data_4145 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4145 _Entry.Title ; Assignment of 1H and 15N Resonances of Murine Tec SH3 Domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-05-27 _Entry.Accession_date 1998-05-27 _Entry.Last_release_date 1999-02-03 _Entry.Original_release_date 1999-02-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Sharon Pursglove . E. . 4145 2 Terrence Mulhern . D. . 4145 3 Grant Booker . W. . 4145 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4145 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 76 4145 '1H chemical shifts' 459 4145 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 . . 1999-02-03 1998-05-26 original author . 4145 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4145 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99052120 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Pursglove, S. E., Mulhern, T. D., Hinds, M. G., Norton, R. S., and Booker, G. W., "Assignment of 1H and 15N Resonances of Murine Tec SH3 Domain," J. Biomol. NMR 12, 461-462 (1998). ; _Citation.Title 'Assignment of 1H and 15N Resonances of Murine Tec SH3 Domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of Biomolecular NMR' _Citation.Journal_volume 12 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 461 _Citation.Page_last 462 _Citation.Year 1998 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Sharon Pursglove . E. . 4145 1 2 Terrence Mulhern . D. . 4145 1 3 Mark Hinds . G. . 4145 1 4 Raymond Norton . S. . 4145 1 5 Grant Booker . W. . 4145 1 stop_ save_ save_citation_one _Citation.Sf_category citations _Citation.Sf_framecode citation_one _Citation.Entry_ID 4145 _Citation.ID 2 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Bartel, Ch., Xia, T.H., Billeter, P., Guntert, P. and Wuthrich K. J. Biomol. NMR 5, 1-10 (1995). ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ save_citation_two _Citation.Sf_category citations _Citation.Sf_framecode citation_two _Citation.Entry_ID 4145 _Citation.ID 3 _Citation.Class 'reference citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Wishart, D. S., Bigam, C. G., Yao, J., Abildgaard, F., Dyson, H. J., Oldfield, E., Markley, J. L., and Sykes, B. D. J. Biomol. NMR 6, 135-140 (1995). ; _Citation.Title . _Citation.Status . _Citation.Type . _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Tec_SH3 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Tec_SH3 _Assembly.Entry_ID 4145 _Assembly.ID 1 _Assembly.Name 'Tec Src Homology 3 (SH3) domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4145 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 Tec_SH3 1 $Tec_SH3 . . . native . . . . . 4145 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Tec SH3' abbreviation 4145 1 'Tec Src Homology 3 (SH3) domain' system 4145 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Tec_SH3 _Entity.Sf_category entity _Entity.Sf_framecode Tec_SH3 _Entity.Entry_ID 4145 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Tec src homology 3 (SH3) domain' _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 ; GSEIVVAMYDFQATEAHDLR LERGQEYIILEKNDLHWWRA RDKYGSEGYIPSNYVTGKKS NNLDQYD ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 67 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1GL5 . "Nmr Structure Of The Sh3 Domain From The Tec Protein Tyrosine Kinase" . . . . . 100.00 67 100.00 100.00 3.42e-41 . . . . 4145 1 2 no DBJ BAE23957 . "unnamed protein product [Mus musculus]" . . . . . 97.01 630 98.46 100.00 2.63e-36 . . . . 4145 1 3 no DBJ BAE32599 . "unnamed protein product [Mus musculus]" . . . . . 97.01 630 98.46 100.00 2.63e-36 . . . . 4145 1 4 no DBJ BAE40357 . "unnamed protein product [Mus musculus]" . . . . . 62.69 608 100.00 100.00 6.64e-20 . . . . 4145 1 5 no DBJ BAE41897 . "unnamed protein product [Mus musculus]" . . . . . 62.69 608 100.00 100.00 7.40e-20 . . . . 4145 1 6 no EMBL CAA39196 . "protein-tyrosine kinase [Mus musculus]" . . . . . 62.69 527 100.00 100.00 5.62e-20 . . . . 4145 1 7 no GB AAA13515 . "protein tyrosine kinase [Mus sp.]" . . . . . 97.01 630 98.46 100.00 2.74e-36 . . . . 4145 1 8 no GB AAD43402 . "protein tyrosine kinase TecIV [Mus musculus]" . . . . . 97.01 630 98.46 100.00 2.63e-36 . . . . 4145 1 9 no GB AAD43405 . "protein tyrosine kinase TecIIB [Mus musculus]" . . . . . 97.01 624 98.46 100.00 2.28e-36 . . . . 4145 1 10 no GB AAD43406 . "protein tyrosine kinase TecIII [Mus musculus]" . . . . . 62.69 608 100.00 100.00 7.40e-20 . . . . 4145 1 11 no GB AAD43407 . "protein tyrosine kinase TecIIA [Mus musculus]" . . . . . 62.69 602 100.00 100.00 5.35e-20 . . . . 4145 1 12 no REF NP_001106931 . "tyrosine-protein kinase Tec isoform a [Mus musculus]" . . . . . 97.01 630 98.46 100.00 2.63e-36 . . . . 4145 1 13 no REF NP_001106932 . "tyrosine-protein kinase Tec isoform b [Mus musculus]" . . . . . 62.69 608 100.00 100.00 7.40e-20 . . . . 4145 1 14 no REF NP_001106935 . "tyrosine-protein kinase Tec isoform a [Mus musculus]" . . . . . 97.01 630 98.46 100.00 2.63e-36 . . . . 4145 1 15 no REF NP_038717 . "tyrosine-protein kinase Tec isoform c [Mus musculus]" . . . . . 62.69 527 100.00 100.00 5.91e-20 . . . . 4145 1 16 no REF NP_445884 . "tyrosine-protein kinase Tec [Rattus norvegicus]" . . . . . 97.01 629 96.92 98.46 1.52e-35 . . . . 4145 1 17 no SP P24604 . "RecName: Full=Tyrosine-protein kinase Tec" . . . . . 97.01 630 98.46 100.00 2.74e-36 . . . . 4145 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Tec SH3' abbreviation 4145 1 'Tec src homology 3 (SH3) domain' common 4145 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 4145 1 2 . SER . 4145 1 3 . GLU . 4145 1 4 . ILE . 4145 1 5 . VAL . 4145 1 6 . VAL . 4145 1 7 . ALA . 4145 1 8 . MET . 4145 1 9 . TYR . 4145 1 10 . ASP . 4145 1 11 . PHE . 4145 1 12 . GLN . 4145 1 13 . ALA . 4145 1 14 . THR . 4145 1 15 . GLU . 4145 1 16 . ALA . 4145 1 17 . HIS . 4145 1 18 . ASP . 4145 1 19 . LEU . 4145 1 20 . ARG . 4145 1 21 . LEU . 4145 1 22 . GLU . 4145 1 23 . ARG . 4145 1 24 . GLY . 4145 1 25 . GLN . 4145 1 26 . GLU . 4145 1 27 . TYR . 4145 1 28 . ILE . 4145 1 29 . ILE . 4145 1 30 . LEU . 4145 1 31 . GLU . 4145 1 32 . LYS . 4145 1 33 . ASN . 4145 1 34 . ASP . 4145 1 35 . LEU . 4145 1 36 . HIS . 4145 1 37 . TRP . 4145 1 38 . TRP . 4145 1 39 . ARG . 4145 1 40 . ALA . 4145 1 41 . ARG . 4145 1 42 . ASP . 4145 1 43 . LYS . 4145 1 44 . TYR . 4145 1 45 . GLY . 4145 1 46 . SER . 4145 1 47 . GLU . 4145 1 48 . GLY . 4145 1 49 . TYR . 4145 1 50 . ILE . 4145 1 51 . PRO . 4145 1 52 . SER . 4145 1 53 . ASN . 4145 1 54 . TYR . 4145 1 55 . VAL . 4145 1 56 . THR . 4145 1 57 . GLY . 4145 1 58 . LYS . 4145 1 59 . LYS . 4145 1 60 . SER . 4145 1 61 . ASN . 4145 1 62 . ASN . 4145 1 63 . LEU . 4145 1 64 . ASP . 4145 1 65 . GLN . 4145 1 66 . TYR . 4145 1 67 . ASP . 4145 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4145 1 . SER 2 2 4145 1 . GLU 3 3 4145 1 . ILE 4 4 4145 1 . VAL 5 5 4145 1 . VAL 6 6 4145 1 . ALA 7 7 4145 1 . MET 8 8 4145 1 . TYR 9 9 4145 1 . ASP 10 10 4145 1 . PHE 11 11 4145 1 . GLN 12 12 4145 1 . ALA 13 13 4145 1 . THR 14 14 4145 1 . GLU 15 15 4145 1 . ALA 16 16 4145 1 . HIS 17 17 4145 1 . ASP 18 18 4145 1 . LEU 19 19 4145 1 . ARG 20 20 4145 1 . LEU 21 21 4145 1 . GLU 22 22 4145 1 . ARG 23 23 4145 1 . GLY 24 24 4145 1 . GLN 25 25 4145 1 . GLU 26 26 4145 1 . TYR 27 27 4145 1 . ILE 28 28 4145 1 . ILE 29 29 4145 1 . LEU 30 30 4145 1 . GLU 31 31 4145 1 . LYS 32 32 4145 1 . ASN 33 33 4145 1 . ASP 34 34 4145 1 . LEU 35 35 4145 1 . HIS 36 36 4145 1 . TRP 37 37 4145 1 . TRP 38 38 4145 1 . ARG 39 39 4145 1 . ALA 40 40 4145 1 . ARG 41 41 4145 1 . ASP 42 42 4145 1 . LYS 43 43 4145 1 . TYR 44 44 4145 1 . GLY 45 45 4145 1 . SER 46 46 4145 1 . GLU 47 47 4145 1 . GLY 48 48 4145 1 . TYR 49 49 4145 1 . ILE 50 50 4145 1 . PRO 51 51 4145 1 . SER 52 52 4145 1 . ASN 53 53 4145 1 . TYR 54 54 4145 1 . VAL 55 55 4145 1 . THR 56 56 4145 1 . GLY 57 57 4145 1 . LYS 58 58 4145 1 . LYS 59 59 4145 1 . SER 60 60 4145 1 . ASN 61 61 4145 1 . ASN 62 62 4145 1 . LEU 63 63 4145 1 . ASP 64 64 4145 1 . GLN 65 65 4145 1 . TYR 66 66 4145 1 . ASP 67 67 4145 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 4145 _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 $Tec_SH3 . 10090 organism . 'Mus musculus' mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 4145 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 4145 _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 $Tec_SH3 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) pGex-4T-2 . . . . . . . . . . . plasmid . . . . . . . . . 4145 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4145 _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 'Tec src homology 3 (SH3) domain' [U-15N] . . 1 $Tec_SH3 . . . 1.25 2 mM . . . . 4145 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4145 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.0 0.1 n/a 4145 1 temperature 298 0.2 K 4145 1 stop_ save_ ############################ # Computer software used # ############################ save_software_one _Software.Sf_category software _Software.Sf_framecode software_one _Software.Entry_ID 4145 _Software.ID 1 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Software_citation.Citation_ID _Software_citation.Citation_label _Software_citation.Entry_ID _Software_citation.Software_ID 2 $citation_one 4145 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_one _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_one _NMR_spectrometer.Entry_ID 4145 _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_NMR_spectrometer_two _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_two _NMR_spectrometer.Entry_ID 4145 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_three _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_three _NMR_spectrometer.Entry_ID 4145 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4145 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_one Varian Inova . 600 . . . 4145 1 2 NMR_spectrometer_two Bruker AMX . 500 . . . 4145 1 3 NMR_spectrometer_three Bruker DRX . 600 . . . 4145 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 4145 _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 '1H-15N TOCSY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4145 1 2 '1H-15N NOESY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4145 1 3 'H20 TOCSY, NOESY, COSY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4145 1 4 'D20 TOCSY, NOESY, COSY' . . . . . . . . . . . 1 $sample_one . . . 1 $sample_conditions_one . . . . . . . . . . . . . . . . . . . . . 4145 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4145 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4145 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4145 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 'H20 TOCSY, NOESY, COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4145 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 'D20 TOCSY, NOESY, COSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $software_one _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4145 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.0 . . . 3 $citation_two . . . . 4145 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . 3 $citation_two . . . . 4145 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one _Assigned_chem_shift_list.Entry_ID 4145 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 4145 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 SER HA H 1 4.622 0.001 . 1 . . . . . . . . 4145 1 2 . 1 1 2 2 SER HB2 H 1 3.926 0.007 . 2 . . . . . . . . 4145 1 3 . 1 1 2 2 SER HB3 H 1 3.792 0.003 . 2 . . . . . . . . 4145 1 4 . 1 1 3 3 GLU H H 1 8.865 0.000 . 1 . . . . . . . . 4145 1 5 . 1 1 3 3 GLU HA H 1 4.456 0.001 . 1 . . . . . . . . 4145 1 6 . 1 1 3 3 GLU HB2 H 1 1.978 0.000 . 1 . . . . . . . . 4145 1 7 . 1 1 3 3 GLU HB3 H 1 1.978 0.000 . 1 . . . . . . . . 4145 1 8 . 1 1 3 3 GLU HG2 H 1 2.104 0.003 . 1 . . . . . . . . 4145 1 9 . 1 1 3 3 GLU HG3 H 1 2.104 0.003 . 1 . . . . . . . . 4145 1 10 . 1 1 3 3 GLU N N 15 125.52 0.000 . 1 . . . . . . . . 4145 1 11 . 1 1 4 4 ILE H H 1 8.346 0.000 . 1 . . . . . . . . 4145 1 12 . 1 1 4 4 ILE HA H 1 5.052 0.004 . 1 . . . . . . . . 4145 1 13 . 1 1 4 4 ILE HB H 1 1.824 0.011 . 1 . . . . . . . . 4145 1 14 . 1 1 4 4 ILE HG12 H 1 1.608 0.005 . 2 . . . . . . . . 4145 1 15 . 1 1 4 4 ILE HG13 H 1 1.201 0.005 . 2 . . . . . . . . 4145 1 16 . 1 1 4 4 ILE HG21 H 1 0.982 0.001 . 1 . . . . . . . . 4145 1 17 . 1 1 4 4 ILE HG22 H 1 0.982 0.001 . 1 . . . . . . . . 4145 1 18 . 1 1 4 4 ILE HG23 H 1 0.982 0.001 . 1 . . . . . . . . 4145 1 19 . 1 1 4 4 ILE HD11 H 1 0.890 0.007 . 1 . . . . . . . . 4145 1 20 . 1 1 4 4 ILE HD12 H 1 0.890 0.007 . 1 . . . . . . . . 4145 1 21 . 1 1 4 4 ILE HD13 H 1 0.890 0.007 . 1 . . . . . . . . 4145 1 22 . 1 1 4 4 ILE N N 15 125.22 0.000 . 1 . . . . . . . . 4145 1 23 . 1 1 5 5 VAL H H 1 9.261 0.000 . 1 . . . . . . . . 4145 1 24 . 1 1 5 5 VAL HA H 1 5.266 0.000 . 1 . . . . . . . . 4145 1 25 . 1 1 5 5 VAL HB H 1 2.293 0.001 . 1 . . . . . . . . 4145 1 26 . 1 1 5 5 VAL HG11 H 1 1.029 0.001 . 2 . . . . . . . . 4145 1 27 . 1 1 5 5 VAL HG12 H 1 1.029 0.001 . 2 . . . . . . . . 4145 1 28 . 1 1 5 5 VAL HG13 H 1 1.029 0.001 . 2 . . . . . . . . 4145 1 29 . 1 1 5 5 VAL HG21 H 1 0.986 0.001 . 2 . . . . . . . . 4145 1 30 . 1 1 5 5 VAL HG22 H 1 0.986 0.001 . 2 . . . . . . . . 4145 1 31 . 1 1 5 5 VAL HG23 H 1 0.986 0.001 . 2 . . . . . . . . 4145 1 32 . 1 1 5 5 VAL N N 15 119.35 0.000 . 1 . . . . . . . . 4145 1 33 . 1 1 6 6 VAL H H 1 9.309 0.004 . 1 . . . . . . . . 4145 1 34 . 1 1 6 6 VAL HA H 1 5.270 0.001 . 1 . . . . . . . . 4145 1 35 . 1 1 6 6 VAL HB H 1 1.893 0.008 . 1 . . . . . . . . 4145 1 36 . 1 1 6 6 VAL HG11 H 1 0.979 0.009 . 2 . . . . . . . . 4145 1 37 . 1 1 6 6 VAL HG12 H 1 0.979 0.009 . 2 . . . . . . . . 4145 1 38 . 1 1 6 6 VAL HG13 H 1 0.979 0.009 . 2 . . . . . . . . 4145 1 39 . 1 1 6 6 VAL HG21 H 1 0.935 0.008 . 2 . . . . . . . . 4145 1 40 . 1 1 6 6 VAL HG22 H 1 0.935 0.008 . 2 . . . . . . . . 4145 1 41 . 1 1 6 6 VAL HG23 H 1 0.935 0.008 . 2 . . . . . . . . 4145 1 42 . 1 1 6 6 VAL N N 15 118.98 0.000 . 1 . . . . . . . . 4145 1 43 . 1 1 7 7 ALA H H 1 8.687 0.002 . 1 . . . . . . . . 4145 1 44 . 1 1 7 7 ALA HA H 1 4.859 0.006 . 1 . . . . . . . . 4145 1 45 . 1 1 7 7 ALA HB1 H 1 1.840 0.008 . 1 . . . . . . . . 4145 1 46 . 1 1 7 7 ALA HB2 H 1 1.840 0.008 . 1 . . . . . . . . 4145 1 47 . 1 1 7 7 ALA HB3 H 1 1.840 0.008 . 1 . . . . . . . . 4145 1 48 . 1 1 7 7 ALA N N 15 126.03 0.000 . 1 . . . . . . . . 4145 1 49 . 1 1 8 8 MET H H 1 9.534 0.017 . 1 . . . . . . . . 4145 1 50 . 1 1 8 8 MET HA H 1 4.262 0.001 . 1 . . . . . . . . 4145 1 51 . 1 1 8 8 MET HB2 H 1 1.403 0.001 . 1 . . . . . . . . 4145 1 52 . 1 1 8 8 MET HB3 H 1 1.403 0.001 . 1 . . . . . . . . 4145 1 53 . 1 1 8 8 MET HG2 H 1 2.274 0.004 . 1 . . . . . . . . 4145 1 54 . 1 1 8 8 MET HG3 H 1 2.274 0.004 . 1 . . . . . . . . 4145 1 55 . 1 1 8 8 MET HE1 H 1 1.842 0.000 . 1 . . . . . . . . 4145 1 56 . 1 1 8 8 MET HE2 H 1 1.842 0.000 . 1 . . . . . . . . 4145 1 57 . 1 1 8 8 MET HE3 H 1 1.842 0.000 . 1 . . . . . . . . 4145 1 58 . 1 1 8 8 MET N N 15 124.63 0.000 . 1 . . . . . . . . 4145 1 59 . 1 1 9 9 TYR H H 1 7.205 0.002 . 1 . . . . . . . . 4145 1 60 . 1 1 9 9 TYR HA H 1 4.851 0.001 . 1 . . . . . . . . 4145 1 61 . 1 1 9 9 TYR HB2 H 1 3.241 0.001 . 2 . . . . . . . . 4145 1 62 . 1 1 9 9 TYR HB3 H 1 2.333 0.002 . 2 . . . . . . . . 4145 1 63 . 1 1 9 9 TYR HD1 H 1 6.770 0.002 . 1 . . . . . . . . 4145 1 64 . 1 1 9 9 TYR HD2 H 1 6.770 0.002 . 1 . . . . . . . . 4145 1 65 . 1 1 9 9 TYR HE1 H 1 6.748 0.002 . 1 . . . . . . . . 4145 1 66 . 1 1 9 9 TYR HE2 H 1 6.748 0.002 . 1 . . . . . . . . 4145 1 67 . 1 1 9 9 TYR N N 15 113.06 0.000 . 1 . . . . . . . . 4145 1 68 . 1 1 10 10 ASP H H 1 8.390 0.000 . 1 . . . . . . . . 4145 1 69 . 1 1 10 10 ASP HA H 1 4.813 0.006 . 1 . . . . . . . . 4145 1 70 . 1 1 10 10 ASP HB2 H 1 2.671 0.006 . 2 . . . . . . . . 4145 1 71 . 1 1 10 10 ASP N N 15 117.69 0.000 . 1 . . . . . . . . 4145 1 72 . 1 1 11 11 PHE H H 1 8.911 0.000 . 1 . . . . . . . . 4145 1 73 . 1 1 11 11 PHE HA H 1 5.140 0.002 . 1 . . . . . . . . 4145 1 74 . 1 1 11 11 PHE HB2 H 1 2.892 0.002 . 2 . . . . . . . . 4145 1 75 . 1 1 11 11 PHE HD1 H 1 7.496 0.005 . 1 . . . . . . . . 4145 1 76 . 1 1 11 11 PHE HD2 H 1 7.496 0.005 . 1 . . . . . . . . 4145 1 77 . 1 1 11 11 PHE HE1 H 1 7.558 0.004 . 1 . . . . . . . . 4145 1 78 . 1 1 11 11 PHE HE2 H 1 7.558 0.004 . 1 . . . . . . . . 4145 1 79 . 1 1 11 11 PHE HZ H 1 7.614 0.003 . 1 . . . . . . . . 4145 1 80 . 1 1 11 11 PHE N N 15 121.36 0.000 . 1 . . . . . . . . 4145 1 81 . 1 1 12 12 GLN H H 1 8.340 0.000 . 1 . . . . . . . . 4145 1 82 . 1 1 12 12 GLN HA H 1 4.298 0.003 . 1 . . . . . . . . 4145 1 83 . 1 1 12 12 GLN HB2 H 1 1.941 0.000 . 2 . . . . . . . . 4145 1 84 . 1 1 12 12 GLN HB3 H 1 1.887 0.000 . 2 . . . . . . . . 4145 1 85 . 1 1 12 12 GLN HG2 H 1 2.334 0.006 . 1 . . . . . . . . 4145 1 86 . 1 1 12 12 GLN HG3 H 1 2.334 0.006 . 1 . . . . . . . . 4145 1 87 . 1 1 12 12 GLN HE21 H 1 7.623 0.000 . 2 . . . . . . . . 4145 1 88 . 1 1 12 12 GLN HE22 H 1 6.884 0.000 . 2 . . . . . . . . 4145 1 89 . 1 1 12 12 GLN N N 15 127.22 0.000 . 1 . . . . . . . . 4145 1 90 . 1 1 12 12 GLN NE2 N 15 112.40 0.000 . 1 . . . . . . . . 4145 1 91 . 1 1 13 13 ALA H H 1 7.516 0.000 . 1 . . . . . . . . 4145 1 92 . 1 1 13 13 ALA HA H 1 4.016 0.002 . 1 . . . . . . . . 4145 1 93 . 1 1 13 13 ALA HB1 H 1 1.293 0.002 . 1 . . . . . . . . 4145 1 94 . 1 1 13 13 ALA HB2 H 1 1.293 0.002 . 1 . . . . . . . . 4145 1 95 . 1 1 13 13 ALA HB3 H 1 1.293 0.002 . 1 . . . . . . . . 4145 1 96 . 1 1 13 13 ALA N N 15 125.97 0.000 . 1 . . . . . . . . 4145 1 97 . 1 1 14 14 THR H H 1 9.087 0.001 . 1 . . . . . . . . 4145 1 98 . 1 1 14 14 THR HA H 1 4.377 0.002 . 1 . . . . . . . . 4145 1 99 . 1 1 14 14 THR HB H 1 4.242 0.003 . 1 . . . . . . . . 4145 1 100 . 1 1 14 14 THR HG21 H 1 1.224 0.006 . 1 . . . . . . . . 4145 1 101 . 1 1 14 14 THR HG22 H 1 1.224 0.006 . 1 . . . . . . . . 4145 1 102 . 1 1 14 14 THR HG23 H 1 1.224 0.006 . 1 . . . . . . . . 4145 1 103 . 1 1 14 14 THR N N 15 116.10 0.000 . 1 . . . . . . . . 4145 1 104 . 1 1 15 15 GLU H H 1 8.312 0.015 . 1 . . . . . . . . 4145 1 105 . 1 1 15 15 GLU HA H 1 4.507 0.005 . 1 . . . . . . . . 4145 1 106 . 1 1 15 15 GLU HB2 H 1 1.776 0.000 . 2 . . . . . . . . 4145 1 107 . 1 1 15 15 GLU HB3 H 1 1.695 0.000 . 2 . . . . . . . . 4145 1 108 . 1 1 15 15 GLU HG2 H 1 1.930 0.000 . 2 . . . . . . . . 4145 1 109 . 1 1 15 15 GLU HG3 H 1 1.870 0.000 . 2 . . . . . . . . 4145 1 110 . 1 1 15 15 GLU N N 15 122.63 0.000 . 1 . . . . . . . . 4145 1 111 . 1 1 16 16 ALA H H 1 8.771 0.001 . 1 . . . . . . . . 4145 1 112 . 1 1 16 16 ALA HA H 1 4.141 0.003 . 1 . . . . . . . . 4145 1 113 . 1 1 16 16 ALA HB1 H 1 1.431 0.002 . 1 . . . . . . . . 4145 1 114 . 1 1 16 16 ALA HB2 H 1 1.431 0.002 . 1 . . . . . . . . 4145 1 115 . 1 1 16 16 ALA HB3 H 1 1.431 0.002 . 1 . . . . . . . . 4145 1 116 . 1 1 16 16 ALA N N 15 123.85 0.000 . 1 . . . . . . . . 4145 1 117 . 1 1 17 17 HIS H H 1 8.100 0.002 . 1 . . . . . . . . 4145 1 118 . 1 1 17 17 HIS HA H 1 5.001 0.002 . 1 . . . . . . . . 4145 1 119 . 1 1 17 17 HIS HB2 H 1 3.619 0.001 . 2 . . . . . . . . 4145 1 120 . 1 1 17 17 HIS HB3 H 1 3.401 0.004 . 2 . . . . . . . . 4145 1 121 . 1 1 17 17 HIS HD2 H 1 7.124 0.000 . 2 . . . . . . . . 4145 1 122 . 1 1 17 17 HIS N N 15 110.87 0.000 . 1 . . . . . . . . 4145 1 123 . 1 1 18 18 ASP H H 1 7.808 0.000 . 1 . . . . . . . . 4145 1 124 . 1 1 18 18 ASP HA H 1 5.460 0.009 . 1 . . . . . . . . 4145 1 125 . 1 1 18 18 ASP HB2 H 1 2.947 0.000 . 2 . . . . . . . . 4145 1 126 . 1 1 18 18 ASP HB3 H 1 2.901 0.000 . 2 . . . . . . . . 4145 1 127 . 1 1 18 18 ASP N N 15 122.46 0.000 . 1 . . . . . . . . 4145 1 128 . 1 1 19 19 LEU H H 1 8.910 0.007 . 1 . . . . . . . . 4145 1 129 . 1 1 19 19 LEU HA H 1 4.661 0.002 . 1 . . . . . . . . 4145 1 130 . 1 1 19 19 LEU HB2 H 1 1.856 0.000 . 2 . . . . . . . . 4145 1 131 . 1 1 19 19 LEU HB3 H 1 1.716 0.000 . 2 . . . . . . . . 4145 1 132 . 1 1 19 19 LEU HG H 1 1.707 0.001 . 1 . . . . . . . . 4145 1 133 . 1 1 19 19 LEU N N 15 124.97 0.000 . 1 . . . . . . . . 4145 1 134 . 1 1 20 20 ARG H H 1 8.036 0.002 . 1 . . . . . . . . 4145 1 135 . 1 1 20 20 ARG HA H 1 4.448 0.002 . 1 . . . . . . . . 4145 1 136 . 1 1 20 20 ARG HB2 H 1 2.082 0.004 . 2 . . . . . . . . 4145 1 137 . 1 1 20 20 ARG HB3 H 1 1.942 0.004 . 2 . . . . . . . . 4145 1 138 . 1 1 20 20 ARG HG2 H 1 2.036 0.000 . 2 . . . . . . . . 4145 1 139 . 1 1 20 20 ARG HG3 H 1 1.585 0.000 . 2 . . . . . . . . 4145 1 140 . 1 1 20 20 ARG HD2 H 1 3.358 0.001 . 1 . . . . . . . . 4145 1 141 . 1 1 20 20 ARG HD3 H 1 3.358 0.001 . 1 . . . . . . . . 4145 1 142 . 1 1 20 20 ARG HE H 1 7.506 0.002 . 1 . . . . . . . . 4145 1 143 . 1 1 20 20 ARG N N 15 123.05 0.000 . 1 . . . . . . . . 4145 1 144 . 1 1 20 20 ARG NE N 15 115.13 0.000 . 1 . . . . . . . . 4145 1 145 . 1 1 21 21 LEU H H 1 8.893 0.017 . 1 . . . . . . . . 4145 1 146 . 1 1 21 21 LEU HA H 1 5.206 0.005 . 1 . . . . . . . . 4145 1 147 . 1 1 21 21 LEU HB2 H 1 2.273 0.006 . 2 . . . . . . . . 4145 1 148 . 1 1 21 21 LEU HB3 H 1 1.289 0.007 . 2 . . . . . . . . 4145 1 149 . 1 1 21 21 LEU HG H 1 1.842 0.000 . 1 . . . . . . . . 4145 1 150 . 1 1 21 21 LEU HD11 H 1 0.778 0.002 . 2 . . . . . . . . 4145 1 151 . 1 1 21 21 LEU HD12 H 1 0.778 0.002 . 2 . . . . . . . . 4145 1 152 . 1 1 21 21 LEU HD13 H 1 0.778 0.002 . 2 . . . . . . . . 4145 1 153 . 1 1 21 21 LEU HD21 H 1 0.056 0.004 . 2 . . . . . . . . 4145 1 154 . 1 1 21 21 LEU HD22 H 1 0.056 0.004 . 2 . . . . . . . . 4145 1 155 . 1 1 21 21 LEU HD23 H 1 0.056 0.004 . 2 . . . . . . . . 4145 1 156 . 1 1 21 21 LEU N N 15 119.61 0.000 . 1 . . . . . . . . 4145 1 157 . 1 1 22 22 GLU H H 1 8.953 0.002 . 1 . . . . . . . . 4145 1 158 . 1 1 22 22 GLU HA H 1 4.997 0.004 . 1 . . . . . . . . 4145 1 159 . 1 1 22 22 GLU HB2 H 1 2.144 0.000 . 2 . . . . . . . . 4145 1 160 . 1 1 22 22 GLU HB3 H 1 2.011 0.008 . 2 . . . . . . . . 4145 1 161 . 1 1 22 22 GLU HG2 H 1 2.330 0.009 . 1 . . . . . . . . 4145 1 162 . 1 1 22 22 GLU HG3 H 1 2.330 0.009 . 1 . . . . . . . . 4145 1 163 . 1 1 22 22 GLU N N 15 124.13 0.000 . 1 . . . . . . . . 4145 1 164 . 1 1 23 23 ARG H H 1 9.108 0.003 . 1 . . . . . . . . 4145 1 165 . 1 1 23 23 ARG HA H 1 3.549 0.002 . 1 . . . . . . . . 4145 1 166 . 1 1 23 23 ARG HB2 H 1 1.819 0.001 . 2 . . . . . . . . 4145 1 167 . 1 1 23 23 ARG HB3 H 1 1.619 0.005 . 2 . . . . . . . . 4145 1 168 . 1 1 23 23 ARG HG2 H 1 1.538 0.000 . 2 . . . . . . . . 4145 1 169 . 1 1 23 23 ARG HG3 H 1 1.477 0.003 . 2 . . . . . . . . 4145 1 170 . 1 1 23 23 ARG HD2 H 1 3.319 0.007 . 2 . . . . . . . . 4145 1 171 . 1 1 23 23 ARG HD3 H 1 3.272 0.004 . 2 . . . . . . . . 4145 1 172 . 1 1 23 23 ARG HE H 1 7.236 0.001 . 1 . . . . . . . . 4145 1 173 . 1 1 23 23 ARG N N 15 124.66 0.000 . 1 . . . . . . . . 4145 1 174 . 1 1 24 24 GLY H H 1 9.300 0.005 . 1 . . . . . . . . 4145 1 175 . 1 1 24 24 GLY HA2 H 1 3.704 0.001 . 2 . . . . . . . . 4145 1 176 . 1 1 24 24 GLY HA3 H 1 4.474 0.001 . 2 . . . . . . . . 4145 1 177 . 1 1 24 24 GLY N N 15 113.93 0.000 . 1 . . . . . . . . 4145 1 178 . 1 1 25 25 GLN H H 1 8.378 0.007 . 1 . . . . . . . . 4145 1 179 . 1 1 25 25 GLN HA H 1 4.546 0.003 . 1 . . . . . . . . 4145 1 180 . 1 1 25 25 GLN HB2 H 1 2.864 0.002 . 2 . . . . . . . . 4145 1 181 . 1 1 25 25 GLN HB3 H 1 2.181 0.002 . 2 . . . . . . . . 4145 1 182 . 1 1 25 25 GLN HG2 H 1 2.527 0.002 . 2 . . . . . . . . 4145 1 183 . 1 1 25 25 GLN HG3 H 1 2.334 0.001 . 2 . . . . . . . . 4145 1 184 . 1 1 25 25 GLN HE21 H 1 7.123 0.000 . 2 . . . . . . . . 4145 1 185 . 1 1 25 25 GLN HE22 H 1 7.897 0.000 . 2 . . . . . . . . 4145 1 186 . 1 1 25 25 GLN N N 15 119.27 0.000 . 1 . . . . . . . . 4145 1 187 . 1 1 25 25 GLN NE2 N 15 116.99 0.000 . 1 . . . . . . . . 4145 1 188 . 1 1 26 26 GLU H H 1 8.257 0.001 . 1 . . . . . . . . 4145 1 189 . 1 1 26 26 GLU HA H 1 5.481 0.004 . 1 . . . . . . . . 4145 1 190 . 1 1 26 26 GLU HB2 H 1 1.871 0.002 . 1 . . . . . . . . 4145 1 191 . 1 1 26 26 GLU HB3 H 1 1.871 0.002 . 1 . . . . . . . . 4145 1 192 . 1 1 26 26 GLU HG2 H 1 2.125 0.004 . 2 . . . . . . . . 4145 1 193 . 1 1 26 26 GLU N N 15 117.70 0.000 . 1 . . . . . . . . 4145 1 194 . 1 1 27 27 TYR H H 1 9.198 0.004 . 1 . . . . . . . . 4145 1 195 . 1 1 27 27 TYR HA H 1 4.730 0.004 . 1 . . . . . . . . 4145 1 196 . 1 1 27 27 TYR HB2 H 1 2.814 0.003 . 2 . . . . . . . . 4145 1 197 . 1 1 27 27 TYR HB3 H 1 2.483 0.004 . 2 . . . . . . . . 4145 1 198 . 1 1 27 27 TYR HD1 H 1 6.914 0.002 . 1 . . . . . . . . 4145 1 199 . 1 1 27 27 TYR HD2 H 1 6.914 0.002 . 1 . . . . . . . . 4145 1 200 . 1 1 27 27 TYR HE1 H 1 7.120 0.007 . 1 . . . . . . . . 4145 1 201 . 1 1 27 27 TYR HE2 H 1 7.120 0.007 . 1 . . . . . . . . 4145 1 202 . 1 1 27 27 TYR N N 15 119.86 0.000 . 1 . . . . . . . . 4145 1 203 . 1 1 28 28 ILE H H 1 8.803 0.000 . 1 . . . . . . . . 4145 1 204 . 1 1 28 28 ILE HA H 1 4.803 0.001 . 1 . . . . . . . . 4145 1 205 . 1 1 28 28 ILE HB H 1 1.820 0.004 . 1 . . . . . . . . 4145 1 206 . 1 1 28 28 ILE HG12 H 1 1.634 0.000 . 2 . . . . . . . . 4145 1 207 . 1 1 28 28 ILE HG13 H 1 1.146 0.000 . 2 . . . . . . . . 4145 1 208 . 1 1 28 28 ILE HG21 H 1 0.913 0.002 . 1 . . . . . . . . 4145 1 209 . 1 1 28 28 ILE HG22 H 1 0.913 0.002 . 1 . . . . . . . . 4145 1 210 . 1 1 28 28 ILE HG23 H 1 0.913 0.002 . 1 . . . . . . . . 4145 1 211 . 1 1 28 28 ILE HD11 H 1 0.886 0.000 . 1 . . . . . . . . 4145 1 212 . 1 1 28 28 ILE HD12 H 1 0.886 0.000 . 1 . . . . . . . . 4145 1 213 . 1 1 28 28 ILE HD13 H 1 0.886 0.000 . 1 . . . . . . . . 4145 1 214 . 1 1 28 28 ILE N N 15 122.03 0.000 . 1 . . . . . . . . 4145 1 215 . 1 1 29 29 ILE H H 1 9.128 0.001 . 1 . . . . . . . . 4145 1 216 . 1 1 29 29 ILE HA H 1 4.390 0.002 . 1 . . . . . . . . 4145 1 217 . 1 1 29 29 ILE HB H 1 2.173 0.005 . 1 . . . . . . . . 4145 1 218 . 1 1 29 29 ILE HG12 H 1 1.847 0.000 . 2 . . . . . . . . 4145 1 219 . 1 1 29 29 ILE HG13 H 1 1.375 0.000 . 2 . . . . . . . . 4145 1 220 . 1 1 29 29 ILE HG21 H 1 0.655 0.000 . 1 . . . . . . . . 4145 1 221 . 1 1 29 29 ILE HG22 H 1 0.655 0.000 . 1 . . . . . . . . 4145 1 222 . 1 1 29 29 ILE HG23 H 1 0.655 0.000 . 1 . . . . . . . . 4145 1 223 . 1 1 29 29 ILE HD11 H 1 0.637 0.000 . 1 . . . . . . . . 4145 1 224 . 1 1 29 29 ILE HD12 H 1 0.637 0.000 . 1 . . . . . . . . 4145 1 225 . 1 1 29 29 ILE HD13 H 1 0.637 0.000 . 1 . . . . . . . . 4145 1 226 . 1 1 29 29 ILE N N 15 125.44 0.000 . 1 . . . . . . . . 4145 1 227 . 1 1 30 30 LEU H H 1 9.407 0.000 . 1 . . . . . . . . 4145 1 228 . 1 1 30 30 LEU HA H 1 4.504 0.004 . 1 . . . . . . . . 4145 1 229 . 1 1 30 30 LEU HB2 H 1 1.399 0.003 . 1 . . . . . . . . 4145 1 230 . 1 1 30 30 LEU HB3 H 1 1.399 0.003 . 1 . . . . . . . . 4145 1 231 . 1 1 30 30 LEU HG H 1 1.654 0.003 . 1 . . . . . . . . 4145 1 232 . 1 1 30 30 LEU HD11 H 1 0.870 0.000 . 2 . . . . . . . . 4145 1 233 . 1 1 30 30 LEU HD12 H 1 0.870 0.000 . 2 . . . . . . . . 4145 1 234 . 1 1 30 30 LEU HD13 H 1 0.870 0.000 . 2 . . . . . . . . 4145 1 235 . 1 1 30 30 LEU HD21 H 1 0.837 0.000 . 2 . . . . . . . . 4145 1 236 . 1 1 30 30 LEU HD22 H 1 0.837 0.000 . 2 . . . . . . . . 4145 1 237 . 1 1 30 30 LEU HD23 H 1 0.837 0.000 . 2 . . . . . . . . 4145 1 238 . 1 1 30 30 LEU N N 15 128.68 0.000 . 1 . . . . . . . . 4145 1 239 . 1 1 31 31 GLU H H 1 7.744 0.001 . 1 . . . . . . . . 4145 1 240 . 1 1 31 31 GLU HA H 1 4.456 0.006 . 1 . . . . . . . . 4145 1 241 . 1 1 31 31 GLU HB2 H 1 2.190 0.008 . 2 . . . . . . . . 4145 1 242 . 1 1 31 31 GLU HB3 H 1 2.085 0.002 . 2 . . . . . . . . 4145 1 243 . 1 1 31 31 GLU HG2 H 1 2.319 0.013 . 1 . . . . . . . . 4145 1 244 . 1 1 31 31 GLU HG3 H 1 2.319 0.013 . 1 . . . . . . . . 4145 1 245 . 1 1 31 31 GLU N N 15 116.70 0.000 . 1 . . . . . . . . 4145 1 246 . 1 1 32 32 LYS H H 1 8.674 0.000 . 1 . . . . . . . . 4145 1 247 . 1 1 32 32 LYS HA H 1 4.584 0.000 . 1 . . . . . . . . 4145 1 248 . 1 1 32 32 LYS HB2 H 1 1.125 0.000 . 2 . . . . . . . . 4145 1 249 . 1 1 32 32 LYS HB3 H 1 1.066 0.000 . 2 . . . . . . . . 4145 1 250 . 1 1 32 32 LYS HG2 H 1 0.561 0.000 . 2 . . . . . . . . 4145 1 251 . 1 1 32 32 LYS HG3 H 1 -0.264 0.000 . 2 . . . . . . . . 4145 1 252 . 1 1 32 32 LYS HD2 H 1 1.512 0.000 . 2 . . . . . . . . 4145 1 253 . 1 1 32 32 LYS HD3 H 1 0.882 0.000 . 2 . . . . . . . . 4145 1 254 . 1 1 32 32 LYS HE2 H 1 2.191 0.000 . 1 . . . . . . . . 4145 1 255 . 1 1 32 32 LYS HE3 H 1 2.191 0.000 . 1 . . . . . . . . 4145 1 256 . 1 1 32 32 LYS N N 15 124.17 0.000 . 1 . . . . . . . . 4145 1 257 . 1 1 33 33 ASN H H 1 8.739 0.000 . 1 . . . . . . . . 4145 1 258 . 1 1 33 33 ASN HA H 1 4.789 0.005 . 1 . . . . . . . . 4145 1 259 . 1 1 33 33 ASN HB2 H 1 3.071 0.002 . 2 . . . . . . . . 4145 1 260 . 1 1 33 33 ASN HB3 H 1 2.956 0.005 . 2 . . . . . . . . 4145 1 261 . 1 1 33 33 ASN HD21 H 1 7.805 0.000 . 2 . . . . . . . . 4145 1 262 . 1 1 33 33 ASN HD22 H 1 7.053 0.000 . 2 . . . . . . . . 4145 1 263 . 1 1 33 33 ASN N N 15 120.70 0.000 . 1 . . . . . . . . 4145 1 264 . 1 1 33 33 ASN ND2 N 15 113.44 0.000 . 1 . . . . . . . . 4145 1 265 . 1 1 34 34 ASP H H 1 8.330 0.000 . 1 . . . . . . . . 4145 1 266 . 1 1 34 34 ASP HA H 1 4.883 0.008 . 1 . . . . . . . . 4145 1 267 . 1 1 34 34 ASP HB2 H 1 3.554 0.001 . 2 . . . . . . . . 4145 1 268 . 1 1 34 34 ASP HB3 H 1 2.964 0.002 . 2 . . . . . . . . 4145 1 269 . 1 1 34 34 ASP N N 15 119.35 0.000 . 1 . . . . . . . . 4145 1 270 . 1 1 35 35 LEU H H 1 8.285 0.001 . 1 . . . . . . . . 4145 1 271 . 1 1 35 35 LEU HA H 1 4.347 0.003 . 1 . . . . . . . . 4145 1 272 . 1 1 35 35 LEU HB2 H 1 1.648 0.001 . 2 . . . . . . . . 4145 1 273 . 1 1 35 35 LEU HB3 H 1 1.429 0.004 . 2 . . . . . . . . 4145 1 274 . 1 1 35 35 LEU HG H 1 1.280 0.005 . 1 . . . . . . . . 4145 1 275 . 1 1 35 35 LEU HD11 H 1 0.994 0.002 . 2 . . . . . . . . 4145 1 276 . 1 1 35 35 LEU HD12 H 1 0.994 0.002 . 2 . . . . . . . . 4145 1 277 . 1 1 35 35 LEU HD13 H 1 0.994 0.002 . 2 . . . . . . . . 4145 1 278 . 1 1 35 35 LEU HD21 H 1 0.963 0.001 . 2 . . . . . . . . 4145 1 279 . 1 1 35 35 LEU HD22 H 1 0.963 0.001 . 2 . . . . . . . . 4145 1 280 . 1 1 35 35 LEU HD23 H 1 0.963 0.001 . 2 . . . . . . . . 4145 1 281 . 1 1 35 35 LEU N N 15 120.24 0.000 . 1 . . . . . . . . 4145 1 282 . 1 1 36 36 HIS H H 1 8.836 0.001 . 1 . . . . . . . . 4145 1 283 . 1 1 36 36 HIS HA H 1 4.421 0.003 . 1 . . . . . . . . 4145 1 284 . 1 1 36 36 HIS HB2 H 1 3.044 0.001 . 2 . . . . . . . . 4145 1 285 . 1 1 36 36 HIS HB3 H 1 2.824 0.001 . 2 . . . . . . . . 4145 1 286 . 1 1 36 36 HIS HD2 H 1 6.732 0.000 . 2 . . . . . . . . 4145 1 287 . 1 1 36 36 HIS N N 15 115.76 0.000 . 1 . . . . . . . . 4145 1 288 . 1 1 37 37 TRP H H 1 8.570 0.006 . 1 . . . . . . . . 4145 1 289 . 1 1 37 37 TRP HA H 1 5.341 0.005 . 1 . . . . . . . . 4145 1 290 . 1 1 37 37 TRP HB2 H 1 3.071 0.005 . 1 . . . . . . . . 4145 1 291 . 1 1 37 37 TRP HB3 H 1 3.071 0.005 . 1 . . . . . . . . 4145 1 292 . 1 1 37 37 TRP HD1 H 1 7.345 0.001 . 1 . . . . . . . . 4145 1 293 . 1 1 37 37 TRP HE1 H 1 10.082 0.017 . 1 . . . . . . . . 4145 1 294 . 1 1 37 37 TRP HE3 H 1 6.681 0.003 . 1 . . . . . . . . 4145 1 295 . 1 1 37 37 TRP HZ2 H 1 7.520 0.006 . 1 . . . . . . . . 4145 1 296 . 1 1 37 37 TRP HZ3 H 1 7.296 0.001 . 1 . . . . . . . . 4145 1 297 . 1 1 37 37 TRP HH2 H 1 7.261 0.005 . 1 . . . . . . . . 4145 1 298 . 1 1 37 37 TRP N N 15 121.99 0.000 . 1 . . . . . . . . 4145 1 299 . 1 1 37 37 TRP NE1 N 15 128.26 0.000 . 1 . . . . . . . . 4145 1 300 . 1 1 38 38 TRP H H 1 9.133 0.004 . 1 . . . . . . . . 4145 1 301 . 1 1 38 38 TRP HA H 1 5.760 0.001 . 1 . . . . . . . . 4145 1 302 . 1 1 38 38 TRP HB2 H 1 3.408 0.003 . 2 . . . . . . . . 4145 1 303 . 1 1 38 38 TRP HB3 H 1 3.017 0.009 . 2 . . . . . . . . 4145 1 304 . 1 1 38 38 TRP HD1 H 1 7.547 0.006 . 1 . . . . . . . . 4145 1 305 . 1 1 38 38 TRP HE1 H 1 9.748 0.000 . 1 . . . . . . . . 4145 1 306 . 1 1 38 38 TRP HE3 H 1 6.934 0.003 . 1 . . . . . . . . 4145 1 307 . 1 1 38 38 TRP HZ2 H 1 7.637 0.006 . 1 . . . . . . . . 4145 1 308 . 1 1 38 38 TRP HZ3 H 1 7.255 0.001 . 1 . . . . . . . . 4145 1 309 . 1 1 38 38 TRP HH2 H 1 7.288 0.002 . 1 . . . . . . . . 4145 1 310 . 1 1 38 38 TRP N N 15 125.59 0.000 . 1 . . . . . . . . 4145 1 311 . 1 1 38 38 TRP NE1 N 15 128.64 0.000 . 1 . . . . . . . . 4145 1 312 . 1 1 39 39 ARG H H 1 9.022 0.004 . 1 . . . . . . . . 4145 1 313 . 1 1 39 39 ARG HA H 1 4.687 0.004 . 1 . . . . . . . . 4145 1 314 . 1 1 39 39 ARG HB2 H 1 1.831 0.000 . 2 . . . . . . . . 4145 1 315 . 1 1 39 39 ARG HB3 H 1 1.593 0.003 . 2 . . . . . . . . 4145 1 316 . 1 1 39 39 ARG HG2 H 1 1.325 0.001 . 2 . . . . . . . . 4145 1 317 . 1 1 39 39 ARG HG3 H 1 0.942 0.005 . 2 . . . . . . . . 4145 1 318 . 1 1 39 39 ARG HD2 H 1 3.095 0.000 . 2 . . . . . . . . 4145 1 319 . 1 1 39 39 ARG HD3 H 1 3.005 0.001 . 2 . . . . . . . . 4145 1 320 . 1 1 39 39 ARG HE H 1 7.473 0.000 . 1 . . . . . . . . 4145 1 321 . 1 1 39 39 ARG N N 15 123.42 0.000 . 1 . . . . . . . . 4145 1 322 . 1 1 39 39 ARG NE N 15 112.79 0.000 . 1 . . . . . . . . 4145 1 323 . 1 1 40 40 ALA H H 1 9.548 0.000 . 1 . . . . . . . . 4145 1 324 . 1 1 40 40 ALA HA H 1 5.753 0.003 . 1 . . . . . . . . 4145 1 325 . 1 1 40 40 ALA HB1 H 1 1.434 0.008 . 1 . . . . . . . . 4145 1 326 . 1 1 40 40 ALA HB2 H 1 1.434 0.008 . 1 . . . . . . . . 4145 1 327 . 1 1 40 40 ALA HB3 H 1 1.434 0.008 . 1 . . . . . . . . 4145 1 328 . 1 1 40 40 ALA N N 15 130.96 0.000 . 1 . . . . . . . . 4145 1 329 . 1 1 41 41 ARG H H 1 9.134 0.018 . 1 . . . . . . . . 4145 1 330 . 1 1 41 41 ARG HA H 1 5.800 0.003 . 1 . . . . . . . . 4145 1 331 . 1 1 41 41 ARG HB2 H 1 2.311 0.005 . 2 . . . . . . . . 4145 1 332 . 1 1 41 41 ARG HB3 H 1 1.778 0.006 . 2 . . . . . . . . 4145 1 333 . 1 1 41 41 ARG HG2 H 1 1.873 0.002 . 2 . . . . . . . . 4145 1 334 . 1 1 41 41 ARG HG3 H 1 1.675 0.002 . 2 . . . . . . . . 4145 1 335 . 1 1 41 41 ARG HD2 H 1 3.412 0.005 . 2 . . . . . . . . 4145 1 336 . 1 1 41 41 ARG HD3 H 1 3.255 0.000 . 2 . . . . . . . . 4145 1 337 . 1 1 41 41 ARG HE H 1 7.624 0.000 . 1 . . . . . . . . 4145 1 338 . 1 1 41 41 ARG N N 15 118.67 0.000 . 1 . . . . . . . . 4145 1 339 . 1 1 41 41 ARG NE N 15 114.74 0.000 . 1 . . . . . . . . 4145 1 340 . 1 1 42 42 ASP H H 1 9.067 0.001 . 1 . . . . . . . . 4145 1 341 . 1 1 42 42 ASP HA H 1 5.103 0.002 . 1 . . . . . . . . 4145 1 342 . 1 1 42 42 ASP HB2 H 1 3.095 0.004 . 2 . . . . . . . . 4145 1 343 . 1 1 42 42 ASP N N 15 125.82 0.000 . 1 . . . . . . . . 4145 1 344 . 1 1 43 43 LYS H H 1 9.013 0.016 . 1 . . . . . . . . 4145 1 345 . 1 1 43 43 LYS HA H 1 4.139 0.004 . 1 . . . . . . . . 4145 1 346 . 1 1 43 43 LYS HB2 H 1 1.794 0.004 . 2 . . . . . . . . 4145 1 347 . 1 1 43 43 LYS HB3 H 1 1.686 0.001 . 2 . . . . . . . . 4145 1 348 . 1 1 43 43 LYS HG2 H 1 0.946 0.005 . 2 . . . . . . . . 4145 1 349 . 1 1 43 43 LYS HG3 H 1 0.168 0.005 . 2 . . . . . . . . 4145 1 350 . 1 1 43 43 LYS HD2 H 1 1.565 0.000 . 2 . . . . . . . . 4145 1 351 . 1 1 43 43 LYS HD3 H 1 1.504 0.000 . 2 . . . . . . . . 4145 1 352 . 1 1 43 43 LYS HE2 H 1 2.816 0.001 . 1 . . . . . . . . 4145 1 353 . 1 1 43 43 LYS HE3 H 1 2.816 0.001 . 1 . . . . . . . . 4145 1 354 . 1 1 43 43 LYS N N 15 117.16 0.000 . 1 . . . . . . . . 4145 1 355 . 1 1 44 44 TYR H H 1 8.136 0.009 . 1 . . . . . . . . 4145 1 356 . 1 1 44 44 TYR HA H 1 4.713 0.006 . 1 . . . . . . . . 4145 1 357 . 1 1 44 44 TYR HB2 H 1 3.486 0.007 . 2 . . . . . . . . 4145 1 358 . 1 1 44 44 TYR HB3 H 1 3.251 0.009 . 2 . . . . . . . . 4145 1 359 . 1 1 44 44 TYR HD1 H 1 6.972 0.003 . 1 . . . . . . . . 4145 1 360 . 1 1 44 44 TYR HD2 H 1 6.972 0.003 . 1 . . . . . . . . 4145 1 361 . 1 1 44 44 TYR HE1 H 1 7.344 0.002 . 1 . . . . . . . . 4145 1 362 . 1 1 44 44 TYR HE2 H 1 7.344 0.002 . 1 . . . . . . . . 4145 1 363 . 1 1 44 44 TYR N N 15 120.97 0.000 . 1 . . . . . . . . 4145 1 364 . 1 1 45 45 GLY H H 1 8.276 0.001 . 1 . . . . . . . . 4145 1 365 . 1 1 45 45 GLY HA2 H 1 3.617 0.002 . 2 . . . . . . . . 4145 1 366 . 1 1 45 45 GLY HA3 H 1 4.555 0.002 . 2 . . . . . . . . 4145 1 367 . 1 1 45 45 GLY N N 15 108.18 0.000 . 1 . . . . . . . . 4145 1 368 . 1 1 46 46 SER H H 1 8.979 0.001 . 1 . . . . . . . . 4145 1 369 . 1 1 46 46 SER HA H 1 4.672 0.003 . 1 . . . . . . . . 4145 1 370 . 1 1 46 46 SER HB2 H 1 3.996 0.006 . 2 . . . . . . . . 4145 1 371 . 1 1 46 46 SER N N 15 121.32 0.000 . 1 . . . . . . . . 4145 1 372 . 1 1 47 47 GLU H H 1 8.587 0.000 . 1 . . . . . . . . 4145 1 373 . 1 1 47 47 GLU HA H 1 5.993 0.003 . 1 . . . . . . . . 4145 1 374 . 1 1 47 47 GLU HB2 H 1 1.964 0.004 . 2 . . . . . . . . 4145 1 375 . 1 1 47 47 GLU HB3 H 1 1.929 0.002 . 2 . . . . . . . . 4145 1 376 . 1 1 47 47 GLU HG2 H 1 2.487 0.004 . 2 . . . . . . . . 4145 1 377 . 1 1 47 47 GLU HG3 H 1 2.186 0.001 . 2 . . . . . . . . 4145 1 378 . 1 1 47 47 GLU N N 15 119.90 0.000 . 1 . . . . . . . . 4145 1 379 . 1 1 48 48 GLY H H 1 8.717 0.002 . 1 . . . . . . . . 4145 1 380 . 1 1 48 48 GLY HA2 H 1 4.047 0.001 . 2 . . . . . . . . 4145 1 381 . 1 1 48 48 GLY HA3 H 1 4.139 0.001 . 2 . . . . . . . . 4145 1 382 . 1 1 48 48 GLY N N 15 107.62 0.000 . 1 . . . . . . . . 4145 1 383 . 1 1 49 49 TYR H H 1 9.315 0.010 . 1 . . . . . . . . 4145 1 384 . 1 1 49 49 TYR HA H 1 5.582 0.007 . 1 . . . . . . . . 4145 1 385 . 1 1 49 49 TYR HB2 H 1 3.140 0.000 . 2 . . . . . . . . 4145 1 386 . 1 1 49 49 TYR HB3 H 1 3.098 0.000 . 2 . . . . . . . . 4145 1 387 . 1 1 49 49 TYR HD1 H 1 6.921 0.002 . 1 . . . . . . . . 4145 1 388 . 1 1 49 49 TYR HD2 H 1 6.921 0.002 . 1 . . . . . . . . 4145 1 389 . 1 1 49 49 TYR HE1 H 1 7.122 0.005 . 1 . . . . . . . . 4145 1 390 . 1 1 49 49 TYR HE2 H 1 7.122 0.005 . 1 . . . . . . . . 4145 1 391 . 1 1 49 49 TYR N N 15 119.79 0.000 . 1 . . . . . . . . 4145 1 392 . 1 1 50 50 ILE H H 1 9.558 0.003 . 1 . . . . . . . . 4145 1 393 . 1 1 50 50 ILE HA H 1 5.067 0.000 . 1 . . . . . . . . 4145 1 394 . 1 1 50 50 ILE HB H 1 1.850 0.005 . 1 . . . . . . . . 4145 1 395 . 1 1 50 50 ILE HG12 H 1 1.531 0.003 . 2 . . . . . . . . 4145 1 396 . 1 1 50 50 ILE HG13 H 1 1.034 0.007 . 2 . . . . . . . . 4145 1 397 . 1 1 50 50 ILE HG21 H 1 1.467 0.001 . 1 . . . . . . . . 4145 1 398 . 1 1 50 50 ILE HG22 H 1 1.467 0.001 . 1 . . . . . . . . 4145 1 399 . 1 1 50 50 ILE HG23 H 1 1.467 0.001 . 1 . . . . . . . . 4145 1 400 . 1 1 50 50 ILE HD11 H 1 0.651 0.002 . 1 . . . . . . . . 4145 1 401 . 1 1 50 50 ILE HD12 H 1 0.651 0.002 . 1 . . . . . . . . 4145 1 402 . 1 1 50 50 ILE HD13 H 1 0.651 0.002 . 1 . . . . . . . . 4145 1 403 . 1 1 50 50 ILE N N 15 113.15 0.000 . 1 . . . . . . . . 4145 1 404 . 1 1 51 51 PRO HA H 1 3.759 0.004 . 1 . . . . . . . . 4145 1 405 . 1 1 51 51 PRO HB2 H 1 1.245 0.000 . 2 . . . . . . . . 4145 1 406 . 1 1 51 51 PRO HB3 H 1 0.887 0.000 . 2 . . . . . . . . 4145 1 407 . 1 1 51 51 PRO HG2 H 1 0.677 0.000 . 2 . . . . . . . . 4145 1 408 . 1 1 51 51 PRO HG3 H 1 0.307 0.000 . 2 . . . . . . . . 4145 1 409 . 1 1 51 51 PRO HD2 H 1 2.633 0.000 . 2 . . . . . . . . 4145 1 410 . 1 1 51 51 PRO HD3 H 1 2.529 0.000 . 2 . . . . . . . . 4145 1 411 . 1 1 52 52 SER H H 1 8.069 0.001 . 1 . . . . . . . . 4145 1 412 . 1 1 52 52 SER HA H 1 2.739 0.000 . 1 . . . . . . . . 4145 1 413 . 1 1 52 52 SER HB2 H 1 1.879 0.000 . 2 . . . . . . . . 4145 1 414 . 1 1 52 52 SER HB3 H 1 1.511 0.000 . 2 . . . . . . . . 4145 1 415 . 1 1 52 52 SER N N 15 122.27 0.000 . 1 . . . . . . . . 4145 1 416 . 1 1 53 53 ASN H H 1 8.261 0.002 . 1 . . . . . . . . 4145 1 417 . 1 1 53 53 ASN HA H 1 4.668 0.004 . 1 . . . . . . . . 4145 1 418 . 1 1 53 53 ASN HB2 H 1 3.007 0.006 . 2 . . . . . . . . 4145 1 419 . 1 1 53 53 ASN HB3 H 1 2.763 0.003 . 2 . . . . . . . . 4145 1 420 . 1 1 53 53 ASN HD21 H 1 6.813 0.007 . 2 . . . . . . . . 4145 1 421 . 1 1 53 53 ASN HD22 H 1 7.539 0.008 . 2 . . . . . . . . 4145 1 422 . 1 1 53 53 ASN N N 15 114.83 0.000 . 1 . . . . . . . . 4145 1 423 . 1 1 53 53 ASN ND2 N 15 112.20 0.000 . 1 . . . . . . . . 4145 1 424 . 1 1 54 54 TYR H H 1 7.839 0.020 . 1 . . . . . . . . 4145 1 425 . 1 1 54 54 TYR HA H 1 4.803 0.004 . 1 . . . . . . . . 4145 1 426 . 1 1 54 54 TYR HB2 H 1 3.346 0.006 . 2 . . . . . . . . 4145 1 427 . 1 1 54 54 TYR HB3 H 1 3.063 0.002 . 2 . . . . . . . . 4145 1 428 . 1 1 54 54 TYR HD1 H 1 7.015 0.001 . 1 . . . . . . . . 4145 1 429 . 1 1 54 54 TYR HD2 H 1 7.015 0.001 . 1 . . . . . . . . 4145 1 430 . 1 1 54 54 TYR HE1 H 1 6.993 0.004 . 1 . . . . . . . . 4145 1 431 . 1 1 54 54 TYR HE2 H 1 6.993 0.004 . 1 . . . . . . . . 4145 1 432 . 1 1 54 54 TYR N N 15 119.33 0.000 . 1 . . . . . . . . 4145 1 433 . 1 1 55 55 VAL H H 1 7.258 0.006 . 1 . . . . . . . . 4145 1 434 . 1 1 55 55 VAL HA H 1 5.522 0.002 . 1 . . . . . . . . 4145 1 435 . 1 1 55 55 VAL HB H 1 2.086 0.005 . 1 . . . . . . . . 4145 1 436 . 1 1 55 55 VAL HG11 H 1 0.929 0.005 . 2 . . . . . . . . 4145 1 437 . 1 1 55 55 VAL HG12 H 1 0.929 0.005 . 2 . . . . . . . . 4145 1 438 . 1 1 55 55 VAL HG13 H 1 0.929 0.005 . 2 . . . . . . . . 4145 1 439 . 1 1 55 55 VAL HG21 H 1 0.740 0.004 . 2 . . . . . . . . 4145 1 440 . 1 1 55 55 VAL HG22 H 1 0.740 0.004 . 2 . . . . . . . . 4145 1 441 . 1 1 55 55 VAL HG23 H 1 0.740 0.004 . 2 . . . . . . . . 4145 1 442 . 1 1 55 55 VAL N N 15 109.56 0.000 . 1 . . . . . . . . 4145 1 443 . 1 1 56 56 THR H H 1 8.713 0.003 . 1 . . . . . . . . 4145 1 444 . 1 1 56 56 THR HA H 1 4.896 0.008 . 1 . . . . . . . . 4145 1 445 . 1 1 56 56 THR HB H 1 4.232 0.005 . 1 . . . . . . . . 4145 1 446 . 1 1 56 56 THR HG21 H 1 1.256 0.004 . 1 . . . . . . . . 4145 1 447 . 1 1 56 56 THR HG22 H 1 1.256 0.004 . 1 . . . . . . . . 4145 1 448 . 1 1 56 56 THR HG23 H 1 1.256 0.004 . 1 . . . . . . . . 4145 1 449 . 1 1 56 56 THR N N 15 114.08 0.000 . 1 . . . . . . . . 4145 1 450 . 1 1 57 57 GLY H H 1 8.674 0.004 . 1 . . . . . . . . 4145 1 451 . 1 1 57 57 GLY HA2 H 1 3.994 0.000 . 2 . . . . . . . . 4145 1 452 . 1 1 57 57 GLY HA3 H 1 4.387 0.002 . 2 . . . . . . . . 4145 1 453 . 1 1 57 57 GLY N N 15 112.27 0.000 . 1 . . . . . . . . 4145 1 454 . 1 1 58 58 LYS H H 1 8.395 0.000 . 1 . . . . . . . . 4145 1 455 . 1 1 58 58 LYS HA H 1 4.349 0.003 . 1 . . . . . . . . 4145 1 456 . 1 1 58 58 LYS HB2 H 1 1.857 0.007 . 1 . . . . . . . . 4145 1 457 . 1 1 58 58 LYS HB3 H 1 1.857 0.007 . 1 . . . . . . . . 4145 1 458 . 1 1 58 58 LYS HG2 H 1 1.449 0.001 . 1 . . . . . . . . 4145 1 459 . 1 1 58 58 LYS HG3 H 1 1.449 0.001 . 1 . . . . . . . . 4145 1 460 . 1 1 58 58 LYS HD2 H 1 1.607 0.006 . 1 . . . . . . . . 4145 1 461 . 1 1 58 58 LYS HD3 H 1 1.607 0.006 . 1 . . . . . . . . 4145 1 462 . 1 1 58 58 LYS HE2 H 1 2.980 0.008 . 1 . . . . . . . . 4145 1 463 . 1 1 58 58 LYS HE3 H 1 2.980 0.008 . 1 . . . . . . . . 4145 1 464 . 1 1 58 58 LYS N N 15 123.83 0.000 . 1 . . . . . . . . 4145 1 465 . 1 1 59 59 LYS H H 1 8.735 0.006 . 1 . . . . . . . . 4145 1 466 . 1 1 59 59 LYS HA H 1 4.510 0.006 . 1 . . . . . . . . 4145 1 467 . 1 1 59 59 LYS HB2 H 1 1.937 0.000 . 2 . . . . . . . . 4145 1 468 . 1 1 59 59 LYS HB3 H 1 1.835 0.000 . 2 . . . . . . . . 4145 1 469 . 1 1 59 59 LYS HG2 H 1 1.543 0.001 . 2 . . . . . . . . 4145 1 470 . 1 1 59 59 LYS HG3 H 1 1.500 0.002 . 2 . . . . . . . . 4145 1 471 . 1 1 59 59 LYS HD2 H 1 1.775 0.002 . 1 . . . . . . . . 4145 1 472 . 1 1 59 59 LYS HD3 H 1 1.775 0.002 . 1 . . . . . . . . 4145 1 473 . 1 1 59 59 LYS HE2 H 1 3.088 0.000 . 1 . . . . . . . . 4145 1 474 . 1 1 59 59 LYS HE3 H 1 3.088 0.000 . 1 . . . . . . . . 4145 1 475 . 1 1 59 59 LYS N N 15 126.02 0.000 . 1 . . . . . . . . 4145 1 476 . 1 1 60 60 SER H H 1 8.525 0.002 . 1 . . . . . . . . 4145 1 477 . 1 1 60 60 SER HA H 1 4.546 0.001 . 1 . . . . . . . . 4145 1 478 . 1 1 60 60 SER HB2 H 1 3.982 0.002 . 2 . . . . . . . . 4145 1 479 . 1 1 60 60 SER HB3 H 1 3.930 0.001 . 2 . . . . . . . . 4145 1 480 . 1 1 60 60 SER N N 15 117.47 0.000 . 1 . . . . . . . . 4145 1 481 . 1 1 61 61 ASN H H 1 8.222 0.002 . 1 . . . . . . . . 4145 1 482 . 1 1 61 61 ASN HA H 1 4.592 0.011 . 1 . . . . . . . . 4145 1 483 . 1 1 61 61 ASN HB2 H 1 2.919 0.000 . 2 . . . . . . . . 4145 1 484 . 1 1 61 61 ASN HB3 H 1 2.799 0.000 . 2 . . . . . . . . 4145 1 485 . 1 1 61 61 ASN HD21 H 1 7.680 0.000 . 2 . . . . . . . . 4145 1 486 . 1 1 61 61 ASN HD22 H 1 6.988 0.000 . 2 . . . . . . . . 4145 1 487 . 1 1 61 61 ASN N N 15 125.91 0.000 . 1 . . . . . . . . 4145 1 488 . 1 1 61 61 ASN ND2 N 15 112.96 0.000 . 1 . . . . . . . . 4145 1 489 . 1 1 62 62 ASN H H 1 8.529 0.003 . 1 . . . . . . . . 4145 1 490 . 1 1 62 62 ASN HA H 1 4.765 0.012 . 1 . . . . . . . . 4145 1 491 . 1 1 62 62 ASN HB2 H 1 2.913 0.005 . 2 . . . . . . . . 4145 1 492 . 1 1 62 62 ASN HB3 H 1 2.814 0.001 . 2 . . . . . . . . 4145 1 493 . 1 1 62 62 ASN HD21 H 1 7.682 0.013 . 2 . . . . . . . . 4145 1 494 . 1 1 62 62 ASN HD22 H 1 6.989 0.011 . 2 . . . . . . . . 4145 1 495 . 1 1 62 62 ASN N N 15 118.88 0.000 . 1 . . . . . . . . 4145 1 496 . 1 1 62 62 ASN ND2 N 15 112.96 0.000 . 1 . . . . . . . . 4145 1 497 . 1 1 63 63 LEU H H 1 8.319 0.015 . 1 . . . . . . . . 4145 1 498 . 1 1 63 63 LEU HA H 1 4.422 0.004 . 1 . . . . . . . . 4145 1 499 . 1 1 63 63 LEU HB2 H 1 1.750 0.002 . 1 . . . . . . . . 4145 1 500 . 1 1 63 63 LEU HB3 H 1 1.750 0.002 . 1 . . . . . . . . 4145 1 501 . 1 1 63 63 LEU HG H 1 1.692 0.008 . 1 . . . . . . . . 4145 1 502 . 1 1 63 63 LEU HD11 H 1 1.025 0.000 . 2 . . . . . . . . 4145 1 503 . 1 1 63 63 LEU HD12 H 1 1.025 0.000 . 2 . . . . . . . . 4145 1 504 . 1 1 63 63 LEU HD13 H 1 1.025 0.000 . 2 . . . . . . . . 4145 1 505 . 1 1 63 63 LEU HD21 H 1 0.962 0.001 . 2 . . . . . . . . 4145 1 506 . 1 1 63 63 LEU HD22 H 1 0.962 0.001 . 2 . . . . . . . . 4145 1 507 . 1 1 63 63 LEU HD23 H 1 0.962 0.001 . 2 . . . . . . . . 4145 1 508 . 1 1 63 63 LEU N N 15 121.69 0.000 . 1 . . . . . . . . 4145 1 509 . 1 1 64 64 ASP H H 1 8.326 0.003 . 1 . . . . . . . . 4145 1 510 . 1 1 64 64 ASP HA H 1 4.609 0.004 . 1 . . . . . . . . 4145 1 511 . 1 1 64 64 ASP HB2 H 1 2.717 0.009 . 1 . . . . . . . . 4145 1 512 . 1 1 64 64 ASP HB3 H 1 2.717 0.009 . 1 . . . . . . . . 4145 1 513 . 1 1 64 64 ASP N N 15 120.40 0.000 . 1 . . . . . . . . 4145 1 514 . 1 1 65 65 GLN H H 1 8.022 0.001 . 1 . . . . . . . . 4145 1 515 . 1 1 65 65 GLN HA H 1 4.359 0.005 . 1 . . . . . . . . 4145 1 516 . 1 1 65 65 GLN HB2 H 1 2.065 0.006 . 2 . . . . . . . . 4145 1 517 . 1 1 65 65 GLN HB3 H 1 1.962 0.003 . 2 . . . . . . . . 4145 1 518 . 1 1 65 65 GLN HG2 H 1 2.264 0.004 . 1 . . . . . . . . 4145 1 519 . 1 1 65 65 GLN HG3 H 1 2.264 0.004 . 1 . . . . . . . . 4145 1 520 . 1 1 65 65 GLN N N 15 119.41 0.000 . 1 . . . . . . . . 4145 1 521 . 1 1 65 65 GLN NE2 N 15 112.80 0.000 . 1 . . . . . . . . 4145 1 522 . 1 1 66 66 TYR H H 1 8.305 0.001 . 1 . . . . . . . . 4145 1 523 . 1 1 66 66 TYR HA H 1 4.743 0.004 . 1 . . . . . . . . 4145 1 524 . 1 1 66 66 TYR HB2 H 1 3.277 0.002 . 2 . . . . . . . . 4145 1 525 . 1 1 66 66 TYR HB3 H 1 2.955 0.004 . 2 . . . . . . . . 4145 1 526 . 1 1 66 66 TYR HD1 H 1 7.226 0.000 . 1 . . . . . . . . 4145 1 527 . 1 1 66 66 TYR HD2 H 1 7.226 0.000 . 1 . . . . . . . . 4145 1 528 . 1 1 66 66 TYR HE1 H 1 6.908 0.000 . 1 . . . . . . . . 4145 1 529 . 1 1 66 66 TYR HE2 H 1 6.908 0.000 . 1 . . . . . . . . 4145 1 530 . 1 1 66 66 TYR N N 15 121.67 0.000 . 1 . . . . . . . . 4145 1 531 . 1 1 67 67 ASP H H 1 8.041 0.000 . 1 . . . . . . . . 4145 1 532 . 1 1 67 67 ASP HA H 1 4.485 0.002 . 1 . . . . . . . . 4145 1 533 . 1 1 67 67 ASP HB2 H 1 2.761 0.000 . 2 . . . . . . . . 4145 1 534 . 1 1 67 67 ASP HB3 H 1 2.670 0.000 . 2 . . . . . . . . 4145 1 535 . 1 1 67 67 ASP N N 15 126.80 0.000 . 1 . . . . . . . . 4145 1 stop_ save_