 2.693 0.015 . 1 . . . . 73 GLU HG2 . 7323 1 828 . 1 1 73 73 GLU HG3 H 1 2.350 0.015 . 1 . . . . 73 GLU HG3 . 7323 1 829 . 1 1 73 73 GLU CA C 13 59.249 0.3 . 1 . . . . 73 GLU CA . 7323 1 830 . 1 1 73 73 GLU CB C 13 29.374 0.3 . 1 . . . . 73 GLU CB . 7323 1 831 . 1 1 73 73 GLU CG C 13 36.945 0.3 . 1 . . . . 73 GLU CG . 7323 1 832 . 1 1 73 73 GLU N N 15 118.676 0.3 . 1 . . . . 73 GLU N . 7323 1 833 . 1 1 74 74 TRP H H 1 8.975 0.015 . 1 . . . . 74 TRP HN . 7323 1 834 . 1 1 74 74 TRP HA H 1 4.194 0.015 . 1 . . . . 74 TRP HA . 7323 1 835 . 1 1 74 74 TRP HB2 H 1 3.725 0.015 . 1 . . . . 74 TRP HB2 . 7323 1 836 . 1 1 74 74 TRP HB3 H 1 3.467 0.015 . 1 . . . . 74 TRP HB3 . 7323 1 837 . 1 1 74 74 TRP HD1 H 1 7.219 0.015 . 1 . . . . 74 TRP HD1 . 7323 1 838 . 1 1 74 74 TRP HE1 H 1 10.110 0.015 . 1 . . . . 74 TRP HE1 . 7323 1 839 . 1 1 74 74 TRP HE3 H 1 7.309 0.015 . 1 . . . . 74 TRP HE3 . 7323 1 840 . 1 1 74 74 TRP HZ2 H 1 7.233 0.015 . 1 . . . . 74 TRP HZ2 . 7323 1 841 . 1 1 74 74 TRP HZ3 H 1 6.913 0.015 . 1 . . . . 74 TRP HZ3 . 7323 1 842 . 1 1 74 74 TRP HH2 H 1 7.010 0.015 . 1 . . . . 74 TRP HH2 . 7323 1 843 . 1 1 74 74 TRP CA C 13 63.099 0.3 . 1 . . . . 74 TRP CA . 7323 1 844 . 1 1 74 74 TRP CB C 13 29.189 0.3 . 1 . . . . 74 TRP CB . 7323 1 845 . 1 1 74 74 TRP CD1 C 13 126.950 0.3 . 1 . . . . 74 TRP CD1 . 7323 1 846 . 1 1 74 74 TRP CE3 C 13 118.785 0.3 . 1 . . . . 74 TRP CE3 . 7323 1 847 . 1 1 74 74 TRP CZ2 C 13 114.698 0.3 . 1 . . . . 74 TRP CZ2 . 7323 1 848 . 1 1 74 74 TRP CZ3 C 13 121.294 0.3 . 1 . . . . 74 TRP CZ3 . 7323 1 849 . 1 1 74 74 TRP CH2 C 13 124.285 0.3 . 1 . . . . 74 TRP CH2 . 7323 1 850 . 1 1 74 74 TRP N N 15 122.909 0.3 . 1 . . . . 74 TRP N . 7323 1 851 . 1 1 74 74 TRP NE1 N 15 129.600 0.3 . 1 . . . . 74 TRP NE1 . 7323 1 852 . 1 1 75 75 ARG H H 1 9.126 0.015 . 1 . . . . 75 ARG HN . 7323 1 853 . 1 1 75 75 ARG HA H 1 3.243 0.015 . 1 . . . . 75 ARG HA . 7323 1 854 . 1 1 75 75 ARG HB2 H 1 1.796 0.015 . 1 . . . . 75 ARG HB2 . 7323 1 855 . 1 1 75 75 ARG HB3 H 1 1.556 0.015 . 1 . . . . 75 ARG HB3 . 7323 1 856 . 1 1 75 75 ARG HG2 H 1 2.375 0.015 . 2 . . . . 75 ARG QG . 7323 1 857 . 1 1 75 75 ARG HG3 H 1 2.375 0.015 . 2 . . . . 75 ARG QG . 7323 1 858 . 1 1 75 75 ARG HD2 H 1 3.234 0.015 . 1 . . . . 75 ARG HD2 . 7323 1 859 . 1 1 75 75 ARG HD3 H 1 3.067 0.015 . 1 . . . . 75 ARG HD3 . 7323 1 860 . 1 1 75 75 ARG CA C 13 61.255 0.3 . 1 . . . . 75 ARG CA . 7323 1 861 . 1 1 75 75 ARG CB C 13 29.109 0.3 . 1 . . . . 75 ARG CB . 7323 1 862 . 1 1 75 75 ARG CG C 13 30.174 0.3 . 1 . . . . 75 ARG CG . 7323 1 863 . 1 1 75 75 ARG CD C 13 42.151 0.3 . 1 . . . . 75 ARG CD . 7323 1 864 . 1 1 75 75 ARG N N 15 118.844 0.3 . 1 . . . . 75 ARG N . 7323 1 865 . 1 1 76 76 ALA H H 1 7.538 0.015 . 1 . . . . 76 ALA HN . 7323 1 866 . 1 1 76 76 ALA HA H 1 4.163 0.015 . 1 . . . . 76 ALA HA . 7323 1 867 . 1 1 76 76 ALA HB1 H 1 1.458 0.015 . 1 . . . . 76 ALA QB . 7323 1 868 . 1 1 76 76 ALA HB2 H 1 1.458 0.015 . 1 . . . . 76 ALA QB . 7323 1 869 . 1 1 76 76 ALA HB3 H 1 1.458 0.015 . 1 . . . . 76 ALA QB . 7323 1 870 . 1 1 76 76 ALA CA C 13 55.116 0.3 . 1 . . . . 76 ALA CA . 7323 1 871 . 1 1 76 76 ALA CB C 13 18.072 0.3 . 1 . . . . 76 ALA CB . 7323 1 872 . 1 1 76 76 ALA N N 15 120.017 0.3 . 1 . . . . 76 ALA N . 7323 1 873 . 1 1 77 77 ALA H H 1 7.958 0.015 . 1 . . . . 77 ALA HN . 7323 1 874 . 1 1 77 77 ALA HA H 1 4.123 0.015 . 1 . . . . 77 ALA HA . 7323 1 875 . 1 1 77 77 ALA HB1 H 1 1.361 0.015 . 1 . . . . 77 ALA QB . 7323 1 876 . 1 1 77 77 ALA HB2 H 1 1.361 0.015 . 1 . . . . 77 ALA QB . 7323 1 877 . 1 1 77 77 ALA HB3 H 1 1.361 0.015 . 1 . . . . 77 ALA QB . 7323 1 878 . 1 1 77 77 ALA CA C 13 53.835 0.3 . 1 . . . . 77 ALA CA . 7323 1 879 . 1 1 77 77 ALA CB C 13 18.360 0.3 . 1 . . . . 77 ALA CB . 7323 1 880 . 1 1 77 77 ALA N N 15 120.251 0.3 . 1 . . . . 77 ALA N . 7323 1 881 . 1 1 78 78 ASN H H 1 7.061 0.015 . 1 . . . . 78 ASN HN . 7323 1 882 . 1 1 78 78 ASN HA H 1 4.500 0.015 . 1 . . . . 78 ASN HA . 7323 1 883 . 1 1 78 78 ASN HB2 H 1 2.239 0.015 . 1 . . . . 78 ASN HB2 . 7323 1 884 . 1 1 78 78 ASN HB3 H 1 1.184 0.015 . 1 . . . . 78 ASN HB3 . 7323 1 885 . 1 1 78 78 ASN CA C 13 53.252 0.3 . 1 . . . . 78 ASN CA . 7323 1 886 . 1 1 78 78 ASN CB C 13 38.877 0.3 . 1 . . . . 78 ASN CB . 7323 1 887 . 1 1 78 78 ASN N N 15 113.776 0.3 . 1 . . . . 78 ASN N . 7323 1 888 . 1 1 78 78 ASN ND2 N 15 115.730 0.3 . 1 . . . . 78 ASN ND2 . 7323 1 889 . 1 1 78 78 ASN HD21 H 1 6.518 0.015 . 2 . . . . 78 ASN QD2 . 7323 1 890 . 1 1 78 78 ASN HD22 H 1 6.518 0.015 . 2 . . . . 78 ASN QD2 . 7323 1 891 . 1 1 79 79 GLY H H 1 7.549 0.015 . 1 . . . . 79 GLY HN . 7323 1 892 . 1 1 79 79 GLY HA2 H 1 3.810 0.015 . 2 . . . . 79 GLY QA . 7323 1 893 . 1 1 79 79 GLY HA3 H 1 3.810 0.015 . 2 . . . . 79 GLY QA . 7323 1 894 . 1 1 79 79 GLY CA C 13 47.029 0.3 . 1 . . . . 79 GLY CA . 7323 1 895 . 1 1 79 79 GLY N N 15 107.705 0.3 . 1 . . . . 79 GLY N . 7323 1 896 . 1 1 80 80 LYS H H 1 8.016 0.015 . 1 . . . . 80 LYS HN . 7323 1 897 . 1 1 80 80 LYS HA H 1 4.528 0.015 . 1 . . . . 80 LYS HA . 7323 1 898 . 1 1 80 80 LYS HB2 H 1 1.920 0.015 . 1 . . . . 80 LYS HB2 . 7323 1 899 . 1 1 80 80 LYS HB3 H 1 1.368 0.015 . 1 . . . . 80 LYS HB3 . 7323 1 900 . 1 1 80 80 LYS HG2 H 1 1.222 0.015 . 1 . . . . 80 LYS HG2 . 7323 1 901 . 1 1 80 80 LYS HG3 H 1 1.099 0.015 . 1 . . . . 80 LYS HG3 . 7323 1 902 . 1 1 80 80 LYS HD2 H 1 1.622 0.015 . 1 . . . . 80 LYS HD2 . 7323 1 903 . 1 1 80 80 LYS HD3 H 1 1.463 0.015 . 1 . . . . 80 LYS HD3 . 7323 1 904 . 1 1 80 80 LYS HE2 H 1 3.116 0.015 . 1 . . . . 80 LYS HE2 . 7323 1 905 . 1 1 80 80 LYS HE3 H 1 2.845 0.015 . 1 . . . . 80 LYS HE3 . 7323 1 906 . 1 1 80 80 LYS CA C 13 53.969 0.3 . 1 . . . . 80 LYS CA . 7323 1 907 . 1 1 80 80 LYS CB C 13 33.598 0.3 . 1 . . . . 80 LYS CB . 7323 1 908 . 1 1 80 80 LYS CG C 13 25.201 0.3 . 1 . . . . 80 LYS CG . 7323 1 909 . 1 1 80 80 LYS CD C 13 28.915 0.3 . 1 . . . . 80 LYS CD . 7323 1 910 . 1 1 80 80 LYS CE C 13 42.580 0.3 . 1 . . . . 80 LYS CE . 7323 1 911 . 1 1 80 80 LYS N N 15 117.979 0.3 . 1 . . . . 80 LYS N . 7323 1 912 . 1 1 81 81 SER H H 1 8.667 0.015 . 1 . . . . 81 SER HN . 7323 1 913 . 1 1 81 81 SER HA H 1 4.081 0.015 . 1 . . . . 81 SER HA . 7323 1 914 . 1 1 81 81 SER HB2 H 1 3.951 0.015 . 1 . . . . 81 SER HB2 . 7323 1 915 . 1 1 81 81 SER HB3 H 1 3.895 0.015 . 1 . . . . 81 SER HB3 . 7323 1 916 . 1 1 81 81 SER CA C 13 58.840 0.3 . 1 . . . . 81 SER CA . 7323 1 917 . 1 1 81 81 SER CB C 13 63.872 0.3 . 1 . . . . 81 SER CB . 7323 1 918 . 1 1 81 81 SER N N 15 118.074 0.3 . 1 . . . . 81 SER N . 7323 1 919 . 1 1 82 82 GLY H H 1 8.341 0.015 . 1 . . . . 82 GLY HN . 7323 1 920 . 1 1 82 82 GLY HA2 H 1 4.234 0.015 . 1 . . . . 82 GLY HA1 . 7323 1 921 . 1 1 82 82 GLY HA3 H 1 3.546 0.015 . 1 . . . . 82 GLY HA2 . 7323 1 922 . 1 1 82 82 GLY CA C 13 43.194 0.3 . 1 . . . . 82 GLY CA . 7323 1 923 . 1 1 82 82 GLY N N 15 109.538 0.3 . 1 . . . . 82 GLY N . 7323 1 924 . 1 1 83 83 PHE H H 1 7.890 0.015 . 1 . . . . 83 PHE HN . 7323 1 925 . 1 1 83 83 PHE HA H 1 4.603 0.015 . 1 . . . . 83 PHE HA . 7323 1 926 . 1 1 83 83 PHE HB2 H 1 3.638 0.015 . 1 . . . . 83 PHE HB2 . 7323 1 927 . 1 1 83 83 PHE HB3 H 1 2.665 0.015 . 1 . . . . 83 PHE HB3 . 7323 1 928 . 1 1 83 83 PHE HD1 H 1 7.433 0.015 . 3 . . . . 83 PHE QD . 7323 1 929 . 1 1 83 83 PHE HD2 H 1 7.433 0.015 . 3 . . . . 83 PHE QD . 7323 1 930 . 1 1 83 83 PHE HE1 H 1 6.678 0.015 . 3 . . . . 83 PHE QE . 7323 1 931 . 1 1 83 83 PHE HE2 H 1 6.678 0.015 . 3 . . . . 83 PHE QE . 7323 1 932 . 1 1 83 83 PHE HZ H 1 6.758 0.015 . 1 . . . . 83 PHE HZ . 7323 1 933 . 1 1 83 83 PHE CA C 13 58.675 0.3 . 1 . . . . 83 PHE CA . 7323 1 934 . 1 1 83 83 PHE CB C 13 39.807 0.3 . 1 . . . . 83 PHE CB . 7323 1 935 . 1 1 83 83 PHE CD1 C 13 131.954 0.3 . 3 . . . . 83 PHE CD1 . 7323 1 936 . 1 1 83 83 PHE CD2 C 13 131.954 0.3 . 3 . . . . 83 PHE CD2 . 7323 1 937 . 1 1 83 83 PHE CE1 C 13 130.660 0.3 . 3 . . . . 83 PHE CE1 . 7323 1 938 . 1 1 83 83 PHE CE2 C 13 130.660 0.3 . 3 . . . . 83 PHE CE2 . 7323 1 939 . 1 1 83 83 PHE CZ C 13 127.648 0.3 . 1 . . . . 83 PHE CZ . 7323 1 940 . 1 1 83 83 PHE N N 15 116.353 0.3 . 1 . . . . 83 PHE N . 7323 1 941 . 1 1 84 84 LYS H H 1 8.545 0.015 . 1 . . . . 84 LYS HN . 7323 1 942 . 1 1 84 84 LYS HA H 1 4.177 0.015 . 1 . . . . 84 LYS HA . 7323 1 943 . 1 1 84 84 LYS HB2 H 1 1.885 0.015 . 1 . . . . 84 LYS HB2 . 7323 1 944 . 1 1 84 84 LYS HB3 H 1 1.425 0.015 . 1 . . . . 84 LYS HB3 . 7323 1 945 . 1 1 84 84 LYS HG2 H 1 1.429 0.015 . 2 . . . . 84 LYS QG . 7323 1 946 . 1 1 84 84 LYS HG3 H 1 1.429 0.015 . 2 . . . . 84 LYS QG . 7323 1 947 . 1 1 84 84 LYS HD2 H 1 1.656 0.015 . 2 . . . . 84 LYS QD . 7323 1 948 . 1 1 84 84 LYS HD3 H 1 1.656 0.015 . 2 . . . . 84 LYS QD . 7323 1 949 . 1 1 84 84 LYS HE2 H 1 2.948 0.015 . 2 . . . . 84 LYS QE . 7323 1 950 . 1 1 84 84 LYS HE3 H 1 2.948 0.015 . 2 . . . . 84 LYS QE . 7323 1 951 . 1 1 84 84 LYS CA C 13 57.198 0.3 . 1 . . . . 84 LYS CA . 7323 1 952 . 1 1 84 84 LYS CB C 13 32.607 0.3 . 1 . . . . 84 LYS CB . 7323 1 953 . 1 1 84 84 LYS CG C 13 24.546 0.3 . 1 . . . . 84 LYS CG . 7323 1 954 . 1 1 84 84 LYS CD C 13 29.899 0.3 . 1 . . . . 84 LYS CD . 7323 1 955 . 1 1 84 84 LYS CE C 13 42.153 0.3 . 1 . . . . 84 LYS CE . 7323 1 956 . 1 1 84 84 LYS N N 15 124.109 0.3 . 1 . . . . 84 LYS N . 7323 1 957 . 1 1 85 85 GLN H H 1 8.721 0.015 . 1 . . . . 85 GLN HN . 7323 1 958 . 1 1 85 85 GLN HA H 1 4.307 0.015 . 1 . . . . 85 GLN HA . 7323 1 959 . 1 1 85 85 GLN HB2 H 1 2.168 0.015 . 1 . . . . 85 GLN HB2 . 7323 1 960 . 1 1 85 85 GLN HB3 H 1 2.062 0.015 . 1 . . . . 85 GLN HB3 . 7323 1 961 . 1 1 85 85 GLN HG2 H 1 2.484 0.015 . 2 . . . . 85 GLN QG . 7323 1 962 . 1 1 85 85 GLN HG3 H 1 2.484 0.015 . 2 . . . . 85 GLN QG . 7323 1 963 . 1 1 85 85 GLN HE21 H 1 7.709 0.015 . 1 . . . . 85 GLN HE21 . 7323 1 964 . 1 1 85 85 GLN HE22 H 1 7.002 0.015 . 1 . . . . 85 GLN HE22 . 7323 1 965 . 1 1 85 85 GLN CA C 13 56.399 0.3 . 1 . . . . 85 GLN CA . 7323 1 966 . 1 1 85 85 GLN CB C 13 29.337 0.3 . 1 . . . . 85 GLN CB . 7323 1 967 . 1 1 85 85 GLN CG C 13 34.032 0.3 . 1 . . . . 85 GLN CG . 7323 1 968 . 1 1 85 85 GLN N N 15 125.401 0.3 . 1 . . . . 85 GLN N . 7323 1 969 . 1 1 85 85 GLN NE2 N 15 112.360 0.3 . 1 . . . . 85 GLN NE2 . 7323 1 970 . 1 1 86 86 GLY H H 1 8.077 0.015 . 1 . . . . 86 GLY HN . 7323 1 971 . 1 1 86 86 GLY HA2 H 1 3.810 0.015 . 2 . . . . 86 GLY QA . 7323 1 972 . 1 1 86 86 GLY HA3 H 1 3.810 0.015 . 2 . . . . 86 GLY QA . 7323 1 973 . 1 1 86 86 GLY CA C 13 46.071 0.3 . 1 . . . . 86 GLY CA . 7323 1 974 . 1 1 86 86 GLY N N 15 116.940 0.3 . 1 . . . . 86 GLY N . 7323 1 stop_ save_