data_50916 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50916 _Entry.Title ; Backbone 1H, 13C and 15N chemical shift assignments of HIV-1 p6. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-04-28 _Entry.Accession_date 2021-04-28 _Entry.Last_release_date 2021-04-28 _Entry.Original_release_date 2021-04-28 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 Bhargavi Ramaraju . . . 0000-0002-5408-3468 50916 2 Lalit Deshmukh . . . 0000-0001-6126-1560 50916 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50916 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 109 50916 '15N chemical shifts' 36 50916 '1H chemical shifts' 36 50916 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 3 . . 2021-08-25 2021-04-28 update author 'update entry citation' 50916 2 . . 2021-08-05 2021-04-28 update BMRB 'update entry citation' 50916 1 . . 2021-07-29 2021-04-28 original author 'original release' 50916 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50916 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 34342986 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Quantitative NMR Study of Insulin-Degrading Enzyme Using Amyloid-beta and HIV-1 p6 Elucidates Its Chaperone Activity ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 60 _Citation.Journal_issue 33 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 2519 _Citation.Page_last 2523 _Citation.Year 2021 _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 Bhargavi Ramaraju . . . . 50916 1 2 Spencer Nelson . L. . . 50916 1 3 Wenwei Zheng . . . . 50916 1 4 Rodolfo Ghirlando . . . . 50916 1 5 Lalit Deshmukh . . . . 50916 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Amyloid, HIV, Chaperone, NMR, Insulin-degrading enzyme' 50916 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50916 _Assembly.ID 1 _Assembly.Name 'HIV-1 p6' _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 'HIV-1 p6' 1 $entity_1 . . yes native no no . . . 50916 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50916 _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 ; SRPEPTAPPEESFRSGVETT TPPQKQEPIDKELYPLTSLR SLFGNDPSSQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '451 SRPEPTAPPEESFRSGVETTTPPQKQEPIDKELYPLTSLRSLFGNDPSSQ 500' _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 50 _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 P04591 . 'Gag polyprotein' . . . . . . . . . . . . . . 50916 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'viral replication' 50916 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 1 451 SER . 50916 1 2 452 ARG . 50916 1 3 453 PRO . 50916 1 4 454 GLU . 50916 1 5 455 PRO . 50916 1 6 456 THR . 50916 1 7 457 ALA . 50916 1 8 458 PRO . 50916 1 9 459 PRO . 50916 1 10 460 GLU . 50916 1 11 461 GLU . 50916 1 12 462 SER . 50916 1 13 463 PHE . 50916 1 14 464 ARG . 50916 1 15 465 SER . 50916 1 16 466 GLY . 50916 1 17 467 VAL . 50916 1 18 468 GLU . 50916 1 19 469 THR . 50916 1 20 470 THR . 50916 1 21 471 THR . 50916 1 22 472 PRO . 50916 1 23 473 PRO . 50916 1 24 474 GLN . 50916 1 25 475 LYS . 50916 1 26 476 GLN . 50916 1 27 477 GLU . 50916 1 28 478 PRO . 50916 1 29 479 ILE . 50916 1 30 480 ASP . 50916 1 31 481 LYS . 50916 1 32 482 GLU . 50916 1 33 483 LEU . 50916 1 34 484 TYR . 50916 1 35 485 PRO . 50916 1 36 486 LEU . 50916 1 37 487 THR . 50916 1 38 488 SER . 50916 1 39 489 LEU . 50916 1 40 490 ARG . 50916 1 41 491 SER . 50916 1 42 492 LEU . 50916 1 43 493 PHE . 50916 1 44 494 GLY . 50916 1 45 495 ASN . 50916 1 46 496 ASP . 50916 1 47 497 PRO . 50916 1 48 498 SER . 50916 1 49 499 SER . 50916 1 50 500 GLN . 50916 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 . SER 1 1 50916 1 . ARG 2 2 50916 1 . PRO 3 3 50916 1 . GLU 4 4 50916 1 . PRO 5 5 50916 1 . THR 6 6 50916 1 . ALA 7 7 50916 1 . PRO 8 8 50916 1 . PRO 9 9 50916 1 . GLU 10 10 50916 1 . GLU 11 11 50916 1 . SER 12 12 50916 1 . PHE 13 13 50916 1 . ARG 14 14 50916 1 . SER 15 15 50916 1 . GLY 16 16 50916 1 . VAL 17 17 50916 1 . GLU 18 18 50916 1 . THR 19 19 50916 1 . THR 20 20 50916 1 . THR 21 21 50916 1 . PRO 22 22 50916 1 . PRO 23 23 50916 1 . GLN 24 24 50916 1 . LYS 25 25 50916 1 . GLN 26 26 50916 1 . GLU 27 27 50916 1 . PRO 28 28 50916 1 . ILE 29 29 50916 1 . ASP 30 30 50916 1 . LYS 31 31 50916 1 . GLU 32 32 50916 1 . LEU 33 33 50916 1 . TYR 34 34 50916 1 . PRO 35 35 50916 1 . LEU 36 36 50916 1 . THR 37 37 50916 1 . SER 38 38 50916 1 . LEU 39 39 50916 1 . ARG 40 40 50916 1 . SER 41 41 50916 1 . LEU 42 42 50916 1 . PHE 43 43 50916 1 . GLY 44 44 50916 1 . ASN 45 45 50916 1 . ASP 46 46 50916 1 . PRO 47 47 50916 1 . SER 48 48 50916 1 . SER 49 49 50916 1 . GLN 50 50 50916 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 50916 _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 . 11676 organism . HIV-1 HIV-1 . . Viruses . Lentivirus HIV-1 HXB2 . . . . . . . . . . . . 50916 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 50916 _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 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . plasmid . . pET11a . . . 50916 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50916 _Sample.ID 1 _Sample.Name Sanple-1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 'HIV-1 p6' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.75 0.5 1 mM . . . . 50916 1 2 TRIS 'natural abundance' . . . . . . 20 . . mM . . . . 50916 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 50916 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 50916 _Sample_condition_list.ID 1 _Sample_condition_list.Name condition-1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 50916 1 pH 7.2 . pH 50916 1 pressure 1 . atm 50916 1 temperature 275.15 . K 50916 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50916 _Software.ID 1 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50916 1 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 50916 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name Bruker-1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 50916 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name Bruker-2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE NEO' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 50916 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . . 50916 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50916 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50916 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50916 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 50916 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name ref-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 water protons . . . . ppm 4.7 na indirect . . . . . . 50916 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 50916 1 N 15 water protons . . . . ppm 4.7 na indirect . . . . . . 50916 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 50916 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name shift-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 $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 1 '2D 1H-15N HSQC' . . . 50916 1 2 '3D HNCO' . . . 50916 1 3 '3D HNCA' . . . 50916 1 4 '3D HNCACB' . . . 50916 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 1 $software_1 . . 50916 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 3 3 PRO CA C 13 62.901 0.000 . 1 . . . . . 453 PRO CA . 50916 1 2 . 1 . 1 3 3 PRO CB C 13 31.893 0.000 . 1 . . . . . 453 PRO CB . 50916 1 3 . 1 . 1 4 4 GLU H H 1 8.292 0.000 . 1 . . . . . 454 GLU H . 50916 1 4 . 1 . 1 4 4 GLU CA C 13 54.274 0.000 . 1 . . . . . 454 GLU CA . 50916 1 5 . 1 . 1 4 4 GLU CB C 13 29.376 0.000 . 1 . . . . . 454 GLU CB . 50916 1 6 . 1 . 1 4 4 GLU N N 15 123.759 0.000 . 1 . . . . . 454 GLU N . 50916 1 7 . 1 . 1 5 5 PRO C C 13 176.989 0.000 . 1 . . . . . 455 PRO C . 50916 1 8 . 1 . 1 5 5 PRO CA C 13 63.155 0.000 . 1 . . . . . 455 PRO CA . 50916 1 9 . 1 . 1 5 5 PRO CB C 13 31.986 0.000 . 1 . . . . . 455 PRO CB . 50916 1 10 . 1 . 1 6 6 THR H H 1 8.009 0.000 . 1 . . . . . 456 THR H . 50916 1 11 . 1 . 1 6 6 THR C C 13 173.931 0.000 . 1 . . . . . 456 THR C . 50916 1 12 . 1 . 1 6 6 THR CA C 13 61.683 0.000 . 1 . . . . . 456 THR CA . 50916 1 13 . 1 . 1 6 6 THR CB C 13 69.851 0.000 . 1 . . . . . 456 THR CB . 50916 1 14 . 1 . 1 6 6 THR N N 15 115.747 0.000 . 1 . . . . . 456 THR N . 50916 1 15 . 1 . 1 7 7 ALA H H 1 8.084 0.000 . 1 . . . . . 457 ALA H . 50916 1 16 . 1 . 1 7 7 ALA CA C 13 50.434 0.000 . 1 . . . . . 457 ALA CA . 50916 1 17 . 1 . 1 7 7 ALA CB C 13 17.933 0.000 . 1 . . . . . 457 ALA CB . 50916 1 18 . 1 . 1 7 7 ALA N N 15 129.188 0.000 . 1 . . . . . 457 ALA N . 50916 1 19 . 1 . 1 9 9 PRO C C 13 177.225 0.000 . 1 . . . . . 459 PRO C . 50916 1 20 . 1 . 1 9 9 PRO CA C 13 62.994 0.000 . 1 . . . . . 459 PRO CA . 50916 1 21 . 1 . 1 9 9 PRO CB C 13 31.874 0.000 . 1 . . . . . 459 PRO CB . 50916 1 22 . 1 . 1 10 10 GLU H H 1 8.382 0.000 . 1 . . . . . 460 GLU H . 50916 1 23 . 1 . 1 10 10 GLU C C 13 176.889 0.000 . 1 . . . . . 460 GLU C . 50916 1 24 . 1 . 1 10 10 GLU CA C 13 56.958 0.000 . 1 . . . . . 460 GLU CA . 50916 1 25 . 1 . 1 10 10 GLU CB C 13 29.943 0.000 . 1 . . . . . 460 GLU CB . 50916 1 26 . 1 . 1 10 10 GLU N N 15 122.048 0.000 . 1 . . . . . 460 GLU N . 50916 1 27 . 1 . 1 11 11 GLU H H 1 8.258 0.000 . 1 . . . . . 461 GLU H . 50916 1 28 . 1 . 1 11 11 GLU C C 13 176.626 0.000 . 1 . . . . . 461 GLU C . 50916 1 29 . 1 . 1 11 11 GLU CA C 13 56.857 0.000 . 1 . . . . . 461 GLU CA . 50916 1 30 . 1 . 1 11 11 GLU CB C 13 30.129 0.000 . 1 . . . . . 461 GLU CB . 50916 1 31 . 1 . 1 11 11 GLU N N 15 122.948 0.000 . 1 . . . . . 461 GLU N . 50916 1 32 . 1 . 1 12 12 SER H H 1 8.026 0.000 . 1 . . . . . 462 SER H . 50916 1 33 . 1 . 1 12 12 SER C C 13 174.348 0.000 . 1 . . . . . 462 SER C . 50916 1 34 . 1 . 1 12 12 SER CA C 13 58.594 0.000 . 1 . . . . . 462 SER CA . 50916 1 35 . 1 . 1 12 12 SER CB C 13 63.656 0.000 . 1 . . . . . 462 SER CB . 50916 1 36 . 1 . 1 12 12 SER N N 15 117.589 0.000 . 1 . . . . . 462 SER N . 50916 1 37 . 1 . 1 13 13 PHE H H 1 7.926 0.000 . 1 . . . . . 463 PHE H . 50916 1 38 . 1 . 1 13 13 PHE C C 13 175.611 0.000 . 1 . . . . . 463 PHE C . 50916 1 39 . 1 . 1 13 13 PHE CA C 13 57.913 0.000 . 1 . . . . . 463 PHE CA . 50916 1 40 . 1 . 1 13 13 PHE CB C 13 39.157 0.000 . 1 . . . . . 463 PHE CB . 50916 1 41 . 1 . 1 13 13 PHE N N 15 122.864 0.000 . 1 . . . . . 463 PHE N . 50916 1 42 . 1 . 1 14 14 ARG H H 1 7.844 0.000 . 1 . . . . . 464 ARG H . 50916 1 43 . 1 . 1 14 14 ARG CA C 13 55.793 0.000 . 1 . . . . . 464 ARG CA . 50916 1 44 . 1 . 1 14 14 ARG CB C 13 30.804 0.000 . 1 . . . . . 464 ARG CB . 50916 1 45 . 1 . 1 14 14 ARG N N 15 124.207 0.000 . 1 . . . . . 464 ARG N . 50916 1 46 . 1 . 1 15 15 SER H H 1 8.116 0.000 . 1 . . . . . 465 SER H . 50916 1 47 . 1 . 1 15 15 SER C C 13 175.033 0.000 . 1 . . . . . 465 SER C . 50916 1 48 . 1 . 1 15 15 SER CA C 13 58.405 0.000 . 1 . . . . . 465 SER CA . 50916 1 49 . 1 . 1 15 15 SER CB C 13 63.723 0.000 . 1 . . . . . 465 SER CB . 50916 1 50 . 1 . 1 15 15 SER N N 15 118.311 0.000 . 1 . . . . . 465 SER N . 50916 1 51 . 1 . 1 16 16 GLY H H 1 8.229 0.000 . 1 . . . . . 466 GLY H . 50916 1 52 . 1 . 1 16 16 GLY C C 13 174.099 0.000 . 1 . . . . . 466 GLY C . 50916 1 53 . 1 . 1 16 16 GLY CA C 13 45.186 0.000 . 1 . . . . . 466 GLY CA . 50916 1 54 . 1 . 1 16 16 GLY N N 15 111.977 0.000 . 1 . . . . . 466 GLY N . 50916 1 55 . 1 . 1 17 17 VAL H H 1 7.699 0.000 . 1 . . . . . 467 VAL H . 50916 1 56 . 1 . 1 17 17 VAL C C 13 176.190 0.000 . 1 . . . . . 467 VAL C . 50916 1 57 . 1 . 1 17 17 VAL CA C 13 62.209 0.000 . 1 . . . . . 467 VAL CA . 50916 1 58 . 1 . 1 17 17 VAL CB C 13 32.503 0.000 . 1 . . . . . 467 VAL CB . 50916 1 59 . 1 . 1 17 17 VAL N N 15 119.729 0.000 . 1 . . . . . 467 VAL N . 50916 1 60 . 1 . 1 18 18 GLU H H 1 8.361 0.000 . 1 . . . . . 468 GLU H . 50916 1 61 . 1 . 1 18 18 GLU CA C 13 56.518 0.000 . 1 . . . . . 468 GLU CA . 50916 1 62 . 1 . 1 18 18 GLU CB C 13 30.022 0.000 . 1 . . . . . 468 GLU CB . 50916 1 63 . 1 . 1 18 18 GLU N N 15 125.710 0.000 . 1 . . . . . 468 GLU N . 50916 1 64 . 1 . 1 19 19 THR H H 1 8.081 0.000 . 1 . . . . . 469 THR H . 50916 1 65 . 1 . 1 19 19 THR C C 13 174.368 0.000 . 1 . . . . . 469 THR C . 50916 1 66 . 1 . 1 19 19 THR CA C 13 61.757 0.000 . 1 . . . . . 469 THR CA . 50916 1 67 . 1 . 1 19 19 THR CB C 13 69.703 0.000 . 1 . . . . . 469 THR CB . 50916 1 68 . 1 . 1 19 19 THR N N 15 116.993 0.000 . 1 . . . . . 469 THR N . 50916 1 69 . 1 . 1 20 20 THR H H 1 8.083 0.000 . 1 . . . . . 470 THR H . 50916 1 70 . 1 . 1 20 20 THR CA C 13 59.949 0.000 . 1 . . . . . 470 THR CA . 50916 1 71 . 1 . 1 20 20 THR CB C 13 69.784 0.000 . 1 . . . . . 470 THR CB . 50916 1 72 . 1 . 1 20 20 THR N N 15 121.250 0.000 . 1 . . . . . 470 THR N . 50916 1 73 . 1 . 1 21 21 THR H H 1 7.985 0.000 . 1 . . . . . 471 THR H . 50916 1 74 . 1 . 1 21 21 THR CA C 13 61.756 0.000 . 1 . . . . . 471 THR CA . 50916 1 75 . 1 . 1 21 21 THR CB C 13 69.842 0.000 . 1 . . . . . 471 THR CB . 50916 1 76 . 1 . 1 21 21 THR N N 15 117.736 0.000 . 1 . . . . . 471 THR N . 50916 1 77 . 1 . 1 23 23 PRO CA C 13 62.817 0.000 . 1 . . . . . 473 PRO CA . 50916 1 78 . 1 . 1 23 23 PRO CB C 13 31.893 0.000 . 1 . . . . . 473 PRO CB . 50916 1 79 . 1 . 1 24 24 GLN H H 1 8.261 0.000 . 1 . . . . . 474 GLN H . 50916 1 80 . 1 . 1 24 24 GLN C C 13 175.887 0.000 . 1 . . . . . 474 GLN C . 50916 1 81 . 1 . 1 24 24 GLN CA C 13 55.599 0.000 . 1 . . . . . 474 GLN CA . 50916 1 82 . 1 . 1 24 24 GLN CB C 13 29.443 0.000 . 1 . . . . . 474 GLN CB . 50916 1 83 . 1 . 1 24 24 GLN N N 15 121.784 0.000 . 1 . . . . . 474 GLN N . 50916 1 84 . 1 . 1 25 25 LYS H H 1 8.229 0.000 . 1 . . . . . 475 LYS H . 50916 1 85 . 1 . 1 25 25 LYS CA C 13 56.240 0.000 . 1 . . . . . 475 LYS CA . 50916 1 86 . 1 . 1 25 25 LYS CB C 13 32.914 0.000 . 1 . . . . . 475 LYS CB . 50916 1 87 . 1 . 1 25 25 LYS N N 15 124.657 0.000 . 1 . . . . . 475 LYS N . 50916 1 88 . 1 . 1 26 26 GLN H H 1 8.275 0.000 . 1 . . . . . 476 GLN H . 50916 1 89 . 1 . 1 26 26 GLN C C 13 175.524 0.000 . 1 . . . . . 476 GLN C . 50916 1 90 . 1 . 1 26 26 GLN CA C 13 55.345 0.000 . 1 . . . . . 476 GLN CA . 50916 1 91 . 1 . 1 26 26 GLN N N 15 123.805 0.000 . 1 . . . . . 476 GLN N . 50916 1 92 . 1 . 1 27 27 GLU H H 1 8.329 0.000 . 1 . . . . . 477 GLU H . 50916 1 93 . 1 . 1 27 27 GLU CA C 13 54.305 0.000 . 1 . . . . . 477 GLU CA . 50916 1 94 . 1 . 1 27 27 GLU CB C 13 29.417 0.000 . 1 . . . . . 477 GLU CB . 50916 1 95 . 1 . 1 27 27 GLU N N 15 125.613 0.000 . 1 . . . . . 477 GLU N . 50916 1 96 . 1 . 1 28 28 PRO C C 13 176.821 0.000 . 1 . . . . . 478 PRO C . 50916 1 97 . 1 . 1 28 28 PRO CA C 13 62.963 0.000 . 1 . . . . . 478 PRO CA . 50916 1 98 . 1 . 1 28 28 PRO CB C 13 31.865 0.000 . 1 . . . . . 478 PRO CB . 50916 1 99 . 1 . 1 29 29 ILE H H 1 8.013 0.000 . 1 . . . . . 479 ILE H . 50916 1 100 . 1 . 1 29 29 ILE C C 13 175.948 0.000 . 1 . . . . . 479 ILE C . 50916 1 101 . 1 . 1 29 29 ILE CA C 13 61.113 0.000 . 1 . . . . . 479 ILE CA . 50916 1 102 . 1 . 1 29 29 ILE CB C 13 38.822 0.000 . 1 . . . . . 479 ILE CB . 50916 1 103 . 1 . 1 29 29 ILE N N 15 121.835 0.000 . 1 . . . . . 479 ILE N . 50916 1 104 . 1 . 1 30 30 ASP H H 1 8.130 0.000 . 1 . . . . . 480 ASP H . 50916 1 105 . 1 . 1 30 30 ASP C C 13 176.163 0.000 . 1 . . . . . 480 ASP C . 50916 1 106 . 1 . 1 30 30 ASP CA C 13 54.186 0.000 . 1 . . . . . 480 ASP CA . 50916 1 107 . 1 . 1 30 30 ASP CB C 13 40.900 0.000 . 1 . . . . . 480 ASP CB . 50916 1 108 . 1 . 1 30 30 ASP N N 15 125.121 0.000 . 1 . . . . . 480 ASP N . 50916 1 109 . 1 . 1 31 31 LYS H H 1 8.013 0.000 . 1 . . . . . 481 LYS H . 50916 1 110 . 1 . 1 31 31 LYS C C 13 176.606 0.000 . 1 . . . . . 481 LYS C . 50916 1 111 . 1 . 1 31 31 LYS CA C 13 56.669 0.000 . 1 . . . . . 481 LYS CA . 50916 1 112 . 1 . 1 31 31 LYS CB C 13 32.623 0.000 . 1 . . . . . 481 LYS CB . 50916 1 113 . 1 . 1 31 31 LYS N N 15 123.220 0.000 . 1 . . . . . 481 LYS N . 50916 1 114 . 1 . 1 32 32 GLU H H 1 8.104 0.000 . 1 . . . . . 482 GLU H . 50916 1 115 . 1 . 1 32 32 GLU C C 13 176.257 0.000 . 1 . . . . . 482 GLU C . 50916 1 116 . 1 . 1 32 32 GLU CA C 13 56.512 0.000 . 1 . . . . . 482 GLU CA . 50916 1 117 . 1 . 1 32 32 GLU CB C 13 29.684 0.000 . 1 . . . . . 482 GLU CB . 50916 1 118 . 1 . 1 32 32 GLU N N 15 121.764 0.000 . 1 . . . . . 482 GLU N . 50916 1 119 . 1 . 1 33 33 LEU H H 1 7.720 0.000 . 1 . . . . . 483 LEU H . 50916 1 120 . 1 . 1 33 33 LEU C C 13 176.593 0.000 . 1 . . . . . 483 LEU C . 50916 1 121 . 1 . 1 33 33 LEU CA C 13 55.189 0.000 . 1 . . . . . 483 LEU CA . 50916 1 122 . 1 . 1 33 33 LEU CB C 13 42.309 0.000 . 1 . . . . . 483 LEU CB . 50916 1 123 . 1 . 1 33 33 LEU N N 15 123.109 0.000 . 1 . . . . . 483 LEU N . 50916 1 124 . 1 . 1 34 34 TYR H H 1 7.823 0.000 . 1 . . . . . 484 TYR H . 50916 1 125 . 1 . 1 34 34 TYR CA C 13 55.446 0.000 . 1 . . . . . 484 TYR CA . 50916 1 126 . 1 . 1 34 34 TYR CB C 13 37.930 0.000 . 1 . . . . . 484 TYR CB . 50916 1 127 . 1 . 1 34 34 TYR N N 15 120.965 0.000 . 1 . . . . . 484 TYR N . 50916 1 128 . 1 . 1 35 35 PRO C C 13 176.983 0.000 . 1 . . . . . 485 PRO C . 50916 1 129 . 1 . 1 35 35 PRO CA C 13 63.089 0.000 . 1 . . . . . 485 PRO CA . 50916 1 130 . 1 . 1 35 35 PRO CB C 13 31.931 0.000 . 1 . . . . . 485 PRO CB . 50916 1 131 . 1 . 1 36 36 LEU H H 1 8.214 0.000 . 1 . . . . . 486 LEU H . 50916 1 132 . 1 . 1 36 36 LEU C C 13 177.702 0.000 . 1 . . . . . 486 LEU C . 50916 1 133 . 1 . 1 36 36 LEU CA C 13 55.599 0.000 . 1 . . . . . 486 LEU CA . 50916 1 134 . 1 . 1 36 36 LEU CB C 13 41.958 0.000 . 1 . . . . . 486 LEU CB . 50916 1 135 . 1 . 1 36 36 LEU N N 15 122.805 0.000 . 1 . . . . . 486 LEU N . 50916 1 136 . 1 . 1 37 37 THR H H 1 7.783 0.000 . 1 . . . . . 487 THR H . 50916 1 137 . 1 . 1 37 37 THR CA C 13 62.088 0.000 . 1 . . . . . 487 THR CA . 50916 1 138 . 1 . 1 37 37 THR CB C 13 69.637 0.000 . 1 . . . . . 487 THR CB . 50916 1 139 . 1 . 1 37 37 THR N N 15 114.636 0.000 . 1 . . . . . 487 THR N . 50916 1 140 . 1 . 1 39 39 LEU CA C 13 55.353 0.000 . 1 . . . . . 489 LEU CA . 50916 1 141 . 1 . 1 39 39 LEU CB C 13 41.941 0.000 . 1 . . . . . 489 LEU CB . 50916 1 142 . 1 . 1 40 40 ARG H H 1 7.987 0.000 . 1 . . . . . 490 ARG H . 50916 1 143 . 1 . 1 40 40 ARG CA C 13 56.219 0.000 . 1 . . . . . 490 ARG CA . 50916 1 144 . 1 . 1 40 40 ARG CB C 13 30.431 0.000 . 1 . . . . . 490 ARG CB . 50916 1 145 . 1 . 1 40 40 ARG N N 15 122.279 0.000 . 1 . . . . . 490 ARG N . 50916 1 146 . 1 . 1 41 41 SER C C 13 174.590 0.000 . 1 . . . . . 491 SER C . 50916 1 147 . 1 . 1 41 41 SER CA C 13 58.377 0.000 . 1 . . . . . 491 SER CA . 50916 1 148 . 1 . 1 41 41 SER CB C 13 63.769 0.000 . 1 . . . . . 491 SER CB . 50916 1 149 . 1 . 1 42 42 LEU H H 1 7.977 0.000 . 1 . . . . . 492 LEU H . 50916 1 150 . 1 . 1 42 42 LEU C C 13 177.117 0.000 . 1 . . . . . 492 LEU C . 50916 1 151 . 1 . 1 42 42 LEU CA C 13 55.399 0.000 . 1 . . . . . 492 LEU CA . 50916 1 152 . 1 . 1 42 42 LEU CB C 13 41.950 0.000 . 1 . . . . . 492 LEU CB . 50916 1 153 . 1 . 1 42 42 LEU N N 15 124.880 0.000 . 1 . . . . . 492 LEU N . 50916 1 154 . 1 . 1 43 43 PHE H H 1 7.878 0.000 . 1 . . . . . 493 PHE H . 50916 1 155 . 1 . 1 43 43 PHE CA C 13 57.587 0.000 . 1 . . . . . 493 PHE CA . 50916 1 156 . 1 . 1 43 43 PHE CB C 13 39.422 0.000 . 1 . . . . . 493 PHE CB . 50916 1 157 . 1 . 1 43 43 PHE N N 15 120.130 0.000 . 1 . . . . . 493 PHE N . 50916 1 158 . 1 . 1 44 44 GLY H H 1 7.962 0.000 . 1 . . . . . 494 GLY H . 50916 1 159 . 1 . 1 44 44 GLY CA C 13 45.186 0.000 . 1 . . . . . 494 GLY CA . 50916 1 160 . 1 . 1 44 44 GLY N N 15 110.809 0.000 . 1 . . . . . 494 GLY N . 50916 1 161 . 1 . 1 45 45 ASN H H 1 7.996 0.000 . 1 . . . . . 495 ASN H . 50916 1 162 . 1 . 1 45 45 ASN CA C 13 52.796 0.000 . 1 . . . . . 495 ASN CA . 50916 1 163 . 1 . 1 45 45 ASN CB C 13 39.100 0.000 . 1 . . . . . 495 ASN CB . 50916 1 164 . 1 . 1 45 45 ASN N N 15 119.016 0.000 . 1 . . . . . 495 ASN N . 50916 1 165 . 1 . 1 46 46 ASP H H 1 8.144 0.000 . 1 . . . . . 496 ASP H . 50916 1 166 . 1 . 1 46 46 ASP CA C 13 52.140 0.000 . 1 . . . . . 496 ASP CA . 50916 1 167 . 1 . 1 46 46 ASP CB C 13 40.921 0.000 . 1 . . . . . 496 ASP CB . 50916 1 168 . 1 . 1 46 46 ASP N N 15 122.637 0.000 . 1 . . . . . 496 ASP N . 50916 1 169 . 1 . 1 47 47 PRO CB C 13 31.893 0.000 . 1 . . . . . 497 PRO CB . 50916 1 170 . 1 . 1 48 48 SER H H 1 8.187 0.000 . 1 . . . . . 498 SER H . 50916 1 171 . 1 . 1 48 48 SER CA C 13 58.976 0.000 . 1 . . . . . 498 SER CA . 50916 1 172 . 1 . 1 48 48 SER CB C 13 63.611 0.000 . 1 . . . . . 498 SER CB . 50916 1 173 . 1 . 1 48 48 SER N N 15 116.115 0.000 . 1 . . . . . 498 SER N . 50916 1 174 . 1 . 1 49 49 SER H H 1 7.847 0.000 . 1 . . . . . 499 SER H . 50916 1 175 . 1 . 1 49 49 SER CA C 13 58.314 0.000 . 1 . . . . . 499 SER CA . 50916 1 176 . 1 . 1 49 49 SER CB C 13 63.810 0.000 . 1 . . . . . 499 SER CB . 50916 1 177 . 1 . 1 49 49 SER N N 15 118.717 0.000 . 1 . . . . . 499 SER N . 50916 1 178 . 1 . 1 50 50 GLN H H 1 7.644 0.000 . 1 . . . . . 500 GLN H . 50916 1 179 . 1 . 1 50 50 GLN CA C 13 57.320 0.000 . 1 . . . . . 500 GLN CA . 50916 1 180 . 1 . 1 50 50 GLN CB C 13 30.171 0.000 . 1 . . . . . 500 GLN CB . 50916 1 181 . 1 . 1 50 50 GLN N N 15 127.567 0.000 . 1 . . . . . 500 GLN N . 50916 1 stop_ save_