data_50329 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50329 _Entry.Title ; NPAT ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-17 _Entry.Accession_date 2020-06-17 _Entry.Last_release_date 2020-06-17 _Entry.Original_release_date 2020-06-17 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'assigned chemical shift for 1397-1426 fragment of the NPAT protein' _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.ORCID _Entry_author.Entry_ID 1 Katarzyna Bucholc . . . 0000-0002-6475-953X 50329 2 Aleksandra Skrajna . . . 0000-0002-4552-5981 50329 3 Kinga Adamska . . . 0000-0002-6643-6814 50329 4 Xiao-Cui Yang . . . . 50329 5 Krzysztof Krajewski . . . 0000-0001-7159-617X 50329 6 Jaroslaw Poznanski . . . 0000-0003-2684-1775 50329 7 Michal Dadlez . . . 0000-0001-8811-5176 50329 8 Zbigniew Dominski . . . 0000-0001-5100-7796 50329 9 Igor Zhukov . . . 0000-0002-9912-1018 50329 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Institute of Biochemistry and Biophysics, Polish Academy of Sciences' . 50329 2 . 'Department of Biochemistry and Biophysics, University of North Caroline at Chapel Hill' . 50329 3 . 'NanoBioMedical Centre, Adam Mickiewicz University' . 50329 4 . 'Integrative Program for Biological and Genome Sciences, University of North Caroline at Chapel Hill' . 50329 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50329 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 128 50329 '15N chemical shifts' 29 50329 '1H chemical shifts' 247 50329 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 . . 2020-08-25 . original BMRB . 50329 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50329 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 32722282 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural Analysis of the SANT/Myb Domain of FLASH and YARP Proteins and Their Complex with the C-Terminal Fragment of NPAT by NMR Spectroscopy and Computer Simulations ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Int. J. Mol. Sci.' _Citation.Journal_name_full 'International journal of molecular sciences' _Citation.Journal_volume 21 _Citation.Journal_issue 15 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1422-0067 _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 5268 _Citation.Page_last 5268 _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Katarzyna Bucholc . . . . 50329 1 2 Aleksandra Skrajna . . . . 50329 1 3 Kinga Adamska . . . . 50329 1 4 Xiao-Cui Yang . . . . 50329 1 5 Krzysztof Krajewski . . . . 50329 1 6 Jaroslaw Poznanski . . . . 50329 1 7 Michal Dadlez . . . . 50329 1 8 Zbigniew Dominski . . . . 50329 1 9 Igor Zhukov . . . . 50329 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Histone Locus Body, SANT domain, Myb DNA binding domain, NMR spectroscopy' 50329 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50329 _Assembly.ID 1 _Assembly.Name NPAT _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _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 NPAT 1 $entity_1 . . yes native no no . . . 50329 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50329 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; KKKKIKKKKLPSSFPAGMDV DKFLLSLHYDE ; _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 31 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 yes UNP Q14207 . NPAT . . . . . . . . . . . . . . 50329 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Required for progression through the G1 and S phases of the cell cycle and for S phase entry' 50329 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 1397 LYS . 50329 1 2 1398 LYS . 50329 1 3 1399 LYS . 50329 1 4 1400 LYS . 50329 1 5 1401 ILE . 50329 1 6 1402 LYS . 50329 1 7 1403 LYS . 50329 1 8 1404 LYS . 50329 1 9 1405 LYS . 50329 1 10 1406 LEU . 50329 1 11 1407 PRO . 50329 1 12 1408 SER . 50329 1 13 1409 SER . 50329 1 14 1410 PHE . 50329 1 15 1411 PRO . 50329 1 16 1412 ALA . 50329 1 17 1413 GLY . 50329 1 18 1414 MET . 50329 1 19 1415 ASP . 50329 1 20 1416 VAL . 50329 1 21 1417 ASP . 50329 1 22 1418 LYS . 50329 1 23 1419 PHE . 50329 1 24 1420 LEU . 50329 1 25 1421 LEU . 50329 1 26 1422 SER . 50329 1 27 1423 LEU . 50329 1 28 1424 HIS . 50329 1 29 1425 TYR . 50329 1 30 1426 ASP . 50329 1 31 1427 GLU . 50329 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 . LYS 1 1 50329 1 . LYS 2 2 50329 1 . LYS 3 3 50329 1 . LYS 4 4 50329 1 . ILE 5 5 50329 1 . LYS 6 6 50329 1 . LYS 7 7 50329 1 . LYS 8 8 50329 1 . LYS 9 9 50329 1 . LEU 10 10 50329 1 . PRO 11 11 50329 1 . SER 12 12 50329 1 . SER 13 13 50329 1 . PHE 14 14 50329 1 . PRO 15 15 50329 1 . ALA 16 16 50329 1 . GLY 17 17 50329 1 . MET 18 18 50329 1 . ASP 19 19 50329 1 . VAL 20 20 50329 1 . ASP 21 21 50329 1 . LYS 22 22 50329 1 . PHE 23 23 50329 1 . LEU 24 24 50329 1 . LEU 25 25 50329 1 . SER 26 26 50329 1 . LEU 27 27 50329 1 . HIS 28 28 50329 1 . TYR 29 29 50329 1 . ASP 30 30 50329 1 . GLU 31 31 50329 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50329 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50329 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50329 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 50329 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50329 _Sample.ID 1 _Sample.Name NPAT_1397 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'fragment 1397-1427' _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '25 mM TRIS-d11, 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 NPAT 'natural abundance' . . 1 $entity_1 . . 1.5 . . mM 0.3 . . . 50329 1 2 TRIS-d11 'natural abundance' . . . . . . 25 . . mM . . . . 50329 1 3 KCl 'natural abundance' . . . . . . 250 . . mM . . . . 50329 1 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 50329 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_1 _Sample_condition_list.Details '25 mM TRIS-d11, 90%/10% H2O/D2O, 250 mM KCl, pH 6.2' 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' 250 10 mM 50329 1 pH 6.2 0.1 pH 50329 1 pressure 1 . atm 50329 1 temperature 298 0.1 K 50329 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50329 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . processing 50329 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50329 _Software.ID 2 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 50329 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50329 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version 3.97 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure solution' 50329 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50329 _Software.ID 4 _Software.Type . _Software.Name YASARA _Software.Version 17.1 _Software.DOI . _Software.Details . loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 50329 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50329 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Agilent 800' _NMR_spectrometer.Details '1H/13C/15N probehead, z-gradient' _NMR_spectrometer.Manufacturer Agilent _NMR_spectrometer.Model 'Uniform NMR System' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50329 _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 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50329 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50329 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50329 1 4 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50329 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 50329 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50329 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.251449530 . . . . . 50329 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external direct 1 . . . . . 50329 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 external indirect 0.101329118 . . . . . 50329 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50329 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name npat_1397 _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 $chem_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 2 '2D 1H-1H NOESY' . . . 50329 1 3 '2D 1H-15N HSQC' . . . 50329 1 4 '2D 1H-13C HSQC aliphatic' . . . 50329 1 5 '2D 1H-13C HSQC aromatic' . . . 50329 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $software_2 . . 50329 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 LYS H H 1 8.27 0.02 . 1 . . . . . 1397 LYS H . 50329 1 2 . 1 . 1 1 1 LYS HA H 1 4.27 0.02 . 1 . . . . . 1397 LYS HA . 50329 1 3 . 1 . 1 1 1 LYS HB2 H 1 1.67 0.02 . 2 . . . . . 1397 LYS HB2 . 50329 1 4 . 1 . 1 1 1 LYS HB3 H 1 1.75 0.02 . 2 . . . . . 1397 LYS HB3 . 50329 1 5 . 1 . 1 1 1 LYS HG2 H 1 0.82 0.02 . 2 . . . . . 1397 LYS HG2 . 50329 1 6 . 1 . 1 1 1 LYS HG3 H 1 0.83 0.02 . 2 . . . . . 1397 LYS HG3 . 50329 1 7 . 1 . 1 1 1 LYS HD2 H 1 1.63 0.02 . 2 . . . . . 1397 LYS HD2 . 50329 1 8 . 1 . 1 1 1 LYS HD3 H 1 1.67 0.02 . 2 . . . . . 1397 LYS HD3 . 50329 1 9 . 1 . 1 1 1 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 1397 LYS HE2 . 50329 1 10 . 1 . 1 1 1 LYS HE3 H 1 2.93 0.02 . 2 . . . . . 1397 LYS HE3 . 50329 1 11 . 1 . 1 1 1 LYS CA C 13 58.85 0.20 . 1 . . . . . 1397 LYS CA . 50329 1 12 . 1 . 1 1 1 LYS CB C 13 33.26 0.20 . 1 . . . . . 1397 LYS CB . 50329 1 13 . 1 . 1 1 1 LYS CG C 13 25.03 0.20 . 1 . . . . . 1397 LYS CG . 50329 1 14 . 1 . 1 1 1 LYS CD C 13 27.20 0.20 . 1 . . . . . 1397 LYS CD . 50329 1 15 . 1 . 1 1 1 LYS CE C 13 41.98 0.20 . 1 . . . . . 1397 LYS CE . 50329 1 16 . 1 . 1 1 1 LYS N N 15 123.88 0.20 . 1 . . . . . 1397 LYS N . 50329 1 17 . 1 . 1 2 2 LYS H H 1 7.78 0.02 . 1 . . . . . 1398 LYS H . 50329 1 18 . 1 . 1 2 2 LYS HA H 1 4.13 0.02 . 1 . . . . . 1398 LYS HA . 50329 1 19 . 1 . 1 2 2 LYS HB2 H 1 1.55 0.02 . 2 . . . . . 1398 LYS HB2 . 50329 1 20 . 1 . 1 2 2 LYS HB3 H 1 1.68 0.02 . 2 . . . . . 1398 LYS HB3 . 50329 1 21 . 1 . 1 2 2 LYS HG2 H 1 0.82 0.02 . 2 . . . . . 1398 LYS HG2 . 50329 1 22 . 1 . 1 2 2 LYS HG3 H 1 0.83 0.02 . 2 . . . . . 1398 LYS HG3 . 50329 1 23 . 1 . 1 2 2 LYS HD2 H 1 0.84 0.02 . 2 . . . . . 1398 LYS HD2 . 50329 1 24 . 1 . 1 2 2 LYS HD3 H 1 1.67 0.02 . 2 . . . . . 1398 LYS HD3 . 50329 1 25 . 1 . 1 2 2 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 1398 LYS HE2 . 50329 1 26 . 1 . 1 2 2 LYS HE3 H 1 2.94 0.02 . 2 . . . . . 1398 LYS HE3 . 50329 1 27 . 1 . 1 2 2 LYS CA C 13 56.45 0.20 . 1 . . . . . 1398 LYS CA . 50329 1 28 . 1 . 1 2 2 LYS CB C 13 33.26 0.20 . 1 . . . . . 1398 LYS CB . 50329 1 29 . 1 . 1 2 2 LYS CG C 13 24.98 0.20 . 1 . . . . . 1398 LYS CG . 50329 1 30 . 1 . 1 2 2 LYS CD C 13 27.05 0.20 . 1 . . . . . 1398 LYS CD . 50329 1 31 . 1 . 1 2 2 LYS CE C 13 42.13 0.20 . 1 . . . . . 1398 LYS CE . 50329 1 32 . 1 . 1 2 2 LYS N N 15 123.31 0.20 . 1 . . . . . 1398 LYS N . 50329 1 33 . 1 . 1 3 3 LYS H H 1 8.29 0.02 . 1 . . . . . 1399 LYS H . 50329 1 34 . 1 . 1 3 3 LYS HA H 1 4.27 0.02 . 1 . . . . . 1399 LYS HA . 50329 1 35 . 1 . 1 3 3 LYS HB2 H 1 1.67 0.02 . 2 . . . . . 1399 LYS HB2 . 50329 1 36 . 1 . 1 3 3 LYS HB3 H 1 1.73 0.02 . 2 . . . . . 1399 LYS HB3 . 50329 1 37 . 1 . 1 3 3 LYS HG2 H 1 0.83 0.02 . 2 . . . . . 1399 LYS HG2 . 50329 1 38 . 1 . 1 3 3 LYS HG3 H 1 1.39 0.02 . 2 . . . . . 1399 LYS HG3 . 50329 1 39 . 1 . 1 3 3 LYS HD2 H 1 1.63 0.02 . 2 . . . . . 1399 LYS HD2 . 50329 1 40 . 1 . 1 3 3 LYS HD3 H 1 1.66 0.02 . 2 . . . . . 1399 LYS HD3 . 50329 1 41 . 1 . 1 3 3 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 1399 LYS HE2 . 50329 1 42 . 1 . 1 3 3 LYS HE3 H 1 2.93 0.02 . 2 . . . . . 1399 LYS HE3 . 50329 1 43 . 1 . 1 3 3 LYS CA C 13 58.87 0.20 . 1 . . . . . 1399 LYS CA . 50329 1 44 . 1 . 1 3 3 LYS CB C 13 33.25 0.20 . 1 . . . . . 1399 LYS CB . 50329 1 45 . 1 . 1 3 3 LYS CG C 13 24.97 0.20 . 1 . . . . . 1399 LYS CG . 50329 1 46 . 1 . 1 3 3 LYS CD C 13 29.15 0.20 . 1 . . . . . 1399 LYS CD . 50329 1 47 . 1 . 1 3 3 LYS CE C 13 42.11 0.20 . 1 . . . . . 1399 LYS CE . 50329 1 48 . 1 . 1 3 3 LYS N N 15 123.74 0.20 . 1 . . . . . 1399 LYS N . 50329 1 49 . 1 . 1 4 4 LYS H H 1 8.41 0.02 . 1 . . . . . 1400 LYS H . 50329 1 50 . 1 . 1 4 4 LYS HA H 1 4.26 0.02 . 1 . . . . . 1400 LYS HA . 50329 1 51 . 1 . 1 4 4 LYS HB2 H 1 1.67 0.02 . 2 . . . . . 1400 LYS HB2 . 50329 1 52 . 1 . 1 4 4 LYS HB3 H 1 1.74 0.02 . 2 . . . . . 1400 LYS HB3 . 50329 1 53 . 1 . 1 4 4 LYS HG2 H 1 0.82 0.02 . 2 . . . . . 1400 LYS HG2 . 50329 1 54 . 1 . 1 4 4 LYS HG3 H 1 0.84 0.02 . 2 . . . . . 1400 LYS HG3 . 50329 1 55 . 1 . 1 4 4 LYS HD2 H 1 1.63 0.02 . 2 . . . . . 1400 LYS HD2 . 50329 1 56 . 1 . 1 4 4 LYS HD3 H 1 1.64 0.02 . 2 . . . . . 1400 LYS HD3 . 50329 1 57 . 1 . 1 4 4 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 1400 LYS HE2 . 50329 1 58 . 1 . 1 4 4 LYS HE3 H 1 2.93 0.02 . 2 . . . . . 1400 LYS HE3 . 50329 1 59 . 1 . 1 4 4 LYS CA C 13 59.14 0.20 . 1 . . . . . 1400 LYS CA . 50329 1 60 . 1 . 1 4 4 LYS CB C 13 33.25 0.20 . 1 . . . . . 1400 LYS CB . 50329 1 61 . 1 . 1 4 4 LYS CG C 13 24.97 0.20 . 1 . . . . . 1400 LYS CG . 50329 1 62 . 1 . 1 4 4 LYS CD C 13 27.12 0.20 . 1 . . . . . 1400 LYS CD . 50329 1 63 . 1 . 1 4 4 LYS CE C 13 42.09 0.20 . 1 . . . . . 1400 LYS CE . 50329 1 64 . 1 . 1 4 4 LYS N N 15 123.72 0.20 . 1 . . . . . 1400 LYS N . 50329 1 65 . 1 . 1 5 5 ILE H H 1 8.22 0.02 . 1 . . . . . 1401 ILE H . 50329 1 66 . 1 . 1 5 5 ILE HA H 1 4.14 0.02 . 1 . . . . . 1401 ILE HA . 50329 1 67 . 1 . 1 5 5 ILE HB H 1 1.55 0.02 . 1 . . . . . 1401 ILE HB . 50329 1 68 . 1 . 1 5 5 ILE HG12 H 1 1.56 0.02 . 2 . . . . . 1401 ILE HG12 . 50329 1 69 . 1 . 1 5 5 ILE HG13 H 1 1.66 0.02 . 2 . . . . . 1401 ILE HG13 . 50329 1 70 . 1 . 1 5 5 ILE HG21 H 1 0.83 0.02 . 1 . . . . . 1401 ILE QG2 . 50329 1 71 . 1 . 1 5 5 ILE HG22 H 1 0.83 0.02 . 1 . . . . . 1401 ILE QG2 . 50329 1 72 . 1 . 1 5 5 ILE HG23 H 1 0.83 0.02 . 1 . . . . . 1401 ILE QG2 . 50329 1 73 . 1 . 1 5 5 ILE HD11 H 1 0.82 0.02 . 1 . . . . . 1401 ILE QD1 . 50329 1 74 . 1 . 1 5 5 ILE HD12 H 1 0.82 0.02 . 1 . . . . . 1401 ILE QD1 . 50329 1 75 . 1 . 1 5 5 ILE HD13 H 1 0.82 0.02 . 1 . . . . . 1401 ILE QD1 . 50329 1 76 . 1 . 1 5 5 ILE CA C 13 56.71 0.20 . 1 . . . . . 1401 ILE CA . 50329 1 77 . 1 . 1 5 5 ILE CB C 13 41.97 0.20 . 1 . . . . . 1401 ILE CB . 50329 1 78 . 1 . 1 5 5 ILE CG1 C 13 29.14 0.20 . 1 . . . . . 1401 ILE CG1 . 50329 1 79 . 1 . 1 5 5 ILE CG2 C 13 17.57 0.20 . 1 . . . . . 1401 ILE CG2 . 50329 1 80 . 1 . 1 5 5 ILE CD1 C 13 12.81 0.20 . 1 . . . . . 1401 ILE CD1 . 50329 1 81 . 1 . 1 5 5 ILE N N 15 124.87 0.20 . 1 . . . . . 1401 ILE N . 50329 1 82 . 1 . 1 6 6 LYS H H 1 7.78 0.02 . 1 . . . . . 1402 LYS H . 50329 1 83 . 1 . 1 6 6 LYS HA H 1 3.99 0.02 . 1 . . . . . 1402 LYS HA . 50329 1 84 . 1 . 1 6 6 LYS HB2 H 1 1.68 0.02 . 2 . . . . . 1402 LYS HB2 . 50329 1 85 . 1 . 1 6 6 LYS HB3 H 1 1.86 0.02 . 2 . . . . . 1402 LYS HB3 . 50329 1 86 . 1 . 1 6 6 LYS HG2 H 1 0.82 0.02 . 2 . . . . . 1402 LYS HG2 . 50329 1 87 . 1 . 1 6 6 LYS HG3 H 1 1.41 0.02 . 2 . . . . . 1402 LYS HG3 . 50329 1 88 . 1 . 1 6 6 LYS HD2 H 1 1.68 0.02 . 2 . . . . . 1402 LYS HD2 . 50329 1 89 . 1 . 1 6 6 LYS HD3 H 1 1.86 0.02 . 2 . . . . . 1402 LYS HD3 . 50329 1 90 . 1 . 1 6 6 LYS HE2 H 1 2.97 0.02 . 2 . . . . . 1402 LYS HE2 . 50329 1 91 . 1 . 1 6 6 LYS HE3 H 1 2.98 0.02 . 2 . . . . . 1402 LYS HE3 . 50329 1 92 . 1 . 1 6 6 LYS CA C 13 55.67 0.20 . 1 . . . . . 1402 LYS CA . 50329 1 93 . 1 . 1 6 6 LYS CB C 13 33.31 0.20 . 1 . . . . . 1402 LYS CB . 50329 1 94 . 1 . 1 6 6 LYS CG C 13 23.70 0.20 . 1 . . . . . 1402 LYS CG . 50329 1 95 . 1 . 1 6 6 LYS CD C 13 29.172 0.20 . 1 . . . . . 1402 LYS CD . 50329 1 96 . 1 . 1 6 6 LYS CE C 13 41.93 0.20 . 1 . . . . . 1402 LYS CE . 50329 1 97 . 1 . 1 6 6 LYS N N 15 119.58 0.20 . 1 . . . . . 1402 LYS N . 50329 1 98 . 1 . 1 7 7 LYS H H 1 8.28 0.02 . 1 . . . . . 1403 LYS H . 50329 1 99 . 1 . 1 7 7 LYS HA H 1 4.24 0.02 . 1 . . . . . 1403 LYS HA . 50329 1 100 . 1 . 1 7 7 LYS HB2 H 1 1.73 0.02 . 2 . . . . . 1403 LYS HB2 . 50329 1 101 . 1 . 1 7 7 LYS HB3 H 1 1.67 0.02 . 2 . . . . . 1403 LYS HB3 . 50329 1 102 . 1 . 1 7 7 LYS HG2 H 1 1.33 0.02 . 2 . . . . . 1403 LYS HG2 . 50329 1 103 . 1 . 1 7 7 LYS HG3 H 1 1.38 0.02 . 2 . . . . . 1403 LYS HG3 . 50329 1 104 . 1 . 1 7 7 LYS HD2 H 1 1.62 0.02 . 2 . . . . . 1403 LYS HD2 . 50329 1 105 . 1 . 1 7 7 LYS HD3 H 1 1.66 0.02 . 2 . . . . . 1403 LYS HD3 . 50329 1 106 . 1 . 1 7 7 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 1403 LYS HE2 . 50329 1 107 . 1 . 1 7 7 LYS HE3 H 1 2.93 0.02 . 2 . . . . . 1403 LYS HE3 . 50329 1 108 . 1 . 1 7 7 LYS CA C 13 56.20 0.20 . 1 . . . . . 1403 LYS CA . 50329 1 109 . 1 . 1 7 7 LYS CB C 13 33.27 0.20 . 1 . . . . . 1403 LYS CB . 50329 1 110 . 1 . 1 7 7 LYS CG C 13 24.93 0.20 . 1 . . . . . 1403 LYS CG . 50329 1 111 . 1 . 1 7 7 LYS CD C 13 26.98 0.20 . 1 . . . . . 1403 LYS CD . 50329 1 112 . 1 . 1 7 7 LYS CE C 13 42.12 0.20 . 1 . . . . . 1403 LYS CE . 50329 1 113 . 1 . 1 7 7 LYS N N 15 123.17 0.20 . 1 . . . . . 1403 LYS N . 50329 1 114 . 1 . 1 8 8 LYS H H 1 8.35 0.02 . 1 . . . . . 1404 LYS H . 50329 1 115 . 1 . 1 8 8 LYS HA H 1 4.27 0.02 . 1 . . . . . 1404 LYS HA . 50329 1 116 . 1 . 1 8 8 LYS HB2 H 1 1.39 0.02 . 2 . . . . . 1404 LYS HB2 . 50329 1 117 . 1 . 1 8 8 LYS HB3 H 1 1.74 0.02 . 2 . . . . . 1404 LYS HB3 . 50329 1 118 . 1 . 1 8 8 LYS HG2 H 1 1.33 0.02 . 2 . . . . . 1404 LYS HG2 . 50329 1 119 . 1 . 1 8 8 LYS HG3 H 1 1.39 0.02 . 2 . . . . . 1404 LYS HG3 . 50329 1 120 . 1 . 1 8 8 LYS HD2 H 1 1.63 0.02 . 2 . . . . . 1404 LYS HD2 . 50329 1 121 . 1 . 1 8 8 LYS HD3 H 1 1.67 0.02 . 2 . . . . . 1404 LYS HD3 . 50329 1 122 . 1 . 1 8 8 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 1404 LYS HE2 . 50329 1 123 . 1 . 1 8 8 LYS HE3 H 1 2.93 0.02 . 2 . . . . . 1404 LYS HE3 . 50329 1 124 . 1 . 1 8 8 LYS CA C 13 58.83 0.20 . 1 . . . . . 1404 LYS CA . 50329 1 125 . 1 . 1 8 8 LYS CB C 13 33.25 0.20 . 1 . . . . . 1404 LYS CB . 50329 1 126 . 1 . 1 8 8 LYS CG C 13 24.90 0.20 . 1 . . . . . 1404 LYS CG . 50329 1 127 . 1 . 1 8 8 LYS CD C 13 29.15 0.20 . 1 . . . . . 1404 LYS CD . 50329 1 128 . 1 . 1 8 8 LYS CE C 13 42.13 0.20 . 1 . . . . . 1404 LYS CE . 50329 1 129 . 1 . 1 8 8 LYS N N 15 123.85 0.20 . 1 . . . . . 1404 LYS N . 50329 1 130 . 1 . 1 9 9 LYS H H 1 8.41 0.02 . 1 . . . . . 1405 LYS H . 50329 1 131 . 1 . 1 9 9 LYS HA H 1 4.27 0.02 . 1 . . . . . 1405 LYS HA . 50329 1 132 . 1 . 1 9 9 LYS HB2 H 1 1.67 0.02 . 2 . . . . . 1405 LYS HB2 . 50329 1 133 . 1 . 1 9 9 LYS HB3 H 1 1.73 0.02 . 2 . . . . . 1405 LYS HB3 . 50329 1 134 . 1 . 1 9 9 LYS HG2 H 1 1.34 0.02 . 2 . . . . . 1405 LYS HG2 . 50329 1 135 . 1 . 1 9 9 LYS HG3 H 1 1.34 0.02 . 2 . . . . . 1405 LYS HG3 . 50329 1 136 . 1 . 1 9 9 LYS HD2 H 1 1.40 0.02 . 2 . . . . . 1405 LYS HD2 . 50329 1 137 . 1 . 1 9 9 LYS HD3 H 1 1.65 0.02 . 2 . . . . . 1405 LYS HD3 . 50329 1 138 . 1 . 1 9 9 LYS HE2 H 1 2.93 0.02 . 2 . . . . . 1405 LYS HE2 . 50329 1 139 . 1 . 1 9 9 LYS HE3 H 1 2.93 0.02 . 2 . . . . . 1405 LYS HE3 . 50329 1 140 . 1 . 1 9 9 LYS CA C 13 56.23 0.20 . 1 . . . . . 1405 LYS CA . 50329 1 141 . 1 . 1 9 9 LYS CB C 13 33.25 0.20 . 1 . . . . . 1405 LYS CB . 50329 1 142 . 1 . 1 9 9 LYS CG C 13 24.97 0.20 . 1 . . . . . 1405 LYS CG . 50329 1 143 . 1 . 1 9 9 LYS CD C 13 27.08 0.20 . 1 . . . . . 1405 LYS CD . 50329 1 144 . 1 . 1 9 9 LYS CE C 13 42.09 0.20 . 1 . . . . . 1405 LYS CE . 50329 1 145 . 1 . 1 9 9 LYS N N 15 123.88 0.20 . 1 . . . . . 1405 LYS N . 50329 1 146 . 1 . 1 10 10 LEU H H 1 8.22 0.02 . 1 . . . . . 1406 LEU H . 50329 1 147 . 1 . 1 10 10 LEU HA H 1 4.53 0.02 . 1 . . . . . 1406 LEU HA . 50329 1 148 . 1 . 1 10 10 LEU HB2 H 1 1.55 0.02 . 2 . . . . . 1406 LEU HB2 . 50329 1 149 . 1 . 1 10 10 LEU HB3 H 1 1.46 0.02 . 2 . . . . . 1406 LEU HB3 . 50329 1 150 . 1 . 1 10 10 LEU HG H 1 1.62 0.02 . 1 . . . . . 1406 LEU HG . 50329 1 151 . 1 . 1 10 10 LEU HD11 H 1 0.85 0.02 . 2 . . . . . 1406 LEU QD1 . 50329 1 152 . 1 . 1 10 10 LEU HD12 H 1 0.85 0.02 . 2 . . . . . 1406 LEU QD1 . 50329 1 153 . 1 . 1 10 10 LEU HD13 H 1 0.85 0.02 . 2 . . . . . 1406 LEU QD1 . 50329 1 154 . 1 . 1 10 10 LEU HD21 H 1 0.82 0.02 . 2 . . . . . 1406 LEU QD2 . 50329 1 155 . 1 . 1 10 10 LEU HD22 H 1 0.82 0.02 . 2 . . . . . 1406 LEU QD2 . 50329 1 156 . 1 . 1 10 10 LEU HD23 H 1 0.82 0.02 . 2 . . . . . 1406 LEU QD2 . 50329 1 157 . 1 . 1 10 10 LEU CA C 13 52.90 0.20 . 1 . . . . . 1406 LEU CA . 50329 1 158 . 1 . 1 10 10 LEU CB C 13 41.91 0.20 . 1 . . . . . 1406 LEU CB . 50329 1 159 . 1 . 1 10 10 LEU CG C 13 25.32 0.20 . 1 . . . . . 1406 LEU CG . 50329 1 160 . 1 . 1 10 10 LEU CD1 C 13 25.44 0.20 . 1 . . . . . 1406 LEU CD1 . 50329 1 161 . 1 . 1 10 10 LEU CD2 C 13 21.36 0.20 . 1 . . . . . 1406 LEU CD2 . 50329 1 162 . 1 . 1 10 10 LEU N N 15 124.97 0.20 . 1 . . . . . 1406 LEU N . 50329 1 163 . 1 . 1 11 11 PRO HA H 1 4.38 0.02 . 1 . . . . . 1407 PRO HA . 50329 1 164 . 1 . 1 11 11 PRO HB2 H 1 1.83 0.02 . 2 . . . . . 1407 PRO HB2 . 50329 1 165 . 1 . 1 11 11 PRO HB3 H 1 2.24 0.02 . 2 . . . . . 1407 PRO HB3 . 50329 1 166 . 1 . 1 11 11 PRO HG2 H 1 1.87 0.02 . 2 . . . . . 1407 PRO HG2 . 50329 1 167 . 1 . 1 11 11 PRO HG3 H 1 1.91 0.02 . 2 . . . . . 1407 PRO HG3 . 50329 1 168 . 1 . 1 11 11 PRO HD2 H 1 3.44 0.02 . 2 . . . . . 1407 PRO HD2 . 50329 1 169 . 1 . 1 11 11 PRO HD3 H 1 4.38 0.02 . 2 . . . . . 1407 PRO HD3 . 50329 1 170 . 1 . 1 11 11 PRO CA C 13 63.07 0.20 . 1 . . . . . 1407 PRO CA . 50329 1 171 . 1 . 1 11 11 PRO CB C 13 32.09 0.20 . 1 . . . . . 1407 PRO CB . 50329 1 172 . 1 . 1 11 11 PRO CG C 13 27.46 0.20 . 1 . . . . . 1407 PRO CG . 50329 1 173 . 1 . 1 11 11 PRO CD C 13 50.36 0.20 . 1 . . . . . 1407 PRO CD . 50329 1 174 . 1 . 1 12 12 SER H H 1 8.32 0.02 . 1 . . . . . 1408 SER H . 50329 1 175 . 1 . 1 12 12 SER HA H 1 4.30 0.02 . 1 . . . . . 1408 SER HA . 50329 1 176 . 1 . 1 12 12 SER HB2 H 1 3.78 0.02 . 2 . . . . . 1408 SER HB2 . 50329 1 177 . 1 . 1 12 12 SER HB3 H 1 3.84 0.02 . 2 . . . . . 1408 SER HB3 . 50329 1 178 . 1 . 1 12 12 SER CA C 13 58.87 0.20 . 1 . . . . . 1408 SER CA . 50329 1 179 . 1 . 1 12 12 SER CB C 13 63.67 0.20 . 1 . . . . . 1408 SER CB . 50329 1 180 . 1 . 1 12 12 SER N N 15 115.12 0.20 . 1 . . . . . 1408 SER N . 50329 1 181 . 1 . 1 13 13 SER H H 1 7.83 0.02 . 1 . . . . . 1409 SER H . 50329 1 182 . 1 . 1 13 13 SER HA H 1 4.34 0.02 . 1 . . . . . 1409 SER HA . 50329 1 183 . 1 . 1 13 13 SER HB2 H 1 3.09 0.02 . 2 . . . . . 1409 SER HB2 . 50329 1 184 . 1 . 1 13 13 SER HB3 H 1 4.34 0.02 . 2 . . . . . 1409 SER HB3 . 50329 1 185 . 1 . 1 13 13 SER CA C 13 57.93 0.20 . 1 . . . . . 1409 SER CA . 50329 1 186 . 1 . 1 13 13 SER CB C 13 59.92 0.20 . 1 . . . . . 1409 SER CB . 50329 1 187 . 1 . 1 13 13 SER N N 15 115.80 0.20 . 1 . . . . . 1409 SER N . 50329 1 188 . 1 . 1 14 14 PHE H H 1 8.07 0.02 . 1 . . . . . 1410 PHE H . 50329 1 189 . 1 . 1 14 14 PHE HA H 1 4.70 0.02 . 1 . . . . . 1410 PHE HA . 50329 1 190 . 1 . 1 14 14 PHE HB2 H 1 2.77 0.02 . 2 . . . . . 1410 PHE HB2 . 50329 1 191 . 1 . 1 14 14 PHE HB3 H 1 2.98 0.02 . 2 . . . . . 1410 PHE HB3 . 50329 1 192 . 1 . 1 14 14 PHE HD1 H 1 7.11 0.02 . 1 . . . . . 1410 PHE HD1 . 50329 1 193 . 1 . 1 14 14 PHE HD2 H 1 7.12 0.02 . 1 . . . . . 1410 PHE HD2 . 50329 1 194 . 1 . 1 14 14 PHE HE1 H 1 7.13 0.02 . 1 . . . . . 1410 PHE HE1 . 50329 1 195 . 1 . 1 14 14 PHE HE2 H 1 8.08 0.02 . 1 . . . . . 1410 PHE HE2 . 50329 1 196 . 1 . 1 14 14 PHE HZ H 1 7.13 0.02 . 1 . . . . . 1410 PHE HZ . 50329 1 197 . 1 . 1 14 14 PHE CA C 13 55.55 0.20 . 1 . . . . . 1410 PHE CA . 50329 1 198 . 1 . 1 14 14 PHE CB C 13 39.20 0.20 . 1 . . . . . 1410 PHE CB . 50329 1 199 . 1 . 1 14 14 PHE CD1 C 13 129.59 0.20 . 1 . . . . . 1410 PHE CD1 . 50329 1 200 . 1 . 1 14 14 PHE CD2 C 13 131.79 0.20 . 1 . . . . . 1410 PHE CD2 . 50329 1 201 . 1 . 1 14 14 PHE CE1 C 13 131.22 0.20 . 1 . . . . . 1410 PHE CE1 . 50329 1 202 . 1 . 1 14 14 PHE CE2 C 13 131.71 0.20 . 1 . . . . . 1410 PHE CE2 . 50329 1 203 . 1 . 1 14 14 PHE CZ C 13 129.77 0.20 . 1 . . . . . 1410 PHE CZ . 50329 1 204 . 1 . 1 14 14 PHE N N 15 120.34 0.20 . 1 . . . . . 1410 PHE N . 50329 1 205 . 1 . 1 15 15 PRO HA H 1 4.33 0.02 . 1 . . . . . 1411 PRO HA . 50329 1 206 . 1 . 1 15 15 PRO HB2 H 1 1.81 0.02 . 2 . . . . . 1411 PRO HB2 . 50329 1 207 . 1 . 1 15 15 PRO HB3 H 1 2.19 0.02 . 2 . . . . . 1411 PRO HB3 . 50329 1 208 . 1 . 1 15 15 PRO HG2 H 1 1.87 0.02 . 2 . . . . . 1411 PRO HG2 . 50329 1 209 . 1 . 1 15 15 PRO HG3 H 1 1.88 0.02 . 2 . . . . . 1411 PRO HG3 . 50329 1 210 . 1 . 1 15 15 PRO HD2 H 1 3.34 0.02 . 2 . . . . . 1411 PRO HD2 . 50329 1 211 . 1 . 1 15 15 PRO HD3 H 1 4.33 0.02 . 2 . . . . . 1411 PRO HD3 . 50329 1 212 . 1 . 1 15 15 PRO CA C 13 63.01 0.20 . 1 . . . . . 1411 PRO CA . 50329 1 213 . 1 . 1 15 15 PRO CB C 13 31.98 0.20 . 1 . . . . . 1411 PRO CB . 50329 1 214 . 1 . 1 15 15 PRO CG C 13 27.46 0.20 . 1 . . . . . 1411 PRO CG . 50329 1 215 . 1 . 1 15 15 PRO CD C 13 50.64 0.20 . 1 . . . . . 1411 PRO CD . 50329 1 216 . 1 . 1 16 16 ALA H H 1 8.26 0.02 . 1 . . . . . 1412 ALA H . 50329 1 217 . 1 . 1 16 16 ALA HA H 1 4.18 0.02 . 1 . . . . . 1412 ALA HA . 50329 1 218 . 1 . 1 16 16 ALA HB1 H 1 1.34 0.02 . 1 . . . . . 1412 ALA HB . 50329 1 219 . 1 . 1 16 16 ALA HB2 H 1 1.34 0.02 . 1 . . . . . 1412 ALA HB . 50329 1 220 . 1 . 1 16 16 ALA HB3 H 1 1.34 0.02 . 1 . . . . . 1412 ALA HB . 50329 1 221 . 1 . 1 16 16 ALA CA C 13 53.04 0.20 . 1 . . . . . 1412 ALA CA . 50329 1 222 . 1 . 1 16 16 ALA CB C 13 18.92 0.20 . 1 . . . . . 1412 ALA CB . 50329 1 223 . 1 . 1 16 16 ALA N N 15 124.10 0.20 . 1 . . . . . 1412 ALA N . 50329 1 224 . 1 . 1 17 17 GLY H H 1 8.45 0.02 . 1 . . . . . 1413 GLY H . 50329 1 225 . 1 . 1 17 17 GLY HA2 H 1 3.79 0.02 . 2 . . . . . 1413 GLY HA2 . 50329 1 226 . 1 . 1 17 17 GLY HA3 H 1 3.98 0.02 . 2 . . . . . 1413 GLY HA3 . 50329 1 227 . 1 . 1 17 17 GLY CA C 13 45.47 0.20 . 1 . . . . . 1413 GLY CA . 50329 1 228 . 1 . 1 17 17 GLY N N 15 108.48 0.20 . 1 . . . . . 1413 GLY N . 50329 1 229 . 1 . 1 18 18 MET H H 1 7.79 0.02 . 1 . . . . . 1414 MET H . 50329 1 230 . 1 . 1 18 18 MET HA H 1 4.38 0.02 . 1 . . . . . 1414 MET HA . 50329 1 231 . 1 . 1 18 18 MET HB2 H 1 1.92 0.02 . 2 . . . . . 1414 MET HB2 . 50329 1 232 . 1 . 1 18 18 MET HB3 H 1 1.92 0.02 . 2 . . . . . 1414 MET HB3 . 50329 1 233 . 1 . 1 18 18 MET HG2 H 1 2.36 0.02 . 2 . . . . . 1414 MET HG2 . 50329 1 234 . 1 . 1 18 18 MET HG3 H 1 2.40 0.02 . 2 . . . . . 1414 MET HG3 . 50329 1 235 . 1 . 1 18 18 MET HE1 H 1 0.63 0.02 . 1 . . . . . 1414 MET HE . 50329 1 236 . 1 . 1 18 18 MET HE2 H 1 0.63 0.02 . 1 . . . . . 1414 MET HE . 50329 1 237 . 1 . 1 18 18 MET HE3 H 1 0.63 0.02 . 1 . . . . . 1414 MET HE . 50329 1 238 . 1 . 1 18 18 MET CA C 13 56.37 0.20 . 1 . . . . . 1414 MET CA . 50329 1 239 . 1 . 1 18 18 MET CB C 13 33.69 0.20 . 1 . . . . . 1414 MET CB . 50329 1 240 . 1 . 1 18 18 MET CG C 13 32.12 0.20 . 1 . . . . . 1414 MET CG . 50329 1 241 . 1 . 1 18 18 MET CE C 13 17.150 0.20 . 1 . . . . . 1414 MET CE . 50329 1 242 . 1 . 1 18 18 MET N N 15 119.52 0.20 . 1 . . . . . 1414 MET N . 50329 1 243 . 1 . 1 19 19 ASP H H 1 8.28 0.02 . 1 . . . . . 1415 ASP H . 50329 1 244 . 1 . 1 19 19 ASP HA H 1 4.57 0.02 . 1 . . . . . 1415 ASP HA . 50329 1 245 . 1 . 1 19 19 ASP HB2 H 1 2.59 0.02 . 2 . . . . . 1415 ASP HB2 . 50329 1 246 . 1 . 1 19 19 ASP HB3 H 1 2.74 0.02 . 2 . . . . . 1415 ASP HB3 . 50329 1 247 . 1 . 1 19 19 ASP CA C 13 54.22 0.20 . 1 . . . . . 1415 ASP CA . 50329 1 248 . 1 . 1 19 19 ASP CB C 13 41.06 0.20 . 1 . . . . . 1415 ASP CB . 50329 1 249 . 1 . 1 19 19 ASP N N 15 123.65 0.20 . 1 . . . . . 1415 ASP N . 50329 1 250 . 1 . 1 20 20 VAL H H 1 8.10 0.02 . 1 . . . . . 1416 VAL H . 50329 1 251 . 1 . 1 20 20 VAL HA H 1 3.70 0.02 . 1 . . . . . 1416 VAL HA . 50329 1 252 . 1 . 1 20 20 VAL HB H 1 1.96 0.02 . 1 . . . . . 1416 VAL HB . 50329 1 253 . 1 . 1 20 20 VAL HG11 H 1 0.81 0.02 . 2 . . . . . 1416 VAL QG1 . 50329 1 254 . 1 . 1 20 20 VAL HG12 H 1 0.81 0.02 . 2 . . . . . 1416 VAL QG1 . 50329 1 255 . 1 . 1 20 20 VAL HG13 H 1 0.81 0.02 . 2 . . . . . 1416 VAL QG1 . 50329 1 256 . 1 . 1 20 20 VAL HG21 H 1 0.82 0.02 . 2 . . . . . 1416 VAL QG2 . 50329 1 257 . 1 . 1 20 20 VAL HG22 H 1 0.82 0.02 . 2 . . . . . 1416 VAL QG2 . 50329 1 258 . 1 . 1 20 20 VAL HG23 H 1 0.82 0.02 . 2 . . . . . 1416 VAL QG2 . 50329 1 259 . 1 . 1 20 20 VAL CA C 13 63.98 0.20 . 1 . . . . . 1416 VAL CA . 50329 1 260 . 1 . 1 20 20 VAL CB C 13 32.26 0.20 . 1 . . . . . 1416 VAL CB . 50329 1 261 . 1 . 1 20 20 VAL CG1 C 13 21.09 0.20 . 1 . . . . . 1416 VAL CG1 . 50329 1 262 . 1 . 1 20 20 VAL CG2 C 13 21.35 0.20 . 1 . . . . . 1416 VAL CG2 . 50329 1 263 . 1 . 1 20 20 VAL N N 15 122.27 0.20 . 1 . . . . . 1416 VAL N . 50329 1 264 . 1 . 1 21 21 ASP H H 1 8.10 0.02 . 1 . . . . . 1417 ASP H . 50329 1 265 . 1 . 1 21 21 ASP HA H 1 4.38 0.02 . 1 . . . . . 1417 ASP HA . 50329 1 266 . 1 . 1 21 21 ASP HB2 H 1 2.61 0.02 . 2 . . . . . 1417 ASP HB2 . 50329 1 267 . 1 . 1 21 21 ASP HB3 H 1 2.62 0.02 . 2 . . . . . 1417 ASP HB3 . 50329 1 268 . 1 . 1 21 21 ASP CA C 13 55.50 0.20 . 1 . . . . . 1417 ASP CA . 50329 1 269 . 1 . 1 21 21 ASP CB C 13 40.89 0.20 . 1 . . . . . 1417 ASP CB . 50329 1 270 . 1 . 1 21 21 ASP N N 15 120.95 0.20 . 1 . . . . . 1417 ASP N . 50329 1 271 . 1 . 1 22 22 LYS H H 1 7.91 0.02 . 1 . . . . . 1418 LYS H . 50329 1 272 . 1 . 1 22 22 LYS HA H 1 3.98 0.02 . 1 . . . . . 1418 LYS HA . 50329 1 273 . 1 . 1 22 22 LYS HB2 H 1 1.72 0.02 . 2 . . . . . 1418 LYS HB2 . 50329 1 274 . 1 . 1 22 22 LYS HB3 H 1 1.72 0.02 . 2 . . . . . 1418 LYS HB3 . 50329 1 275 . 1 . 1 22 22 LYS HG2 H 1 1.28 0.02 . 2 . . . . . 1418 LYS HG2 . 50329 1 276 . 1 . 1 22 22 LYS HG3 H 1 1.36 0.02 . 2 . . . . . 1418 LYS HG3 . 50329 1 277 . 1 . 1 22 22 LYS HD2 H 1 1.60 0.02 . 2 . . . . . 1418 LYS HD2 . 50329 1 278 . 1 . 1 22 22 LYS HD3 H 1 1.60 0.02 . 2 . . . . . 1418 LYS HD3 . 50329 1 279 . 1 . 1 22 22 LYS HE2 H 1 2.92 0.02 . 2 . . . . . 1418 LYS HE2 . 50329 1 280 . 1 . 1 22 22 LYS HE3 H 1 2.92 0.02 . 2 . . . . . 1418 LYS HE3 . 50329 1 281 . 1 . 1 22 22 LYS CA C 13 55.62 0.20 . 1 . . . . . 1418 LYS CA . 50329 1 282 . 1 . 1 22 22 LYS CB C 13 33.25 0.20 . 1 . . . . . 1418 LYS CB . 50329 1 283 . 1 . 1 22 22 LYS CG C 13 24.91 0.20 . 1 . . . . . 1418 LYS CG . 50329 1 284 . 1 . 1 22 22 LYS CD C 13 29.16 0.20 . 1 . . . . . 1418 LYS CD . 50329 1 285 . 1 . 1 22 22 LYS CE C 13 42.13 0.20 . 1 . . . . . 1418 LYS CE . 50329 1 286 . 1 . 1 22 22 LYS N N 15 119.97 0.20 . 1 . . . . . 1418 LYS N . 50329 1 287 . 1 . 1 23 23 PHE H H 1 8.06 0.02 . 1 . . . . . 1419 PHE H . 50329 1 288 . 1 . 1 23 23 PHE HA H 1 4.34 0.02 . 1 . . . . . 1419 PHE HA . 50329 1 289 . 1 . 1 23 23 PHE HB2 H 1 3.06 0.02 . 2 . . . . . 1419 PHE HB2 . 50329 1 290 . 1 . 1 23 23 PHE HB3 H 1 3.11 0.02 . 2 . . . . . 1419 PHE HB3 . 50329 1 291 . 1 . 1 23 23 PHE HD1 H 1 7.12 0.02 . 1 . . . . . 1419 PHE HD1 . 50329 1 292 . 1 . 1 23 23 PHE HD2 H 1 7.12 0.02 . 1 . . . . . 1419 PHE HD2 . 50329 1 293 . 1 . 1 23 23 PHE HE1 H 1 7.21 0.02 . 1 . . . . . 1419 PHE HE1 . 50329 1 294 . 1 . 1 23 23 PHE HE2 H 1 7.22 0.02 . 1 . . . . . 1419 PHE HE2 . 50329 1 295 . 1 . 1 23 23 PHE HZ H 1 7.13 0.02 . 1 . . . . . 1419 PHE HZ . 50329 1 296 . 1 . 1 23 23 PHE CA C 13 57.93 0.20 . 1 . . . . . 1419 PHE CA . 50329 1 297 . 1 . 1 23 23 PHE CB C 13 39.15 0.20 . 1 . . . . . 1419 PHE CB . 50329 1 298 . 1 . 1 23 23 PHE CD1 C 13 131.64 0.20 . 1 . . . . . 1419 PHE CD1 . 50329 1 299 . 1 . 1 23 23 PHE CD2 C 13 131.88 0.20 . 1 . . . . . 1419 PHE CD2 . 50329 1 300 . 1 . 1 23 23 PHE CE1 C 13 129.94 0.20 . 1 . . . . . 1419 PHE CE1 . 50329 1 301 . 1 . 1 23 23 PHE CE2 C 13 131.47 0.20 . 1 . . . . . 1419 PHE CE2 . 50329 1 302 . 1 . 1 23 23 PHE CZ C 13 131.62 0.20 . 1 . . . . . 1419 PHE CZ . 50329 1 303 . 1 . 1 23 23 PHE N N 15 122.40 0.20 . 1 . . . . . 1419 PHE N . 50329 1 304 . 1 . 1 24 24 LEU H H 1 8.19 0.02 . 1 . . . . . 1420 LEU H . 50329 1 305 . 1 . 1 24 24 LEU HA H 1 4.11 0.02 . 1 . . . . . 1420 LEU HA . 50329 1 306 . 1 . 1 24 24 LEU HB2 H 1 0.82 0.02 . 2 . . . . . 1420 LEU HB2 . 50329 1 307 . 1 . 1 24 24 LEU HB3 H 1 1.77 0.02 . 2 . . . . . 1420 LEU HB3 . 50329 1 308 . 1 . 1 24 24 LEU HG H 1 1.13 0.02 . 1 . . . . . 1420 LEU HG . 50329 1 309 . 1 . 1 24 24 LEU HD11 H 1 0.85 0.02 . 2 . . . . . 1420 LEU QD1 . 50329 1 310 . 1 . 1 24 24 LEU HD12 H 1 0.85 0.02 . 2 . . . . . 1420 LEU QD1 . 50329 1 311 . 1 . 1 24 24 LEU HD13 H 1 0.85 0.02 . 2 . . . . . 1420 LEU QD1 . 50329 1 312 . 1 . 1 24 24 LEU HD21 H 1 0.82 0.02 . 2 . . . . . 1420 LEU QD2 . 50329 1 313 . 1 . 1 24 24 LEU HD22 H 1 0.82 0.02 . 2 . . . . . 1420 LEU QD2 . 50329 1 314 . 1 . 1 24 24 LEU HD23 H 1 0.82 0.02 . 2 . . . . . 1420 LEU QD2 . 50329 1 315 . 1 . 1 24 24 LEU CA C 13 56.88 0.20 . 1 . . . . . 1420 LEU CA . 50329 1 316 . 1 . 1 24 24 LEU CB C 13 41.78 0.20 . 1 . . . . . 1420 LEU CB . 50329 1 317 . 1 . 1 24 24 LEU CG C 13 27.13 0.20 . 1 . . . . . 1420 LEU CG . 50329 1 318 . 1 . 1 24 24 LEU CD1 C 13 25.40 0.20 . 1 . . . . . 1420 LEU CD1 . 50329 1 319 . 1 . 1 24 24 LEU CD2 C 13 23.27 0.20 . 1 . . . . . 1420 LEU CD2 . 50329 1 320 . 1 . 1 24 24 LEU N N 15 120.49 0.20 . 1 . . . . . 1420 LEU N . 50329 1 321 . 1 . 1 25 25 LEU H H 1 7.45 0.02 . 1 . . . . . 1421 LEU H . 50329 1 322 . 1 . 1 25 25 LEU HA H 1 4.11 0.02 . 1 . . . . . 1421 LEU HA . 50329 1 323 . 1 . 1 25 25 LEU HB2 H 1 1.46 0.02 . 2 . . . . . 1421 LEU HB2 . 50329 1 324 . 1 . 1 25 25 LEU HB3 H 1 1.46 0.02 . 2 . . . . . 1421 LEU HB3 . 50329 1 325 . 1 . 1 25 25 LEU HG H 1 1.40 0.02 . 1 . . . . . 1421 LEU HG . 50329 1 326 . 1 . 1 25 25 LEU HD11 H 1 0.64 0.02 . 2 . . . . . 1421 LEU QD1 . 50329 1 327 . 1 . 1 25 25 LEU HD12 H 1 0.64 0.02 . 2 . . . . . 1421 LEU QD1 . 50329 1 328 . 1 . 1 25 25 LEU HD13 H 1 0.64 0.02 . 2 . . . . . 1421 LEU QD1 . 50329 1 329 . 1 . 1 25 25 LEU HD21 H 1 0.72 0.02 . 2 . . . . . 1421 LEU QD2 . 50329 1 330 . 1 . 1 25 25 LEU HD22 H 1 0.72 0.02 . 2 . . . . . 1421 LEU QD2 . 50329 1 331 . 1 . 1 25 25 LEU HD23 H 1 0.72 0.02 . 2 . . . . . 1421 LEU QD2 . 50329 1 332 . 1 . 1 25 25 LEU CA C 13 57.33 0.20 . 1 . . . . . 1421 LEU CA . 50329 1 333 . 1 . 1 25 25 LEU CB C 13 41.94 0.20 . 1 . . . . . 1421 LEU CB . 50329 1 334 . 1 . 1 25 25 LEU CG C 13 26.55 0.20 . 1 . . . . . 1421 LEU CG . 50329 1 335 . 1 . 1 25 25 LEU CD1 C 13 23.07 0.20 . 1 . . . . . 1421 LEU CD1 . 50329 1 336 . 1 . 1 25 25 LEU CD2 C 13 25.31 0.20 . 1 . . . . . 1421 LEU CD2 . 50329 1 337 . 1 . 1 25 25 LEU N N 15 122.07 0.20 . 1 . . . . . 1421 LEU N . 50329 1 338 . 1 . 1 26 26 SER H H 1 7.76 0.02 . 1 . . . . . 1422 SER H . 50329 1 339 . 1 . 1 26 26 SER HA H 1 4.24 0.02 . 1 . . . . . 1422 SER HA . 50329 1 340 . 1 . 1 26 26 SER HB2 H 1 3.83 0.02 . 2 . . . . . 1422 SER HB2 . 50329 1 341 . 1 . 1 26 26 SER HB3 H 1 4.24 0.02 . 2 . . . . . 1422 SER HB3 . 50329 1 342 . 1 . 1 26 26 SER CA C 13 59.34 0.20 . 1 . . . . . 1422 SER CA . 50329 1 343 . 1 . 1 26 26 SER CB C 13 63.68 0.20 . 1 . . . . . 1422 SER CB . 50329 1 344 . 1 . 1 26 26 SER N N 15 114.76 0.20 . 1 . . . . . 1422 SER N . 50329 1 345 . 1 . 1 27 27 LEU H H 1 7.45 0.02 . 1 . . . . . 1423 LEU H . 50329 1 346 . 1 . 1 27 27 LEU HA H 1 4.11 0.02 . 1 . . . . . 1423 LEU HA . 50329 1 347 . 1 . 1 27 27 LEU HB2 H 1 1.27 0.02 . 2 . . . . . 1423 LEU HB2 . 50329 1 348 . 1 . 1 27 27 LEU HB3 H 1 1.46 0.02 . 2 . . . . . 1423 LEU HB3 . 50329 1 349 . 1 . 1 27 27 LEU HG H 1 1.27 0.02 . 1 . . . . . 1423 LEU HG . 50329 1 350 . 1 . 1 27 27 LEU HD11 H 1 0.64 0.02 . 2 . . . . . 1423 LEU QD1 . 50329 1 351 . 1 . 1 27 27 LEU HD12 H 1 0.64 0.02 . 2 . . . . . 1423 LEU QD1 . 50329 1 352 . 1 . 1 27 27 LEU HD13 H 1 0.64 0.02 . 2 . . . . . 1423 LEU QD1 . 50329 1 353 . 1 . 1 27 27 LEU HD21 H 1 0.72 0.02 . 2 . . . . . 1423 LEU QD2 . 50329 1 354 . 1 . 1 27 27 LEU HD22 H 1 0.72 0.02 . 2 . . . . . 1423 LEU QD2 . 50329 1 355 . 1 . 1 27 27 LEU HD23 H 1 0.72 0.02 . 2 . . . . . 1423 LEU QD2 . 50329 1 356 . 1 . 1 27 27 LEU CA C 13 55.32 0.20 . 1 . . . . . 1423 LEU CA . 50329 1 357 . 1 . 1 27 27 LEU CB C 13 42.02 0.20 . 1 . . . . . 1423 LEU CB . 50329 1 358 . 1 . 1 27 27 LEU CG C 13 24.97 0.20 . 1 . . . . . 1423 LEU CG . 50329 1 359 . 1 . 1 27 27 LEU CD1 C 13 23.07 0.20 . 1 . . . . . 1423 LEU CD1 . 50329 1 360 . 1 . 1 27 27 LEU CD2 C 13 25.25 0.20 . 1 . . . . . 1423 LEU CD2 . 50329 1 361 . 1 . 1 27 27 LEU N N 15 122.07 0.20 . 1 . . . . . 1423 LEU N . 50329 1 362 . 1 . 1 28 28 HIS H H 1 7.97 0.02 . 1 . . . . . 1424 HIS H . 50329 1 363 . 1 . 1 28 28 HIS HA H 1 4.55 0.02 . 1 . . . . . 1424 HIS HA . 50329 1 364 . 1 . 1 28 28 HIS HB2 H 1 3.03 0.02 . 2 . . . . . 1424 HIS HB2 . 50329 1 365 . 1 . 1 28 28 HIS HB3 H 1 3.12 0.02 . 2 . . . . . 1424 HIS HB3 . 50329 1 366 . 1 . 1 28 28 HIS HD2 H 1 7.07 0.02 . 1 . . . . . 1424 HIS HD2 . 50329 1 367 . 1 . 1 28 28 HIS HE1 H 1 8.35 0.02 . 1 . . . . . 1424 HIS HE1 . 50329 1 368 . 1 . 1 28 28 HIS CA C 13 55.35 0.20 . 1 . . . . . 1424 HIS CA . 50329 1 369 . 1 . 1 28 28 HIS CB C 13 29.20 0.20 . 1 . . . . . 1424 HIS CB . 50329 1 370 . 1 . 1 28 28 HIS CD2 C 13 120.14 0.20 . 1 . . . . . 1424 HIS CD2 . 50329 1 371 . 1 . 1 28 28 HIS CE1 C 13 136.71 0.20 . 1 . . . . . 1424 HIS CE1 . 50329 1 372 . 1 . 1 28 28 HIS N N 15 117.40 0.20 . 1 . . . . . 1424 HIS N . 50329 1 373 . 1 . 1 29 29 TYR H H 1 8.00 0.02 . 1 . . . . . 1425 TYR H . 50329 1 374 . 1 . 1 29 29 TYR HA H 1 4.51 0.02 . 1 . . . . . 1425 TYR HA . 50329 1 375 . 1 . 1 29 29 TYR HB2 H 1 2.84 0.02 . 2 . . . . . 1425 TYR HB2 . 50329 1 376 . 1 . 1 29 29 TYR HB3 H 1 3.00 0.02 . 2 . . . . . 1425 TYR HB3 . 50329 1 377 . 1 . 1 29 29 TYR HD1 H 1 7.04 0.02 . 1 . . . . . 1425 TYR HD1 . 50329 1 378 . 1 . 1 29 29 TYR HD2 H 1 7.04 0.02 . 1 . . . . . 1425 TYR HD2 . 50329 1 379 . 1 . 1 29 29 TYR HE1 H 1 6.74 0.02 . 1 . . . . . 1425 TYR HE1 . 50329 1 380 . 1 . 1 29 29 TYR HE2 H 1 6.74 0.02 . 1 . . . . . 1425 TYR HE2 . 50329 1 381 . 1 . 1 29 29 TYR CA C 13 57.99 0.20 . 1 . . . . . 1425 TYR CA . 50329 1 382 . 1 . 1 29 29 TYR CB C 13 39.07 0.20 . 1 . . . . . 1425 TYR CB . 50329 1 383 . 1 . 1 29 29 TYR CD1 C 13 133.16 0.20 . 1 . . . . . 1425 TYR CD1 . 50329 1 384 . 1 . 1 29 29 TYR CD2 C 13 133.16 0.20 . 1 . . . . . 1425 TYR CD2 . 50329 1 385 . 1 . 1 29 29 TYR CE1 C 13 118.26 0.20 . 1 . . . . . 1425 TYR CE1 . 50329 1 386 . 1 . 1 29 29 TYR CE2 C 13 118.26 0.20 . 1 . . . . . 1425 TYR CE2 . 50329 1 387 . 1 . 1 29 29 TYR N N 15 121.16 0.20 . 1 . . . . . 1425 TYR N . 50329 1 388 . 1 . 1 30 30 ASP H H 1 8.30 0.02 . 1 . . . . . 1426 ASP H . 50329 1 389 . 1 . 1 30 30 ASP HA H 1 4.57 0.02 . 1 . . . . . 1426 ASP HA . 50329 1 390 . 1 . 1 30 30 ASP HB2 H 1 2.48 0.02 . 2 . . . . . 1426 ASP HB2 . 50329 1 391 . 1 . 1 30 30 ASP HB3 H 1 2.64 0.02 . 2 . . . . . 1426 ASP HB3 . 50329 1 392 . 1 . 1 30 30 ASP CA C 13 54.22 0.20 . 1 . . . . . 1426 ASP CA . 50329 1 393 . 1 . 1 30 30 ASP CB C 13 41.38 0.20 . 1 . . . . . 1426 ASP CB . 50329 1 394 . 1 . 1 30 30 ASP N N 15 122.01 0.20 . 1 . . . . . 1426 ASP N . 50329 1 395 . 1 . 1 31 31 GLU H H 1 7.68 0.02 . 1 . . . . . 1427 GLU H . 50329 1 396 . 1 . 1 31 31 GLU HA H 1 4.05 0.02 . 1 . . . . . 1427 GLU HA . 50329 1 397 . 1 . 1 31 31 GLU HB2 H 1 1.83 0.02 . 2 . . . . . 1427 GLU HB2 . 50329 1 398 . 1 . 1 31 31 GLU HB3 H 1 1.99 0.02 . 2 . . . . . 1427 GLU HB3 . 50329 1 399 . 1 . 1 31 31 GLU HG2 H 1 2.15 0.02 . 2 . . . . . 1427 GLU HG2 . 50329 1 400 . 1 . 1 31 31 GLU HG3 H 1 2.15 0.02 . 2 . . . . . 1427 GLU HG3 . 50329 1 401 . 1 . 1 31 31 GLU CA C 13 57.97 0.20 . 1 . . . . . 1427 GLU CA . 50329 1 402 . 1 . 1 31 31 GLU CB C 13 31.36 0.20 . 1 . . . . . 1427 GLU CB . 50329 1 403 . 1 . 1 31 31 GLU CG C 13 36.59 0.20 . 1 . . . . . 1427 GLU CG . 50329 1 404 . 1 . 1 31 31 GLU N N 15 125.38 0.20 . 1 . . . . . 1427 GLU N . 50329 1 stop_ save_