data_15733 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15733 _Entry.Title ; Solution structure of Lamin B Receptor Tudor domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-04-16 _Entry.Accession_date 2008-04-16 _Entry.Last_release_date 2012-07-19 _Entry.Original_release_date 2012-07-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.116 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 S. Liokatis S. . . 15733 2 C. Edlich C. . . 15733 3 SD. Georgatos S. . . 15733 4 M. Sattler M. . . 15733 5 AS. Politou A. . . 15733 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15733 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'beta barrel' . 15733 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15733 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 230 15733 '15N chemical shifts' 69 15733 '1H chemical shifts' 452 15733 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 . . 2012-07-19 2008-04-16 original author . 15733 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 15733 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22052904 _Citation.Full_citation . _Citation.Title 'Solution structure and molecular interactions of lamin B receptor Tudor domain' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 287 _Citation.Journal_issue 2 _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 1032 _Citation.Page_last 1042 _Citation.Year 2012 _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 Stamatis Liokatis S. . . 15733 1 2 Christian Edlich C. . . 15733 1 3 Katerina Soupsana K. . . 15733 1 4 Ioannis Giannios I. . . 15733 1 5 Parthena Panagiotidou P. . . 15733 1 6 Konstantinos Tripsianes K. . . 15733 1 7 Michael Sattler M. . . 15733 1 8 Spyros Georgatos S. D. . 15733 1 9 Anastasia Politou A. S. . 15733 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15733 _Assembly.ID 1 _Assembly.Name 'chicken Lamin B Receptor' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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_ _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 'chicken Lamin B Receptor' 1 $chicken_Lamin_B_Receptor A . yes native no no . . . 15733 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_chicken_Lamin_B_Receptor _Entity.Sf_category entity _Entity.Sf_framecode chicken_Lamin_B_Receptor _Entity.Entry_ID 15733 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name chicken_Lamin_B_Receptor _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GAMGMPNRKYADGEVVMGRW PGSVLYYEVQVTSYDDASHL YTVKYKDGTELALKESDIRL QSSFKQ ; _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 66 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Tudor domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7490.461 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 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 BMRB 17402 . LBR_Tudor_domain . . . . . 100.00 66 100.00 100.00 4.90e-40 . . . . 15733 1 2 no PDB 2L8D . "StructureFUNCTION OF THE LBR TUDOR DOMAIN" . . . . . 100.00 66 100.00 100.00 4.90e-40 . . . . 15733 1 3 no EMBL CAA68758 . "lamin B receptor [Gallus gallus]" . . . . . 93.94 637 100.00 100.00 1.81e-33 . . . . 15733 1 4 no EMBL CAG31779 . "hypothetical protein RCJMB04_11a8 [Gallus gallus]" . . . . . 93.94 160 100.00 100.00 1.39e-37 . . . . 15733 1 5 no REF NP_990673 . "lamin-B receptor [Gallus gallus]" . . . . . 93.94 637 100.00 100.00 1.81e-33 . . . . 15733 1 6 no REF XP_010704965 . "PREDICTED: LOW QUALITY PROTEIN: lamin-B receptor [Meleagris gallopavo]" . . . . . 93.94 609 98.39 98.39 2.11e-32 . . . . 15733 1 7 no SP P23913 . "RecName: Full=Lamin-B receptor" . . . . . 93.94 637 100.00 100.00 1.81e-33 . . . . 15733 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 . 15733 1 2 . ALA . 15733 1 3 . MET . 15733 1 4 . GLY . 15733 1 5 . MET . 15733 1 6 . PRO . 15733 1 7 . ASN . 15733 1 8 . ARG . 15733 1 9 . LYS . 15733 1 10 . TYR . 15733 1 11 . ALA . 15733 1 12 . ASP . 15733 1 13 . GLY . 15733 1 14 . GLU . 15733 1 15 . VAL . 15733 1 16 . VAL . 15733 1 17 . MET . 15733 1 18 . GLY . 15733 1 19 . ARG . 15733 1 20 . TRP . 15733 1 21 . PRO . 15733 1 22 . GLY . 15733 1 23 . SER . 15733 1 24 . VAL . 15733 1 25 . LEU . 15733 1 26 . TYR . 15733 1 27 . TYR . 15733 1 28 . GLU . 15733 1 29 . VAL . 15733 1 30 . GLN . 15733 1 31 . VAL . 15733 1 32 . THR . 15733 1 33 . SER . 15733 1 34 . TYR . 15733 1 35 . ASP . 15733 1 36 . ASP . 15733 1 37 . ALA . 15733 1 38 . SER . 15733 1 39 . HIS . 15733 1 40 . LEU . 15733 1 41 . TYR . 15733 1 42 . THR . 15733 1 43 . VAL . 15733 1 44 . LYS . 15733 1 45 . TYR . 15733 1 46 . LYS . 15733 1 47 . ASP . 15733 1 48 . GLY . 15733 1 49 . THR . 15733 1 50 . GLU . 15733 1 51 . LEU . 15733 1 52 . ALA . 15733 1 53 . LEU . 15733 1 54 . LYS . 15733 1 55 . GLU . 15733 1 56 . SER . 15733 1 57 . ASP . 15733 1 58 . ILE . 15733 1 59 . ARG . 15733 1 60 . LEU . 15733 1 61 . GLN . 15733 1 62 . SER . 15733 1 63 . SER . 15733 1 64 . PHE . 15733 1 65 . LYS . 15733 1 66 . GLN . 15733 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 15733 1 . ALA 2 2 15733 1 . MET 3 3 15733 1 . GLY 4 4 15733 1 . MET 5 5 15733 1 . PRO 6 6 15733 1 . ASN 7 7 15733 1 . ARG 8 8 15733 1 . LYS 9 9 15733 1 . TYR 10 10 15733 1 . ALA 11 11 15733 1 . ASP 12 12 15733 1 . GLY 13 13 15733 1 . GLU 14 14 15733 1 . VAL 15 15 15733 1 . VAL 16 16 15733 1 . MET 17 17 15733 1 . GLY 18 18 15733 1 . ARG 19 19 15733 1 . TRP 20 20 15733 1 . PRO 21 21 15733 1 . GLY 22 22 15733 1 . SER 23 23 15733 1 . VAL 24 24 15733 1 . LEU 25 25 15733 1 . TYR 26 26 15733 1 . TYR 27 27 15733 1 . GLU 28 28 15733 1 . VAL 29 29 15733 1 . GLN 30 30 15733 1 . VAL 31 31 15733 1 . THR 32 32 15733 1 . SER 33 33 15733 1 . TYR 34 34 15733 1 . ASP 35 35 15733 1 . ASP 36 36 15733 1 . ALA 37 37 15733 1 . SER 38 38 15733 1 . HIS 39 39 15733 1 . LEU 40 40 15733 1 . TYR 41 41 15733 1 . THR 42 42 15733 1 . VAL 43 43 15733 1 . LYS 44 44 15733 1 . TYR 45 45 15733 1 . LYS 46 46 15733 1 . ASP 47 47 15733 1 . GLY 48 48 15733 1 . THR 49 49 15733 1 . GLU 50 50 15733 1 . LEU 51 51 15733 1 . ALA 52 52 15733 1 . LEU 53 53 15733 1 . LYS 54 54 15733 1 . GLU 55 55 15733 1 . SER 56 56 15733 1 . ASP 57 57 15733 1 . ILE 58 58 15733 1 . ARG 59 59 15733 1 . LEU 60 60 15733 1 . GLN 61 61 15733 1 . SER 62 62 15733 1 . SER 63 63 15733 1 . PHE 64 64 15733 1 . LYS 65 65 15733 1 . GLN 66 66 15733 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 15733 _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 $chicken_Lamin_B_Receptor . 9031 organism . 'gallus gallus' Chicken . . Eukaryota Metazoa gallus gallus . . . . . . . . . . . . . . . . LBR . . . . 15733 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 15733 _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 $chicken_Lamin_B_Receptor . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pETM30 . . . . . . 15733 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15733 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM phosphate buffer NA pH6.9, 100mM NaCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _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 'LBR Tudor' '[U-13C; U-15N]' . . 1 $chicken_Lamin_B_Receptor . . 0.5-1 . . mM . . . . 15733 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15733 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15733 1 4 D2O . . . . . . . 10 . . % . . . . 15733 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15733 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 15733 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '20mM phosphate buffer NA pH6.9, 100mM NaCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% D2O' _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 'LBR Tudor' '[U-13C; U-15N]' . . 1 $chicken_Lamin_B_Receptor . . 0.5-1 . . mM . . . . 15733 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 15733 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 15733 2 4 D2O . . . . . . . 100 . . % . . . . 15733 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15733 _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 'ionic strength' 100 . mM 15733 1 pH 6.9 . pH 15733 1 pressure 1 . atm 15733 1 temperature 298 . K 15733 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 15733 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G??ntert P.' . . 15733 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 15733 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 15733 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15733 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_600 _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode 600 _NMR_spectrometer_list.Entry_ID 15733 _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 spectrometer_1 Bruker DRX . 500 . . . 15733 1 2 spectrometer_2 Bruker DRX . 600 . . . 15733 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 15733 _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 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 3 '3D_13C-separated_NOESY-aromatic region' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 4 2D-13C-HSQC no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 5 2D-15N-HSQC no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 6 HNCA no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 7 CBCANH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 8 CBCA-(CO)NH no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 9 HCCH-TOCSY no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 10 2D-CBHD no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 11 2D-CBHE no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15733 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15733 _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 0.00 . indirect 0.251449530 . . . . . . . . . 15733 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 15733 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 15733 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 15733 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 4 2D-13C-HSQC . . . 15733 1 5 2D-15N-HSQC . . . 15733 1 6 HNCA . . . 15733 1 7 CBCANH . . . 15733 1 8 CBCA-(CO)NH . . . 15733 1 9 HCCH-TOCSY . . . 15733 1 10 2D-CBHD . . . 15733 1 11 2D-CBHE . . . 15733 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.780 0.020 . 2 . . . . 1 GLY HA2 . 15733 1 2 . 1 1 1 1 GLY HA3 H 1 3.744 0.020 . 2 . . . . 1 GLY HA3 . 15733 1 3 . 1 1 1 1 GLY CA C 13 43.291 0.400 . 1 . . . . 1 GLY CA . 15733 1 4 . 1 1 2 2 ALA HA H 1 4.309 0.020 . 1 . . . . 2 ALA HA . 15733 1 5 . 1 1 2 2 ALA HB1 H 1 1.345 0.020 . 1 . . . . 2 ALA HB . 15733 1 6 . 1 1 2 2 ALA HB2 H 1 1.345 0.020 . 1 . . . . 2 ALA HB . 15733 1 7 . 1 1 2 2 ALA HB3 H 1 1.345 0.020 . 1 . . . . 2 ALA HB . 15733 1 8 . 1 1 2 2 ALA CA C 13 52.436 0.400 . 1 . . . . 2 ALA CA . 15733 1 9 . 1 1 2 2 ALA CB C 13 19.305 0.400 . 1 . . . . 2 ALA CB . 15733 1 10 . 1 1 3 3 MET H H 1 8.503 0.020 . 1 . . . . 3 MET H . 15733 1 11 . 1 1 3 3 MET HA H 1 4.408 0.020 . 1 . . . . 3 MET HA . 15733 1 12 . 1 1 3 3 MET HB2 H 1 2.064 0.020 . 2 . . . . 3 MET HB2 . 15733 1 13 . 1 1 3 3 MET HB3 H 1 1.984 0.020 . 2 . . . . 3 MET HB3 . 15733 1 14 . 1 1 3 3 MET HG2 H 1 2.505 0.020 . 2 . . . . 3 MET HG2 . 15733 1 15 . 1 1 3 3 MET HG3 H 1 2.576 0.020 . 2 . . . . 3 MET HG3 . 15733 1 16 . 1 1 3 3 MET CA C 13 55.530 0.400 . 1 . . . . 3 MET CA . 15733 1 17 . 1 1 3 3 MET CB C 13 32.627 0.400 . 1 . . . . 3 MET CB . 15733 1 18 . 1 1 3 3 MET CG C 13 32.016 0.400 . 1 . . . . 3 MET CG . 15733 1 19 . 1 1 3 3 MET N N 15 119.945 0.400 . 1 . . . . 3 MET N . 15733 1 20 . 1 1 4 4 GLY H H 1 8.410 0.020 . 1 . . . . 4 GLY H . 15733 1 21 . 1 1 4 4 GLY HA2 H 1 3.894 0.020 . 2 . . . . 4 GLY HA2 . 15733 1 22 . 1 1 4 4 GLY HA3 H 1 3.850 0.020 . 2 . . . . 4 GLY HA3 . 15733 1 23 . 1 1 4 4 GLY CA C 13 45.076 0.400 . 1 . . . . 4 GLY CA . 15733 1 24 . 1 1 4 4 GLY N N 15 110.237 0.400 . 1 . . . . 4 GLY N . 15733 1 25 . 1 1 5 5 MET H H 1 8.148 0.020 . 1 . . . . 5 MET H . 15733 1 26 . 1 1 5 5 MET HA H 1 4.760 0.020 . 1 . . . . 5 MET HA . 15733 1 27 . 1 1 5 5 MET HB2 H 1 2.030 0.020 . 2 . . . . 5 MET HB2 . 15733 1 28 . 1 1 5 5 MET HB3 H 1 1.914 0.020 . 2 . . . . 5 MET HB3 . 15733 1 29 . 1 1 5 5 MET HG2 H 1 2.482 0.020 . 2 . . . . 5 MET HG2 . 15733 1 30 . 1 1 5 5 MET HG3 H 1 2.607 0.020 . 2 . . . . 5 MET HG3 . 15733 1 31 . 1 1 5 5 MET CA C 13 53.156 0.400 . 1 . . . . 5 MET CA . 15733 1 32 . 1 1 5 5 MET CB C 13 32.418 0.400 . 1 . . . . 5 MET CB . 15733 1 33 . 1 1 5 5 MET CG C 13 32.060 0.400 . 1 . . . . 5 MET CG . 15733 1 34 . 1 1 5 5 MET N N 15 120.938 0.400 . 1 . . . . 5 MET N . 15733 1 35 . 1 1 6 6 PRO HA H 1 4.361 0.020 . 1 . . . . 6 PRO HA . 15733 1 36 . 1 1 6 6 PRO HB2 H 1 2.225 0.020 . 2 . . . . 6 PRO HB2 . 15733 1 37 . 1 1 6 6 PRO HB3 H 1 1.794 0.020 . 2 . . . . 6 PRO HB3 . 15733 1 38 . 1 1 6 6 PRO HD2 H 1 3.763 0.020 . 2 . . . . 6 PRO HD2 . 15733 1 39 . 1 1 6 6 PRO HD3 H 1 3.607 0.020 . 2 . . . . 6 PRO HD3 . 15733 1 40 . 1 1 6 6 PRO HG2 H 1 1.958 0.020 . 2 . . . . 6 PRO HG2 . 15733 1 41 . 1 1 6 6 PRO HG3 H 1 1.929 0.020 . 2 . . . . 6 PRO HG3 . 15733 1 42 . 1 1 6 6 PRO CA C 13 63.181 0.400 . 1 . . . . 6 PRO CA . 15733 1 43 . 1 1 6 6 PRO CB C 13 32.071 0.400 . 1 . . . . 6 PRO CB . 15733 1 44 . 1 1 6 6 PRO CD C 13 50.641 0.400 . 1 . . . . 6 PRO CD . 15733 1 45 . 1 1 6 6 PRO CG C 13 27.340 0.400 . 1 . . . . 6 PRO CG . 15733 1 46 . 1 1 7 7 ASN H H 1 8.487 0.020 . 1 . . . . 7 ASN H . 15733 1 47 . 1 1 7 7 ASN HA H 1 4.567 0.020 . 1 . . . . 7 ASN HA . 15733 1 48 . 1 1 7 7 ASN HB2 H 1 2.700 0.020 . 2 . . . . 7 ASN HB2 . 15733 1 49 . 1 1 7 7 ASN HB3 H 1 2.678 0.020 . 2 . . . . 7 ASN HB3 . 15733 1 50 . 1 1 7 7 ASN HD21 H 1 7.597 0.020 . 2 . . . . 7 ASN HD21 . 15733 1 51 . 1 1 7 7 ASN HD22 H 1 6.894 0.020 . 2 . . . . 7 ASN HD22 . 15733 1 52 . 1 1 7 7 ASN CA C 13 53.038 0.400 . 1 . . . . 7 ASN CA . 15733 1 53 . 1 1 7 7 ASN CB C 13 38.940 0.400 . 1 . . . . 7 ASN CB . 15733 1 54 . 1 1 7 7 ASN N N 15 119.040 0.400 . 1 . . . . 7 ASN N . 15733 1 55 . 1 1 7 7 ASN ND2 N 15 113.191 0.400 . 1 . . . . 7 ASN ND2 . 15733 1 56 . 1 1 8 8 ARG H H 1 7.893 0.020 . 1 . . . . 8 ARG H . 15733 1 57 . 1 1 8 8 ARG HA H 1 3.923 0.020 . 1 . . . . 8 ARG HA . 15733 1 58 . 1 1 8 8 ARG HB2 H 1 1.396 0.020 . 2 . . . . 8 ARG HB2 . 15733 1 59 . 1 1 8 8 ARG HB3 H 1 1.191 0.020 . 2 . . . . 8 ARG HB3 . 15733 1 60 . 1 1 8 8 ARG HD2 H 1 2.835 0.020 . 2 . . . . 8 ARG HD2 . 15733 1 61 . 1 1 8 8 ARG HD3 H 1 2.802 0.020 . 2 . . . . 8 ARG HD3 . 15733 1 62 . 1 1 8 8 ARG HE H 1 6.592 0.020 . 1 . . . . 8 ARG HE . 15733 1 63 . 1 1 8 8 ARG HG2 H 1 1.139 0.020 . 2 . . . . 8 ARG HG2 . 15733 1 64 . 1 1 8 8 ARG HG3 H 1 1.116 0.020 . 2 . . . . 8 ARG HG3 . 15733 1 65 . 1 1 8 8 ARG CA C 13 55.498 0.400 . 1 . . . . 8 ARG CA . 15733 1 66 . 1 1 8 8 ARG CB C 13 30.539 0.400 . 1 . . . . 8 ARG CB . 15733 1 67 . 1 1 8 8 ARG CD C 13 43.865 0.400 . 1 . . . . 8 ARG CD . 15733 1 68 . 1 1 8 8 ARG CG C 13 25.418 0.400 . 1 . . . . 8 ARG CG . 15733 1 69 . 1 1 8 8 ARG N N 15 119.580 0.400 . 1 . . . . 8 ARG N . 15733 1 70 . 1 1 8 8 ARG NE N 15 112.736 0.400 . 1 . . . . 8 ARG NE . 15733 1 71 . 1 1 9 9 LYS H H 1 7.828 0.020 . 1 . . . . 9 LYS H . 15733 1 72 . 1 1 9 9 LYS HA H 1 3.773 0.020 . 1 . . . . 9 LYS HA . 15733 1 73 . 1 1 9 9 LYS HB2 H 1 0.852 0.020 . 2 . . . . 9 LYS HB2 . 15733 1 74 . 1 1 9 9 LYS HB3 H 1 1.088 0.020 . 2 . . . . 9 LYS HB3 . 15733 1 75 . 1 1 9 9 LYS HD2 H 1 1.312 0.020 . 2 . . . . 9 LYS HD2 . 15733 1 76 . 1 1 9 9 LYS HD3 H 1 1.347 0.020 . 2 . . . . 9 LYS HD3 . 15733 1 77 . 1 1 9 9 LYS HE2 H 1 2.818 0.020 . 2 . . . . 9 LYS HE2 . 15733 1 78 . 1 1 9 9 LYS HE3 H 1 2.893 0.020 . 2 . . . . 9 LYS HE3 . 15733 1 79 . 1 1 9 9 LYS HG2 H 1 0.593 0.020 . 2 . . . . 9 LYS HG2 . 15733 1 80 . 1 1 9 9 LYS HG3 H 1 0.975 0.020 . 2 . . . . 9 LYS HG3 . 15733 1 81 . 1 1 9 9 LYS CA C 13 58.078 0.400 . 1 . . . . 9 LYS CA . 15733 1 82 . 1 1 9 9 LYS CB C 13 33.917 0.400 . 1 . . . . 9 LYS CB . 15733 1 83 . 1 1 9 9 LYS CD C 13 29.073 0.400 . 1 . . . . 9 LYS CD . 15733 1 84 . 1 1 9 9 LYS CE C 13 41.779 0.400 . 1 . . . . 9 LYS CE . 15733 1 85 . 1 1 9 9 LYS CG C 13 25.032 0.400 . 1 . . . . 9 LYS CG . 15733 1 86 . 1 1 9 9 LYS N N 15 123.186 0.400 . 1 . . . . 9 LYS N . 15733 1 87 . 1 1 10 10 TYR H H 1 7.094 0.020 . 1 . . . . 10 TYR H . 15733 1 88 . 1 1 10 10 TYR HA H 1 4.888 0.020 . 1 . . . . 10 TYR HA . 15733 1 89 . 1 1 10 10 TYR HB2 H 1 2.367 0.020 . 2 . . . . 10 TYR HB2 . 15733 1 90 . 1 1 10 10 TYR HB3 H 1 2.642 0.020 . 2 . . . . 10 TYR HB3 . 15733 1 91 . 1 1 10 10 TYR HD1 H 1 6.597 0.020 . 1 . . . . 10 TYR HD1 . 15733 1 92 . 1 1 10 10 TYR HD2 H 1 6.597 0.020 . 1 . . . . 10 TYR HD2 . 15733 1 93 . 1 1 10 10 TYR HE1 H 1 6.498 0.020 . 1 . . . . 10 TYR HE1 . 15733 1 94 . 1 1 10 10 TYR HE2 H 1 6.498 0.020 . 1 . . . . 10 TYR HE2 . 15733 1 95 . 1 1 10 10 TYR CA C 13 55.907 0.400 . 1 . . . . 10 TYR CA . 15733 1 96 . 1 1 10 10 TYR CB C 13 40.021 0.400 . 1 . . . . 10 TYR CB . 15733 1 97 . 1 1 10 10 TYR CD1 C 13 133.017 0.400 . 1 . . . . 10 TYR CD1 . 15733 1 98 . 1 1 10 10 TYR CD2 C 13 133.017 0.400 . 1 . . . . 10 TYR CD2 . 15733 1 99 . 1 1 10 10 TYR CE1 C 13 118.127 0.400 . 1 . . . . 10 TYR CE1 . 15733 1 100 . 1 1 10 10 TYR CE2 C 13 118.127 0.400 . 1 . . . . 10 TYR CE2 . 15733 1 101 . 1 1 10 10 TYR N N 15 115.178 0.400 . 1 . . . . 10 TYR N . 15733 1 102 . 1 1 11 11 ALA H H 1 9.369 0.020 . 1 . . . . 11 ALA H . 15733 1 103 . 1 1 11 11 ALA HA H 1 4.217 0.020 . 1 . . . . 11 ALA HA . 15733 1 104 . 1 1 11 11 ALA HB1 H 1 1.383 0.020 . 1 . . . . 11 ALA HB . 15733 1 105 . 1 1 11 11 ALA HB2 H 1 1.383 0.020 . 1 . . . . 11 ALA HB . 15733 1 106 . 1 1 11 11 ALA HB3 H 1 1.383 0.020 . 1 . . . . 11 ALA HB . 15733 1 107 . 1 1 11 11 ALA CA C 13 51.315 0.400 . 1 . . . . 11 ALA CA . 15733 1 108 . 1 1 11 11 ALA CB C 13 20.650 0.400 . 1 . . . . 11 ALA CB . 15733 1 109 . 1 1 11 11 ALA N N 15 129.390 0.400 . 1 . . . . 11 ALA N . 15733 1 110 . 1 1 12 12 ASP H H 1 8.497 0.020 . 1 . . . . 12 ASP H . 15733 1 111 . 1 1 12 12 ASP HA H 1 4.004 0.020 . 1 . . . . 12 ASP HA . 15733 1 112 . 1 1 12 12 ASP HB2 H 1 2.529 0.020 . 2 . . . . 12 ASP HB2 . 15733 1 113 . 1 1 12 12 ASP HB3 H 1 2.495 0.020 . 2 . . . . 12 ASP HB3 . 15733 1 114 . 1 1 12 12 ASP CA C 13 56.225 0.400 . 1 . . . . 12 ASP CA . 15733 1 115 . 1 1 12 12 ASP CB C 13 39.143 0.400 . 1 . . . . 12 ASP CB . 15733 1 116 . 1 1 12 12 ASP N N 15 120.801 0.400 . 1 . . . . 12 ASP N . 15733 1 117 . 1 1 13 13 GLY H H 1 9.156 0.020 . 1 . . . . 13 GLY H . 15733 1 118 . 1 1 13 13 GLY HA2 H 1 4.309 0.020 . 2 . . . . 13 GLY HA2 . 15733 1 119 . 1 1 13 13 GLY HA3 H 1 3.613 0.020 . 2 . . . . 13 GLY HA3 . 15733 1 120 . 1 1 13 13 GLY CA C 13 44.933 0.400 . 1 . . . . 13 GLY CA . 15733 1 121 . 1 1 13 13 GLY N N 15 113.163 0.400 . 1 . . . . 13 GLY N . 15733 1 122 . 1 1 14 14 GLU H H 1 7.984 0.020 . 1 . . . . 14 GLU H . 15733 1 123 . 1 1 14 14 GLU HA H 1 4.081 0.020 . 1 . . . . 14 GLU HA . 15733 1 124 . 1 1 14 14 GLU HB2 H 1 2.078 0.020 . 2 . . . . 14 GLU HB2 . 15733 1 125 . 1 1 14 14 GLU HB3 H 1 2.025 0.020 . 2 . . . . 14 GLU HB3 . 15733 1 126 . 1 1 14 14 GLU HG2 H 1 2.354 0.020 . 2 . . . . 14 GLU HG2 . 15733 1 127 . 1 1 14 14 GLU HG3 H 1 2.196 0.020 . 2 . . . . 14 GLU HG3 . 15733 1 128 . 1 1 14 14 GLU CA C 13 58.234 0.400 . 1 . . . . 14 GLU CA . 15733 1 129 . 1 1 14 14 GLU CB C 13 31.216 0.400 . 1 . . . . 14 GLU CB . 15733 1 130 . 1 1 14 14 GLU CG C 13 37.327 0.400 . 1 . . . . 14 GLU CG . 15733 1 131 . 1 1 14 14 GLU N N 15 123.232 0.400 . 1 . . . . 14 GLU N . 15733 1 132 . 1 1 15 15 VAL H H 1 8.452 0.020 . 1 . . . . 15 VAL H . 15733 1 133 . 1 1 15 15 VAL HA H 1 4.646 0.020 . 1 . . . . 15 VAL HA . 15733 1 134 . 1 1 15 15 VAL HB H 1 1.927 0.020 . 1 . . . . 15 VAL HB . 15733 1 135 . 1 1 15 15 VAL HG11 H 1 0.957 0.020 . 2 . . . . 15 VAL HG1 . 15733 1 136 . 1 1 15 15 VAL HG12 H 1 0.957 0.020 . 2 . . . . 15 VAL HG1 . 15733 1 137 . 1 1 15 15 VAL HG13 H 1 0.957 0.020 . 2 . . . . 15 VAL HG1 . 15733 1 138 . 1 1 15 15 VAL HG21 H 1 0.860 0.020 . 2 . . . . 15 VAL HG2 . 15733 1 139 . 1 1 15 15 VAL HG22 H 1 0.860 0.020 . 2 . . . . 15 VAL HG2 . 15733 1 140 . 1 1 15 15 VAL HG23 H 1 0.860 0.020 . 2 . . . . 15 VAL HG2 . 15733 1 141 . 1 1 15 15 VAL CA C 13 62.888 0.400 . 1 . . . . 15 VAL CA . 15733 1 142 . 1 1 15 15 VAL CB C 13 31.498 0.400 . 1 . . . . 15 VAL CB . 15733 1 143 . 1 1 15 15 VAL CG1 C 13 21.504 0.400 . 1 . . . . 15 VAL CG1 . 15733 1 144 . 1 1 15 15 VAL CG2 C 13 21.590 0.400 . 1 . . . . 15 VAL CG2 . 15733 1 145 . 1 1 15 15 VAL N N 15 126.169 0.400 . 1 . . . . 15 VAL N . 15733 1 146 . 1 1 16 16 VAL H H 1 8.897 0.020 . 1 . . . . 16 VAL H . 15733 1 147 . 1 1 16 16 VAL HA H 1 4.634 0.020 . 1 . . . . 16 VAL HA . 15733 1 148 . 1 1 16 16 VAL HB H 1 1.844 0.020 . 1 . . . . 16 VAL HB . 15733 1 149 . 1 1 16 16 VAL HG11 H 1 0.380 0.020 . 2 . . . . 16 VAL HG1 . 15733 1 150 . 1 1 16 16 VAL HG12 H 1 0.380 0.020 . 2 . . . . 16 VAL HG1 . 15733 1 151 . 1 1 16 16 VAL HG13 H 1 0.380 0.020 . 2 . . . . 16 VAL HG1 . 15733 1 152 . 1 1 16 16 VAL HG21 H 1 0.173 0.020 . 2 . . . . 16 VAL HG2 . 15733 1 153 . 1 1 16 16 VAL HG22 H 1 0.173 0.020 . 2 . . . . 16 VAL HG2 . 15733 1 154 . 1 1 16 16 VAL HG23 H 1 0.173 0.020 . 2 . . . . 16 VAL HG2 . 15733 1 155 . 1 1 16 16 VAL CA C 13 58.761 0.400 . 1 . . . . 16 VAL CA . 15733 1 156 . 1 1 16 16 VAL CB C 13 35.135 0.400 . 1 . . . . 16 VAL CB . 15733 1 157 . 1 1 16 16 VAL CG1 C 13 21.815 0.400 . 1 . . . . 16 VAL CG1 . 15733 1 158 . 1 1 16 16 VAL CG2 C 13 18.786 0.400 . 1 . . . . 16 VAL CG2 . 15733 1 159 . 1 1 16 16 VAL N N 15 121.876 0.400 . 1 . . . . 16 VAL N . 15733 1 160 . 1 1 17 17 MET H H 1 8.481 0.020 . 1 . . . . 17 MET H . 15733 1 161 . 1 1 17 17 MET HA H 1 5.481 0.020 . 1 . . . . 17 MET HA . 15733 1 162 . 1 1 17 17 MET HB2 H 1 1.573 0.020 . 2 . . . . 17 MET HB2 . 15733 1 163 . 1 1 17 17 MET HB3 H 1 1.849 0.020 . 2 . . . . 17 MET HB3 . 15733 1 164 . 1 1 17 17 MET HE1 H 1 1.670 0.020 . 1 . . . . 17 MET HE . 15733 1 165 . 1 1 17 17 MET HE2 H 1 1.670 0.020 . 1 . . . . 17 MET HE . 15733 1 166 . 1 1 17 17 MET HE3 H 1 1.670 0.020 . 1 . . . . 17 MET HE . 15733 1 167 . 1 1 17 17 MET HG2 H 1 2.296 0.020 . 2 . . . . 17 MET HG2 . 15733 1 168 . 1 1 17 17 MET HG3 H 1 2.146 0.020 . 2 . . . . 17 MET HG3 . 15733 1 169 . 1 1 17 17 MET CA C 13 52.231 0.400 . 1 . . . . 17 MET CA . 15733 1 170 . 1 1 17 17 MET CB C 13 32.322 0.400 . 1 . . . . 17 MET CB . 15733 1 171 . 1 1 17 17 MET CE C 13 16.469 0.400 . 1 . . . . 17 MET CE . 15733 1 172 . 1 1 17 17 MET CG C 13 31.800 0.400 . 1 . . . . 17 MET CG . 15733 1 173 . 1 1 17 17 MET N N 15 115.176 0.400 . 1 . . . . 17 MET N . 15733 1 174 . 1 1 18 18 GLY H H 1 9.720 0.020 . 1 . . . . 18 GLY H . 15733 1 175 . 1 1 18 18 GLY HA2 H 1 3.015 0.020 . 2 . . . . 18 GLY HA2 . 15733 1 176 . 1 1 18 18 GLY HA3 H 1 5.178 0.020 . 2 . . . . 18 GLY HA3 . 15733 1 177 . 1 1 18 18 GLY CA C 13 43.778 0.400 . 1 . . . . 18 GLY CA . 15733 1 178 . 1 1 18 18 GLY N N 15 109.784 0.400 . 1 . . . . 18 GLY N . 15733 1 179 . 1 1 19 19 ARG H H 1 8.470 0.020 . 1 . . . . 19 ARG H . 15733 1 180 . 1 1 19 19 ARG HA H 1 3.887 0.020 . 1 . . . . 19 ARG HA . 15733 1 181 . 1 1 19 19 ARG HB2 H 1 1.370 0.020 . 2 . . . . 19 ARG HB2 . 15733 1 182 . 1 1 19 19 ARG HB3 H 1 0.841 0.020 . 2 . . . . 19 ARG HB3 . 15733 1 183 . 1 1 19 19 ARG HD2 H 1 2.753 0.020 . 2 . . . . 19 ARG HD2 . 15733 1 184 . 1 1 19 19 ARG HD3 H 1 3.171 0.020 . 2 . . . . 19 ARG HD3 . 15733 1 185 . 1 1 19 19 ARG HE H 1 7.143 0.020 . 1 . . . . 19 ARG HE . 15733 1 186 . 1 1 19 19 ARG HG2 H 1 0.710 0.020 . 2 . . . . 19 ARG HG2 . 15733 1 187 . 1 1 19 19 ARG HG3 H 1 1.186 0.020 . 2 . . . . 19 ARG HG3 . 15733 1 188 . 1 1 19 19 ARG CA C 13 55.411 0.400 . 1 . . . . 19 ARG CA . 15733 1 189 . 1 1 19 19 ARG CB C 13 30.897 0.400 . 1 . . . . 19 ARG CB . 15733 1 190 . 1 1 19 19 ARG CD C 13 43.633 0.400 . 1 . . . . 19 ARG CD . 15733 1 191 . 1 1 19 19 ARG CG C 13 26.703 0.400 . 1 . . . . 19 ARG CG . 15733 1 192 . 1 1 19 19 ARG N N 15 127.096 0.400 . 1 . . . . 19 ARG N . 15733 1 193 . 1 1 19 19 ARG NE N 15 112.238 0.400 . 1 . . . . 19 ARG NE . 15733 1 194 . 1 1 20 20 TRP H H 1 8.353 0.020 . 1 . . . . 20 TRP H . 15733 1 195 . 1 1 20 20 TRP HA H 1 4.474 0.020 . 1 . . . . 20 TRP HA . 15733 1 196 . 1 1 20 20 TRP HB2 H 1 3.110 0.020 . 2 . . . . 20 TRP HB2 . 15733 1 197 . 1 1 20 20 TRP HB3 H 1 2.946 0.020 . 2 . . . . 20 TRP HB3 . 15733 1 198 . 1 1 20 20 TRP HD1 H 1 7.137 0.020 . 1 . . . . 20 TRP HD1 . 15733 1 199 . 1 1 20 20 TRP HE1 H 1 9.834 0.020 . 1 . . . . 20 TRP HE1 . 15733 1 200 . 1 1 20 20 TRP HE3 H 1 6.783 0.020 . 1 . . . . 20 TRP HE3 . 15733 1 201 . 1 1 20 20 TRP HH2 H 1 6.639 0.020 . 1 . . . . 20 TRP HH2 . 15733 1 202 . 1 1 20 20 TRP HZ2 H 1 7.112 0.020 . 1 . . . . 20 TRP HZ2 . 15733 1 203 . 1 1 20 20 TRP HZ3 H 1 5.942 0.020 . 1 . . . . 20 TRP HZ3 . 15733 1 204 . 1 1 20 20 TRP CA C 13 55.042 0.400 . 1 . . . . 20 TRP CA . 15733 1 205 . 1 1 20 20 TRP CB C 13 29.241 0.400 . 1 . . . . 20 TRP CB . 15733 1 206 . 1 1 20 20 TRP CD1 C 13 126.876 0.400 . 1 . . . . 20 TRP CD1 . 15733 1 207 . 1 1 20 20 TRP CE3 C 13 120.629 0.400 . 1 . . . . 20 TRP CE3 . 15733 1 208 . 1 1 20 20 TRP CH2 C 13 123.793 0.400 . 1 . . . . 20 TRP CH2 . 15733 1 209 . 1 1 20 20 TRP CZ2 C 13 114.176 0.400 . 1 . . . . 20 TRP CZ2 . 15733 1 210 . 1 1 20 20 TRP CZ3 C 13 120.492 0.400 . 1 . . . . 20 TRP CZ3 . 15733 1 211 . 1 1 20 20 TRP N N 15 130.507 0.400 . 1 . . . . 20 TRP N . 15733 1 212 . 1 1 20 20 TRP NE1 N 15 128.506 0.400 . 1 . . . . 20 TRP NE1 . 15733 1 213 . 1 1 21 21 PRO HA H 1 4.147 0.020 . 1 . . . . 21 PRO HA . 15733 1 214 . 1 1 21 21 PRO HB2 H 1 2.114 0.020 . 2 . . . . 21 PRO HB2 . 15733 1 215 . 1 1 21 21 PRO HB3 H 1 1.671 0.020 . 2 . . . . 21 PRO HB3 . 15733 1 216 . 1 1 21 21 PRO HD2 H 1 3.368 0.020 . 2 . . . . 21 PRO HD2 . 15733 1 217 . 1 1 21 21 PRO HD3 H 1 2.354 0.020 . 2 . . . . 21 PRO HD3 . 15733 1 218 . 1 1 21 21 PRO HG2 H 1 1.689 0.020 . 2 . . . . 21 PRO HG2 . 15733 1 219 . 1 1 21 21 PRO HG3 H 1 1.692 0.020 . 2 . . . . 21 PRO HG3 . 15733 1 220 . 1 1 21 21 PRO CA C 13 64.054 0.400 . 1 . . . . 21 PRO CA . 15733 1 221 . 1 1 21 21 PRO CB C 13 31.565 0.400 . 1 . . . . 21 PRO CB . 15733 1 222 . 1 1 21 21 PRO CD C 13 50.831 0.400 . 1 . . . . 21 PRO CD . 15733 1 223 . 1 1 21 21 PRO CG C 13 27.307 0.400 . 1 . . . . 21 PRO CG . 15733 1 224 . 1 1 22 22 GLY H H 1 8.689 0.020 . 1 . . . . 22 GLY H . 15733 1 225 . 1 1 22 22 GLY HA2 H 1 3.695 0.020 . 2 . . . . 22 GLY HA2 . 15733 1 226 . 1 1 22 22 GLY HA3 H 1 4.097 0.020 . 2 . . . . 22 GLY HA3 . 15733 1 227 . 1 1 22 22 GLY CA C 13 45.364 0.400 . 1 . . . . 22 GLY CA . 15733 1 228 . 1 1 22 22 GLY N N 15 111.624 0.400 . 1 . . . . 22 GLY N . 15733 1 229 . 1 1 23 23 SER H H 1 8.252 0.020 . 1 . . . . 23 SER H . 15733 1 230 . 1 1 23 23 SER HA H 1 4.954 0.020 . 1 . . . . 23 SER HA . 15733 1 231 . 1 1 23 23 SER HB2 H 1 3.944 0.020 . 2 . . . . 23 SER HB2 . 15733 1 232 . 1 1 23 23 SER HB3 H 1 3.844 0.020 . 2 . . . . 23 SER HB3 . 15733 1 233 . 1 1 23 23 SER CA C 13 56.308 0.400 . 1 . . . . 23 SER CA . 15733 1 234 . 1 1 23 23 SER CB C 13 66.534 0.400 . 1 . . . . 23 SER CB . 15733 1 235 . 1 1 23 23 SER N N 15 116.177 0.400 . 1 . . . . 23 SER N . 15733 1 236 . 1 1 24 24 VAL H H 1 8.043 0.020 . 1 . . . . 24 VAL H . 15733 1 237 . 1 1 24 24 VAL HA H 1 4.381 0.020 . 1 . . . . 24 VAL HA . 15733 1 238 . 1 1 24 24 VAL HB H 1 2.448 0.020 . 1 . . . . 24 VAL HB . 15733 1 239 . 1 1 24 24 VAL HG11 H 1 0.934 0.020 . 2 . . . . 24 VAL HG1 . 15733 1 240 . 1 1 24 24 VAL HG12 H 1 0.934 0.020 . 2 . . . . 24 VAL HG1 . 15733 1 241 . 1 1 24 24 VAL HG13 H 1 0.934 0.020 . 2 . . . . 24 VAL HG1 . 15733 1 242 . 1 1 24 24 VAL HG21 H 1 0.846 0.020 . 2 . . . . 24 VAL HG2 . 15733 1 243 . 1 1 24 24 VAL HG22 H 1 0.846 0.020 . 2 . . . . 24 VAL HG2 . 15733 1 244 . 1 1 24 24 VAL HG23 H 1 0.846 0.020 . 2 . . . . 24 VAL HG2 . 15733 1 245 . 1 1 24 24 VAL CA C 13 61.130 0.400 . 1 . . . . 24 VAL CA . 15733 1 246 . 1 1 24 24 VAL CB C 13 31.323 0.400 . 1 . . . . 24 VAL CB . 15733 1 247 . 1 1 24 24 VAL CG1 C 13 21.423 0.400 . 1 . . . . 24 VAL CG1 . 15733 1 248 . 1 1 24 24 VAL CG2 C 13 18.378 0.400 . 1 . . . . 24 VAL CG2 . 15733 1 249 . 1 1 24 24 VAL N N 15 113.656 0.400 . 1 . . . . 24 VAL N . 15733 1 250 . 1 1 25 25 LEU H H 1 8.289 0.020 . 1 . . . . 25 LEU H . 15733 1 251 . 1 1 25 25 LEU HA H 1 4.398 0.020 . 1 . . . . 25 LEU HA . 15733 1 252 . 1 1 25 25 LEU HB2 H 1 1.682 0.020 . 2 . . . . 25 LEU HB2 . 15733 1 253 . 1 1 25 25 LEU HB3 H 1 1.156 0.020 . 2 . . . . 25 LEU HB3 . 15733 1 254 . 1 1 25 25 LEU HD11 H 1 0.783 0.020 . 2 . . . . 25 LEU HD1 . 15733 1 255 . 1 1 25 25 LEU HD12 H 1 0.783 0.020 . 2 . . . . 25 LEU HD1 . 15733 1 256 . 1 1 25 25 LEU HD13 H 1 0.783 0.020 . 2 . . . . 25 LEU HD1 . 15733 1 257 . 1 1 25 25 LEU HD21 H 1 0.858 0.020 . 2 . . . . 25 LEU HD2 . 15733 1 258 . 1 1 25 25 LEU HD22 H 1 0.858 0.020 . 2 . . . . 25 LEU HD2 . 15733 1 259 . 1 1 25 25 LEU HD23 H 1 0.858 0.020 . 2 . . . . 25 LEU HD2 . 15733 1 260 . 1 1 25 25 LEU HG H 1 1.540 0.020 . 1 . . . . 25 LEU HG . 15733 1 261 . 1 1 25 25 LEU CA C 13 54.432 0.400 . 1 . . . . 25 LEU CA . 15733 1 262 . 1 1 25 25 LEU CB C 13 43.558 0.400 . 1 . . . . 25 LEU CB . 15733 1 263 . 1 1 25 25 LEU CD1 C 13 22.765 0.400 . 1 . . . . 25 LEU CD1 . 15733 1 264 . 1 1 25 25 LEU CD2 C 13 25.253 0.400 . 1 . . . . 25 LEU CD2 . 15733 1 265 . 1 1 25 25 LEU CG C 13 27.080 0.400 . 1 . . . . 25 LEU CG . 15733 1 266 . 1 1 25 25 LEU N N 15 123.116 0.400 . 1 . . . . 25 LEU N . 15733 1 267 . 1 1 26 26 TYR H H 1 8.121 0.020 . 1 . . . . 26 TYR H . 15733 1 268 . 1 1 26 26 TYR HA H 1 4.955 0.020 . 1 . . . . 26 TYR HA . 15733 1 269 . 1 1 26 26 TYR HB2 H 1 2.341 0.020 . 2 . . . . 26 TYR HB2 . 15733 1 270 . 1 1 26 26 TYR HB3 H 1 2.679 0.020 . 2 . . . . 26 TYR HB3 . 15733 1 271 . 1 1 26 26 TYR HD1 H 1 6.814 0.020 . 1 . . . . 26 TYR HD1 . 15733 1 272 . 1 1 26 26 TYR HD2 H 1 6.814 0.020 . 1 . . . . 26 TYR HD2 . 15733 1 273 . 1 1 26 26 TYR HE1 H 1 6.603 0.020 . 1 . . . . 26 TYR HE1 . 15733 1 274 . 1 1 26 26 TYR HE2 H 1 6.603 0.020 . 1 . . . . 26 TYR HE2 . 15733 1 275 . 1 1 26 26 TYR CA C 13 56.847 0.400 . 1 . . . . 26 TYR CA . 15733 1 276 . 1 1 26 26 TYR CB C 13 41.345 0.400 . 1 . . . . 26 TYR CB . 15733 1 277 . 1 1 26 26 TYR CD1 C 13 133.507 0.400 . 1 . . . . 26 TYR CD1 . 15733 1 278 . 1 1 26 26 TYR CD2 C 13 133.507 0.400 . 1 . . . . 26 TYR CD2 . 15733 1 279 . 1 1 26 26 TYR CE1 C 13 119.026 0.400 . 1 . . . . 26 TYR CE1 . 15733 1 280 . 1 1 26 26 TYR CE2 C 13 119.026 0.400 . 1 . . . . 26 TYR CE2 . 15733 1 281 . 1 1 26 26 TYR N N 15 117.878 0.400 . 1 . . . . 26 TYR N . 15733 1 282 . 1 1 27 27 TYR H H 1 8.998 0.020 . 1 . . . . 27 TYR H . 15733 1 283 . 1 1 27 27 TYR HA H 1 4.667 0.020 . 1 . . . . 27 TYR HA . 15733 1 284 . 1 1 27 27 TYR HB2 H 1 2.549 0.020 . 2 . . . . 27 TYR HB2 . 15733 1 285 . 1 1 27 27 TYR HB3 H 1 3.064 0.020 . 2 . . . . 27 TYR HB3 . 15733 1 286 . 1 1 27 27 TYR HD1 H 1 6.856 0.020 . 1 . . . . 27 TYR HD1 . 15733 1 287 . 1 1 27 27 TYR HD2 H 1 6.856 0.020 . 1 . . . . 27 TYR HD2 . 15733 1 288 . 1 1 27 27 TYR HE1 H 1 6.336 0.020 . 1 . . . . 27 TYR HE1 . 15733 1 289 . 1 1 27 27 TYR HE2 H 1 6.336 0.020 . 1 . . . . 27 TYR HE2 . 15733 1 290 . 1 1 27 27 TYR CA C 13 56.097 0.400 . 1 . . . . 27 TYR CA . 15733 1 291 . 1 1 27 27 TYR CB C 13 42.374 0.400 . 1 . . . . 27 TYR CB . 15733 1 292 . 1 1 27 27 TYR CD1 C 13 132.870 0.400 . 1 . . . . 27 TYR CD1 . 15733 1 293 . 1 1 27 27 TYR CD2 C 13 132.870 0.400 . 1 . . . . 27 TYR CD2 . 15733 1 294 . 1 1 27 27 TYR CE1 C 13 117.666 0.400 . 1 . . . . 27 TYR CE1 . 15733 1 295 . 1 1 27 27 TYR CE2 C 13 117.666 0.400 . 1 . . . . 27 TYR CE2 . 15733 1 296 . 1 1 27 27 TYR N N 15 119.634 0.400 . 1 . . . . 27 TYR N . 15733 1 297 . 1 1 28 28 GLU H H 1 8.912 0.020 . 1 . . . . 28 GLU H . 15733 1 298 . 1 1 28 28 GLU HA H 1 4.888 0.020 . 1 . . . . 28 GLU HA . 15733 1 299 . 1 1 28 28 GLU HB2 H 1 2.029 0.020 . 2 . . . . 28 GLU HB2 . 15733 1 300 . 1 1 28 28 GLU HB3 H 1 1.866 0.020 . 2 . . . . 28 GLU HB3 . 15733 1 301 . 1 1 28 28 GLU HG2 H 1 2.141 0.020 . 2 . . . . 28 GLU HG2 . 15733 1 302 . 1 1 28 28 GLU HG3 H 1 2.025 0.020 . 2 . . . . 28 GLU HG3 . 15733 1 303 . 1 1 28 28 GLU CA C 13 57.746 0.400 . 1 . . . . 28 GLU CA . 15733 1 304 . 1 1 28 28 GLU CB C 13 30.451 0.400 . 1 . . . . 28 GLU CB . 15733 1 305 . 1 1 28 28 GLU CG C 13 37.888 0.400 . 1 . . . . 28 GLU CG . 15733 1 306 . 1 1 28 28 GLU N N 15 124.131 0.400 . 1 . . . . 28 GLU N . 15733 1 307 . 1 1 29 29 VAL H H 1 9.227 0.020 . 1 . . . . 29 VAL H . 15733 1 308 . 1 1 29 29 VAL HA H 1 4.922 0.020 . 1 . . . . 29 VAL HA . 15733 1 309 . 1 1 29 29 VAL HB H 1 1.715 0.020 . 1 . . . . 29 VAL HB . 15733 1 310 . 1 1 29 29 VAL HG11 H 1 0.707 0.020 . 2 . . . . 29 VAL HG1 . 15733 1 311 . 1 1 29 29 VAL HG12 H 1 0.707 0.020 . 2 . . . . 29 VAL HG1 . 15733 1 312 . 1 1 29 29 VAL HG13 H 1 0.707 0.020 . 2 . . . . 29 VAL HG1 . 15733 1 313 . 1 1 29 29 VAL HG21 H 1 0.487 0.020 . 2 . . . . 29 VAL HG2 . 15733 1 314 . 1 1 29 29 VAL HG22 H 1 0.487 0.020 . 2 . . . . 29 VAL HG2 . 15733 1 315 . 1 1 29 29 VAL HG23 H 1 0.487 0.020 . 2 . . . . 29 VAL HG2 . 15733 1 316 . 1 1 29 29 VAL CA C 13 58.841 0.400 . 1 . . . . 29 VAL CA . 15733 1 317 . 1 1 29 29 VAL CB C 13 37.332 0.400 . 1 . . . . 29 VAL CB . 15733 1 318 . 1 1 29 29 VAL CG1 C 13 22.141 0.400 . 1 . . . . 29 VAL CG1 . 15733 1 319 . 1 1 29 29 VAL CG2 C 13 17.925 0.400 . 1 . . . . 29 VAL CG2 . 15733 1 320 . 1 1 29 29 VAL N N 15 120.277 0.400 . 1 . . . . 29 VAL N . 15733 1 321 . 1 1 30 30 GLN H H 1 8.292 0.020 . 1 . . . . 30 GLN H . 15733 1 322 . 1 1 30 30 GLN HA H 1 5.210 0.020 . 1 . . . . 30 GLN HA . 15733 1 323 . 1 1 30 30 GLN HB2 H 1 1.826 0.020 . 2 . . . . 30 GLN HB2 . 15733 1 324 . 1 1 30 30 GLN HB3 H 1 1.857 0.020 . 2 . . . . 30 GLN HB3 . 15733 1 325 . 1 1 30 30 GLN HE21 H 1 7.520 0.020 . 2 . . . . 30 GLN HE21 . 15733 1 326 . 1 1 30 30 GLN HE22 H 1 6.817 0.020 . 2 . . . . 30 GLN HE22 . 15733 1 327 . 1 1 30 30 GLN HG2 H 1 2.018 0.020 . 2 . . . . 30 GLN HG2 . 15733 1 328 . 1 1 30 30 GLN HG3 H 1 2.004 0.020 . 2 . . . . 30 GLN HG3 . 15733 1 329 . 1 1 30 30 GLN CA C 13 53.327 0.400 . 1 . . . . 30 GLN CA . 15733 1 330 . 1 1 30 30 GLN CB C 13 32.061 0.400 . 1 . . . . 30 GLN CB . 15733 1 331 . 1 1 30 30 GLN CG C 13 33.833 0.400 . 1 . . . . 30 GLN CG . 15733 1 332 . 1 1 30 30 GLN N N 15 118.836 0.400 . 1 . . . . 30 GLN N . 15733 1 333 . 1 1 30 30 GLN NE2 N 15 111.872 0.400 . 1 . . . . 30 GLN NE2 . 15733 1 334 . 1 1 31 31 VAL H H 1 9.012 0.020 . 1 . . . . 31 VAL H . 15733 1 335 . 1 1 31 31 VAL HA H 1 4.044 0.020 . 1 . . . . 31 VAL HA . 15733 1 336 . 1 1 31 31 VAL HB H 1 2.498 0.020 . 1 . . . . 31 VAL HB . 15733 1 337 . 1 1 31 31 VAL HG11 H 1 0.762 0.020 . 2 . . . . 31 VAL HG1 . 15733 1 338 . 1 1 31 31 VAL HG12 H 1 0.762 0.020 . 2 . . . . 31 VAL HG1 . 15733 1 339 . 1 1 31 31 VAL HG13 H 1 0.762 0.020 . 2 . . . . 31 VAL HG1 . 15733 1 340 . 1 1 31 31 VAL HG21 H 1 1.045 0.020 . 2 . . . . 31 VAL HG2 . 15733 1 341 . 1 1 31 31 VAL HG22 H 1 1.045 0.020 . 2 . . . . 31 VAL HG2 . 15733 1 342 . 1 1 31 31 VAL HG23 H 1 1.045 0.020 . 2 . . . . 31 VAL HG2 . 15733 1 343 . 1 1 31 31 VAL CA C 13 64.347 0.400 . 1 . . . . 31 VAL CA . 15733 1 344 . 1 1 31 31 VAL CB C 13 32.055 0.400 . 1 . . . . 31 VAL CB . 15733 1 345 . 1 1 31 31 VAL CG1 C 13 21.969 0.400 . 1 . . . . 31 VAL CG1 . 15733 1 346 . 1 1 31 31 VAL CG2 C 13 23.129 0.400 . 1 . . . . 31 VAL CG2 . 15733 1 347 . 1 1 31 31 VAL N N 15 127.137 0.400 . 1 . . . . 31 VAL N . 15733 1 348 . 1 1 32 32 THR H H 1 9.737 0.020 . 1 . . . . 32 THR H . 15733 1 349 . 1 1 32 32 THR HA H 1 4.596 0.020 . 1 . . . . 32 THR HA . 15733 1 350 . 1 1 32 32 THR HB H 1 4.124 0.020 . 1 . . . . 32 THR HB . 15733 1 351 . 1 1 32 32 THR HG21 H 1 1.096 0.020 . 1 . . . . 32 THR HG2 . 15733 1 352 . 1 1 32 32 THR HG22 H 1 1.096 0.020 . 1 . . . . 32 THR HG2 . 15733 1 353 . 1 1 32 32 THR HG23 H 1 1.096 0.020 . 1 . . . . 32 THR HG2 . 15733 1 354 . 1 1 32 32 THR CA C 13 62.394 0.400 . 1 . . . . 32 THR CA . 15733 1 355 . 1 1 32 32 THR CB C 13 69.498 0.400 . 1 . . . . 32 THR CB . 15733 1 356 . 1 1 32 32 THR CG2 C 13 22.335 0.400 . 1 . . . . 32 THR CG2 . 15733 1 357 . 1 1 32 32 THR N N 15 122.610 0.400 . 1 . . . . 32 THR N . 15733 1 358 . 1 1 33 33 SER H H 1 7.925 0.020 . 1 . . . . 33 SER H . 15733 1 359 . 1 1 33 33 SER HA H 1 4.903 0.020 . 1 . . . . 33 SER HA . 15733 1 360 . 1 1 33 33 SER HB2 H 1 3.906 0.020 . 2 . . . . 33 SER HB2 . 15733 1 361 . 1 1 33 33 SER HB3 H 1 3.887 0.020 . 2 . . . . 33 SER HB3 . 15733 1 362 . 1 1 33 33 SER CA C 13 58.835 0.400 . 1 . . . . 33 SER CA . 15733 1 363 . 1 1 33 33 SER CB C 13 64.314 0.400 . 1 . . . . 33 SER CB . 15733 1 364 . 1 1 33 33 SER N N 15 113.908 0.400 . 1 . . . . 33 SER N . 15733 1 365 . 1 1 34 34 TYR H H 1 8.474 0.020 . 1 . . . . 34 TYR H . 15733 1 366 . 1 1 34 34 TYR HA H 1 4.740 0.020 . 1 . . . . 34 TYR HA . 15733 1 367 . 1 1 34 34 TYR HB2 H 1 2.462 0.020 . 2 . . . . 34 TYR HB2 . 15733 1 368 . 1 1 34 34 TYR HB3 H 1 2.706 0.020 . 2 . . . . 34 TYR HB3 . 15733 1 369 . 1 1 34 34 TYR HD1 H 1 5.826 0.020 . 1 . . . . 34 TYR HD1 . 15733 1 370 . 1 1 34 34 TYR HD2 H 1 5.826 0.020 . 1 . . . . 34 TYR HD2 . 15733 1 371 . 1 1 34 34 TYR HE1 H 1 6.336 0.020 . 1 . . . . 34 TYR HE1 . 15733 1 372 . 1 1 34 34 TYR HE2 H 1 6.336 0.020 . 1 . . . . 34 TYR HE2 . 15733 1 373 . 1 1 34 34 TYR CA C 13 57.221 0.400 . 1 . . . . 34 TYR CA . 15733 1 374 . 1 1 34 34 TYR CB C 13 41.115 0.400 . 1 . . . . 34 TYR CB . 15733 1 375 . 1 1 34 34 TYR CD1 C 13 132.801 0.400 . 1 . . . . 34 TYR CD1 . 15733 1 376 . 1 1 34 34 TYR CD2 C 13 132.801 0.400 . 1 . . . . 34 TYR CD2 . 15733 1 377 . 1 1 34 34 TYR CE1 C 13 117.666 0.400 . 1 . . . . 34 TYR CE1 . 15733 1 378 . 1 1 34 34 TYR CE2 C 13 117.666 0.400 . 1 . . . . 34 TYR CE2 . 15733 1 379 . 1 1 34 34 TYR N N 15 119.862 0.400 . 1 . . . . 34 TYR N . 15733 1 380 . 1 1 35 35 ASP H H 1 7.300 0.020 . 1 . . . . 35 ASP H . 15733 1 381 . 1 1 35 35 ASP HA H 1 4.585 0.020 . 1 . . . . 35 ASP HA . 15733 1 382 . 1 1 35 35 ASP HB2 H 1 2.264 0.020 . 2 . . . . 35 ASP HB2 . 15733 1 383 . 1 1 35 35 ASP HB3 H 1 2.676 0.020 . 2 . . . . 35 ASP HB3 . 15733 1 384 . 1 1 35 35 ASP CA C 13 51.991 0.400 . 1 . . . . 35 ASP CA . 15733 1 385 . 1 1 35 35 ASP CB C 13 42.576 0.400 . 1 . . . . 35 ASP CB . 15733 1 386 . 1 1 35 35 ASP N N 15 127.894 0.400 . 1 . . . . 35 ASP N . 15733 1 387 . 1 1 36 36 ASP H H 1 8.376 0.020 . 1 . . . . 36 ASP H . 15733 1 388 . 1 1 36 36 ASP HA H 1 3.928 0.020 . 1 . . . . 36 ASP HA . 15733 1 389 . 1 1 36 36 ASP HB2 H 1 2.603 0.020 . 2 . . . . 36 ASP HB2 . 15733 1 390 . 1 1 36 36 ASP HB3 H 1 2.517 0.020 . 2 . . . . 36 ASP HB3 . 15733 1 391 . 1 1 36 36 ASP CA C 13 55.880 0.400 . 1 . . . . 36 ASP CA . 15733 1 392 . 1 1 36 36 ASP CB C 13 41.537 0.400 . 1 . . . . 36 ASP CB . 15733 1 393 . 1 1 36 36 ASP N N 15 124.373 0.400 . 1 . . . . 36 ASP N . 15733 1 394 . 1 1 37 37 ALA H H 1 8.098 0.020 . 1 . . . . 37 ALA H . 15733 1 395 . 1 1 37 37 ALA HA H 1 4.107 0.020 . 1 . . . . 37 ALA HA . 15733 1 396 . 1 1 37 37 ALA HB1 H 1 1.338 0.020 . 1 . . . . 37 ALA HB . 15733 1 397 . 1 1 37 37 ALA HB2 H 1 1.338 0.020 . 1 . . . . 37 ALA HB . 15733 1 398 . 1 1 37 37 ALA HB3 H 1 1.338 0.020 . 1 . . . . 37 ALA HB . 15733 1 399 . 1 1 37 37 ALA CA C 13 53.958 0.400 . 1 . . . . 37 ALA CA . 15733 1 400 . 1 1 37 37 ALA CB C 13 18.600 0.400 . 1 . . . . 37 ALA CB . 15733 1 401 . 1 1 37 37 ALA N N 15 119.736 0.400 . 1 . . . . 37 ALA N . 15733 1 402 . 1 1 38 38 SER H H 1 7.463 0.020 . 1 . . . . 38 SER H . 15733 1 403 . 1 1 38 38 SER HA H 1 4.166 0.020 . 1 . . . . 38 SER HA . 15733 1 404 . 1 1 38 38 SER HB2 H 1 3.733 0.020 . 2 . . . . 38 SER HB2 . 15733 1 405 . 1 1 38 38 SER HB3 H 1 3.604 0.020 . 2 . . . . 38 SER HB3 . 15733 1 406 . 1 1 38 38 SER CA C 13 57.858 0.400 . 1 . . . . 38 SER CA . 15733 1 407 . 1 1 38 38 SER CB C 13 64.382 0.400 . 1 . . . . 38 SER CB . 15733 1 408 . 1 1 38 38 SER N N 15 110.678 0.400 . 1 . . . . 38 SER N . 15733 1 409 . 1 1 39 39 HIS H H 1 7.879 0.020 . 1 . . . . 39 HIS H . 15733 1 410 . 1 1 39 39 HIS HA H 1 3.942 0.020 . 1 . . . . 39 HIS HA . 15733 1 411 . 1 1 39 39 HIS HB2 H 1 3.552 0.020 . 2 . . . . 39 HIS HB2 . 15733 1 412 . 1 1 39 39 HIS HB3 H 1 3.449 0.020 . 2 . . . . 39 HIS HB3 . 15733 1 413 . 1 1 39 39 HIS HD2 H 1 7.051 0.020 . 1 . . . . 39 HIS HD2 . 15733 1 414 . 1 1 39 39 HIS HE1 H 1 8.292 0.020 . 1 . . . . 39 HIS HE1 . 15733 1 415 . 1 1 39 39 HIS CA C 13 56.378 0.400 . 1 . . . . 39 HIS CA . 15733 1 416 . 1 1 39 39 HIS CB C 13 26.349 0.400 . 1 . . . . 39 HIS CB . 15733 1 417 . 1 1 39 39 HIS CD2 C 13 119.419 0.400 . 1 . . . . 39 HIS CD2 . 15733 1 418 . 1 1 39 39 HIS CE1 C 13 136.373 0.400 . 1 . . . . 39 HIS CE1 . 15733 1 419 . 1 1 39 39 HIS N N 15 116.707 0.400 . 1 . . . . 39 HIS N . 15733 1 420 . 1 1 40 40 LEU H H 1 7.014 0.020 . 1 . . . . 40 LEU H . 15733 1 421 . 1 1 40 40 LEU HA H 1 4.870 0.020 . 1 . . . . 40 LEU HA . 15733 1 422 . 1 1 40 40 LEU HB2 H 1 1.489 0.020 . 2 . . . . 40 LEU HB2 . 15733 1 423 . 1 1 40 40 LEU HB3 H 1 1.006 0.020 . 2 . . . . 40 LEU HB3 . 15733 1 424 . 1 1 40 40 LEU HD11 H 1 0.708 0.020 . 2 . . . . 40 LEU HD1 . 15733 1 425 . 1 1 40 40 LEU HD12 H 1 0.708 0.020 . 2 . . . . 40 LEU HD1 . 15733 1 426 . 1 1 40 40 LEU HD13 H 1 0.708 0.020 . 2 . . . . 40 LEU HD1 . 15733 1 427 . 1 1 40 40 LEU HD21 H 1 0.728 0.020 . 2 . . . . 40 LEU HD2 . 15733 1 428 . 1 1 40 40 LEU HD22 H 1 0.728 0.020 . 2 . . . . 40 LEU HD2 . 15733 1 429 . 1 1 40 40 LEU HD23 H 1 0.728 0.020 . 2 . . . . 40 LEU HD2 . 15733 1 430 . 1 1 40 40 LEU HG H 1 1.416 0.020 . 1 . . . . 40 LEU HG . 15733 1 431 . 1 1 40 40 LEU CA C 13 53.578 0.400 . 1 . . . . 40 LEU CA . 15733 1 432 . 1 1 40 40 LEU CB C 13 44.376 0.400 . 1 . . . . 40 LEU CB . 15733 1 433 . 1 1 40 40 LEU CD1 C 13 23.748 0.400 . 1 . . . . 40 LEU CD1 . 15733 1 434 . 1 1 40 40 LEU CD2 C 13 25.061 0.400 . 1 . . . . 40 LEU CD2 . 15733 1 435 . 1 1 40 40 LEU CG C 13 25.994 0.400 . 1 . . . . 40 LEU CG . 15733 1 436 . 1 1 40 40 LEU N N 15 116.339 0.400 . 1 . . . . 40 LEU N . 15733 1 437 . 1 1 41 41 TYR H H 1 9.664 0.020 . 1 . . . . 41 TYR H . 15733 1 438 . 1 1 41 41 TYR HA H 1 5.031 0.020 . 1 . . . . 41 TYR HA . 15733 1 439 . 1 1 41 41 TYR HB2 H 1 2.757 0.020 . 2 . . . . 41 TYR HB2 . 15733 1 440 . 1 1 41 41 TYR HB3 H 1 2.945 0.020 . 2 . . . . 41 TYR HB3 . 15733 1 441 . 1 1 41 41 TYR HD1 H 1 7.278 0.020 . 1 . . . . 41 TYR HD1 . 15733 1 442 . 1 1 41 41 TYR HD2 H 1 7.278 0.020 . 1 . . . . 41 TYR HD2 . 15733 1 443 . 1 1 41 41 TYR HE1 H 1 7.036 0.020 . 1 . . . . 41 TYR HE1 . 15733 1 444 . 1 1 41 41 TYR HE2 H 1 7.036 0.020 . 1 . . . . 41 TYR HE2 . 15733 1 445 . 1 1 41 41 TYR CA C 13 58.234 0.400 . 1 . . . . 41 TYR CA . 15733 1 446 . 1 1 41 41 TYR CB C 13 40.103 0.400 . 1 . . . . 41 TYR CB . 15733 1 447 . 1 1 41 41 TYR CD1 C 13 133.900 0.400 . 1 . . . . 41 TYR CD1 . 15733 1 448 . 1 1 41 41 TYR CD2 C 13 133.900 0.400 . 1 . . . . 41 TYR CD2 . 15733 1 449 . 1 1 41 41 TYR CE1 C 13 118.278 0.400 . 1 . . . . 41 TYR CE1 . 15733 1 450 . 1 1 41 41 TYR CE2 C 13 118.278 0.400 . 1 . . . . 41 TYR CE2 . 15733 1 451 . 1 1 41 41 TYR N N 15 123.951 0.400 . 1 . . . . 41 TYR N . 15733 1 452 . 1 1 42 42 THR H H 1 8.939 0.020 . 1 . . . . 42 THR H . 15733 1 453 . 1 1 42 42 THR HA H 1 5.044 0.020 . 1 . . . . 42 THR HA . 15733 1 454 . 1 1 42 42 THR HB H 1 3.988 0.020 . 1 . . . . 42 THR HB . 15733 1 455 . 1 1 42 42 THR HG21 H 1 1.029 0.020 . 1 . . . . 42 THR HG2 . 15733 1 456 . 1 1 42 42 THR HG22 H 1 1.029 0.020 . 1 . . . . 42 THR HG2 . 15733 1 457 . 1 1 42 42 THR HG23 H 1 1.029 0.020 . 1 . . . . 42 THR HG2 . 15733 1 458 . 1 1 42 42 THR CA C 13 62.960 0.400 . 1 . . . . 42 THR CA . 15733 1 459 . 1 1 42 42 THR CB C 13 68.892 0.400 . 1 . . . . 42 THR CB . 15733 1 460 . 1 1 42 42 THR CG2 C 13 21.289 0.400 . 1 . . . . 42 THR CG2 . 15733 1 461 . 1 1 42 42 THR N N 15 119.255 0.400 . 1 . . . . 42 THR N . 15733 1 462 . 1 1 43 43 VAL H H 1 9.135 0.020 . 1 . . . . 43 VAL H . 15733 1 463 . 1 1 43 43 VAL HA H 1 5.462 0.020 . 1 . . . . 43 VAL HA . 15733 1 464 . 1 1 43 43 VAL HB H 1 1.707 0.020 . 1 . . . . 43 VAL HB . 15733 1 465 . 1 1 43 43 VAL HG11 H 1 0.681 0.020 . 2 . . . . 43 VAL HG1 . 15733 1 466 . 1 1 43 43 VAL HG12 H 1 0.681 0.020 . 2 . . . . 43 VAL HG1 . 15733 1 467 . 1 1 43 43 VAL HG13 H 1 0.681 0.020 . 2 . . . . 43 VAL HG1 . 15733 1 468 . 1 1 43 43 VAL HG21 H 1 0.677 0.020 . 2 . . . . 43 VAL HG2 . 15733 1 469 . 1 1 43 43 VAL HG22 H 1 0.677 0.020 . 2 . . . . 43 VAL HG2 . 15733 1 470 . 1 1 43 43 VAL HG23 H 1 0.677 0.020 . 2 . . . . 43 VAL HG2 . 15733 1 471 . 1 1 43 43 VAL CA C 13 57.563 0.400 . 1 . . . . 43 VAL CA . 15733 1 472 . 1 1 43 43 VAL CB C 13 34.656 0.400 . 1 . . . . 43 VAL CB . 15733 1 473 . 1 1 43 43 VAL CG1 C 13 21.021 0.400 . 1 . . . . 43 VAL CG1 . 15733 1 474 . 1 1 43 43 VAL CG2 C 13 19.332 0.400 . 1 . . . . 43 VAL CG2 . 15733 1 475 . 1 1 43 43 VAL N N 15 119.617 0.400 . 1 . . . . 43 VAL N . 15733 1 476 . 1 1 44 44 LYS H H 1 9.015 0.020 . 1 . . . . 44 LYS H . 15733 1 477 . 1 1 44 44 LYS HA H 1 5.387 0.020 . 1 . . . . 44 LYS HA . 15733 1 478 . 1 1 44 44 LYS HB2 H 1 1.653 0.020 . 2 . . . . 44 LYS HB2 . 15733 1 479 . 1 1 44 44 LYS HB3 H 1 1.738 0.020 . 2 . . . . 44 LYS HB3 . 15733 1 480 . 1 1 44 44 LYS HD2 H 1 1.648 0.020 . 2 . . . . 44 LYS HD2 . 15733 1 481 . 1 1 44 44 LYS HD3 H 1 1.614 0.020 . 2 . . . . 44 LYS HD3 . 15733 1 482 . 1 1 44 44 LYS HE2 H 1 2.869 0.020 . 2 . . . . 44 LYS HE2 . 15733 1 483 . 1 1 44 44 LYS HE3 H 1 2.933 0.020 . 2 . . . . 44 LYS HE3 . 15733 1 484 . 1 1 44 44 LYS HG2 H 1 1.296 0.020 . 2 . . . . 44 LYS HG2 . 15733 1 485 . 1 1 44 44 LYS HG3 H 1 1.491 0.020 . 2 . . . . 44 LYS HG3 . 15733 1 486 . 1 1 44 44 LYS CA C 13 54.440 0.400 . 1 . . . . 44 LYS CA . 15733 1 487 . 1 1 44 44 LYS CB C 13 36.479 0.400 . 1 . . . . 44 LYS CB . 15733 1 488 . 1 1 44 44 LYS CD C 13 29.515 0.400 . 1 . . . . 44 LYS CD . 15733 1 489 . 1 1 44 44 LYS CE C 13 41.912 0.400 . 1 . . . . 44 LYS CE . 15733 1 490 . 1 1 44 44 LYS CG C 13 24.659 0.400 . 1 . . . . 44 LYS CG . 15733 1 491 . 1 1 44 44 LYS N N 15 120.541 0.400 . 1 . . . . 44 LYS N . 15733 1 492 . 1 1 45 45 TYR H H 1 9.261 0.020 . 1 . . . . 45 TYR H . 15733 1 493 . 1 1 45 45 TYR HA H 1 5.002 0.020 . 1 . . . . 45 TYR HA . 15733 1 494 . 1 1 45 45 TYR HB2 H 1 3.103 0.020 . 2 . . . . 45 TYR HB2 . 15733 1 495 . 1 1 45 45 TYR HB3 H 1 3.154 0.020 . 2 . . . . 45 TYR HB3 . 15733 1 496 . 1 1 45 45 TYR HD1 H 1 7.594 0.020 . 1 . . . . 45 TYR HD1 . 15733 1 497 . 1 1 45 45 TYR HD2 H 1 7.594 0.020 . 1 . . . . 45 TYR HD2 . 15733 1 498 . 1 1 45 45 TYR HE1 H 1 6.824 0.020 . 1 . . . . 45 TYR HE1 . 15733 1 499 . 1 1 45 45 TYR HE2 H 1 6.824 0.020 . 1 . . . . 45 TYR HE2 . 15733 1 500 . 1 1 45 45 TYR CA C 13 56.446 0.400 . 1 . . . . 45 TYR CA . 15733 1 501 . 1 1 45 45 TYR CB C 13 40.363 0.400 . 1 . . . . 45 TYR CB . 15733 1 502 . 1 1 45 45 TYR CD1 C 13 133.412 0.400 . 1 . . . . 45 TYR CD1 . 15733 1 503 . 1 1 45 45 TYR CD2 C 13 133.412 0.400 . 1 . . . . 45 TYR CD2 . 15733 1 504 . 1 1 45 45 TYR CE1 C 13 117.593 0.400 . 1 . . . . 45 TYR CE1 . 15733 1 505 . 1 1 45 45 TYR CE2 C 13 117.593 0.400 . 1 . . . . 45 TYR CE2 . 15733 1 506 . 1 1 45 45 TYR N N 15 127.642 0.400 . 1 . . . . 45 TYR N . 15733 1 507 . 1 1 46 46 LYS H H 1 7.451 0.020 . 1 . . . . 46 LYS H . 15733 1 508 . 1 1 46 46 LYS HA H 1 3.973 0.020 . 1 . . . . 46 LYS HA . 15733 1 509 . 1 1 46 46 LYS HB2 H 1 1.690 0.020 . 2 . . . . 46 LYS HB2 . 15733 1 510 . 1 1 46 46 LYS HB3 H 1 1.647 0.020 . 2 . . . . 46 LYS HB3 . 15733 1 511 . 1 1 46 46 LYS HD2 H 1 1.483 0.020 . 2 . . . . 46 LYS HD2 . 15733 1 512 . 1 1 46 46 LYS HD3 H 1 1.517 0.020 . 2 . . . . 46 LYS HD3 . 15733 1 513 . 1 1 46 46 LYS HE2 H 1 2.880 0.020 . 2 . . . . 46 LYS HE2 . 15733 1 514 . 1 1 46 46 LYS HE3 H 1 2.828 0.020 . 2 . . . . 46 LYS HE3 . 15733 1 515 . 1 1 46 46 LYS HG2 H 1 0.701 0.020 . 2 . . . . 46 LYS HG2 . 15733 1 516 . 1 1 46 46 LYS HG3 H 1 0.982 0.020 . 2 . . . . 46 LYS HG3 . 15733 1 517 . 1 1 46 46 LYS CA C 13 58.834 0.400 . 1 . . . . 46 LYS CA . 15733 1 518 . 1 1 46 46 LYS CB C 13 31.562 0.400 . 1 . . . . 46 LYS CB . 15733 1 519 . 1 1 46 46 LYS CD C 13 29.058 0.400 . 1 . . . . 46 LYS CD . 15733 1 520 . 1 1 46 46 LYS CE C 13 41.935 0.400 . 1 . . . . 46 LYS CE . 15733 1 521 . 1 1 46 46 LYS CG C 13 23.287 0.400 . 1 . . . . 46 LYS CG . 15733 1 522 . 1 1 46 46 LYS N N 15 123.683 0.400 . 1 . . . . 46 LYS N . 15733 1 523 . 1 1 47 47 ASP H H 1 7.071 0.020 . 1 . . . . 47 ASP H . 15733 1 524 . 1 1 47 47 ASP HA H 1 4.518 0.020 . 1 . . . . 47 ASP HA . 15733 1 525 . 1 1 47 47 ASP HB2 H 1 2.512 0.020 . 2 . . . . 47 ASP HB2 . 15733 1 526 . 1 1 47 47 ASP HB3 H 1 3.127 0.020 . 2 . . . . 47 ASP HB3 . 15733 1 527 . 1 1 47 47 ASP CA C 13 53.356 0.400 . 1 . . . . 47 ASP CA . 15733 1 528 . 1 1 47 47 ASP CB C 13 40.236 0.400 . 1 . . . . 47 ASP CB . 15733 1 529 . 1 1 47 47 ASP N N 15 117.516 0.400 . 1 . . . . 47 ASP N . 15733 1 530 . 1 1 48 48 GLY H H 1 8.344 0.020 . 1 . . . . 48 GLY H . 15733 1 531 . 1 1 48 48 GLY HA2 H 1 4.448 0.020 . 2 . . . . 48 GLY HA2 . 15733 1 532 . 1 1 48 48 GLY HA3 H 1 3.489 0.020 . 2 . . . . 48 GLY HA3 . 15733 1 533 . 1 1 48 48 GLY CA C 13 44.804 0.400 . 1 . . . . 48 GLY CA . 15733 1 534 . 1 1 48 48 GLY N N 15 108.759 0.400 . 1 . . . . 48 GLY N . 15733 1 535 . 1 1 49 49 THR H H 1 8.293 0.020 . 1 . . . . 49 THR H . 15733 1 536 . 1 1 49 49 THR HA H 1 3.946 0.020 . 1 . . . . 49 THR HA . 15733 1 537 . 1 1 49 49 THR HB H 1 4.175 0.020 . 1 . . . . 49 THR HB . 15733 1 538 . 1 1 49 49 THR HG21 H 1 1.159 0.020 . 1 . . . . 49 THR HG2 . 15733 1 539 . 1 1 49 49 THR HG22 H 1 1.159 0.020 . 1 . . . . 49 THR HG2 . 15733 1 540 . 1 1 49 49 THR HG23 H 1 1.159 0.020 . 1 . . . . 49 THR HG2 . 15733 1 541 . 1 1 49 49 THR CA C 13 65.224 0.400 . 1 . . . . 49 THR CA . 15733 1 542 . 1 1 49 49 THR CB C 13 69.342 0.400 . 1 . . . . 49 THR CB . 15733 1 543 . 1 1 49 49 THR CG2 C 13 21.522 0.400 . 1 . . . . 49 THR CG2 . 15733 1 544 . 1 1 49 49 THR N N 15 119.066 0.400 . 1 . . . . 49 THR N . 15733 1 545 . 1 1 50 50 GLU H H 1 8.520 0.020 . 1 . . . . 50 GLU H . 15733 1 546 . 1 1 50 50 GLU HA H 1 5.540 0.020 . 1 . . . . 50 GLU HA . 15733 1 547 . 1 1 50 50 GLU HB2 H 1 1.798 0.020 . 2 . . . . 50 GLU HB2 . 15733 1 548 . 1 1 50 50 GLU HB3 H 1 1.851 0.020 . 2 . . . . 50 GLU HB3 . 15733 1 549 . 1 1 50 50 GLU HG2 H 1 2.293 0.020 . 2 . . . . 50 GLU HG2 . 15733 1 550 . 1 1 50 50 GLU HG3 H 1 1.971 0.020 . 2 . . . . 50 GLU HG3 . 15733 1 551 . 1 1 50 50 GLU CA C 13 54.502 0.400 . 1 . . . . 50 GLU CA . 15733 1 552 . 1 1 50 50 GLU CB C 13 32.726 0.400 . 1 . . . . 50 GLU CB . 15733 1 553 . 1 1 50 50 GLU CG C 13 37.458 0.400 . 1 . . . . 50 GLU CG . 15733 1 554 . 1 1 50 50 GLU N N 15 125.669 0.400 . 1 . . . . 50 GLU N . 15733 1 555 . 1 1 51 51 LEU H H 1 8.589 0.020 . 1 . . . . 51 LEU H . 15733 1 556 . 1 1 51 51 LEU HA H 1 4.564 0.020 . 1 . . . . 51 LEU HA . 15733 1 557 . 1 1 51 51 LEU HB2 H 1 1.193 0.020 . 2 . . . . 51 LEU HB2 . 15733 1 558 . 1 1 51 51 LEU HB3 H 1 1.241 0.020 . 2 . . . . 51 LEU HB3 . 15733 1 559 . 1 1 51 51 LEU HD11 H 1 0.176 0.020 . 2 . . . . 51 LEU HD1 . 15733 1 560 . 1 1 51 51 LEU HD12 H 1 0.176 0.020 . 2 . . . . 51 LEU HD1 . 15733 1 561 . 1 1 51 51 LEU HD13 H 1 0.176 0.020 . 2 . . . . 51 LEU HD1 . 15733 1 562 . 1 1 51 51 LEU HD21 H 1 0.019 0.020 . 2 . . . . 51 LEU HD2 . 15733 1 563 . 1 1 51 51 LEU HD22 H 1 0.019 0.020 . 2 . . . . 51 LEU HD2 . 15733 1 564 . 1 1 51 51 LEU HD23 H 1 0.019 0.020 . 2 . . . . 51 LEU HD2 . 15733 1 565 . 1 1 51 51 LEU HG H 1 1.052 0.020 . 1 . . . . 51 LEU HG . 15733 1 566 . 1 1 51 51 LEU CA C 13 53.491 0.400 . 1 . . . . 51 LEU CA . 15733 1 567 . 1 1 51 51 LEU CB C 13 45.642 0.400 . 1 . . . . 51 LEU CB . 15733 1 568 . 1 1 51 51 LEU CD1 C 13 23.802 0.400 . 1 . . . . 51 LEU CD1 . 15733 1 569 . 1 1 51 51 LEU CD2 C 13 24.717 0.400 . 1 . . . . 51 LEU CD2 . 15733 1 570 . 1 1 51 51 LEU CG C 13 26.522 0.400 . 1 . . . . 51 LEU CG . 15733 1 571 . 1 1 51 51 LEU N N 15 122.513 0.400 . 1 . . . . 51 LEU N . 15733 1 572 . 1 1 52 52 ALA H H 1 8.027 0.020 . 1 . . . . 52 ALA H . 15733 1 573 . 1 1 52 52 ALA HA H 1 5.561 0.020 . 1 . . . . 52 ALA HA . 15733 1 574 . 1 1 52 52 ALA HB1 H 1 1.205 0.020 . 1 . . . . 52 ALA HB . 15733 1 575 . 1 1 52 52 ALA HB2 H 1 1.205 0.020 . 1 . . . . 52 ALA HB . 15733 1 576 . 1 1 52 52 ALA HB3 H 1 1.205 0.020 . 1 . . . . 52 ALA HB . 15733 1 577 . 1 1 52 52 ALA CA C 13 50.130 0.400 . 1 . . . . 52 ALA CA . 15733 1 578 . 1 1 52 52 ALA CB C 13 19.947 0.400 . 1 . . . . 52 ALA CB . 15733 1 579 . 1 1 52 52 ALA N N 15 123.854 0.400 . 1 . . . . 52 ALA N . 15733 1 580 . 1 1 53 53 LEU H H 1 9.268 0.020 . 1 . . . . 53 LEU H . 15733 1 581 . 1 1 53 53 LEU HA H 1 4.889 0.020 . 1 . . . . 53 LEU HA . 15733 1 582 . 1 1 53 53 LEU HB2 H 1 1.720 0.020 . 2 . . . . 53 LEU HB2 . 15733 1 583 . 1 1 53 53 LEU HB3 H 1 1.509 0.020 . 2 . . . . 53 LEU HB3 . 15733 1 584 . 1 1 53 53 LEU HD11 H 1 0.894 0.020 . 2 . . . . 53 LEU HD1 . 15733 1 585 . 1 1 53 53 LEU HD12 H 1 0.894 0.020 . 2 . . . . 53 LEU HD1 . 15733 1 586 . 1 1 53 53 LEU HD13 H 1 0.894 0.020 . 2 . . . . 53 LEU HD1 . 15733 1 587 . 1 1 53 53 LEU HD21 H 1 0.691 0.020 . 2 . . . . 53 LEU HD2 . 15733 1 588 . 1 1 53 53 LEU HD22 H 1 0.691 0.020 . 2 . . . . 53 LEU HD2 . 15733 1 589 . 1 1 53 53 LEU HD23 H 1 0.691 0.020 . 2 . . . . 53 LEU HD2 . 15733 1 590 . 1 1 53 53 LEU HG H 1 1.465 0.020 . 1 . . . . 53 LEU HG . 15733 1 591 . 1 1 53 53 LEU CA C 13 53.414 0.400 . 1 . . . . 53 LEU CA . 15733 1 592 . 1 1 53 53 LEU CB C 13 46.542 0.400 . 1 . . . . 53 LEU CB . 15733 1 593 . 1 1 53 53 LEU CD1 C 13 23.567 0.400 . 1 . . . . 53 LEU CD1 . 15733 1 594 . 1 1 53 53 LEU CD2 C 13 26.806 0.400 . 1 . . . . 53 LEU CD2 . 15733 1 595 . 1 1 53 53 LEU CG C 13 27.099 0.400 . 1 . . . . 53 LEU CG . 15733 1 596 . 1 1 53 53 LEU N N 15 123.127 0.400 . 1 . . . . 53 LEU N . 15733 1 597 . 1 1 54 54 LYS H H 1 8.998 0.020 . 1 . . . . 54 LYS H . 15733 1 598 . 1 1 54 54 LYS HA H 1 4.797 0.020 . 1 . . . . 54 LYS HA . 15733 1 599 . 1 1 54 54 LYS HB2 H 1 2.112 0.020 . 2 . . . . 54 LYS HB2 . 15733 1 600 . 1 1 54 54 LYS HB3 H 1 1.857 0.020 . 2 . . . . 54 LYS HB3 . 15733 1 601 . 1 1 54 54 LYS HD2 H 1 1.795 0.020 . 2 . . . . 54 LYS HD2 . 15733 1 602 . 1 1 54 54 LYS HD3 H 1 1.722 0.020 . 2 . . . . 54 LYS HD3 . 15733 1 603 . 1 1 54 54 LYS HE2 H 1 3.004 0.020 . 2 . . . . 54 LYS HE2 . 15733 1 604 . 1 1 54 54 LYS HE3 H 1 3.028 0.020 . 2 . . . . 54 LYS HE3 . 15733 1 605 . 1 1 54 54 LYS HG2 H 1 1.621 0.020 . 2 . . . . 54 LYS HG2 . 15733 1 606 . 1 1 54 54 LYS HG3 H 1 1.582 0.020 . 2 . . . . 54 LYS HG3 . 15733 1 607 . 1 1 54 54 LYS CA C 13 55.791 0.400 . 1 . . . . 54 LYS CA . 15733 1 608 . 1 1 54 54 LYS CB C 13 33.993 0.400 . 1 . . . . 54 LYS CB . 15733 1 609 . 1 1 54 54 LYS CD C 13 29.338 0.400 . 1 . . . . 54 LYS CD . 15733 1 610 . 1 1 54 54 LYS CE C 13 41.553 0.400 . 1 . . . . 54 LYS CE . 15733 1 611 . 1 1 54 54 LYS CG C 13 25.307 0.400 . 1 . . . . 54 LYS CG . 15733 1 612 . 1 1 54 54 LYS N N 15 120.634 0.400 . 1 . . . . 54 LYS N . 15733 1 613 . 1 1 55 55 GLU H H 1 9.738 0.020 . 1 . . . . 55 GLU H . 15733 1 614 . 1 1 55 55 GLU HA H 1 4.036 0.020 . 1 . . . . 55 GLU HA . 15733 1 615 . 1 1 55 55 GLU HB2 H 1 2.621 0.020 . 2 . . . . 55 GLU HB2 . 15733 1 616 . 1 1 55 55 GLU HB3 H 1 2.432 0.020 . 2 . . . . 55 GLU HB3 . 15733 1 617 . 1 1 55 55 GLU HG2 H 1 2.542 0.020 . 2 . . . . 55 GLU HG2 . 15733 1 618 . 1 1 55 55 GLU HG3 H 1 2.451 0.020 . 2 . . . . 55 GLU HG3 . 15733 1 619 . 1 1 55 55 GLU CA C 13 60.916 0.400 . 1 . . . . 55 GLU CA . 15733 1 620 . 1 1 55 55 GLU CB C 13 30.920 0.400 . 1 . . . . 55 GLU CB . 15733 1 621 . 1 1 55 55 GLU CG C 13 38.462 0.400 . 1 . . . . 55 GLU CG . 15733 1 622 . 1 1 55 55 GLU N N 15 121.831 0.400 . 1 . . . . 55 GLU N . 15733 1 623 . 1 1 56 56 SER H H 1 7.933 0.020 . 1 . . . . 56 SER H . 15733 1 624 . 1 1 56 56 SER HA H 1 4.367 0.020 . 1 . . . . 56 SER HA . 15733 1 625 . 1 1 56 56 SER HB2 H 1 4.133 0.020 . 2 . . . . 56 SER HB2 . 15733 1 626 . 1 1 56 56 SER HB3 H 1 3.898 0.020 . 2 . . . . 56 SER HB3 . 15733 1 627 . 1 1 56 56 SER CA C 13 59.717 0.400 . 1 . . . . 56 SER CA . 15733 1 628 . 1 1 56 56 SER CB C 13 62.428 0.400 . 1 . . . . 56 SER CB . 15733 1 629 . 1 1 56 56 SER N N 15 108.440 0.400 . 1 . . . . 56 SER N . 15733 1 630 . 1 1 57 57 ASP H H 1 7.981 0.020 . 1 . . . . 57 ASP H . 15733 1 631 . 1 1 57 57 ASP HA H 1 5.007 0.020 . 1 . . . . 57 ASP HA . 15733 1 632 . 1 1 57 57 ASP HB2 H 1 3.190 0.020 . 2 . . . . 57 ASP HB2 . 15733 1 633 . 1 1 57 57 ASP HB3 H 1 2.916 0.020 . 2 . . . . 57 ASP HB3 . 15733 1 634 . 1 1 57 57 ASP CA C 13 54.874 0.400 . 1 . . . . 57 ASP CA . 15733 1 635 . 1 1 57 57 ASP CB C 13 43.134 0.400 . 1 . . . . 57 ASP CB . 15733 1 636 . 1 1 57 57 ASP N N 15 122.975 0.400 . 1 . . . . 57 ASP N . 15733 1 637 . 1 1 58 58 ILE H H 1 7.509 0.020 . 1 . . . . 58 ILE H . 15733 1 638 . 1 1 58 58 ILE HA H 1 5.014 0.020 . 1 . . . . 58 ILE HA . 15733 1 639 . 1 1 58 58 ILE HB H 1 1.427 0.020 . 1 . . . . 58 ILE HB . 15733 1 640 . 1 1 58 58 ILE HD11 H 1 0.126 0.020 . 1 . . . . 58 ILE HD1 . 15733 1 641 . 1 1 58 58 ILE HD12 H 1 0.126 0.020 . 1 . . . . 58 ILE HD1 . 15733 1 642 . 1 1 58 58 ILE HD13 H 1 0.126 0.020 . 1 . . . . 58 ILE HD1 . 15733 1 643 . 1 1 58 58 ILE HG12 H 1 1.526 0.020 . 2 . . . . 58 ILE HG12 . 15733 1 644 . 1 1 58 58 ILE HG13 H 1 0.414 0.020 . 2 . . . . 58 ILE HG13 . 15733 1 645 . 1 1 58 58 ILE HG21 H 1 -0.112 0.020 . 1 . . . . 58 ILE HG2 . 15733 1 646 . 1 1 58 58 ILE HG22 H 1 -0.112 0.020 . 1 . . . . 58 ILE HG2 . 15733 1 647 . 1 1 58 58 ILE HG23 H 1 -0.112 0.020 . 1 . . . . 58 ILE HG2 . 15733 1 648 . 1 1 58 58 ILE CA C 13 60.201 0.400 . 1 . . . . 58 ILE CA . 15733 1 649 . 1 1 58 58 ILE CB C 13 40.488 0.400 . 1 . . . . 58 ILE CB . 15733 1 650 . 1 1 58 58 ILE CD1 C 13 13.778 0.400 . 1 . . . . 58 ILE CD1 . 15733 1 651 . 1 1 58 58 ILE CG1 C 13 28.319 0.400 . 1 . . . . 58 ILE CG1 . 15733 1 652 . 1 1 58 58 ILE CG2 C 13 17.586 0.400 . 1 . . . . 58 ILE CG2 . 15733 1 653 . 1 1 58 58 ILE N N 15 119.469 0.400 . 1 . . . . 58 ILE N . 15733 1 654 . 1 1 59 59 ARG H H 1 9.165 0.020 . 1 . . . . 59 ARG H . 15733 1 655 . 1 1 59 59 ARG HA H 1 4.648 0.020 . 1 . . . . 59 ARG HA . 15733 1 656 . 1 1 59 59 ARG HB2 H 1 1.321 0.020 . 2 . . . . 59 ARG HB2 . 15733 1 657 . 1 1 59 59 ARG HB3 H 1 1.684 0.020 . 2 . . . . 59 ARG HB3 . 15733 1 658 . 1 1 59 59 ARG HD2 H 1 2.524 0.020 . 2 . . . . 59 ARG HD2 . 15733 1 659 . 1 1 59 59 ARG HD3 H 1 2.631 0.020 . 2 . . . . 59 ARG HD3 . 15733 1 660 . 1 1 59 59 ARG HG2 H 1 1.242 0.020 . 2 . . . . 59 ARG HG2 . 15733 1 661 . 1 1 59 59 ARG HG3 H 1 1.384 0.020 . 2 . . . . 59 ARG HG3 . 15733 1 662 . 1 1 59 59 ARG CA C 13 53.757 0.400 . 1 . . . . 59 ARG CA . 15733 1 663 . 1 1 59 59 ARG CB C 13 34.917 0.400 . 1 . . . . 59 ARG CB . 15733 1 664 . 1 1 59 59 ARG CD C 13 43.181 0.400 . 1 . . . . 59 ARG CD . 15733 1 665 . 1 1 59 59 ARG CG C 13 26.299 0.400 . 1 . . . . 59 ARG CG . 15733 1 666 . 1 1 59 59 ARG N N 15 124.711 0.400 . 1 . . . . 59 ARG N . 15733 1 667 . 1 1 60 60 LEU H H 1 8.419 0.020 . 1 . . . . 60 LEU H . 15733 1 668 . 1 1 60 60 LEU HA H 1 4.480 0.020 . 1 . . . . 60 LEU HA . 15733 1 669 . 1 1 60 60 LEU HB2 H 1 1.642 0.020 . 2 . . . . 60 LEU HB2 . 15733 1 670 . 1 1 60 60 LEU HB3 H 1 1.674 0.020 . 2 . . . . 60 LEU HB3 . 15733 1 671 . 1 1 60 60 LEU HD11 H 1 1.066 0.020 . 2 . . . . 60 LEU HD1 . 15733 1 672 . 1 1 60 60 LEU HD12 H 1 1.066 0.020 . 2 . . . . 60 LEU HD1 . 15733 1 673 . 1 1 60 60 LEU HD13 H 1 1.066 0.020 . 2 . . . . 60 LEU HD1 . 15733 1 674 . 1 1 60 60 LEU HD21 H 1 1.000 0.020 . 2 . . . . 60 LEU HD2 . 15733 1 675 . 1 1 60 60 LEU HD22 H 1 1.000 0.020 . 2 . . . . 60 LEU HD2 . 15733 1 676 . 1 1 60 60 LEU HD23 H 1 1.000 0.020 . 2 . . . . 60 LEU HD2 . 15733 1 677 . 1 1 60 60 LEU HG H 1 1.843 0.020 . 1 . . . . 60 LEU HG . 15733 1 678 . 1 1 60 60 LEU CA C 13 54.536 0.400 . 1 . . . . 60 LEU CA . 15733 1 679 . 1 1 60 60 LEU CB C 13 42.942 0.400 . 1 . . . . 60 LEU CB . 15733 1 680 . 1 1 60 60 LEU CD1 C 13 23.756 0.400 . 1 . . . . 60 LEU CD1 . 15733 1 681 . 1 1 60 60 LEU CD2 C 13 25.450 0.400 . 1 . . . . 60 LEU CD2 . 15733 1 682 . 1 1 60 60 LEU CG C 13 27.236 0.400 . 1 . . . . 60 LEU CG . 15733 1 683 . 1 1 60 60 LEU N N 15 119.433 0.400 . 1 . . . . 60 LEU N . 15733 1 684 . 1 1 61 61 GLN H H 1 9.216 0.020 . 1 . . . . 61 GLN H . 15733 1 685 . 1 1 61 61 GLN HA H 1 4.056 0.020 . 1 . . . . 61 GLN HA . 15733 1 686 . 1 1 61 61 GLN HB2 H 1 2.084 0.020 . 2 . . . . 61 GLN HB2 . 15733 1 687 . 1 1 61 61 GLN HB3 H 1 1.940 0.020 . 2 . . . . 61 GLN HB3 . 15733 1 688 . 1 1 61 61 GLN HE21 H 1 7.262 0.020 . 2 . . . . 61 GLN HE21 . 15733 1 689 . 1 1 61 61 GLN HE22 H 1 6.936 0.020 . 2 . . . . 61 GLN HE22 . 15733 1 690 . 1 1 61 61 GLN HG2 H 1 2.226 0.020 . 2 . . . . 61 GLN HG2 . 15733 1 691 . 1 1 61 61 GLN HG3 H 1 2.264 0.020 . 2 . . . . 61 GLN HG3 . 15733 1 692 . 1 1 61 61 GLN CA C 13 58.401 0.400 . 1 . . . . 61 GLN CA . 15733 1 693 . 1 1 61 61 GLN CB C 13 29.056 0.400 . 1 . . . . 61 GLN CB . 15733 1 694 . 1 1 61 61 GLN CG C 13 34.292 0.400 . 1 . . . . 61 GLN CG . 15733 1 695 . 1 1 61 61 GLN N N 15 122.835 0.400 . 1 . . . . 61 GLN N . 15733 1 696 . 1 1 61 61 GLN NE2 N 15 111.784 0.400 . 1 . . . . 61 GLN NE2 . 15733 1 697 . 1 1 62 62 SER H H 1 8.345 0.020 . 1 . . . . 62 SER H . 15733 1 698 . 1 1 62 62 SER HA H 1 4.269 0.020 . 1 . . . . 62 SER HA . 15733 1 699 . 1 1 62 62 SER HB2 H 1 3.793 0.020 . 2 . . . . 62 SER HB2 . 15733 1 700 . 1 1 62 62 SER HB3 H 1 3.895 0.020 . 2 . . . . 62 SER HB3 . 15733 1 701 . 1 1 62 62 SER CA C 13 58.915 0.400 . 1 . . . . 62 SER CA . 15733 1 702 . 1 1 62 62 SER CB C 13 63.052 0.400 . 1 . . . . 62 SER CB . 15733 1 703 . 1 1 62 62 SER N N 15 114.763 0.400 . 1 . . . . 62 SER N . 15733 1 704 . 1 1 63 63 SER H H 1 7.897 0.020 . 1 . . . . 63 SER H . 15733 1 705 . 1 1 63 63 SER HA H 1 4.345 0.020 . 1 . . . . 63 SER HA . 15733 1 706 . 1 1 63 63 SER HB2 H 1 3.738 0.020 . 2 . . . . 63 SER HB2 . 15733 1 707 . 1 1 63 63 SER HB3 H 1 3.811 0.020 . 2 . . . . 63 SER HB3 . 15733 1 708 . 1 1 63 63 SER CA C 13 58.842 0.400 . 1 . . . . 63 SER CA . 15733 1 709 . 1 1 63 63 SER CB C 13 63.764 0.400 . 1 . . . . 63 SER CB . 15733 1 710 . 1 1 63 63 SER N N 15 116.893 0.400 . 1 . . . . 63 SER N . 15733 1 711 . 1 1 64 64 PHE H H 1 7.853 0.020 . 1 . . . . 64 PHE H . 15733 1 712 . 1 1 64 64 PHE HA H 1 4.469 0.020 . 1 . . . . 64 PHE HA . 15733 1 713 . 1 1 64 64 PHE HB2 H 1 3.059 0.020 . 2 . . . . 64 PHE HB2 . 15733 1 714 . 1 1 64 64 PHE HB3 H 1 2.921 0.020 . 2 . . . . 64 PHE HB3 . 15733 1 715 . 1 1 64 64 PHE HD1 H 1 7.158 0.020 . 1 . . . . 64 PHE HD1 . 15733 1 716 . 1 1 64 64 PHE HD2 H 1 7.158 0.020 . 1 . . . . 64 PHE HD2 . 15733 1 717 . 1 1 64 64 PHE HE1 H 1 7.010 0.020 . 1 . . . . 64 PHE HE1 . 15733 1 718 . 1 1 64 64 PHE HE2 H 1 7.010 0.020 . 1 . . . . 64 PHE HE2 . 15733 1 719 . 1 1 64 64 PHE HZ H 1 6.685 0.020 . 1 . . . . 64 PHE HZ . 15733 1 720 . 1 1 64 64 PHE CA C 13 57.943 0.400 . 1 . . . . 64 PHE CA . 15733 1 721 . 1 1 64 64 PHE CB C 13 39.489 0.400 . 1 . . . . 64 PHE CB . 15733 1 722 . 1 1 64 64 PHE CD1 C 13 132.022 0.400 . 1 . . . . 64 PHE CD1 . 15733 1 723 . 1 1 64 64 PHE CD2 C 13 132.022 0.400 . 1 . . . . 64 PHE CD2 . 15733 1 724 . 1 1 64 64 PHE CE1 C 13 131.221 0.400 . 1 . . . . 64 PHE CE1 . 15733 1 725 . 1 1 64 64 PHE CE2 C 13 131.221 0.400 . 1 . . . . 64 PHE CE2 . 15733 1 726 . 1 1 64 64 PHE CZ C 13 129.209 0.400 . 1 . . . . 64 PHE CZ . 15733 1 727 . 1 1 64 64 PHE N N 15 121.919 0.400 . 1 . . . . 64 PHE N . 15733 1 728 . 1 1 65 65 LYS H H 1 7.960 0.020 . 1 . . . . 65 LYS H . 15733 1 729 . 1 1 65 65 LYS HA H 1 4.243 0.020 . 1 . . . . 65 LYS HA . 15733 1 730 . 1 1 65 65 LYS HB2 H 1 1.649 0.020 . 2 . . . . 65 LYS HB2 . 15733 1 731 . 1 1 65 65 LYS HB3 H 1 1.762 0.020 . 2 . . . . 65 LYS HB3 . 15733 1 732 . 1 1 65 65 LYS HD2 H 1 1.615 0.020 . 2 . . . . 65 LYS HD2 . 15733 1 733 . 1 1 65 65 LYS HD3 H 1 1.585 0.020 . 2 . . . . 65 LYS HD3 . 15733 1 734 . 1 1 65 65 LYS HE2 H 1 2.917 0.020 . 2 . . . . 65 LYS HE2 . 15733 1 735 . 1 1 65 65 LYS HE3 H 1 2.887 0.020 . 2 . . . . 65 LYS HE3 . 15733 1 736 . 1 1 65 65 LYS HG2 H 1 1.286 0.020 . 2 . . . . 65 LYS HG2 . 15733 1 737 . 1 1 65 65 LYS HG3 H 1 1.352 0.020 . 2 . . . . 65 LYS HG3 . 15733 1 738 . 1 1 65 65 LYS CA C 13 56.006 0.400 . 1 . . . . 65 LYS CA . 15733 1 739 . 1 1 65 65 LYS CB C 13 33.175 0.400 . 1 . . . . 65 LYS CB . 15733 1 740 . 1 1 65 65 LYS CD C 13 28.905 0.400 . 1 . . . . 65 LYS CD . 15733 1 741 . 1 1 65 65 LYS CE C 13 41.728 0.400 . 1 . . . . 65 LYS CE . 15733 1 742 . 1 1 65 65 LYS CG C 13 24.467 0.400 . 1 . . . . 65 LYS CG . 15733 1 743 . 1 1 65 65 LYS N N 15 123.475 0.400 . 1 . . . . 65 LYS N . 15733 1 744 . 1 1 66 66 GLN H H 1 7.941 0.020 . 1 . . . . 66 GLN H . 15733 1 745 . 1 1 66 66 GLN HA H 1 4.065 0.020 . 1 . . . . 66 GLN HA . 15733 1 746 . 1 1 66 66 GLN HE21 H 1 7.490 0.020 . 2 . . . . 66 GLN HE21 . 15733 1 747 . 1 1 66 66 GLN HE22 H 1 6.790 0.020 . 2 . . . . 66 GLN HE22 . 15733 1 748 . 1 1 66 66 GLN CA C 13 57.342 0.400 . 1 . . . . 66 GLN CA . 15733 1 749 . 1 1 66 66 GLN CB C 13 30.408 0.400 . 1 . . . . 66 GLN CB . 15733 1 750 . 1 1 66 66 GLN N N 15 127.248 0.400 . 1 . . . . 66 GLN N . 15733 1 751 . 1 1 66 66 GLN NE2 N 15 112.399 0.400 . 1 . . . . 66 GLN NE2 . 15733 1 stop_ save_