data_27108 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27108 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for SH3 domain of Noxa1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-05-18 _Entry.Accession_date 2017-05-18 _Entry.Last_release_date 2017-05-19 _Entry.Original_release_date 2017-05-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Pravesh Shrestha . . . . 27108 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27108 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 116 27108 '15N chemical shifts' 57 27108 '1H chemical shifts' 55 27108 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 . . 2017-09-14 . original BMRB . 27108 stop_ save_ ############### # Citations # ############### save_Noxa1_SH3 _Citation.Sf_category citations _Citation.Sf_framecode Noxa1_SH3 _Citation.Entry_ID 27108 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1016/j.bbrc.2017.06.083 _Citation.PubMed_ID 28625920 _Citation.Full_citation . _Citation.Title ; C-terminal tail of NADPH oxidase organizer 1 (Noxo1) mediates interaction with NADPH oxidase activator (Noxa1) in the NOX1 complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. Biophys. Res. Commun.' _Citation.Journal_name_full 'Biochemical and biophysical research communications' _Citation.Journal_volume 490 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1090-2104 _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 594 _Citation.Page_last 600 _Citation.Year 2017 _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 Pravesh Shrestha P. . . . 27108 1 2 Ji-Hye Yun J. H. . . 27108 1 3 Yoon-Joo Ko Y. J. . . 27108 1 4 Myeongkyu Kim M. . . . 27108 1 5 'Yun Soo' Bae Y. S. . . 27108 1 6 Weontae Lee W. . . . 27108 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27108 _Assembly.ID 1 _Assembly.Name 'NOX1 ativator' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 'NOX1 ativator' 1 $NOX1_activator A . no native no no . . . 27108 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NOX1_activator _Entity.Sf_category entity _Entity.Sf_framecode NOX1_activator _Entity.Entry_ID 27108 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NOX1_activator _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 ; QRPVLYQVVAQHSYSAQGPE DLGFRQGDTVDVLCEVDQAW LEGHCDGRIGIFPKCVVPAG PRMS ; _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 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _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 . 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 1 397 GLN . 27108 1 2 398 ARG . 27108 1 3 399 PRO . 27108 1 4 400 VAL . 27108 1 5 401 LEU . 27108 1 6 402 TYR . 27108 1 7 403 GLN . 27108 1 8 404 VAL . 27108 1 9 405 VAL . 27108 1 10 406 ALA . 27108 1 11 407 GLN . 27108 1 12 408 HIS . 27108 1 13 409 SER . 27108 1 14 410 TYR . 27108 1 15 411 SER . 27108 1 16 412 ALA . 27108 1 17 413 GLN . 27108 1 18 414 GLY . 27108 1 19 415 PRO . 27108 1 20 416 GLU . 27108 1 21 417 ASP . 27108 1 22 418 LEU . 27108 1 23 419 GLY . 27108 1 24 420 PHE . 27108 1 25 421 ARG . 27108 1 26 422 GLN . 27108 1 27 423 GLY . 27108 1 28 424 ASP . 27108 1 29 425 THR . 27108 1 30 426 VAL . 27108 1 31 427 ASP . 27108 1 32 428 VAL . 27108 1 33 429 LEU . 27108 1 34 430 CYS . 27108 1 35 431 GLU . 27108 1 36 432 VAL . 27108 1 37 433 ASP . 27108 1 38 434 GLN . 27108 1 39 435 ALA . 27108 1 40 436 TRP . 27108 1 41 437 LEU . 27108 1 42 438 GLU . 27108 1 43 439 GLY . 27108 1 44 440 HIS . 27108 1 45 441 CYS . 27108 1 46 442 ASP . 27108 1 47 443 GLY . 27108 1 48 444 ARG . 27108 1 49 445 ILE . 27108 1 50 446 GLY . 27108 1 51 447 ILE . 27108 1 52 448 PHE . 27108 1 53 449 PRO . 27108 1 54 450 LYS . 27108 1 55 451 CYS . 27108 1 56 452 VAL . 27108 1 57 453 VAL . 27108 1 58 454 PRO . 27108 1 59 455 ALA . 27108 1 60 456 GLY . 27108 1 61 457 PRO . 27108 1 62 458 ARG . 27108 1 63 459 MET . 27108 1 64 460 SER . 27108 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 . GLN 1 1 27108 1 . ARG 2 2 27108 1 . PRO 3 3 27108 1 . VAL 4 4 27108 1 . LEU 5 5 27108 1 . TYR 6 6 27108 1 . GLN 7 7 27108 1 . VAL 8 8 27108 1 . VAL 9 9 27108 1 . ALA 10 10 27108 1 . GLN 11 11 27108 1 . HIS 12 12 27108 1 . SER 13 13 27108 1 . TYR 14 14 27108 1 . SER 15 15 27108 1 . ALA 16 16 27108 1 . GLN 17 17 27108 1 . GLY 18 18 27108 1 . PRO 19 19 27108 1 . GLU 20 20 27108 1 . ASP 21 21 27108 1 . LEU 22 22 27108 1 . GLY 23 23 27108 1 . PHE 24 24 27108 1 . ARG 25 25 27108 1 . GLN 26 26 27108 1 . GLY 27 27 27108 1 . ASP 28 28 27108 1 . THR 29 29 27108 1 . VAL 30 30 27108 1 . ASP 31 31 27108 1 . VAL 32 32 27108 1 . LEU 33 33 27108 1 . CYS 34 34 27108 1 . GLU 35 35 27108 1 . VAL 36 36 27108 1 . ASP 37 37 27108 1 . GLN 38 38 27108 1 . ALA 39 39 27108 1 . TRP 40 40 27108 1 . LEU 41 41 27108 1 . GLU 42 42 27108 1 . GLY 43 43 27108 1 . HIS 44 44 27108 1 . CYS 45 45 27108 1 . ASP 46 46 27108 1 . GLY 47 47 27108 1 . ARG 48 48 27108 1 . ILE 49 49 27108 1 . GLY 50 50 27108 1 . ILE 51 51 27108 1 . PHE 52 52 27108 1 . PRO 53 53 27108 1 . LYS 54 54 27108 1 . CYS 55 55 27108 1 . VAL 56 56 27108 1 . VAL 57 57 27108 1 . PRO 58 58 27108 1 . ALA 59 59 27108 1 . GLY 60 60 27108 1 . PRO 61 61 27108 1 . ARG 62 62 27108 1 . MET 63 63 27108 1 . SER 64 64 27108 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 27108 _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 $NOX1_activator . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 27108 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 27108 _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 $NOX1_activator . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET32a . . . 27108 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27108 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'NOX1 ativator' na . . 1 $NOX1_activator . . . . . mM . . . . 27108 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 27108 1 3 NaCl 'natural abundance' . . . . . . 100 . . mM . . . . 27108 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 27108 1 5 NaN3 'natural abundance' . . . . . . 0.01 . . % . . . . 27108 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 27108 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 10mM HEPES 100mM NaCl 1mM DTT 0.01% NaN3 ; 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 pressure 1 . atm 27108 1 temperature 298 . K 27108 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27108 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 27108 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27108 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27108 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27108 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 850 . . . 27108 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 27108 _Experiment_list.ID 1 _Experiment_list.Details 'Backbone was assigned using HSQC, CBCACONH and HNCACB' 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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27108 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27108 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27108 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27108 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.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 0.00 na indirect 0.251449530 . . . . . 27108 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27108 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27108 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27108 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 27108 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 ARG H H 1 8.129 0.010 . . . . . . 398 R H . 27108 1 2 . 1 1 2 2 ARG CA C 13 56.078 0.000 . . . . . . 398 R CA . 27108 1 3 . 1 1 2 2 ARG CB C 13 30.033 0.000 . . . . . . 398 R CB . 27108 1 4 . 1 1 2 2 ARG N N 15 118.766 0.021 . . . . . . 398 R N . 27108 1 5 . 1 1 4 4 VAL CA C 13 63.066 0.000 . . . . . . 400 V CA . 27108 1 6 . 1 1 4 4 VAL CB C 13 32.700 0.065 . . . . . . 400 V CB . 27108 1 7 . 1 1 5 5 LEU H H 1 9.078 0.006 . . . . . . 401 L H . 27108 1 8 . 1 1 5 5 LEU CA C 13 57.808 0.083 . . . . . . 401 L CA . 27108 1 9 . 1 1 5 5 LEU CB C 13 42.854 0.021 . . . . . . 401 L CB . 27108 1 10 . 1 1 5 5 LEU N N 15 129.168 0.043 . . . . . . 401 L N . 27108 1 11 . 1 1 6 6 TYR H H 1 7.141 0.004 . . . . . . 402 Y H . 27108 1 12 . 1 1 6 6 TYR CA C 13 56.401 0.014 . . . . . . 402 Y CA . 27108 1 13 . 1 1 6 6 TYR CB C 13 37.601 0.054 . . . . . . 402 Y CB . 27108 1 14 . 1 1 6 6 TYR N N 15 111.029 0.029 . . . . . . 402 Y N . 27108 1 15 . 1 1 7 7 GLN H H 1 9.051 0.003 . . . . . . 403 Q H . 27108 1 16 . 1 1 7 7 GLN CA C 13 55.078 0.048 . . . . . . 403 Q CA . 27108 1 17 . 1 1 7 7 GLN CB C 13 32.404 0.024 . . . . . . 403 Q CB . 27108 1 18 . 1 1 7 7 GLN N N 15 117.011 0.014 . . . . . . 403 Q N . 27108 1 19 . 1 1 8 8 VAL H H 1 8.999 0.003 . . . . . . 404 V H . 27108 1 20 . 1 1 8 8 VAL CA C 13 58.811 0.071 . . . . . . 404 V CA . 27108 1 21 . 1 1 8 8 VAL CB C 13 36.140 0.070 . . . . . . 404 V CB . 27108 1 22 . 1 1 8 8 VAL N N 15 113.953 0.045 . . . . . . 404 V N . 27108 1 23 . 1 1 9 9 VAL H H 1 9.006 0.004 . . . . . . 405 V H . 27108 1 24 . 1 1 9 9 VAL CA C 13 60.307 0.076 . . . . . . 405 V CA . 27108 1 25 . 1 1 9 9 VAL CB C 13 34.526 0.043 . . . . . . 405 V CB . 27108 1 26 . 1 1 9 9 VAL N N 15 119.716 0.018 . . . . . . 405 V N . 27108 1 27 . 1 1 10 10 ALA H H 1 8.676 0.003 . . . . . . 406 A H . 27108 1 28 . 1 1 10 10 ALA CA C 13 53.246 0.151 . . . . . . 406 A CA . 27108 1 29 . 1 1 10 10 ALA CB C 13 20.282 0.051 . . . . . . 406 A CB . 27108 1 30 . 1 1 10 10 ALA N N 15 128.340 0.027 . . . . . . 406 A N . 27108 1 31 . 1 1 11 11 GLN H H 1 9.469 0.002 . . . . . . 407 Q H . 27108 1 32 . 1 1 11 11 GLN CA C 13 55.835 0.119 . . . . . . 407 Q CA . 27108 1 33 . 1 1 11 11 GLN CB C 13 30.067 0.034 . . . . . . 407 Q CB . 27108 1 34 . 1 1 11 11 GLN N N 15 126.132 0.063 . . . . . . 407 Q N . 27108 1 35 . 1 1 12 12 HIS H H 1 7.770 0.001 . . . . . . 408 H H . 27108 1 36 . 1 1 12 12 HIS CA C 13 54.190 0.103 . . . . . . 408 H CA . 27108 1 37 . 1 1 12 12 HIS CB C 13 33.577 0.052 . . . . . . 408 H CB . 27108 1 38 . 1 1 12 12 HIS N N 15 116.704 0.012 . . . . . . 408 H N . 27108 1 39 . 1 1 13 13 SER H H 1 8.941 0.003 . . . . . . 409 S H . 27108 1 40 . 1 1 13 13 SER CA C 13 59.156 0.000 . . . . . . 409 S CA . 27108 1 41 . 1 1 13 13 SER CB C 13 63.910 0.000 . . . . . . 409 S CB . 27108 1 42 . 1 1 13 13 SER N N 15 118.119 0.070 . . . . . . 409 S N . 27108 1 43 . 1 1 14 14 TYR H H 1 8.271 0.000 . . . . . . 410 Y H . 27108 1 44 . 1 1 14 14 TYR CA C 13 58.145 0.053 . . . . . . 410 Y CA . 27108 1 45 . 1 1 14 14 TYR CB C 13 38.983 0.000 . . . . . . 410 Y CB . 27108 1 46 . 1 1 14 14 TYR N N 15 122.364 0.000 . . . . . . 410 Y N . 27108 1 47 . 1 1 15 15 SER H H 1 8.093 0.004 . . . . . . 411 S H . 27108 1 48 . 1 1 15 15 SER CA C 13 57.121 0.807 . . . . . . 411 S CA . 27108 1 49 . 1 1 15 15 SER CB C 13 63.747 0.389 . . . . . . 411 S CB . 27108 1 50 . 1 1 15 15 SER N N 15 117.696 0.023 . . . . . . 411 S N . 27108 1 51 . 1 1 16 16 ALA H H 1 8.062 0.002 . . . . . . 412 A H . 27108 1 52 . 1 1 16 16 ALA CA C 13 53.135 0.118 . . . . . . 412 A CA . 27108 1 53 . 1 1 16 16 ALA CB C 13 19.679 0.072 . . . . . . 412 A CB . 27108 1 54 . 1 1 16 16 ALA N N 15 127.309 0.013 . . . . . . 412 A N . 27108 1 55 . 1 1 17 17 GLN H H 1 9.090 0.009 . . . . . . 413 Q H . 27108 1 56 . 1 1 17 17 GLN CA C 13 56.073 0.046 . . . . . . 413 Q CA . 27108 1 57 . 1 1 17 17 GLN CB C 13 30.350 0.034 . . . . . . 413 Q CB . 27108 1 58 . 1 1 17 17 GLN N N 15 122.263 0.042 . . . . . . 413 Q N . 27108 1 59 . 1 1 18 18 GLY H H 1 8.060 0.003 . . . . . . 414 G H . 27108 1 60 . 1 1 18 18 GLY CA C 13 45.072 0.000 . . . . . . 414 G CA . 27108 1 61 . 1 1 18 18 GLY N N 15 109.202 0.016 . . . . . . 414 G N . 27108 1 62 . 1 1 19 19 PRO CA C 13 64.938 0.112 . . . . . . 415 P CA . 27108 1 63 . 1 1 19 19 PRO CB C 13 32.257 0.011 . . . . . . 415 P CB . 27108 1 64 . 1 1 20 20 GLU H H 1 9.116 0.004 . . . . . . 416 E H . 27108 1 65 . 1 1 20 20 GLU CA C 13 56.682 0.076 . . . . . . 416 E CA . 27108 1 66 . 1 1 20 20 GLU CB C 13 29.532 0.018 . . . . . . 416 E CB . 27108 1 67 . 1 1 20 20 GLU N N 15 116.943 0.019 . . . . . . 416 E N . 27108 1 68 . 1 1 21 21 ASP H H 1 7.485 0.001 . . . . . . 417 D H . 27108 1 69 . 1 1 21 21 ASP CA C 13 54.653 0.069 . . . . . . 417 D CA . 27108 1 70 . 1 1 21 21 ASP CB C 13 43.716 0.055 . . . . . . 417 D CB . 27108 1 71 . 1 1 21 21 ASP N N 15 120.054 0.046 . . . . . . 417 D N . 27108 1 72 . 1 1 22 22 LEU H H 1 8.939 0.008 . . . . . . 418 L H . 27108 1 73 . 1 1 22 22 LEU CA C 13 54.058 0.128 . . . . . . 418 L CA . 27108 1 74 . 1 1 22 22 LEU CB C 13 44.389 0.169 . . . . . . 418 L CB . 27108 1 75 . 1 1 22 22 LEU N N 15 124.891 0.043 . . . . . . 418 L N . 27108 1 76 . 1 1 23 23 GLY H H 1 7.809 0.003 . . . . . . 419 G H . 27108 1 77 . 1 1 23 23 GLY CA C 13 43.854 0.026 . . . . . . 419 G CA . 27108 1 78 . 1 1 23 23 GLY N N 15 108.220 0.016 . . . . . . 419 G N . 27108 1 79 . 1 1 24 24 PHE H H 1 8.113 0.002 . . . . . . 420 F H . 27108 1 80 . 1 1 24 24 PHE CA C 13 56.514 0.031 . . . . . . 420 F CA . 27108 1 81 . 1 1 24 24 PHE CB C 13 39.835 0.050 . . . . . . 420 F CB . 27108 1 82 . 1 1 24 24 PHE N N 15 113.415 0.038 . . . . . . 420 F N . 27108 1 83 . 1 1 25 25 ARG H H 1 9.399 0.002 . . . . . . 421 R H . 27108 1 84 . 1 1 25 25 ARG CA C 13 53.980 0.065 . . . . . . 421 R CA . 27108 1 85 . 1 1 25 25 ARG CB C 13 32.259 0.030 . . . . . . 421 R CB . 27108 1 86 . 1 1 25 25 ARG N N 15 121.049 0.038 . . . . . . 421 R N . 27108 1 87 . 1 1 26 26 GLN H H 1 8.258 0.002 . . . . . . 422 Q H . 27108 1 88 . 1 1 26 26 GLN CA C 13 58.600 0.055 . . . . . . 422 Q CA . 27108 1 89 . 1 1 26 26 GLN CB C 13 28.479 0.035 . . . . . . 422 Q CB . 27108 1 90 . 1 1 26 26 GLN N N 15 121.510 0.049 . . . . . . 422 Q N . 27108 1 91 . 1 1 27 27 GLY H H 1 8.941 0.002 . . . . . . 423 G H . 27108 1 92 . 1 1 27 27 GLY CA C 13 53.958 0.000 . . . . . . 423 G CA . 27108 1 93 . 1 1 27 27 GLY N N 15 115.419 0.035 . . . . . . 423 G N . 27108 1 94 . 1 1 28 28 ASP H H 1 8.170 0.003 . . . . . . 424 D H . 27108 1 95 . 1 1 28 28 ASP CA C 13 55.941 0.116 . . . . . . 424 D CA . 27108 1 96 . 1 1 28 28 ASP CB C 13 41.526 0.088 . . . . . . 424 D CB . 27108 1 97 . 1 1 28 28 ASP N N 15 122.272 0.020 . . . . . . 424 D N . 27108 1 98 . 1 1 29 29 THR H H 1 8.331 0.002 . . . . . . 425 T H . 27108 1 99 . 1 1 29 29 THR CA C 13 63.136 0.080 . . . . . . 425 T CA . 27108 1 100 . 1 1 29 29 THR CB C 13 69.543 0.104 . . . . . . 425 T CB . 27108 1 101 . 1 1 29 29 THR N N 15 117.060 0.037 . . . . . . 425 T N . 27108 1 102 . 1 1 30 30 VAL H H 1 9.060 0.004 . . . . . . 426 V H . 27108 1 103 . 1 1 30 30 VAL CA C 13 61.229 0.017 . . . . . . 426 V CA . 27108 1 104 . 1 1 30 30 VAL CB C 13 34.408 0.024 . . . . . . 426 V CB . 27108 1 105 . 1 1 30 30 VAL N N 15 128.715 0.045 . . . . . . 426 V N . 27108 1 106 . 1 1 31 31 ASP H H 1 9.013 0.004 . . . . . . 427 D H . 27108 1 107 . 1 1 31 31 ASP CA C 13 54.425 0.067 . . . . . . 427 D CA . 27108 1 108 . 1 1 31 31 ASP CB C 13 43.658 0.027 . . . . . . 427 D CB . 27108 1 109 . 1 1 31 31 ASP N N 15 126.705 0.011 . . . . . . 427 D N . 27108 1 110 . 1 1 32 32 VAL H H 1 8.993 0.004 . . . . . . 428 V H . 27108 1 111 . 1 1 32 32 VAL CA C 13 65.481 0.053 . . . . . . 428 V CA . 27108 1 112 . 1 1 32 32 VAL CB C 13 31.471 0.034 . . . . . . 428 V CB . 27108 1 113 . 1 1 32 32 VAL N N 15 125.300 0.019 . . . . . . 428 V N . 27108 1 114 . 1 1 33 33 LEU H H 1 9.266 0.003 . . . . . . 429 L H . 27108 1 115 . 1 1 33 33 LEU CA C 13 54.946 0.042 . . . . . . 429 L CA . 27108 1 116 . 1 1 33 33 LEU CB C 13 43.865 0.023 . . . . . . 429 L CB . 27108 1 117 . 1 1 33 33 LEU N N 15 126.410 0.030 . . . . . . 429 L N . 27108 1 118 . 1 1 34 34 CYS H H 1 7.785 0.003 . . . . . . 430 C H . 27108 1 119 . 1 1 34 34 CYS CA C 13 58.786 0.012 . . . . . . 430 C CA . 27108 1 120 . 1 1 34 34 CYS CB C 13 29.549 0.062 . . . . . . 430 C CB . 27108 1 121 . 1 1 34 34 CYS N N 15 115.539 0.027 . . . . . . 430 C N . 27108 1 122 . 1 1 35 35 GLU H H 1 9.025 0.002 . . . . . . 431 E H . 27108 1 123 . 1 1 35 35 GLU CA C 13 55.703 0.106 . . . . . . 431 E CA . 27108 1 124 . 1 1 35 35 GLU CB C 13 28.226 0.023 . . . . . . 431 E CB . 27108 1 125 . 1 1 35 35 GLU N N 15 128.110 0.044 . . . . . . 431 E N . 27108 1 126 . 1 1 36 36 VAL H H 1 7.613 0.007 . . . . . . 432 V H . 27108 1 127 . 1 1 36 36 VAL CA C 13 66.024 0.080 . . . . . . 432 V CA . 27108 1 128 . 1 1 36 36 VAL CB C 13 32.497 0.043 . . . . . . 432 V CB . 27108 1 129 . 1 1 36 36 VAL N N 15 127.551 0.028 . . . . . . 432 V N . 27108 1 130 . 1 1 37 37 ASP H H 1 8.214 0.004 . . . . . . 433 D H . 27108 1 131 . 1 1 37 37 ASP CA C 13 54.059 0.071 . . . . . . 433 D CA . 27108 1 132 . 1 1 37 37 ASP CB C 13 40.435 0.026 . . . . . . 433 D CB . 27108 1 133 . 1 1 37 37 ASP N N 15 117.430 0.047 . . . . . . 433 D N . 27108 1 134 . 1 1 38 38 GLN H H 1 8.229 0.006 . . . . . . 434 Q H . 27108 1 135 . 1 1 38 38 GLN CA C 13 58.590 0.043 . . . . . . 434 Q CA . 27108 1 136 . 1 1 38 38 GLN CB C 13 28.644 0.076 . . . . . . 434 Q CB . 27108 1 137 . 1 1 38 38 GLN N N 15 113.561 0.040 . . . . . . 434 Q N . 27108 1 138 . 1 1 39 39 ALA H H 1 8.880 0.005 . . . . . . 435 A H . 27108 1 139 . 1 1 39 39 ALA CA C 13 52.360 0.011 . . . . . . 435 A CA . 27108 1 140 . 1 1 39 39 ALA CB C 13 22.192 0.035 . . . . . . 435 A CB . 27108 1 141 . 1 1 39 39 ALA N N 15 120.767 0.026 . . . . . . 435 A N . 27108 1 142 . 1 1 40 40 TRP H H 1 8.242 0.008 . . . . . . 436 W H . 27108 1 143 . 1 1 40 40 TRP CA C 13 57.126 0.034 . . . . . . 436 W CA . 27108 1 144 . 1 1 40 40 TRP CB C 13 31.708 0.072 . . . . . . 436 W CB . 27108 1 145 . 1 1 40 40 TRP N N 15 121.289 0.022 . . . . . . 436 W N . 27108 1 146 . 1 1 41 41 LEU H H 1 8.429 0.005 . . . . . . 437 L H . 27108 1 147 . 1 1 41 41 LEU CA C 13 52.645 0.035 . . . . . . 437 L CA . 27108 1 148 . 1 1 41 41 LEU CB C 13 45.772 0.019 . . . . . . 437 L CB . 27108 1 149 . 1 1 41 41 LEU N N 15 119.560 0.040 . . . . . . 437 L N . 27108 1 150 . 1 1 42 42 GLU H H 1 8.593 0.003 . . . . . . 438 E H . 27108 1 151 . 1 1 42 42 GLU CA C 13 54.714 0.082 . . . . . . 438 E CA . 27108 1 152 . 1 1 42 42 GLU CB C 13 33.147 0.060 . . . . . . 438 E CB . 27108 1 153 . 1 1 42 42 GLU N N 15 119.234 0.039 . . . . . . 438 E N . 27108 1 154 . 1 1 43 43 GLY H H 1 9.730 0.006 . . . . . . 439 G H . 27108 1 155 . 1 1 43 43 GLY CA C 13 46.544 0.022 . . . . . . 439 G CA . 27108 1 156 . 1 1 43 43 GLY N N 15 114.150 0.042 . . . . . . 439 G N . 27108 1 157 . 1 1 44 44 HIS H H 1 9.176 0.003 . . . . . . 440 H H . 27108 1 158 . 1 1 44 44 HIS CA C 13 54.295 0.035 . . . . . . 440 H CA . 27108 1 159 . 1 1 44 44 HIS CB C 13 33.398 0.027 . . . . . . 440 H CB . 27108 1 160 . 1 1 44 44 HIS N N 15 117.807 0.018 . . . . . . 440 H N . 27108 1 161 . 1 1 45 45 CYS H H 1 8.669 0.003 . . . . . . 441 C H . 27108 1 162 . 1 1 45 45 CYS CA C 13 59.720 0.148 . . . . . . 441 C CA . 27108 1 163 . 1 1 45 45 CYS CB C 13 29.412 0.033 . . . . . . 441 C CB . 27108 1 164 . 1 1 45 45 CYS N N 15 127.212 0.008 . . . . . . 441 C N . 27108 1 165 . 1 1 46 46 ASP H H 1 9.235 0.003 . . . . . . 442 D H . 27108 1 166 . 1 1 46 46 ASP CA C 13 55.722 0.116 . . . . . . 442 D CA . 27108 1 167 . 1 1 46 46 ASP CB C 13 40.412 0.086 . . . . . . 442 D CB . 27108 1 168 . 1 1 46 46 ASP N N 15 128.765 0.038 . . . . . . 442 D N . 27108 1 169 . 1 1 47 47 GLY H H 1 8.294 0.156 . . . . . . 443 G H . 27108 1 170 . 1 1 47 47 GLY CA C 13 45.494 0.032 . . . . . . 443 G CA . 27108 1 171 . 1 1 47 47 GLY N N 15 105.017 0.011 . . . . . . 443 G N . 27108 1 172 . 1 1 48 48 ARG H H 1 7.771 0.003 . . . . . . 444 R H . 27108 1 173 . 1 1 48 48 ARG CA C 13 55.357 0.065 . . . . . . 444 R CA . 27108 1 174 . 1 1 48 48 ARG CB C 13 32.105 0.045 . . . . . . 444 R CB . 27108 1 175 . 1 1 48 48 ARG N N 15 122.164 0.016 . . . . . . 444 R N . 27108 1 176 . 1 1 49 49 ILE H H 1 8.303 0.003 . . . . . . 445 I H . 27108 1 177 . 1 1 49 49 ILE CA C 13 59.509 0.045 . . . . . . 445 I CA . 27108 1 178 . 1 1 49 49 ILE CB C 13 42.050 0.061 . . . . . . 445 I CB . 27108 1 179 . 1 1 49 49 ILE N N 15 119.725 0.037 . . . . . . 445 I N . 27108 1 180 . 1 1 50 50 GLY H H 1 8.738 0.006 . . . . . . 446 G H . 27108 1 181 . 1 1 50 50 GLY CA C 13 45.890 0.026 . . . . . . 446 G CA . 27108 1 182 . 1 1 50 50 GLY N N 15 112.868 0.050 . . . . . . 446 G N . 27108 1 183 . 1 1 51 51 ILE H H 1 8.838 0.001 . . . . . . 447 I H . 27108 1 184 . 1 1 51 51 ILE CA C 13 60.310 0.145 . . . . . . 447 I CA . 27108 1 185 . 1 1 51 51 ILE CB C 13 41.883 0.066 . . . . . . 447 I CB . 27108 1 186 . 1 1 51 51 ILE N N 15 115.512 0.012 . . . . . . 447 I N . 27108 1 187 . 1 1 52 52 PHE H H 1 9.167 0.003 . . . . . . 448 F H . 27108 1 188 . 1 1 52 52 PHE CA C 13 56.312 0.000 . . . . . . 448 F CA . 27108 1 189 . 1 1 52 52 PHE CB C 13 38.864 0.000 . . . . . . 448 F CB . 27108 1 190 . 1 1 52 52 PHE N N 15 118.803 0.014 . . . . . . 448 F N . 27108 1 191 . 1 1 53 53 PRO CA C 13 61.785 0.146 . . . . . . 449 P CA . 27108 1 192 . 1 1 53 53 PRO CB C 13 31.685 0.014 . . . . . . 449 P CB . 27108 1 193 . 1 1 54 54 LYS H H 1 8.186 0.002 . . . . . . 450 K H . 27108 1 194 . 1 1 54 54 LYS CA C 13 59.185 0.059 . . . . . . 450 K CA . 27108 1 195 . 1 1 54 54 LYS CB C 13 33.517 0.163 . . . . . . 450 K CB . 27108 1 196 . 1 1 54 54 LYS N N 15 125.283 0.037 . . . . . . 450 K N . 27108 1 197 . 1 1 55 55 CYS H H 1 8.042 0.006 . . . . . . 451 C H . 27108 1 198 . 1 1 55 55 CYS CA C 13 59.267 0.154 . . . . . . 451 C CA . 27108 1 199 . 1 1 55 55 CYS CB C 13 27.173 0.055 . . . . . . 451 C CB . 27108 1 200 . 1 1 55 55 CYS N N 15 111.657 0.067 . . . . . . 451 C N . 27108 1 201 . 1 1 56 56 VAL H H 1 7.542 0.004 . . . . . . 452 V H . 27108 1 202 . 1 1 56 56 VAL CA C 13 59.001 0.123 . . . . . . 452 V CA . 27108 1 203 . 1 1 56 56 VAL CB C 13 39.821 0.037 . . . . . . 452 V CB . 27108 1 204 . 1 1 56 56 VAL N N 15 120.512 0.026 . . . . . . 452 V N . 27108 1 205 . 1 1 57 57 VAL H H 1 8.034 0.002 . . . . . . 453 V H . 27108 1 206 . 1 1 57 57 VAL CA C 13 59.526 0.105 . . . . . . 453 V CA . 27108 1 207 . 1 1 57 57 VAL CB C 13 35.758 0.045 . . . . . . 453 V CB . 27108 1 208 . 1 1 57 57 VAL N N 15 111.216 0.010 . . . . . . 453 V N . 27108 1 209 . 1 1 58 58 PRO CA C 13 58.882 0.000 . . . . . . 454 P CA . 27108 1 210 . 1 1 58 58 PRO CB C 13 34.269 0.000 . . . . . . 454 P CB . 27108 1 211 . 1 1 58 58 PRO N N 15 114.984 0.030 . . . . . . 454 P N . 27108 1 212 . 1 1 59 59 ALA CA C 13 64.201 0.095 . . . . . . 455 A CA . 27108 1 213 . 1 1 59 59 ALA CB C 13 32.364 0.009 . . . . . . 455 A CB . 27108 1 214 . 1 1 60 60 GLY H H 1 8.256 0.003 . . . . . . 456 G H . 27108 1 215 . 1 1 60 60 GLY CA C 13 52.475 0.061 . . . . . . 456 G CA . 27108 1 216 . 1 1 60 60 GLY N N 15 125.206 0.041 . . . . . . 456 G N . 27108 1 217 . 1 1 61 61 PRO CA C 13 44.794 0.000 . . . . . . 457 P CA . 27108 1 218 . 1 1 61 61 PRO N N 15 108.334 0.067 . . . . . . 457 P N . 27108 1 219 . 1 1 62 62 ARG CA C 13 63.255 0.013 . . . . . . 458 R CA . 27108 1 220 . 1 1 62 62 ARG CB C 13 32.312 0.012 . . . . . . 458 R CB . 27108 1 221 . 1 1 63 63 MET H H 1 8.402 0.001 . . . . . . 459 M H . 27108 1 222 . 1 1 63 63 MET CA C 13 56.420 0.040 . . . . . . 459 M CA . 27108 1 223 . 1 1 63 63 MET CB C 13 30.937 0.031 . . . . . . 459 M CB . 27108 1 224 . 1 1 63 63 MET N N 15 121.400 0.015 . . . . . . 459 M N . 27108 1 225 . 1 1 64 64 SER H H 1 8.473 0.002 . . . . . . 460 S H . 27108 1 226 . 1 1 64 64 SER CA C 13 55.953 0.029 . . . . . . 460 S CA . 27108 1 227 . 1 1 64 64 SER CB C 13 33.293 0.033 . . . . . . 460 S CB . 27108 1 228 . 1 1 64 64 SER N N 15 123.009 0.029 . . . . . . 460 S N . 27108 1 stop_ save_