data_5867 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5867 _Entry.Title ; Solution Structure of the third SH3 domain of human intersectin 2(KIAA1256) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-07-14 _Entry.Accession_date 2003-07-14 _Entry.Last_release_date 2006-01-11 _Entry.Original_release_date 2006-01-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 S. Suzuki . . . 5867 2 H. Hatanaka . . . 5867 3 S. Koshiba . . . 5867 4 M. Inoue . . . 5867 5 T. Kigawa . . . 5867 6 T. Terada . . . 5867 7 M. Shirouzu . . . 5867 8 S. Yokoyama . . . 5867 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5867 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 289 5867 '15N chemical shifts' 67 5867 '1H chemical shifts' 392 5867 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 . . 2006-01-11 2003-07-14 original author . 5867 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1UHF 'BMRB Entry Tracking System' 5867 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5867 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution Structure of the third SH3 domain of human intersectin 2(KIAA1256)' _Citation.Status submitted _Citation.Type journal _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 . 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 S. Suzuki . . . 5867 1 2 H. Hatanaka . . . 5867 1 3 S. Koshiba . . . 5867 1 4 M. Inoue . . . 5867 1 5 T. Kigawa . . . 5867 1 6 T. Terada . . . 5867 1 7 M. Shirouzu . . . 5867 1 8 S. Yokoyama . . . 5867 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'BETA BARREL' 5867 1 'SH3 DOMAIN' 5867 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_INTERSECTIN_2 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_INTERSECTIN_2 _Assembly.Entry_ID 5867 _Assembly.ID 1 _Assembly.Name 'INTERSECTIN 2' _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 'not present' _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 5867 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 'INTERSECTIN 2' 1 $INTERSECTIN_2 . . . native . . . . . 5867 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1UHF . . . . . . 5867 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'INTERSECTIN 2' abbreviation 5867 1 'INTERSECTIN 2' system 5867 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_INTERSECTIN_2 _Entity.Sf_category entity _Entity.Sf_framecode INTERSECTIN_2 _Entity.Entry_ID 5867 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'INTERSECTIN 2' _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 ; GSSGSSGGEEYIALYPYSSV EPGDLTFTEGEEILVTQKDG EWWTGSIGDRSGIFPSNYVK PKDSGPSSG ; _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1UHF . "Solution Structure Of The Third Sh3 Domain Of Human Intersectin 2(Kiaa1256)" . . . . . 100.00 69 100.00 100.00 6.45e-39 . . . . 5867 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'INTERSECTIN 2' abbreviation 5867 1 'INTERSECTIN 2' common 5867 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 . 5867 1 2 . SER . 5867 1 3 . SER . 5867 1 4 . GLY . 5867 1 5 . SER . 5867 1 6 . SER . 5867 1 7 . GLY . 5867 1 8 . GLY . 5867 1 9 . GLU . 5867 1 10 . GLU . 5867 1 11 . TYR . 5867 1 12 . ILE . 5867 1 13 . ALA . 5867 1 14 . LEU . 5867 1 15 . TYR . 5867 1 16 . PRO . 5867 1 17 . TYR . 5867 1 18 . SER . 5867 1 19 . SER . 5867 1 20 . VAL . 5867 1 21 . GLU . 5867 1 22 . PRO . 5867 1 23 . GLY . 5867 1 24 . ASP . 5867 1 25 . LEU . 5867 1 26 . THR . 5867 1 27 . PHE . 5867 1 28 . THR . 5867 1 29 . GLU . 5867 1 30 . GLY . 5867 1 31 . GLU . 5867 1 32 . GLU . 5867 1 33 . ILE . 5867 1 34 . LEU . 5867 1 35 . VAL . 5867 1 36 . THR . 5867 1 37 . GLN . 5867 1 38 . LYS . 5867 1 39 . ASP . 5867 1 40 . GLY . 5867 1 41 . GLU . 5867 1 42 . TRP . 5867 1 43 . TRP . 5867 1 44 . THR . 5867 1 45 . GLY . 5867 1 46 . SER . 5867 1 47 . ILE . 5867 1 48 . GLY . 5867 1 49 . ASP . 5867 1 50 . ARG . 5867 1 51 . SER . 5867 1 52 . GLY . 5867 1 53 . ILE . 5867 1 54 . PHE . 5867 1 55 . PRO . 5867 1 56 . SER . 5867 1 57 . ASN . 5867 1 58 . TYR . 5867 1 59 . VAL . 5867 1 60 . LYS . 5867 1 61 . PRO . 5867 1 62 . LYS . 5867 1 63 . ASP . 5867 1 64 . SER . 5867 1 65 . GLY . 5867 1 66 . PRO . 5867 1 67 . SER . 5867 1 68 . SER . 5867 1 69 . GLY . 5867 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 5867 1 . SER 2 2 5867 1 . SER 3 3 5867 1 . GLY 4 4 5867 1 . SER 5 5 5867 1 . SER 6 6 5867 1 . GLY 7 7 5867 1 . GLY 8 8 5867 1 . GLU 9 9 5867 1 . GLU 10 10 5867 1 . TYR 11 11 5867 1 . ILE 12 12 5867 1 . ALA 13 13 5867 1 . LEU 14 14 5867 1 . TYR 15 15 5867 1 . PRO 16 16 5867 1 . TYR 17 17 5867 1 . SER 18 18 5867 1 . SER 19 19 5867 1 . VAL 20 20 5867 1 . GLU 21 21 5867 1 . PRO 22 22 5867 1 . GLY 23 23 5867 1 . ASP 24 24 5867 1 . LEU 25 25 5867 1 . THR 26 26 5867 1 . PHE 27 27 5867 1 . THR 28 28 5867 1 . GLU 29 29 5867 1 . GLY 30 30 5867 1 . GLU 31 31 5867 1 . GLU 32 32 5867 1 . ILE 33 33 5867 1 . LEU 34 34 5867 1 . VAL 35 35 5867 1 . THR 36 36 5867 1 . GLN 37 37 5867 1 . LYS 38 38 5867 1 . ASP 39 39 5867 1 . GLY 40 40 5867 1 . GLU 41 41 5867 1 . TRP 42 42 5867 1 . TRP 43 43 5867 1 . THR 44 44 5867 1 . GLY 45 45 5867 1 . SER 46 46 5867 1 . ILE 47 47 5867 1 . GLY 48 48 5867 1 . ASP 49 49 5867 1 . ARG 50 50 5867 1 . SER 51 51 5867 1 . GLY 52 52 5867 1 . ILE 53 53 5867 1 . PHE 54 54 5867 1 . PRO 55 55 5867 1 . SER 56 56 5867 1 . ASN 57 57 5867 1 . TYR 58 58 5867 1 . VAL 59 59 5867 1 . LYS 60 60 5867 1 . PRO 61 61 5867 1 . LYS 62 62 5867 1 . ASP 63 63 5867 1 . SER 64 64 5867 1 . GLY 65 65 5867 1 . PRO 66 66 5867 1 . SER 67 67 5867 1 . SER 68 68 5867 1 . GLY 69 69 5867 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 5867 _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 $INTERSECTIN_2 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5867 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 5867 _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 $INTERSECTIN_2 . 'cell free synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5867 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5867 _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 'INTERSECTIN 2' '[U-13C; U-15N]' . . 1 $INTERSECTIN_2 . . 6.6 . . mM . . . . 5867 1 2 'phosphate buffer Na' . . . . . . . 20 . . mM . . . . 5867 1 3 NaCl . . . . . . . 100 . . mM . . . . 5867 1 4 NaN3 . . . . . . . 0.02 . . % . . . . 5867 1 5 H2O . . . . . . . 90 . . % . . . . 5867 1 6 D2O . . . . . . . 10 . . % . . . . 5867 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5867 _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' 0.12 . mM 5867 1 pH 6.0 . pH 5867 1 pressure 1 . atm 5867 1 temperature 298 . K 5867 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 5867 _Software.ID 1 _Software.Name xwinnmr _Software.Version 2.6 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 5867 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5867 _Software.ID 2 _Software.Name NMRPipe _Software.Version 20020425 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5867 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 5867 _Software.ID 3 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details 'Johnson, B.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5867 3 stop_ save_ save_Kujira _Software.Sf_category software _Software.Sf_framecode Kujira _Software.Entry_ID 5867 _Software.ID 4 _Software.Name Kujira _Software.Version 0.771 _Software.Details 'Kobayashi, N.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5867 4 stop_ save_ save_Olivia _Software.Sf_category software _Software.Sf_framecode Olivia _Software.Entry_ID 5867 _Software.ID 5 _Software.Name Olivia _Software.Version 1.9.5 _Software.Details 'Yokochi, M.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5867 5 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 5867 _Software.ID 6 _Software.Name CYANA _Software.Version 1.0.7 _Software.Details 'Guentert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 5867 6 'structure solution' 5867 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5867 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5867 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 800 . . . 5867 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 5867 _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 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5867 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5867 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 5867 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated 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 . _NMR_spec_expt.Software_label . _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 5867 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated 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 . _NMR_spec_expt.Software_label . _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 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5867 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details ; C13 and N15 chemical shifts were referenced from H1 reference according to the software NMRpipe. ; 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 water . . . . . ppm . external indirect . external . . . . . . . . 5867 1 H 1 water . . . . . ppm 4.773 internal direct . internal . . . . . . . . 5867 1 N 15 water . . . . . ppm . external indirect . external . . . . . . . . 5867 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5867 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5867 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 CA C 13 56.037 0.000 . 1 . . . . . . . . 5867 1 2 . 1 1 2 2 SER HA H 1 4.468 0.000 . 1 . . . . . . . . 5867 1 3 . 1 1 2 2 SER C C 13 172.542 0.000 . 1 . . . . . . . . 5867 1 4 . 1 1 2 2 SER CB C 13 61.640 0.000 . 1 . . . . . . . . 5867 1 5 . 1 1 2 2 SER HB2 H 1 3.840 0.000 . 1 . . . . . . . . 5867 1 6 . 1 1 3 3 SER H H 1 8.384 0.000 . 1 . . . . . . . . 5867 1 7 . 1 1 3 3 SER N N 15 117.535 0.000 . 1 . . . . . . . . 5867 1 8 . 1 1 3 3 SER CA C 13 56.229 0.000 . 1 . . . . . . . . 5867 1 9 . 1 1 3 3 SER HA H 1 4.455 0.000 . 1 . . . . . . . . 5867 1 10 . 1 1 3 3 SER C C 13 172.737 0.000 . 1 . . . . . . . . 5867 1 11 . 1 1 3 3 SER CB C 13 61.664 0.000 . 1 . . . . . . . . 5867 1 12 . 1 1 3 3 SER HB2 H 1 3.855 0.000 . 1 . . . . . . . . 5867 1 13 . 1 1 4 4 GLY H H 1 8.399 0.000 . 1 . . . . . . . . 5867 1 14 . 1 1 4 4 GLY N N 15 110.607 0.000 . 1 . . . . . . . . 5867 1 15 . 1 1 4 4 GLY CA C 13 43.090 0.000 . 1 . . . . . . . . 5867 1 16 . 1 1 4 4 GLY C C 13 172.015 0.000 . 1 . . . . . . . . 5867 1 17 . 1 1 4 4 GLY HA2 H 1 3.970 0.000 . 1 . . . . . . . . 5867 1 18 . 1 1 5 5 SER H H 1 8.214 0.000 . 1 . . . . . . . . 5867 1 19 . 1 1 5 5 SER N N 15 115.458 0.000 . 1 . . . . . . . . 5867 1 20 . 1 1 5 5 SER CA C 13 56.066 0.000 . 1 . . . . . . . . 5867 1 21 . 1 1 5 5 SER HA H 1 4.462 0.000 . 1 . . . . . . . . 5867 1 22 . 1 1 5 5 SER C C 13 172.494 0.000 . 1 . . . . . . . . 5867 1 23 . 1 1 5 5 SER CB C 13 61.664 0.000 . 1 . . . . . . . . 5867 1 24 . 1 1 5 5 SER HB2 H 1 3.847 0.000 . 1 . . . . . . . . 5867 1 25 . 1 1 5 5 SER HB3 H 1 3.781 0.000 . 1 . . . . . . . . 5867 1 26 . 1 1 6 6 SER H H 1 8.510 0.000 . 1 . . . . . . . . 5867 1 27 . 1 1 6 6 SER N N 15 117.699 0.000 . 1 . . . . . . . . 5867 1 28 . 1 1 6 6 SER CA C 13 56.245 0.000 . 1 . . . . . . . . 5867 1 29 . 1 1 6 6 SER HA H 1 4.448 0.000 . 1 . . . . . . . . 5867 1 30 . 1 1 6 6 SER C C 13 172.631 0.000 . 1 . . . . . . . . 5867 1 31 . 1 1 6 6 SER CB C 13 61.590 0.000 . 1 . . . . . . . . 5867 1 32 . 1 1 6 6 SER HB2 H 1 3.848 0.000 . 1 . . . . . . . . 5867 1 33 . 1 1 7 7 GLY H H 1 8.328 0.000 . 1 . . . . . . . . 5867 1 34 . 1 1 7 7 GLY N N 15 110.146 0.000 . 1 . . . . . . . . 5867 1 35 . 1 1 7 7 GLY CA C 13 43.001 0.000 . 1 . . . . . . . . 5867 1 36 . 1 1 7 7 GLY C C 13 171.525 0.000 . 1 . . . . . . . . 5867 1 37 . 1 1 7 7 GLY HA2 H 1 3.930 0.000 . 1 . . . . . . . . 5867 1 38 . 1 1 8 8 GLY H H 1 7.968 0.000 . 1 . . . . . . . . 5867 1 39 . 1 1 8 8 GLY N N 15 107.091 0.000 . 1 . . . . . . . . 5867 1 40 . 1 1 8 8 GLY CA C 13 42.542 0.000 . 1 . . . . . . . . 5867 1 41 . 1 1 8 8 GLY HA3 H 1 3.811 0.000 . 1 . . . . . . . . 5867 1 42 . 1 1 8 8 GLY C C 13 170.546 0.000 . 1 . . . . . . . . 5867 1 43 . 1 1 8 8 GLY HA2 H 1 4.013 0.000 . 1 . . . . . . . . 5867 1 44 . 1 1 9 9 GLU H H 1 8.297 0.000 . 1 . . . . . . . . 5867 1 45 . 1 1 9 9 GLU N N 15 119.487 0.000 . 1 . . . . . . . . 5867 1 46 . 1 1 9 9 GLU CA C 13 52.906 0.000 . 1 . . . . . . . . 5867 1 47 . 1 1 9 9 GLU HA H 1 4.629 0.000 . 1 . . . . . . . . 5867 1 48 . 1 1 9 9 GLU C C 13 173.716 0.000 . 1 . . . . . . . . 5867 1 49 . 1 1 9 9 GLU CB C 13 31.836 0.000 . 1 . . . . . . . . 5867 1 50 . 1 1 9 9 GLU HB2 H 1 2.139 0.000 . 1 . . . . . . . . 5867 1 51 . 1 1 9 9 GLU HB3 H 1 1.905 0.000 . 1 . . . . . . . . 5867 1 52 . 1 1 9 9 GLU CG C 13 34.093 0.000 . 1 . . . . . . . . 5867 1 53 . 1 1 9 9 GLU HG2 H 1 2.221 0.000 . 1 . . . . . . . . 5867 1 54 . 1 1 10 10 GLU H H 1 8.749 0.000 . 1 . . . . . . . . 5867 1 55 . 1 1 10 10 GLU N N 15 122.363 0.000 . 1 . . . . . . . . 5867 1 56 . 1 1 10 10 GLU CA C 13 55.273 0.000 . 1 . . . . . . . . 5867 1 57 . 1 1 10 10 GLU HA H 1 4.747 0.000 . 1 . . . . . . . . 5867 1 58 . 1 1 10 10 GLU C C 13 173.419 0.000 . 1 . . . . . . . . 5867 1 59 . 1 1 10 10 GLU CB C 13 28.417 0.000 . 1 . . . . . . . . 5867 1 60 . 1 1 10 10 GLU HB2 H 1 1.943 0.000 . 1 . . . . . . . . 5867 1 61 . 1 1 10 10 GLU HB3 H 1 1.701 0.000 . 1 . . . . . . . . 5867 1 62 . 1 1 10 10 GLU CG C 13 34.091 0.000 . 1 . . . . . . . . 5867 1 63 . 1 1 10 10 GLU HG2 H 1 2.202 0.000 . 1 . . . . . . . . 5867 1 64 . 1 1 11 11 TYR H H 1 9.450 0.000 . 1 . . . . . . . . 5867 1 65 . 1 1 11 11 TYR N N 15 126.055 0.000 . 1 . . . . . . . . 5867 1 66 . 1 1 11 11 TYR CA C 13 54.872 0.000 . 1 . . . . . . . . 5867 1 67 . 1 1 11 11 TYR HA H 1 4.844 0.000 . 1 . . . . . . . . 5867 1 68 . 1 1 11 11 TYR C C 13 171.347 0.000 . 1 . . . . . . . . 5867 1 69 . 1 1 11 11 TYR CB C 13 40.367 0.000 . 1 . . . . . . . . 5867 1 70 . 1 1 11 11 TYR HB2 H 1 2.741 0.000 . 1 . . . . . . . . 5867 1 71 . 1 1 11 11 TYR HB3 H 1 2.677 0.000 . 1 . . . . . . . . 5867 1 72 . 1 1 11 11 TYR CD1 C 13 131.251 0.000 . 1 . . . . . . . . 5867 1 73 . 1 1 11 11 TYR HD1 H 1 6.889 0.000 . 2 . . . . . . . . 5867 1 74 . 1 1 11 11 TYR CD2 C 13 131.251 0.000 . 1 . . . . . . . . 5867 1 75 . 1 1 11 11 TYR CE1 C 13 115.300 0.000 . 1 . . . . . . . . 5867 1 76 . 1 1 11 11 TYR HE1 H 1 6.810 0.000 . 2 . . . . . . . . 5867 1 77 . 1 1 11 11 TYR CE2 C 13 115.300 0.000 . 1 . . . . . . . . 5867 1 78 . 1 1 12 12 ILE H H 1 9.400 0.000 . 1 . . . . . . . . 5867 1 79 . 1 1 12 12 ILE N N 15 118.884 0.000 . 1 . . . . . . . . 5867 1 80 . 1 1 12 12 ILE CA C 13 55.940 0.000 . 1 . . . . . . . . 5867 1 81 . 1 1 12 12 ILE HA H 1 4.739 0.000 . 1 . . . . . . . . 5867 1 82 . 1 1 12 12 ILE C C 13 173.499 0.000 . 1 . . . . . . . . 5867 1 83 . 1 1 12 12 ILE CB C 13 38.500 0.000 . 1 . . . . . . . . 5867 1 84 . 1 1 12 12 ILE HB H 1 1.452 0.000 . 1 . . . . . . . . 5867 1 85 . 1 1 12 12 ILE CG2 C 13 14.553 0.000 . 1 . . . . . . . . 5867 1 86 . 1 1 12 12 ILE CG1 C 13 24.900 0.000 . 1 . . . . . . . . 5867 1 87 . 1 1 12 12 ILE HG12 H 1 0.965 0.000 . 1 . . . . . . . . 5867 1 88 . 1 1 12 12 ILE HG13 H 1 1.289 0.000 . 1 . . . . . . . . 5867 1 89 . 1 1 12 12 ILE CD1 C 13 9.925 0.000 . 1 . . . . . . . . 5867 1 90 . 1 1 12 12 ILE HD11 H 1 0.701 0.000 . 1 . . . . . . . . 5867 1 91 . 1 1 12 12 ILE HD12 H 1 0.701 0.000 . 1 . . . . . . . . 5867 1 92 . 1 1 12 12 ILE HD13 H 1 0.701 0.000 . 1 . . . . . . . . 5867 1 93 . 1 1 12 12 ILE HG21 H 1 0.676 0.000 . 1 . . . . . . . . 5867 1 94 . 1 1 12 12 ILE HG22 H 1 0.676 0.000 . 1 . . . . . . . . 5867 1 95 . 1 1 12 12 ILE HG23 H 1 0.676 0.000 . 1 . . . . . . . . 5867 1 96 . 1 1 13 13 ALA H H 1 8.377 0.000 . 1 . . . . . . . . 5867 1 97 . 1 1 13 13 ALA N N 15 126.332 0.000 . 1 . . . . . . . . 5867 1 98 . 1 1 13 13 ALA CA C 13 50.422 0.000 . 1 . . . . . . . . 5867 1 99 . 1 1 13 13 ALA HA H 1 4.309 0.000 . 1 . . . . . . . . 5867 1 100 . 1 1 13 13 ALA C C 13 176.682 0.000 . 1 . . . . . . . . 5867 1 101 . 1 1 13 13 ALA CB C 13 18.492 0.000 . 1 . . . . . . . . 5867 1 102 . 1 1 13 13 ALA HB1 H 1 1.275 0.000 . 1 . . . . . . . . 5867 1 103 . 1 1 13 13 ALA HB2 H 1 1.275 0.000 . 1 . . . . . . . . 5867 1 104 . 1 1 13 13 ALA HB3 H 1 1.275 0.000 . 1 . . . . . . . . 5867 1 105 . 1 1 14 14 LEU H H 1 9.452 0.000 . 1 . . . . . . . . 5867 1 106 . 1 1 14 14 LEU N N 15 127.304 0.000 . 1 . . . . . . . . 5867 1 107 . 1 1 14 14 LEU CA C 13 53.516 0.000 . 1 . . . . . . . . 5867 1 108 . 1 1 14 14 LEU HA H 1 3.918 0.000 . 1 . . . . . . . . 5867 1 109 . 1 1 14 14 LEU C C 13 173.018 0.000 . 1 . . . . . . . . 5867 1 110 . 1 1 14 14 LEU CB C 13 41.458 0.000 . 1 . . . . . . . . 5867 1 111 . 1 1 14 14 LEU HB2 H 1 0.840 0.000 . 1 . . . . . . . . 5867 1 112 . 1 1 14 14 LEU HB3 H 1 0.491 0.000 . 1 . . . . . . . . 5867 1 113 . 1 1 14 14 LEU CG C 13 24.484 0.000 . 1 . . . . . . . . 5867 1 114 . 1 1 14 14 LEU CD1 C 13 20.656 0.000 . 1 . . . . . . . . 5867 1 115 . 1 1 14 14 LEU HD11 H 1 0.617 0.000 . 1 . . . . . . . . 5867 1 116 . 1 1 14 14 LEU HD12 H 1 0.617 0.000 . 1 . . . . . . . . 5867 1 117 . 1 1 14 14 LEU HD13 H 1 0.617 0.000 . 1 . . . . . . . . 5867 1 118 . 1 1 14 14 LEU CD2 C 13 22.977 0.000 . 1 . . . . . . . . 5867 1 119 . 1 1 14 14 LEU HD21 H 1 0.609 0.000 . 1 . . . . . . . . 5867 1 120 . 1 1 14 14 LEU HD22 H 1 0.609 0.000 . 1 . . . . . . . . 5867 1 121 . 1 1 14 14 LEU HD23 H 1 0.609 0.000 . 1 . . . . . . . . 5867 1 122 . 1 1 14 14 LEU HG H 1 1.152 0.000 . 1 . . . . . . . . 5867 1 123 . 1 1 15 15 TYR H H 1 7.227 0.000 . 1 . . . . . . . . 5867 1 124 . 1 1 15 15 TYR N N 15 114.126 0.000 . 1 . . . . . . . . 5867 1 125 . 1 1 15 15 TYR CA C 13 50.224 0.000 . 1 . . . . . . . . 5867 1 126 . 1 1 15 15 TYR HA H 1 4.992 0.000 . 1 . . . . . . . . 5867 1 127 . 1 1 15 15 TYR C C 13 169.682 0.000 . 1 . . . . . . . . 5867 1 128 . 1 1 15 15 TYR CB C 13 37.879 0.000 . 1 . . . . . . . . 5867 1 129 . 1 1 15 15 TYR HB2 H 1 2.293 0.000 . 1 . . . . . . . . 5867 1 130 . 1 1 15 15 TYR HB3 H 1 3.233 0.000 . 1 . . . . . . . . 5867 1 131 . 1 1 15 15 TYR CD1 C 13 131.689 0.000 . 1 . . . . . . . . 5867 1 132 . 1 1 15 15 TYR HD1 H 1 6.661 0.000 . 2 . . . . . . . . 5867 1 133 . 1 1 15 15 TYR CD2 C 13 131.689 0.000 . 1 . . . . . . . . 5867 1 134 . 1 1 15 15 TYR CE1 C 13 115.500 0.000 . 1 . . . . . . . . 5867 1 135 . 1 1 15 15 TYR HE1 H 1 6.600 0.000 . 2 . . . . . . . . 5867 1 136 . 1 1 15 15 TYR CE2 C 13 115.500 0.000 . 1 . . . . . . . . 5867 1 137 . 1 1 16 16 PRO CA C 13 60.116 0.000 . 1 . . . . . . . . 5867 1 138 . 1 1 16 16 PRO HA H 1 4.571 0.000 . 1 . . . . . . . . 5867 1 139 . 1 1 16 16 PRO C C 13 173.357 0.000 . 1 . . . . . . . . 5867 1 140 . 1 1 16 16 PRO CB C 13 30.104 0.000 . 1 . . . . . . . . 5867 1 141 . 1 1 16 16 PRO HB2 H 1 2.352 0.000 . 1 . . . . . . . . 5867 1 142 . 1 1 16 16 PRO HB3 H 1 2.009 0.000 . 1 . . . . . . . . 5867 1 143 . 1 1 16 16 PRO CG C 13 24.858 0.000 . 1 . . . . . . . . 5867 1 144 . 1 1 16 16 PRO HG2 H 1 2.180 0.000 . 1 . . . . . . . . 5867 1 145 . 1 1 16 16 PRO HG3 H 1 2.212 0.000 . 1 . . . . . . . . 5867 1 146 . 1 1 16 16 PRO CD C 13 47.659 0.000 . 1 . . . . . . . . 5867 1 147 . 1 1 16 16 PRO HD2 H 1 3.830 0.000 . 1 . . . . . . . . 5867 1 148 . 1 1 16 16 PRO HD3 H 1 3.884 0.000 . 1 . . . . . . . . 5867 1 149 . 1 1 17 17 TYR H H 1 7.915 0.000 . 1 . . . . . . . . 5867 1 150 . 1 1 17 17 TYR N N 15 122.201 0.000 . 1 . . . . . . . . 5867 1 151 . 1 1 17 17 TYR CA C 13 54.850 0.000 . 1 . . . . . . . . 5867 1 152 . 1 1 17 17 TYR HA H 1 4.716 0.000 . 1 . . . . . . . . 5867 1 153 . 1 1 17 17 TYR C C 13 171.369 0.000 . 1 . . . . . . . . 5867 1 154 . 1 1 17 17 TYR CB C 13 38.489 0.000 . 1 . . . . . . . . 5867 1 155 . 1 1 17 17 TYR HB2 H 1 2.174 0.000 . 1 . . . . . . . . 5867 1 156 . 1 1 17 17 TYR HB3 H 1 1.191 0.000 . 1 . . . . . . . . 5867 1 157 . 1 1 17 17 TYR CD1 C 13 131.200 0.000 . 1 . . . . . . . . 5867 1 158 . 1 1 17 17 TYR HD1 H 1 7.041 0.000 . 2 . . . . . . . . 5867 1 159 . 1 1 17 17 TYR CD2 C 13 131.200 0.000 . 1 . . . . . . . . 5867 1 160 . 1 1 17 17 TYR CE1 C 13 115.500 0.000 . 1 . . . . . . . . 5867 1 161 . 1 1 17 17 TYR HE1 H 1 6.750 0.000 . 2 . . . . . . . . 5867 1 162 . 1 1 17 17 TYR CE2 C 13 115.500 0.000 . 1 . . . . . . . . 5867 1 163 . 1 1 18 18 SER H H 1 7.707 0.000 . 1 . . . . . . . . 5867 1 164 . 1 1 18 18 SER N N 15 120.692 0.000 . 1 . . . . . . . . 5867 1 165 . 1 1 18 18 SER CA C 13 53.786 0.000 . 1 . . . . . . . . 5867 1 166 . 1 1 18 18 SER HA H 1 4.317 0.000 . 1 . . . . . . . . 5867 1 167 . 1 1 18 18 SER C C 13 169.948 0.000 . 1 . . . . . . . . 5867 1 168 . 1 1 18 18 SER CB C 13 61.929 0.000 . 1 . . . . . . . . 5867 1 169 . 1 1 18 18 SER HB2 H 1 3.562 0.000 . 1 . . . . . . . . 5867 1 170 . 1 1 18 18 SER HB3 H 1 3.507 0.000 . 1 . . . . . . . . 5867 1 171 . 1 1 19 19 SER H H 1 6.876 0.000 . 1 . . . . . . . . 5867 1 172 . 1 1 19 19 SER N N 15 115.308 0.000 . 1 . . . . . . . . 5867 1 173 . 1 1 19 19 SER CA C 13 53.786 0.000 . 1 . . . . . . . . 5867 1 174 . 1 1 19 19 SER HA H 1 4.329 0.000 . 1 . . . . . . . . 5867 1 175 . 1 1 19 19 SER C C 13 172.249 0.000 . 1 . . . . . . . . 5867 1 176 . 1 1 19 19 SER CB C 13 62.758 0.000 . 1 . . . . . . . . 5867 1 177 . 1 1 19 19 SER HB2 H 1 3.436 0.000 . 1 . . . . . . . . 5867 1 178 . 1 1 19 19 SER HB3 H 1 3.085 0.000 . 1 . . . . . . . . 5867 1 179 . 1 1 20 20 VAL H H 1 8.382 0.000 . 1 . . . . . . . . 5867 1 180 . 1 1 20 20 VAL N N 15 117.554 0.000 . 1 . . . . . . . . 5867 1 181 . 1 1 20 20 VAL CA C 13 58.600 0.000 . 1 . . . . . . . . 5867 1 182 . 1 1 20 20 VAL HA H 1 4.406 0.000 . 1 . . . . . . . . 5867 1 183 . 1 1 20 20 VAL C C 13 174.355 0.000 . 1 . . . . . . . . 5867 1 184 . 1 1 20 20 VAL CB C 13 29.074 0.000 . 1 . . . . . . . . 5867 1 185 . 1 1 20 20 VAL HB H 1 2.375 0.000 . 1 . . . . . . . . 5867 1 186 . 1 1 20 20 VAL CG1 C 13 18.773 0.000 . 1 . . . . . . . . 5867 1 187 . 1 1 20 20 VAL HG11 H 1 0.852 0.000 . 1 . . . . . . . . 5867 1 188 . 1 1 20 20 VAL HG12 H 1 0.852 0.000 . 1 . . . . . . . . 5867 1 189 . 1 1 20 20 VAL HG13 H 1 0.852 0.000 . 1 . . . . . . . . 5867 1 190 . 1 1 20 20 VAL CG2 C 13 16.147 0.000 . 1 . . . . . . . . 5867 1 191 . 1 1 20 20 VAL HG21 H 1 0.758 0.000 . 1 . . . . . . . . 5867 1 192 . 1 1 20 20 VAL HG22 H 1 0.758 0.000 . 1 . . . . . . . . 5867 1 193 . 1 1 20 20 VAL HG23 H 1 0.758 0.000 . 1 . . . . . . . . 5867 1 194 . 1 1 21 21 GLU H H 1 8.348 0.000 . 1 . . . . . . . . 5867 1 195 . 1 1 21 21 GLU N N 15 125.807 0.000 . 1 . . . . . . . . 5867 1 196 . 1 1 21 21 GLU CA C 13 51.569 0.000 . 1 . . . . . . . . 5867 1 197 . 1 1 21 21 GLU HA H 1 4.458 0.000 . 1 . . . . . . . . 5867 1 198 . 1 1 21 21 GLU C C 13 173.562 0.000 . 1 . . . . . . . . 5867 1 199 . 1 1 21 21 GLU CB C 13 26.651 0.000 . 1 . . . . . . . . 5867 1 200 . 1 1 21 21 GLU HB2 H 1 1.628 0.000 . 1 . . . . . . . . 5867 1 201 . 1 1 21 21 GLU HB3 H 1 1.831 0.000 . 1 . . . . . . . . 5867 1 202 . 1 1 21 21 GLU CG C 13 32.528 0.000 . 1 . . . . . . . . 5867 1 203 . 1 1 21 21 GLU HG2 H 1 2.228 0.000 . 1 . . . . . . . . 5867 1 204 . 1 1 21 21 GLU HG3 H 1 2.162 0.000 . 1 . . . . . . . . 5867 1 205 . 1 1 22 22 PRO CA C 13 61.893 0.000 . 1 . . . . . . . . 5867 1 206 . 1 1 22 22 PRO HA H 1 4.326 0.000 . 1 . . . . . . . . 5867 1 207 . 1 1 22 22 PRO C C 13 175.644 0.000 . 1 . . . . . . . . 5867 1 208 . 1 1 22 22 PRO CB C 13 29.496 0.000 . 1 . . . . . . . . 5867 1 209 . 1 1 22 22 PRO HB2 H 1 2.290 0.000 . 1 . . . . . . . . 5867 1 210 . 1 1 22 22 PRO HB3 H 1 1.899 0.000 . 1 . . . . . . . . 5867 1 211 . 1 1 22 22 PRO CG C 13 25.263 0.000 . 1 . . . . . . . . 5867 1 212 . 1 1 22 22 PRO HG2 H 1 1.974 0.000 . 1 . . . . . . . . 5867 1 213 . 1 1 22 22 PRO HG3 H 1 2.064 0.000 . 1 . . . . . . . . 5867 1 214 . 1 1 22 22 PRO CD C 13 48.706 0.000 . 1 . . . . . . . . 5867 1 215 . 1 1 22 22 PRO HD2 H 1 3.700 0.000 . 1 . . . . . . . . 5867 1 216 . 1 1 22 22 PRO HD3 H 1 3.948 0.000 . 1 . . . . . . . . 5867 1 217 . 1 1 23 23 GLY H H 1 8.724 0.000 . 1 . . . . . . . . 5867 1 218 . 1 1 23 23 GLY N N 15 109.886 0.000 . 1 . . . . . . . . 5867 1 219 . 1 1 23 23 GLY CA C 13 42.839 0.000 . 1 . . . . . . . . 5867 1 220 . 1 1 23 23 GLY HA3 H 1 4.008 0.000 . 1 . . . . . . . . 5867 1 221 . 1 1 23 23 GLY C C 13 172.291 0.000 . 1 . . . . . . . . 5867 1 222 . 1 1 23 23 GLY HA2 H 1 4.070 0.000 . 1 . . . . . . . . 5867 1 223 . 1 1 24 24 ASP H H 1 7.494 0.000 . 1 . . . . . . . . 5867 1 224 . 1 1 24 24 ASP N N 15 121.662 0.000 . 1 . . . . . . . . 5867 1 225 . 1 1 24 24 ASP CA C 13 51.431 0.000 . 1 . . . . . . . . 5867 1 226 . 1 1 24 24 ASP HA H 1 5.338 0.000 . 1 . . . . . . . . 5867 1 227 . 1 1 24 24 ASP C C 13 174.178 0.000 . 1 . . . . . . . . 5867 1 228 . 1 1 24 24 ASP CB C 13 38.652 0.000 . 1 . . . . . . . . 5867 1 229 . 1 1 24 24 ASP HB2 H 1 2.720 0.000 . 1 . . . . . . . . 5867 1 230 . 1 1 24 24 ASP HB3 H 1 2.836 0.000 . 1 . . . . . . . . 5867 1 231 . 1 1 25 25 LEU H H 1 9.671 0.000 . 1 . . . . . . . . 5867 1 232 . 1 1 25 25 LEU N N 15 127.273 0.000 . 1 . . . . . . . . 5867 1 233 . 1 1 25 25 LEU CA C 13 51.598 0.000 . 1 . . . . . . . . 5867 1 234 . 1 1 25 25 LEU HA H 1 4.409 0.000 . 1 . . . . . . . . 5867 1 235 . 1 1 25 25 LEU C C 13 170.819 0.000 . 1 . . . . . . . . 5867 1 236 . 1 1 25 25 LEU CB C 13 41.524 0.000 . 1 . . . . . . . . 5867 1 237 . 1 1 25 25 LEU HB2 H 1 1.926 0.000 . 1 . . . . . . . . 5867 1 238 . 1 1 25 25 LEU HB3 H 1 1.002 0.000 . 1 . . . . . . . . 5867 1 239 . 1 1 25 25 LEU CG C 13 25.121 0.000 . 1 . . . . . . . . 5867 1 240 . 1 1 25 25 LEU CD1 C 13 23.806 0.000 . 1 . . . . . . . . 5867 1 241 . 1 1 25 25 LEU HD11 H 1 0.647 0.000 . 1 . . . . . . . . 5867 1 242 . 1 1 25 25 LEU HD12 H 1 0.647 0.000 . 1 . . . . . . . . 5867 1 243 . 1 1 25 25 LEU HD13 H 1 0.647 0.000 . 1 . . . . . . . . 5867 1 244 . 1 1 25 25 LEU CD2 C 13 20.790 0.000 . 1 . . . . . . . . 5867 1 245 . 1 1 25 25 LEU HD21 H 1 0.819 0.000 . 1 . . . . . . . . 5867 1 246 . 1 1 25 25 LEU HD22 H 1 0.819 0.000 . 1 . . . . . . . . 5867 1 247 . 1 1 25 25 LEU HD23 H 1 0.819 0.000 . 1 . . . . . . . . 5867 1 248 . 1 1 25 25 LEU HG H 1 1.589 0.000 . 1 . . . . . . . . 5867 1 249 . 1 1 26 26 THR H H 1 7.118 0.000 . 1 . . . . . . . . 5867 1 250 . 1 1 26 26 THR N N 15 112.136 0.000 . 1 . . . . . . . . 5867 1 251 . 1 1 26 26 THR CA C 13 57.745 0.000 . 1 . . . . . . . . 5867 1 252 . 1 1 26 26 THR HA H 1 4.512 0.000 . 1 . . . . . . . . 5867 1 253 . 1 1 26 26 THR C C 13 172.543 0.000 . 1 . . . . . . . . 5867 1 254 . 1 1 26 26 THR CB C 13 68.666 0.000 . 1 . . . . . . . . 5867 1 255 . 1 1 26 26 THR HB H 1 4.261 0.000 . 1 . . . . . . . . 5867 1 256 . 1 1 26 26 THR CG2 C 13 20.015 0.000 . 1 . . . . . . . . 5867 1 257 . 1 1 26 26 THR HG21 H 1 1.057 0.000 . 1 . . . . . . . . 5867 1 258 . 1 1 26 26 THR HG22 H 1 1.057 0.000 . 1 . . . . . . . . 5867 1 259 . 1 1 26 26 THR HG23 H 1 1.057 0.000 . 1 . . . . . . . . 5867 1 260 . 1 1 27 27 PHE H H 1 8.015 0.000 . 1 . . . . . . . . 5867 1 261 . 1 1 27 27 PHE N N 15 115.043 0.000 . 1 . . . . . . . . 5867 1 262 . 1 1 27 27 PHE CA C 13 53.677 0.000 . 1 . . . . . . . . 5867 1 263 . 1 1 27 27 PHE HA H 1 4.881 0.000 . 1 . . . . . . . . 5867 1 264 . 1 1 27 27 PHE C C 13 173.600 0.000 . 1 . . . . . . . . 5867 1 265 . 1 1 27 27 PHE CB C 13 37.400 0.000 . 1 . . . . . . . . 5867 1 266 . 1 1 27 27 PHE HB2 H 1 3.144 0.000 . 1 . . . . . . . . 5867 1 267 . 1 1 27 27 PHE HB3 H 1 3.025 0.000 . 1 . . . . . . . . 5867 1 268 . 1 1 27 27 PHE CD1 C 13 130.500 0.000 . 1 . . . . . . . . 5867 1 269 . 1 1 27 27 PHE HD1 H 1 6.613 0.000 . 2 . . . . . . . . 5867 1 270 . 1 1 27 27 PHE CD2 C 13 130.500 0.000 . 1 . . . . . . . . 5867 1 271 . 1 1 27 27 PHE CE1 C 13 129.200 0.000 . 1 . . . . . . . . 5867 1 272 . 1 1 27 27 PHE HE1 H 1 7.101 0.000 . 2 . . . . . . . . 5867 1 273 . 1 1 27 27 PHE CE2 C 13 129.200 0.000 . 1 . . . . . . . . 5867 1 274 . 1 1 27 27 PHE CZ C 13 125.820 0.000 . 1 . . . . . . . . 5867 1 275 . 1 1 27 27 PHE HZ H 1 6.559 0.000 . 1 . . . . . . . . 5867 1 276 . 1 1 28 28 THR H H 1 9.629 0.000 . 1 . . . . . . . . 5867 1 277 . 1 1 28 28 THR N N 15 113.872 0.000 . 1 . . . . . . . . 5867 1 278 . 1 1 28 28 THR CA C 13 57.783 0.000 . 1 . . . . . . . . 5867 1 279 . 1 1 28 28 THR HA H 1 4.567 0.000 . 1 . . . . . . . . 5867 1 280 . 1 1 28 28 THR C C 13 171.454 0.000 . 1 . . . . . . . . 5867 1 281 . 1 1 28 28 THR CB C 13 68.666 0.000 . 1 . . . . . . . . 5867 1 282 . 1 1 28 28 THR HB H 1 4.325 0.000 . 1 . . . . . . . . 5867 1 283 . 1 1 28 28 THR CG2 C 13 19.168 0.000 . 1 . . . . . . . . 5867 1 284 . 1 1 28 28 THR HG21 H 1 1.215 0.000 . 1 . . . . . . . . 5867 1 285 . 1 1 28 28 THR HG22 H 1 1.215 0.000 . 1 . . . . . . . . 5867 1 286 . 1 1 28 28 THR HG23 H 1 1.215 0.000 . 1 . . . . . . . . 5867 1 287 . 1 1 29 29 GLU H H 1 8.588 0.000 . 1 . . . . . . . . 5867 1 288 . 1 1 29 29 GLU N N 15 119.426 0.000 . 1 . . . . . . . . 5867 1 289 . 1 1 29 29 GLU CA C 13 56.073 0.000 . 1 . . . . . . . . 5867 1 290 . 1 1 29 29 GLU HA H 1 3.392 0.000 . 1 . . . . . . . . 5867 1 291 . 1 1 29 29 GLU C C 13 174.485 0.000 . 1 . . . . . . . . 5867 1 292 . 1 1 29 29 GLU CB C 13 27.089 0.000 . 1 . . . . . . . . 5867 1 293 . 1 1 29 29 GLU HB2 H 1 1.838 0.000 . 1 . . . . . . . . 5867 1 294 . 1 1 29 29 GLU HB3 H 1 1.722 0.000 . 1 . . . . . . . . 5867 1 295 . 1 1 29 29 GLU CG C 13 32.968 0.000 . 1 . . . . . . . . 5867 1 296 . 1 1 29 29 GLU HG2 H 1 2.137 0.000 . 1 . . . . . . . . 5867 1 297 . 1 1 29 29 GLU HG3 H 1 2.091 0.000 . 1 . . . . . . . . 5867 1 298 . 1 1 30 30 GLY H H 1 8.691 0.000 . 1 . . . . . . . . 5867 1 299 . 1 1 30 30 GLY N N 15 111.928 0.000 . 1 . . . . . . . . 5867 1 300 . 1 1 30 30 GLY CA C 13 42.844 0.000 . 1 . . . . . . . . 5867 1 301 . 1 1 30 30 GLY HA3 H 1 3.418 0.000 . 1 . . . . . . . . 5867 1 302 . 1 1 30 30 GLY C C 13 171.621 0.000 . 1 . . . . . . . . 5867 1 303 . 1 1 30 30 GLY HA2 H 1 4.235 0.000 . 1 . . . . . . . . 5867 1 304 . 1 1 31 31 GLU H H 1 7.236 0.000 . 1 . . . . . . . . 5867 1 305 . 1 1 31 31 GLU N N 15 119.088 0.000 . 1 . . . . . . . . 5867 1 306 . 1 1 31 31 GLU CA C 13 56.705 0.000 . 1 . . . . . . . . 5867 1 307 . 1 1 31 31 GLU HA H 1 4.085 0.000 . 1 . . . . . . . . 5867 1 308 . 1 1 31 31 GLU C C 13 171.946 0.000 . 1 . . . . . . . . 5867 1 309 . 1 1 31 31 GLU CB C 13 28.620 0.000 . 1 . . . . . . . . 5867 1 310 . 1 1 31 31 GLU HB2 H 1 1.896 0.000 . 1 . . . . . . . . 5867 1 311 . 1 1 31 31 GLU CG C 13 36.330 0.000 . 1 . . . . . . . . 5867 1 312 . 1 1 31 31 GLU HG2 H 1 2.512 0.000 . 1 . . . . . . . . 5867 1 313 . 1 1 31 31 GLU HG3 H 1 2.004 0.000 . 1 . . . . . . . . 5867 1 314 . 1 1 32 32 GLU H H 1 8.221 0.000 . 1 . . . . . . . . 5867 1 315 . 1 1 32 32 GLU N N 15 121.318 0.000 . 1 . . . . . . . . 5867 1 316 . 1 1 32 32 GLU CA C 13 53.248 0.000 . 1 . . . . . . . . 5867 1 317 . 1 1 32 32 GLU HA H 1 4.790 0.000 . 1 . . . . . . . . 5867 1 318 . 1 1 32 32 GLU C C 13 173.004 0.000 . 1 . . . . . . . . 5867 1 319 . 1 1 32 32 GLU CB C 13 28.402 0.000 . 1 . . . . . . . . 5867 1 320 . 1 1 32 32 GLU HB2 H 1 1.899 0.000 . 1 . . . . . . . . 5867 1 321 . 1 1 32 32 GLU CG C 13 34.482 0.000 . 1 . . . . . . . . 5867 1 322 . 1 1 32 32 GLU HG2 H 1 2.205 0.000 . 1 . . . . . . . . 5867 1 323 . 1 1 32 32 GLU HG3 H 1 1.934 0.000 . 1 . . . . . . . . 5867 1 324 . 1 1 33 33 ILE H H 1 8.895 0.000 . 1 . . . . . . . . 5867 1 325 . 1 1 33 33 ILE N N 15 126.248 0.000 . 1 . . . . . . . . 5867 1 326 . 1 1 33 33 ILE CA C 13 58.162 0.000 . 1 . . . . . . . . 5867 1 327 . 1 1 33 33 ILE HA H 1 4.048 0.000 . 1 . . . . . . . . 5867 1 328 . 1 1 33 33 ILE C C 13 172.276 0.000 . 1 . . . . . . . . 5867 1 329 . 1 1 33 33 ILE CB C 13 40.656 0.000 . 1 . . . . . . . . 5867 1 330 . 1 1 33 33 ILE HB H 1 0.952 0.000 . 1 . . . . . . . . 5867 1 331 . 1 1 33 33 ILE CG2 C 13 16.189 0.000 . 1 . . . . . . . . 5867 1 332 . 1 1 33 33 ILE CG1 C 13 25.265 0.000 . 1 . . . . . . . . 5867 1 333 . 1 1 33 33 ILE HG12 H 1 0.072 0.000 . 1 . . . . . . . . 5867 1 334 . 1 1 33 33 ILE HG13 H 1 0.798 0.000 . 1 . . . . . . . . 5867 1 335 . 1 1 33 33 ILE CD1 C 13 11.771 0.000 . 1 . . . . . . . . 5867 1 336 . 1 1 33 33 ILE HD11 H 1 -0.820 0.000 . 1 . . . . . . . . 5867 1 337 . 1 1 33 33 ILE HD12 H 1 -0.820 0.000 . 1 . . . . . . . . 5867 1 338 . 1 1 33 33 ILE HD13 H 1 -0.820 0.000 . 1 . . . . . . . . 5867 1 339 . 1 1 33 33 ILE HG21 H 1 0.406 0.000 . 1 . . . . . . . . 5867 1 340 . 1 1 33 33 ILE HG22 H 1 0.406 0.000 . 1 . . . . . . . . 5867 1 341 . 1 1 33 33 ILE HG23 H 1 0.406 0.000 . 1 . . . . . . . . 5867 1 342 . 1 1 34 34 LEU H H 1 8.634 0.000 . 1 . . . . . . . . 5867 1 343 . 1 1 34 34 LEU N N 15 128.504 0.000 . 1 . . . . . . . . 5867 1 344 . 1 1 34 34 LEU CA C 13 51.276 0.000 . 1 . . . . . . . . 5867 1 345 . 1 1 34 34 LEU HA H 1 4.783 0.000 . 1 . . . . . . . . 5867 1 346 . 1 1 34 34 LEU C C 13 173.825 0.000 . 1 . . . . . . . . 5867 1 347 . 1 1 34 34 LEU CB C 13 39.699 0.000 . 1 . . . . . . . . 5867 1 348 . 1 1 34 34 LEU HB2 H 1 1.843 0.000 . 1 . . . . . . . . 5867 1 349 . 1 1 34 34 LEU HB3 H 1 1.489 0.000 . 1 . . . . . . . . 5867 1 350 . 1 1 34 34 LEU CG C 13 24.900 0.000 . 1 . . . . . . . . 5867 1 351 . 1 1 34 34 LEU CD1 C 13 21.377 0.000 . 1 . . . . . . . . 5867 1 352 . 1 1 34 34 LEU HD11 H 1 0.725 0.000 . 1 . . . . . . . . 5867 1 353 . 1 1 34 34 LEU HD12 H 1 0.725 0.000 . 1 . . . . . . . . 5867 1 354 . 1 1 34 34 LEU HD13 H 1 0.725 0.000 . 1 . . . . . . . . 5867 1 355 . 1 1 34 34 LEU CD2 C 13 22.726 0.000 . 1 . . . . . . . . 5867 1 356 . 1 1 34 34 LEU HD21 H 1 0.765 0.000 . 1 . . . . . . . . 5867 1 357 . 1 1 34 34 LEU HD22 H 1 0.765 0.000 . 1 . . . . . . . . 5867 1 358 . 1 1 34 34 LEU HD23 H 1 0.765 0.000 . 1 . . . . . . . . 5867 1 359 . 1 1 34 34 LEU HG H 1 1.310 0.000 . 1 . . . . . . . . 5867 1 360 . 1 1 35 35 VAL H H 1 9.526 0.000 . 1 . . . . . . . . 5867 1 361 . 1 1 35 35 VAL N N 15 128.445 0.000 . 1 . . . . . . . . 5867 1 362 . 1 1 35 35 VAL CA C 13 61.445 0.000 . 1 . . . . . . . . 5867 1 363 . 1 1 35 35 VAL HA H 1 4.568 0.000 . 1 . . . . . . . . 5867 1 364 . 1 1 35 35 VAL C C 13 175.039 0.000 . 1 . . . . . . . . 5867 1 365 . 1 1 35 35 VAL CB C 13 30.281 0.000 . 1 . . . . . . . . 5867 1 366 . 1 1 35 35 VAL HB H 1 2.050 0.000 . 1 . . . . . . . . 5867 1 367 . 1 1 35 35 VAL CG1 C 13 22.056 0.000 . 1 . . . . . . . . 5867 1 368 . 1 1 35 35 VAL HG11 H 1 1.037 0.000 . 1 . . . . . . . . 5867 1 369 . 1 1 35 35 VAL HG12 H 1 1.037 0.000 . 1 . . . . . . . . 5867 1 370 . 1 1 35 35 VAL HG13 H 1 1.037 0.000 . 1 . . . . . . . . 5867 1 371 . 1 1 35 35 VAL CG2 C 13 19.537 0.000 . 1 . . . . . . . . 5867 1 372 . 1 1 35 35 VAL HG21 H 1 0.552 0.000 . 1 . . . . . . . . 5867 1 373 . 1 1 35 35 VAL HG22 H 1 0.552 0.000 . 1 . . . . . . . . 5867 1 374 . 1 1 35 35 VAL HG23 H 1 0.552 0.000 . 1 . . . . . . . . 5867 1 375 . 1 1 36 36 THR H H 1 8.852 0.000 . 1 . . . . . . . . 5867 1 376 . 1 1 36 36 THR N N 15 118.069 0.000 . 1 . . . . . . . . 5867 1 377 . 1 1 36 36 THR CA C 13 59.418 0.000 . 1 . . . . . . . . 5867 1 378 . 1 1 36 36 THR HA H 1 4.436 0.000 . 1 . . . . . . . . 5867 1 379 . 1 1 36 36 THR C C 13 172.532 0.000 . 1 . . . . . . . . 5867 1 380 . 1 1 36 36 THR CB C 13 67.389 0.000 . 1 . . . . . . . . 5867 1 381 . 1 1 36 36 THR HB H 1 4.244 0.000 . 1 . . . . . . . . 5867 1 382 . 1 1 36 36 THR CG2 C 13 19.649 0.000 . 1 . . . . . . . . 5867 1 383 . 1 1 36 36 THR HG21 H 1 1.082 0.000 . 1 . . . . . . . . 5867 1 384 . 1 1 36 36 THR HG22 H 1 1.082 0.000 . 1 . . . . . . . . 5867 1 385 . 1 1 36 36 THR HG23 H 1 1.082 0.000 . 1 . . . . . . . . 5867 1 386 . 1 1 37 37 GLN H H 1 7.448 0.000 . 1 . . . . . . . . 5867 1 387 . 1 1 37 37 GLN N N 15 121.100 0.000 . 1 . . . . . . . . 5867 1 388 . 1 1 37 37 GLN CA C 13 54.291 0.000 . 1 . . . . . . . . 5867 1 389 . 1 1 37 37 GLN HA H 1 4.322 0.000 . 1 . . . . . . . . 5867 1 390 . 1 1 37 37 GLN C C 13 171.157 0.000 . 1 . . . . . . . . 5867 1 391 . 1 1 37 37 GLN CB C 13 29.683 0.000 . 1 . . . . . . . . 5867 1 392 . 1 1 37 37 GLN HB2 H 1 1.921 0.000 . 1 . . . . . . . . 5867 1 393 . 1 1 37 37 GLN CG C 13 31.739 0.000 . 1 . . . . . . . . 5867 1 394 . 1 1 37 37 GLN HG2 H 1 2.229 0.000 . 1 . . . . . . . . 5867 1 395 . 1 1 37 37 GLN HG3 H 1 2.279 0.000 . 1 . . . . . . . . 5867 1 396 . 1 1 37 37 GLN NE2 N 15 111.969 0.000 . 1 . . . . . . . . 5867 1 397 . 1 1 37 37 GLN HE21 H 1 6.728 0.000 . 1 . . . . . . . . 5867 1 398 . 1 1 37 37 GLN HE22 H 1 7.718 0.000 . 1 . . . . . . . . 5867 1 399 . 1 1 38 38 LYS H H 1 8.235 0.000 . 1 . . . . . . . . 5867 1 400 . 1 1 38 38 LYS N N 15 123.648 0.000 . 1 . . . . . . . . 5867 1 401 . 1 1 38 38 LYS CA C 13 52.314 0.000 . 1 . . . . . . . . 5867 1 402 . 1 1 38 38 LYS HA H 1 3.499 0.000 . 1 . . . . . . . . 5867 1 403 . 1 1 38 38 LYS C C 13 172.581 0.000 . 1 . . . . . . . . 5867 1 404 . 1 1 38 38 LYS CB C 13 30.957 0.000 . 1 . . . . . . . . 5867 1 405 . 1 1 38 38 LYS HB2 H 1 0.901 0.000 . 1 . . . . . . . . 5867 1 406 . 1 1 38 38 LYS HB3 H 1 0.887 0.000 . 1 . . . . . . . . 5867 1 407 . 1 1 38 38 LYS CG C 13 21.180 0.000 . 1 . . . . . . . . 5867 1 408 . 1 1 38 38 LYS HG2 H 1 0.281 0.000 . 1 . . . . . . . . 5867 1 409 . 1 1 38 38 LYS HG3 H 1 -0.874 0.000 . 1 . . . . . . . . 5867 1 410 . 1 1 38 38 LYS CD C 13 27.526 0.000 . 1 . . . . . . . . 5867 1 411 . 1 1 38 38 LYS HD2 H 1 0.901 0.000 . 1 . . . . . . . . 5867 1 412 . 1 1 38 38 LYS CE C 13 39.124 0.000 . 1 . . . . . . . . 5867 1 413 . 1 1 38 38 LYS HE2 H 1 1.696 0.000 . 1 . . . . . . . . 5867 1 414 . 1 1 38 38 LYS HE3 H 1 2.249 0.000 . 1 . . . . . . . . 5867 1 415 . 1 1 39 39 ASP H H 1 7.604 0.000 . 1 . . . . . . . . 5867 1 416 . 1 1 39 39 ASP N N 15 122.243 0.000 . 1 . . . . . . . . 5867 1 417 . 1 1 39 39 ASP CA C 13 51.165 0.000 . 1 . . . . . . . . 5867 1 418 . 1 1 39 39 ASP HA H 1 4.842 0.000 . 1 . . . . . . . . 5867 1 419 . 1 1 39 39 ASP C C 13 173.507 0.000 . 1 . . . . . . . . 5867 1 420 . 1 1 39 39 ASP CB C 13 39.070 0.000 . 1 . . . . . . . . 5867 1 421 . 1 1 39 39 ASP HB2 H 1 2.770 0.000 . 1 . . . . . . . . 5867 1 422 . 1 1 39 39 ASP HB3 H 1 2.514 0.000 . 1 . . . . . . . . 5867 1 423 . 1 1 40 40 GLY H H 1 8.326 0.000 . 1 . . . . . . . . 5867 1 424 . 1 1 40 40 GLY N N 15 110.684 0.000 . 1 . . . . . . . . 5867 1 425 . 1 1 40 40 GLY CA C 13 44.025 0.000 . 1 . . . . . . . . 5867 1 426 . 1 1 40 40 GLY HA3 H 1 4.120 0.000 . 1 . . . . . . . . 5867 1 427 . 1 1 40 40 GLY C C 13 172.017 0.000 . 1 . . . . . . . . 5867 1 428 . 1 1 40 40 GLY HA2 H 1 3.767 0.000 . 1 . . . . . . . . 5867 1 429 . 1 1 41 41 GLU H H 1 8.750 0.000 . 1 . . . . . . . . 5867 1 430 . 1 1 41 41 GLU N N 15 122.374 0.000 . 1 . . . . . . . . 5867 1 431 . 1 1 41 41 GLU CA C 13 55.041 0.000 . 1 . . . . . . . . 5867 1 432 . 1 1 41 41 GLU HA H 1 3.978 0.000 . 1 . . . . . . . . 5867 1 433 . 1 1 41 41 GLU C C 13 173.459 0.000 . 1 . . . . . . . . 5867 1 434 . 1 1 41 41 GLU CB C 13 27.745 0.000 . 1 . . . . . . . . 5867 1 435 . 1 1 41 41 GLU HB2 H 1 1.839 0.000 . 1 . . . . . . . . 5867 1 436 . 1 1 41 41 GLU HB3 H 1 1.740 0.000 . 1 . . . . . . . . 5867 1 437 . 1 1 41 41 GLU CG C 13 34.137 0.000 . 1 . . . . . . . . 5867 1 438 . 1 1 41 41 GLU HG2 H 1 2.054 0.000 . 1 . . . . . . . . 5867 1 439 . 1 1 41 41 GLU HG3 H 1 1.988 0.000 . 1 . . . . . . . . 5867 1 440 . 1 1 42 42 TRP H H 1 7.732 0.000 . 1 . . . . . . . . 5867 1 441 . 1 1 42 42 TRP N N 15 119.357 0.000 . 1 . . . . . . . . 5867 1 442 . 1 1 42 42 TRP CA C 13 53.752 0.000 . 1 . . . . . . . . 5867 1 443 . 1 1 42 42 TRP HA H 1 4.667 0.000 . 1 . . . . . . . . 5867 1 444 . 1 1 42 42 TRP C C 13 172.763 0.000 . 1 . . . . . . . . 5867 1 445 . 1 1 42 42 TRP CB C 13 27.398 0.000 . 1 . . . . . . . . 5867 1 446 . 1 1 42 42 TRP HB2 H 1 2.848 0.000 . 1 . . . . . . . . 5867 1 447 . 1 1 42 42 TRP HB3 H 1 2.980 0.000 . 1 . . . . . . . . 5867 1 448 . 1 1 42 42 TRP CD1 C 13 124.600 0.000 . 1 . . . . . . . . 5867 1 449 . 1 1 42 42 TRP HD1 H 1 7.137 0.000 . 1 . . . . . . . . 5867 1 450 . 1 1 42 42 TRP NE1 N 15 128.504 0.000 . 1 . . . . . . . . 5867 1 451 . 1 1 42 42 TRP HE1 H 1 9.956 0.000 . 1 . . . . . . . . 5867 1 452 . 1 1 42 42 TRP CE3 C 13 117.800 0.000 . 1 . . . . . . . . 5867 1 453 . 1 1 42 42 TRP HE3 H 1 7.017 0.000 . 1 . . . . . . . . 5867 1 454 . 1 1 42 42 TRP CZ2 C 13 112.208 0.000 . 1 . . . . . . . . 5867 1 455 . 1 1 42 42 TRP HZ2 H 1 7.386 0.000 . 1 . . . . . . . . 5867 1 456 . 1 1 42 42 TRP CZ3 C 13 118.800 0.000 . 1 . . . . . . . . 5867 1 457 . 1 1 42 42 TRP HZ3 H 1 6.773 0.000 . 1 . . . . . . . . 5867 1 458 . 1 1 42 42 TRP CH2 C 13 122.705 0.000 . 1 . . . . . . . . 5867 1 459 . 1 1 42 42 TRP HH2 H 1 7.256 0.000 . 1 . . . . . . . . 5867 1 460 . 1 1 43 43 TRP H H 1 8.412 0.000 . 1 . . . . . . . . 5867 1 461 . 1 1 43 43 TRP N N 15 127.254 0.000 . 1 . . . . . . . . 5867 1 462 . 1 1 43 43 TRP CA C 13 51.210 0.000 . 1 . . . . . . . . 5867 1 463 . 1 1 43 43 TRP HA H 1 4.997 0.000 . 1 . . . . . . . . 5867 1 464 . 1 1 43 43 TRP C C 13 171.420 0.000 . 1 . . . . . . . . 5867 1 465 . 1 1 43 43 TRP CB C 13 30.266 0.000 . 1 . . . . . . . . 5867 1 466 . 1 1 43 43 TRP HB2 H 1 2.760 0.000 . 1 . . . . . . . . 5867 1 467 . 1 1 43 43 TRP HB3 H 1 1.813 0.000 . 1 . . . . . . . . 5867 1 468 . 1 1 43 43 TRP CD1 C 13 120.310 0.000 . 1 . . . . . . . . 5867 1 469 . 1 1 43 43 TRP HD1 H 1 6.514 0.000 . 1 . . . . . . . . 5867 1 470 . 1 1 43 43 TRP NE1 N 15 127.605 0.000 . 1 . . . . . . . . 5867 1 471 . 1 1 43 43 TRP HE1 H 1 9.471 0.000 . 1 . . . . . . . . 5867 1 472 . 1 1 43 43 TRP CE3 C 13 117.974 0.000 . 1 . . . . . . . . 5867 1 473 . 1 1 43 43 TRP HE3 H 1 6.851 0.000 . 1 . . . . . . . . 5867 1 474 . 1 1 43 43 TRP CZ2 C 13 111.933 0.000 . 1 . . . . . . . . 5867 1 475 . 1 1 43 43 TRP HZ2 H 1 7.355 0.000 . 1 . . . . . . . . 5867 1 476 . 1 1 43 43 TRP CZ3 C 13 119.216 0.000 . 1 . . . . . . . . 5867 1 477 . 1 1 43 43 TRP HZ3 H 1 5.654 0.000 . 1 . . . . . . . . 5867 1 478 . 1 1 43 43 TRP CH2 C 13 122.204 0.000 . 1 . . . . . . . . 5867 1 479 . 1 1 43 43 TRP HH2 H 1 6.977 0.000 . 1 . . . . . . . . 5867 1 480 . 1 1 44 44 THR H H 1 8.463 0.000 . 1 . . . . . . . . 5867 1 481 . 1 1 44 44 THR N N 15 113.412 0.000 . 1 . . . . . . . . 5867 1 482 . 1 1 44 44 THR CA C 13 59.539 0.000 . 1 . . . . . . . . 5867 1 483 . 1 1 44 44 THR HA H 1 5.100 0.000 . 1 . . . . . . . . 5867 1 484 . 1 1 44 44 THR C C 13 172.457 0.000 . 1 . . . . . . . . 5867 1 485 . 1 1 44 44 THR CB C 13 67.929 0.000 . 1 . . . . . . . . 5867 1 486 . 1 1 44 44 THR HB H 1 3.794 0.000 . 1 . . . . . . . . 5867 1 487 . 1 1 44 44 THR CG2 C 13 18.682 0.000 . 1 . . . . . . . . 5867 1 488 . 1 1 44 44 THR HG21 H 1 1.114 0.000 . 1 . . . . . . . . 5867 1 489 . 1 1 44 44 THR HG22 H 1 1.114 0.000 . 1 . . . . . . . . 5867 1 490 . 1 1 44 44 THR HG23 H 1 1.114 0.000 . 1 . . . . . . . . 5867 1 491 . 1 1 45 45 GLY H H 1 9.239 0.000 . 1 . . . . . . . . 5867 1 492 . 1 1 45 45 GLY N N 15 112.423 0.000 . 1 . . . . . . . . 5867 1 493 . 1 1 45 45 GLY CA C 13 44.100 0.000 . 1 . . . . . . . . 5867 1 494 . 1 1 45 45 GLY HA3 H 1 3.766 0.000 . 1 . . . . . . . . 5867 1 495 . 1 1 45 45 GLY C C 13 168.731 0.000 . 1 . . . . . . . . 5867 1 496 . 1 1 45 45 GLY HA2 H 1 5.303 0.000 . 1 . . . . . . . . 5867 1 497 . 1 1 46 46 SER H H 1 8.897 0.000 . 1 . . . . . . . . 5867 1 498 . 1 1 46 46 SER N N 15 111.753 0.000 . 1 . . . . . . . . 5867 1 499 . 1 1 46 46 SER CA C 13 54.617 0.000 . 1 . . . . . . . . 5867 1 500 . 1 1 46 46 SER HA H 1 5.635 0.000 . 1 . . . . . . . . 5867 1 501 . 1 1 46 46 SER C C 13 171.453 0.000 . 1 . . . . . . . . 5867 1 502 . 1 1 46 46 SER CB C 13 65.166 0.000 . 1 . . . . . . . . 5867 1 503 . 1 1 46 46 SER HB2 H 1 3.813 0.000 . 1 . . . . . . . . 5867 1 504 . 1 1 47 47 ILE H H 1 8.679 0.000 . 1 . . . . . . . . 5867 1 505 . 1 1 47 47 ILE N N 15 122.778 0.000 . 1 . . . . . . . . 5867 1 506 . 1 1 47 47 ILE CA C 13 59.083 0.000 . 1 . . . . . . . . 5867 1 507 . 1 1 47 47 ILE HA H 1 4.201 0.000 . 1 . . . . . . . . 5867 1 508 . 1 1 47 47 ILE C C 13 174.626 0.000 . 1 . . . . . . . . 5867 1 509 . 1 1 47 47 ILE CB C 13 38.352 0.000 . 1 . . . . . . . . 5867 1 510 . 1 1 47 47 ILE HB H 1 1.613 0.000 . 1 . . . . . . . . 5867 1 511 . 1 1 47 47 ILE CG2 C 13 15.296 0.000 . 1 . . . . . . . . 5867 1 512 . 1 1 47 47 ILE CG1 C 13 24.900 0.000 . 1 . . . . . . . . 5867 1 513 . 1 1 47 47 ILE HG12 H 1 1.329 0.000 . 1 . . . . . . . . 5867 1 514 . 1 1 47 47 ILE HG13 H 1 1.179 0.000 . 1 . . . . . . . . 5867 1 515 . 1 1 47 47 ILE CD1 C 13 12.811 0.000 . 1 . . . . . . . . 5867 1 516 . 1 1 47 47 ILE HD11 H 1 0.760 0.000 . 1 . . . . . . . . 5867 1 517 . 1 1 47 47 ILE HD12 H 1 0.760 0.000 . 1 . . . . . . . . 5867 1 518 . 1 1 47 47 ILE HD13 H 1 0.760 0.000 . 1 . . . . . . . . 5867 1 519 . 1 1 47 47 ILE HG21 H 1 0.953 0.000 . 1 . . . . . . . . 5867 1 520 . 1 1 47 47 ILE HG22 H 1 0.953 0.000 . 1 . . . . . . . . 5867 1 521 . 1 1 47 47 ILE HG23 H 1 0.953 0.000 . 1 . . . . . . . . 5867 1 522 . 1 1 48 48 GLY H H 1 9.031 0.000 . 1 . . . . . . . . 5867 1 523 . 1 1 48 48 GLY N N 15 117.390 0.000 . 1 . . . . . . . . 5867 1 524 . 1 1 48 48 GLY CA C 13 45.153 0.000 . 1 . . . . . . . . 5867 1 525 . 1 1 48 48 GLY HA3 H 1 3.644 0.000 . 1 . . . . . . . . 5867 1 526 . 1 1 48 48 GLY C C 13 172.814 0.000 . 1 . . . . . . . . 5867 1 527 . 1 1 48 48 GLY HA2 H 1 3.977 0.000 . 1 . . . . . . . . 5867 1 528 . 1 1 49 49 ASP H H 1 8.711 0.000 . 1 . . . . . . . . 5867 1 529 . 1 1 49 49 ASP N N 15 126.186 0.000 . 1 . . . . . . . . 5867 1 530 . 1 1 49 49 ASP CA C 13 52.422 0.000 . 1 . . . . . . . . 5867 1 531 . 1 1 49 49 ASP HA H 1 4.553 0.000 . 1 . . . . . . . . 5867 1 532 . 1 1 49 49 ASP C C 13 173.687 0.000 . 1 . . . . . . . . 5867 1 533 . 1 1 49 49 ASP CB C 13 38.481 0.000 . 1 . . . . . . . . 5867 1 534 . 1 1 49 49 ASP HB2 H 1 2.723 0.000 . 1 . . . . . . . . 5867 1 535 . 1 1 50 50 ARG H H 1 8.089 0.000 . 1 . . . . . . . . 5867 1 536 . 1 1 50 50 ARG N N 15 121.315 0.000 . 1 . . . . . . . . 5867 1 537 . 1 1 50 50 ARG CA C 13 53.413 0.000 . 1 . . . . . . . . 5867 1 538 . 1 1 50 50 ARG HA H 1 4.590 0.000 . 1 . . . . . . . . 5867 1 539 . 1 1 50 50 ARG C C 13 172.800 0.000 . 1 . . . . . . . . 5867 1 540 . 1 1 50 50 ARG CB C 13 29.720 0.000 . 1 . . . . . . . . 5867 1 541 . 1 1 50 50 ARG HB2 H 1 1.983 0.000 . 1 . . . . . . . . 5867 1 542 . 1 1 50 50 ARG HB3 H 1 1.863 0.000 . 1 . . . . . . . . 5867 1 543 . 1 1 50 50 ARG CG C 13 24.356 0.000 . 1 . . . . . . . . 5867 1 544 . 1 1 50 50 ARG HG2 H 1 1.729 0.000 . 1 . . . . . . . . 5867 1 545 . 1 1 50 50 ARG CD C 13 41.902 0.000 . 1 . . . . . . . . 5867 1 546 . 1 1 50 50 ARG HD2 H 1 3.323 0.000 . 1 . . . . . . . . 5867 1 547 . 1 1 50 50 ARG NE N 15 129.223 0.000 . 1 . . . . . . . . 5867 1 548 . 1 1 50 50 ARG HE H 1 7.244 0.000 . 1 . . . . . . . . 5867 1 549 . 1 1 50 50 ARG HH11 H 1 7.014 0.000 . 2 . . . . . . . . 5867 1 550 . 1 1 50 50 ARG HH21 H 1 7.014 0.000 . 2 . . . . . . . . 5867 1 551 . 1 1 51 51 SER H H 1 8.387 0.000 . 1 . . . . . . . . 5867 1 552 . 1 1 51 51 SER N N 15 114.986 0.000 . 1 . . . . . . . . 5867 1 553 . 1 1 51 51 SER CA C 13 54.838 0.000 . 1 . . . . . . . . 5867 1 554 . 1 1 51 51 SER HA H 1 5.635 0.000 . 1 . . . . . . . . 5867 1 555 . 1 1 51 51 SER C C 13 171.410 0.000 . 1 . . . . . . . . 5867 1 556 . 1 1 51 51 SER CB C 13 64.063 0.000 . 1 . . . . . . . . 5867 1 557 . 1 1 51 51 SER HB2 H 1 3.735 0.000 . 1 . . . . . . . . 5867 1 558 . 1 1 52 52 GLY H H 1 8.801 0.000 . 1 . . . . . . . . 5867 1 559 . 1 1 52 52 GLY N N 15 109.351 0.000 . 1 . . . . . . . . 5867 1 560 . 1 1 52 52 GLY CA C 13 43.403 0.000 . 1 . . . . . . . . 5867 1 561 . 1 1 52 52 GLY HA3 H 1 4.105 0.000 . 1 . . . . . . . . 5867 1 562 . 1 1 52 52 GLY C C 13 169.234 0.000 . 1 . . . . . . . . 5867 1 563 . 1 1 52 52 GLY HA2 H 1 4.294 0.000 . 1 . . . . . . . . 5867 1 564 . 1 1 53 53 ILE H H 1 8.245 0.000 . 1 . . . . . . . . 5867 1 565 . 1 1 53 53 ILE N N 15 113.266 0.000 . 1 . . . . . . . . 5867 1 566 . 1 1 53 53 ILE CA C 13 57.726 0.000 . 1 . . . . . . . . 5867 1 567 . 1 1 53 53 ILE HA H 1 6.150 0.000 . 1 . . . . . . . . 5867 1 568 . 1 1 53 53 ILE C C 13 174.693 0.000 . 1 . . . . . . . . 5867 1 569 . 1 1 53 53 ILE CB C 13 39.638 0.000 . 1 . . . . . . . . 5867 1 570 . 1 1 53 53 ILE HB H 1 1.884 0.000 . 1 . . . . . . . . 5867 1 571 . 1 1 53 53 ILE CG2 C 13 15.467 0.000 . 1 . . . . . . . . 5867 1 572 . 1 1 53 53 ILE CG1 C 13 23.703 0.000 . 1 . . . . . . . . 5867 1 573 . 1 1 53 53 ILE HG12 H 1 1.572 0.000 . 1 . . . . . . . . 5867 1 574 . 1 1 53 53 ILE HG13 H 1 1.020 0.000 . 1 . . . . . . . . 5867 1 575 . 1 1 53 53 ILE CD1 C 13 11.765 0.000 . 1 . . . . . . . . 5867 1 576 . 1 1 53 53 ILE HD11 H 1 0.438 0.000 . 1 . . . . . . . . 5867 1 577 . 1 1 53 53 ILE HD12 H 1 0.438 0.000 . 1 . . . . . . . . 5867 1 578 . 1 1 53 53 ILE HD13 H 1 0.438 0.000 . 1 . . . . . . . . 5867 1 579 . 1 1 53 53 ILE HG21 H 1 0.917 0.000 . 1 . . . . . . . . 5867 1 580 . 1 1 53 53 ILE HG22 H 1 0.917 0.000 . 1 . . . . . . . . 5867 1 581 . 1 1 53 53 ILE HG23 H 1 0.917 0.000 . 1 . . . . . . . . 5867 1 582 . 1 1 54 54 PHE H H 1 8.677 0.000 . 1 . . . . . . . . 5867 1 583 . 1 1 54 54 PHE N N 15 116.180 0.000 . 1 . . . . . . . . 5867 1 584 . 1 1 54 54 PHE CA C 13 53.610 0.000 . 1 . . . . . . . . 5867 1 585 . 1 1 54 54 PHE HA H 1 4.857 0.000 . 1 . . . . . . . . 5867 1 586 . 1 1 54 54 PHE C C 13 168.309 0.000 . 1 . . . . . . . . 5867 1 587 . 1 1 54 54 PHE CB C 13 36.295 0.000 . 1 . . . . . . . . 5867 1 588 . 1 1 54 54 PHE HB2 H 1 3.493 0.000 . 1 . . . . . . . . 5867 1 589 . 1 1 54 54 PHE HB3 H 1 2.508 0.000 . 1 . . . . . . . . 5867 1 590 . 1 1 54 54 PHE CD1 C 13 131.689 0.000 . 1 . . . . . . . . 5867 1 591 . 1 1 54 54 PHE HD1 H 1 7.017 0.000 . 2 . . . . . . . . 5867 1 592 . 1 1 54 54 PHE CD2 C 13 131.689 0.000 . 1 . . . . . . . . 5867 1 593 . 1 1 54 54 PHE CE1 C 13 127.553 0.000 . 1 . . . . . . . . 5867 1 594 . 1 1 54 54 PHE HE1 H 1 6.773 0.000 . 2 . . . . . . . . 5867 1 595 . 1 1 54 54 PHE CE2 C 13 127.553 0.000 . 1 . . . . . . . . 5867 1 596 . 1 1 54 54 PHE CZ C 13 125.974 0.000 . 1 . . . . . . . . 5867 1 597 . 1 1 54 54 PHE HZ H 1 6.984 0.000 . 1 . . . . . . . . 5867 1 598 . 1 1 55 55 PRO CA C 13 59.240 0.000 . 1 . . . . . . . . 5867 1 599 . 1 1 55 55 PRO HA H 1 3.610 0.000 . 1 . . . . . . . . 5867 1 600 . 1 1 55 55 PRO C C 13 176.359 0.000 . 1 . . . . . . . . 5867 1 601 . 1 1 55 55 PRO CB C 13 28.402 0.000 . 1 . . . . . . . . 5867 1 602 . 1 1 55 55 PRO HB2 H 1 1.487 0.000 . 1 . . . . . . . . 5867 1 603 . 1 1 55 55 PRO HB3 H 1 1.359 0.000 . 1 . . . . . . . . 5867 1 604 . 1 1 55 55 PRO CG C 13 25.338 0.000 . 1 . . . . . . . . 5867 1 605 . 1 1 55 55 PRO HG2 H 1 0.875 0.000 . 1 . . . . . . . . 5867 1 606 . 1 1 55 55 PRO HG3 H 1 0.653 0.000 . 1 . . . . . . . . 5867 1 607 . 1 1 55 55 PRO CD C 13 47.360 0.000 . 1 . . . . . . . . 5867 1 608 . 1 1 55 55 PRO HD2 H 1 2.279 0.000 . 1 . . . . . . . . 5867 1 609 . 1 1 55 55 PRO HD3 H 1 2.022 0.000 . 1 . . . . . . . . 5867 1 610 . 1 1 56 56 SER H H 1 7.755 0.000 . 1 . . . . . . . . 5867 1 611 . 1 1 56 56 SER N N 15 119.480 0.000 . 1 . . . . . . . . 5867 1 612 . 1 1 56 56 SER CA C 13 58.287 0.000 . 1 . . . . . . . . 5867 1 613 . 1 1 56 56 SER HA H 1 2.476 0.000 . 1 . . . . . . . . 5867 1 614 . 1 1 56 56 SER C C 13 172.198 0.000 . 1 . . . . . . . . 5867 1 615 . 1 1 56 56 SER CB C 13 58.381 0.000 . 1 . . . . . . . . 5867 1 616 . 1 1 56 56 SER HB2 H 1 1.758 0.000 . 1 . . . . . . . . 5867 1 617 . 1 1 56 56 SER HB3 H 1 1.583 0.000 . 1 . . . . . . . . 5867 1 618 . 1 1 57 57 ASN H H 1 7.910 0.000 . 1 . . . . . . . . 5867 1 619 . 1 1 57 57 ASN N N 15 115.444 0.000 . 1 . . . . . . . . 5867 1 620 . 1 1 57 57 ASN CA C 13 51.463 0.000 . 1 . . . . . . . . 5867 1 621 . 1 1 57 57 ASN HA H 1 4.497 0.000 . 1 . . . . . . . . 5867 1 622 . 1 1 57 57 ASN C C 13 173.055 0.000 . 1 . . . . . . . . 5867 1 623 . 1 1 57 57 ASN CB C 13 34.274 0.000 . 1 . . . . . . . . 5867 1 624 . 1 1 57 57 ASN HB2 H 1 2.887 0.000 . 1 . . . . . . . . 5867 1 625 . 1 1 57 57 ASN HB3 H 1 2.591 0.000 . 1 . . . . . . . . 5867 1 626 . 1 1 57 57 ASN ND2 N 15 111.610 0.000 . 1 . . . . . . . . 5867 1 627 . 1 1 57 57 ASN HD21 H 1 7.377 0.000 . 1 . . . . . . . . 5867 1 628 . 1 1 57 57 ASN HD22 H 1 6.477 0.000 . 1 . . . . . . . . 5867 1 629 . 1 1 58 58 TYR H H 1 7.891 0.000 . 1 . . . . . . . . 5867 1 630 . 1 1 58 58 TYR N N 15 118.321 0.000 . 1 . . . . . . . . 5867 1 631 . 1 1 58 58 TYR CA C 13 57.202 0.000 . 1 . . . . . . . . 5867 1 632 . 1 1 58 58 TYR HA H 1 4.571 0.000 . 1 . . . . . . . . 5867 1 633 . 1 1 58 58 TYR C C 13 172.872 0.000 . 1 . . . . . . . . 5867 1 634 . 1 1 58 58 TYR CB C 13 36.027 0.000 . 1 . . . . . . . . 5867 1 635 . 1 1 58 58 TYR HB2 H 1 3.377 0.000 . 1 . . . . . . . . 5867 1 636 . 1 1 58 58 TYR HB3 H 1 3.649 0.000 . 1 . . . . . . . . 5867 1 637 . 1 1 58 58 TYR CD1 C 13 129.959 0.000 . 1 . . . . . . . . 5867 1 638 . 1 1 58 58 TYR HD1 H 1 7.171 0.000 . 2 . . . . . . . . 5867 1 639 . 1 1 58 58 TYR CD2 C 13 129.959 0.000 . 1 . . . . . . . . 5867 1 640 . 1 1 58 58 TYR CE1 C 13 116.140 0.000 . 1 . . . . . . . . 5867 1 641 . 1 1 58 58 TYR HE1 H 1 6.950 0.000 . 2 . . . . . . . . 5867 1 642 . 1 1 58 58 TYR CE2 C 13 116.140 0.000 . 1 . . . . . . . . 5867 1 643 . 1 1 59 59 VAL H H 1 7.148 0.000 . 1 . . . . . . . . 5867 1 644 . 1 1 59 59 VAL N N 15 107.390 0.000 . 1 . . . . . . . . 5867 1 645 . 1 1 59 59 VAL CA C 13 56.343 0.000 . 1 . . . . . . . . 5867 1 646 . 1 1 59 59 VAL HA H 1 5.397 0.000 . 1 . . . . . . . . 5867 1 647 . 1 1 59 59 VAL C C 13 171.810 0.000 . 1 . . . . . . . . 5867 1 648 . 1 1 59 59 VAL CB C 13 34.641 0.000 . 1 . . . . . . . . 5867 1 649 . 1 1 59 59 VAL HB H 1 2.142 0.000 . 1 . . . . . . . . 5867 1 650 . 1 1 59 59 VAL CG1 C 13 20.273 0.000 . 1 . . . . . . . . 5867 1 651 . 1 1 59 59 VAL HG11 H 1 0.362 0.000 . 1 . . . . . . . . 5867 1 652 . 1 1 59 59 VAL HG12 H 1 0.362 0.000 . 1 . . . . . . . . 5867 1 653 . 1 1 59 59 VAL HG13 H 1 0.362 0.000 . 1 . . . . . . . . 5867 1 654 . 1 1 59 59 VAL CG2 C 13 17.660 0.000 . 1 . . . . . . . . 5867 1 655 . 1 1 59 59 VAL HG21 H 1 0.761 0.000 . 1 . . . . . . . . 5867 1 656 . 1 1 59 59 VAL HG22 H 1 0.761 0.000 . 1 . . . . . . . . 5867 1 657 . 1 1 59 59 VAL HG23 H 1 0.761 0.000 . 1 . . . . . . . . 5867 1 658 . 1 1 60 60 LYS H H 1 8.882 0.000 . 1 . . . . . . . . 5867 1 659 . 1 1 60 60 LYS N N 15 117.716 0.000 . 1 . . . . . . . . 5867 1 660 . 1 1 60 60 LYS CA C 13 50.845 0.000 . 1 . . . . . . . . 5867 1 661 . 1 1 60 60 LYS HA H 1 5.214 0.000 . 1 . . . . . . . . 5867 1 662 . 1 1 60 60 LYS C C 13 170.156 0.000 . 1 . . . . . . . . 5867 1 663 . 1 1 60 60 LYS CB C 13 32.052 0.000 . 1 . . . . . . . . 5867 1 664 . 1 1 60 60 LYS HB2 H 1 1.886 0.000 . 1 . . . . . . . . 5867 1 665 . 1 1 60 60 LYS HB3 H 1 1.705 0.000 . 1 . . . . . . . . 5867 1 666 . 1 1 60 60 LYS CG C 13 21.052 0.000 . 1 . . . . . . . . 5867 1 667 . 1 1 60 60 LYS HG2 H 1 1.245 0.000 . 1 . . . . . . . . 5867 1 668 . 1 1 60 60 LYS CD C 13 27.260 0.000 . 1 . . . . . . . . 5867 1 669 . 1 1 60 60 LYS HD2 H 1 1.573 0.000 . 1 . . . . . . . . 5867 1 670 . 1 1 60 60 LYS CE C 13 39.700 0.000 . 1 . . . . . . . . 5867 1 671 . 1 1 60 60 LYS HE2 H 1 2.741 0.000 . 1 . . . . . . . . 5867 1 672 . 1 1 61 61 PRO CA C 13 60.917 0.000 . 1 . . . . . . . . 5867 1 673 . 1 1 61 61 PRO HA H 1 3.455 0.000 . 1 . . . . . . . . 5867 1 674 . 1 1 61 61 PRO C C 13 174.106 0.000 . 1 . . . . . . . . 5867 1 675 . 1 1 61 61 PRO CB C 13 29.186 0.000 . 1 . . . . . . . . 5867 1 676 . 1 1 61 61 PRO HB2 H 1 1.963 0.000 . 1 . . . . . . . . 5867 1 677 . 1 1 61 61 PRO HB3 H 1 1.639 0.000 . 1 . . . . . . . . 5867 1 678 . 1 1 61 61 PRO CG C 13 25.338 0.000 . 1 . . . . . . . . 5867 1 679 . 1 1 61 61 PRO HG2 H 1 2.066 0.000 . 1 . . . . . . . . 5867 1 680 . 1 1 61 61 PRO HG3 H 1 1.960 0.000 . 1 . . . . . . . . 5867 1 681 . 1 1 61 61 PRO CD C 13 48.315 0.000 . 1 . . . . . . . . 5867 1 682 . 1 1 61 61 PRO HD2 H 1 3.668 0.000 . 1 . . . . . . . . 5867 1 683 . 1 1 61 61 PRO HD3 H 1 4.024 0.000 . 1 . . . . . . . . 5867 1 684 . 1 1 62 62 LYS H H 1 7.744 0.000 . 1 . . . . . . . . 5867 1 685 . 1 1 62 62 LYS N N 15 123.092 0.000 . 1 . . . . . . . . 5867 1 686 . 1 1 62 62 LYS CA C 13 55.470 0.000 . 1 . . . . . . . . 5867 1 687 . 1 1 62 62 LYS HA H 1 3.838 0.000 . 1 . . . . . . . . 5867 1 688 . 1 1 62 62 LYS C C 13 173.755 0.000 . 1 . . . . . . . . 5867 1 689 . 1 1 62 62 LYS CB C 13 31.460 0.000 . 1 . . . . . . . . 5867 1 690 . 1 1 62 62 LYS HB2 H 1 1.553 0.000 . 1 . . . . . . . . 5867 1 691 . 1 1 62 62 LYS HB3 H 1 1.128 0.000 . 1 . . . . . . . . 5867 1 692 . 1 1 62 62 LYS CG C 13 22.931 0.000 . 1 . . . . . . . . 5867 1 693 . 1 1 62 62 LYS HG2 H 1 1.216 0.000 . 1 . . . . . . . . 5867 1 694 . 1 1 62 62 LYS CD C 13 27.696 0.000 . 1 . . . . . . . . 5867 1 695 . 1 1 62 62 LYS HD2 H 1 1.479 0.000 . 1 . . . . . . . . 5867 1 696 . 1 1 62 62 LYS HD3 H 1 1.391 0.000 . 1 . . . . . . . . 5867 1 697 . 1 1 62 62 LYS CE C 13 39.753 0.000 . 1 . . . . . . . . 5867 1 698 . 1 1 62 62 LYS HE2 H 1 2.791 0.000 . 1 . . . . . . . . 5867 1 699 . 1 1 63 63 ASP H H 1 8.348 0.000 . 1 . . . . . . . . 5867 1 700 . 1 1 63 63 ASP N N 15 122.527 0.000 . 1 . . . . . . . . 5867 1 701 . 1 1 63 63 ASP CA C 13 51.759 0.000 . 1 . . . . . . . . 5867 1 702 . 1 1 63 63 ASP HA H 1 4.559 0.000 . 1 . . . . . . . . 5867 1 703 . 1 1 63 63 ASP C C 13 173.522 0.000 . 1 . . . . . . . . 5867 1 704 . 1 1 63 63 ASP CB C 13 38.984 0.000 . 1 . . . . . . . . 5867 1 705 . 1 1 63 63 ASP HB2 H 1 2.622 0.000 . 1 . . . . . . . . 5867 1 706 . 1 1 63 63 ASP HB3 H 1 2.508 0.000 . 1 . . . . . . . . 5867 1 707 . 1 1 64 64 SER H H 1 8.195 0.000 . 1 . . . . . . . . 5867 1 708 . 1 1 64 64 SER N N 15 116.574 0.000 . 1 . . . . . . . . 5867 1 709 . 1 1 64 64 SER CA C 13 56.061 0.000 . 1 . . . . . . . . 5867 1 710 . 1 1 64 64 SER HA H 1 4.384 0.000 . 1 . . . . . . . . 5867 1 711 . 1 1 64 64 SER C C 13 172.416 0.000 . 1 . . . . . . . . 5867 1 712 . 1 1 64 64 SER CB C 13 61.664 0.000 . 1 . . . . . . . . 5867 1 713 . 1 1 64 64 SER HB2 H 1 3.844 0.000 . 1 . . . . . . . . 5867 1 714 . 1 1 64 64 SER HB3 H 1 3.773 0.000 . 1 . . . . . . . . 5867 1 715 . 1 1 65 65 GLY H H 1 8.264 0.000 . 1 . . . . . . . . 5867 1 716 . 1 1 65 65 GLY N N 15 110.464 0.000 . 1 . . . . . . . . 5867 1 717 . 1 1 65 65 GLY CA C 13 42.626 0.000 . 1 . . . . . . . . 5867 1 718 . 1 1 65 65 GLY HA3 H 1 4.014 0.000 . 1 . . . . . . . . 5867 1 719 . 1 1 65 65 GLY C C 13 169.581 0.000 . 1 . . . . . . . . 5867 1 720 . 1 1 65 65 GLY HA2 H 1 3.811 0.000 . 1 . . . . . . . . 5867 1 721 . 1 1 66 66 PRO CA C 13 60.888 0.000 . 1 . . . . . . . . 5867 1 722 . 1 1 66 66 PRO HA H 1 4.414 0.000 . 1 . . . . . . . . 5867 1 723 . 1 1 66 66 PRO C C 13 175.121 0.000 . 1 . . . . . . . . 5867 1 724 . 1 1 66 66 PRO CB C 13 29.933 0.000 . 1 . . . . . . . . 5867 1 725 . 1 1 66 66 PRO HB2 H 1 2.227 0.000 . 1 . . . . . . . . 5867 1 726 . 1 1 66 66 PRO HB3 H 1 1.911 0.000 . 1 . . . . . . . . 5867 1 727 . 1 1 66 66 PRO CG C 13 24.900 0.000 . 1 . . . . . . . . 5867 1 728 . 1 1 66 66 PRO HG2 H 1 1.953 0.000 . 1 . . . . . . . . 5867 1 729 . 1 1 66 66 PRO CD C 13 47.441 0.000 . 1 . . . . . . . . 5867 1 730 . 1 1 66 66 PRO HD2 H 1 3.564 0.000 . 1 . . . . . . . . 5867 1 731 . 1 1 67 67 SER H H 1 8.443 0.000 . 1 . . . . . . . . 5867 1 732 . 1 1 67 67 SER N N 15 116.116 0.000 . 1 . . . . . . . . 5867 1 733 . 1 1 67 67 SER CA C 13 56.060 0.000 . 1 . . . . . . . . 5867 1 734 . 1 1 67 67 SER HA H 1 4.420 0.000 . 1 . . . . . . . . 5867 1 735 . 1 1 67 67 SER C C 13 172.397 0.000 . 1 . . . . . . . . 5867 1 736 . 1 1 67 67 SER CB C 13 61.571 0.000 . 1 . . . . . . . . 5867 1 737 . 1 1 67 67 SER HB2 H 1 3.842 0.000 . 1 . . . . . . . . 5867 1 738 . 1 1 68 68 SER H H 1 8.266 0.000 . 1 . . . . . . . . 5867 1 739 . 1 1 68 68 SER N N 15 117.582 0.000 . 1 . . . . . . . . 5867 1 740 . 1 1 68 68 SER CA C 13 56.066 0.000 . 1 . . . . . . . . 5867 1 741 . 1 1 68 68 SER HA H 1 4.424 0.000 . 1 . . . . . . . . 5867 1 742 . 1 1 68 68 SER C C 13 171.630 0.000 . 1 . . . . . . . . 5867 1 743 . 1 1 68 68 SER CB C 13 61.816 0.000 . 1 . . . . . . . . 5867 1 744 . 1 1 68 68 SER HB2 H 1 3.832 0.000 . 1 . . . . . . . . 5867 1 745 . 1 1 69 69 GLY H H 1 7.975 0.000 . 1 . . . . . . . . 5867 1 746 . 1 1 69 69 GLY N N 15 116.523 0.000 . 1 . . . . . . . . 5867 1 747 . 1 1 69 69 GLY CA C 13 43.887 0.000 . 1 . . . . . . . . 5867 1 748 . 1 1 69 69 GLY C C 13 176.690 0.000 . 1 . . . . . . . . 5867 1 stop_ save_