data_780 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 780 _Entry.Title ; Sequence-specific [1H]NMR resonance assignments and secondary structure identification for 1- and 2-zinc finger constructs from SWI5 A hydrophobic core involving four invariant residues ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-03-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 David Neuhaus . . . 780 2 Yukinobu Nakaseko . . . 780 3 Kiyoshi Nagai . . . 780 4 Aaron Klug . . . 780 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 780 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 238 780 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 4 . . 2010-06-11 . revision BMRB 'Complete natural source information' 780 3 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 780 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 780 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 780 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 780 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Neuhaus, David, Nakaseko, Yukinobu, Nagai, Kiyoshi, Klug, Aaron, "Sequence-specific [1H]NMR resonance assignments and secondary structure identification for 1- and 2-zinc finger constructs from SWI5 A hydrophobic core involving four invariant residues," FEBS Lett. 262 (2), 179-184 (1990). ; _Citation.Title ; Sequence-specific [1H]NMR resonance assignments and secondary structure identification for 1- and 2-zinc finger constructs from SWI5 A hydrophobic core involving four invariant residues ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 262 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 179 _Citation.Page_last 184 _Citation.Year 1990 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 David Neuhaus . . . 780 1 2 Yukinobu Nakaseko . . . 780 1 3 Kiyoshi Nagai . . . 780 1 4 Aaron Klug . . . 780 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SWI5_zinc_finger _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SWI5_zinc_finger _Assembly.Entry_ID 780 _Assembly.ID 1 _Assembly.Name 'SWI5 zinc finger' _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 . _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 'SWI5 zinc finger' 1 $SWI5_zinc_finger . . . . . . . . . 780 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'SWI5 zinc finger' system 780 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SWI5_zinc_finger _Entity.Sf_category entity _Entity.Sf_framecode SWI5_zinc_finger _Entity.Entry_ID 780 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'SWI5 zinc finger' _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 ; MLEDRPYSCDHPGCDKAFVR NHDLIRHKKSHQEKA ; _Entity.Polymer_seq_one_letter_code ; MLEDRPYSCDHPGCDKAFVR NHDLIRHKKSHQEKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 35 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 781 . "SWI5 zinc finger" . . . . . 100.00 35 100.00 100.00 1.02e-16 . . . . 780 1 2 no PDB 1ZFD . "Swi5 Zinc Finger Domain 2, Nmr, 45 Structures" . . . . . 91.43 32 100.00 100.00 2.67e-14 . . . . 780 1 3 no DBJ GAA22378 . "K7_Swi5p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 97.14 709 100.00 100.00 7.53e-15 . . . . 780 1 4 no EMBL CAA30040 . "unnamed protein product [Saccharomyces cerevisiae]" . . . . . 97.14 709 100.00 100.00 7.53e-15 . . . . 780 1 5 no EMBL CAA90369 . "Swi5p [Saccharomyces cerevisiae]" . . . . . 97.14 709 100.00 100.00 7.53e-15 . . . . 780 1 6 no EMBL CAY78651 . "Swi5p [Saccharomyces cerevisiae EC1118]" . . . . . 97.14 709 100.00 100.00 7.91e-15 . . . . 780 1 7 no GB AAU09695 . "YDR146C [Saccharomyces cerevisiae]" . . . . . 97.14 709 100.00 100.00 7.83e-15 . . . . 780 1 8 no GB AHY75135 . "Swi5p [Saccharomyces cerevisiae YJM993]" . . . . . 97.14 709 100.00 100.00 8.63e-15 . . . . 780 1 9 no GB EDN60486 . "transcriptional activator [Saccharomyces cerevisiae YJM789]" . . . . . 97.14 709 100.00 100.00 7.53e-15 . . . . 780 1 10 no GB EDV08163 . "transcriptional factor SWI5 [Saccharomyces cerevisiae RM11-1a]" . . . . . 97.14 709 100.00 100.00 8.63e-15 . . . . 780 1 11 no GB EDZ73101 . "YDR146Cp-like protein [Saccharomyces cerevisiae AWRI1631]" . . . . . 97.14 571 100.00 100.00 3.71e-14 . . . . 780 1 12 no REF NP_010430 . "Swi5p [Saccharomyces cerevisiae S288c]" . . . . . 97.14 709 100.00 100.00 7.53e-15 . . . . 780 1 13 no SP P08153 . "RecName: Full=Transcriptional factor SWI5 [Saccharomyces cerevisiae S288c]" . . . . . 97.14 709 100.00 100.00 7.53e-15 . . . . 780 1 14 no TPG DAA11989 . "TPA: DNA-binding transcription factor SWI5 [Saccharomyces cerevisiae S288c]" . . . . . 97.14 709 100.00 100.00 7.53e-15 . . . . 780 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'SWI5 zinc finger' common 780 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 . MET . 780 1 2 . LEU . 780 1 3 . GLU . 780 1 4 . ASP . 780 1 5 . ARG . 780 1 6 . PRO . 780 1 7 . TYR . 780 1 8 . SER . 780 1 9 . CYS . 780 1 10 . ASP . 780 1 11 . HIS . 780 1 12 . PRO . 780 1 13 . GLY . 780 1 14 . CYS . 780 1 15 . ASP . 780 1 16 . LYS . 780 1 17 . ALA . 780 1 18 . PHE . 780 1 19 . VAL . 780 1 20 . ARG . 780 1 21 . ASN . 780 1 22 . HIS . 780 1 23 . ASP . 780 1 24 . LEU . 780 1 25 . ILE . 780 1 26 . ARG . 780 1 27 . HIS . 780 1 28 . LYS . 780 1 29 . LYS . 780 1 30 . SER . 780 1 31 . HIS . 780 1 32 . GLN . 780 1 33 . GLU . 780 1 34 . LYS . 780 1 35 . ALA . 780 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 . MET 1 1 780 1 . LEU 2 2 780 1 . GLU 3 3 780 1 . ASP 4 4 780 1 . ARG 5 5 780 1 . PRO 6 6 780 1 . TYR 7 7 780 1 . SER 8 8 780 1 . CYS 9 9 780 1 . ASP 10 10 780 1 . HIS 11 11 780 1 . PRO 12 12 780 1 . GLY 13 13 780 1 . CYS 14 14 780 1 . ASP 15 15 780 1 . LYS 16 16 780 1 . ALA 17 17 780 1 . PHE 18 18 780 1 . VAL 19 19 780 1 . ARG 20 20 780 1 . ASN 21 21 780 1 . HIS 22 22 780 1 . ASP 23 23 780 1 . LEU 24 24 780 1 . ILE 25 25 780 1 . ARG 26 26 780 1 . HIS 27 27 780 1 . LYS 28 28 780 1 . LYS 29 29 780 1 . SER 30 30 780 1 . HIS 31 31 780 1 . GLN 32 32 780 1 . GLU 33 33 780 1 . LYS 34 34 780 1 . ALA 35 35 780 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 780 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $SWI5_zinc_finger . 4932 organism . 'Saccharomyces cerevisiae' yeast . . Eukaryota Fungi Saccharomyces cerevisiae generic . . . . . . . . . . . . . . . . . . . . 780 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 780 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $SWI5_zinc_finger . 'not available' 'Escherichia coli' . . . Escherichia coli BL21-(DE3) . . . . . . . . . . . . . . . . . . . . . . 780 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 780 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 780 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . na 780 1 temperature 283 . K 780 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 780 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 780 _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 unknown unknown . 0 'spectrometer information not available' . . 780 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 780 _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 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 780 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 780 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H . TSP . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 780 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 780 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 780 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.12 . . 1 . . . . . . . . 780 1 2 . 1 1 1 1 MET HB2 H 1 2.16 . . 1 . . . . . . . . 780 1 3 . 1 1 1 1 MET HB3 H 1 2.16 . . 1 . . . . . . . . 780 1 4 . 1 1 1 1 MET HG2 H 1 2.605 . . 1 . . . . . . . . 780 1 5 . 1 1 1 1 MET HG3 H 1 2.605 . . 1 . . . . . . . . 780 1 6 . 1 1 1 1 MET HE1 H 1 2.12 . . 1 . . . . . . . . 780 1 7 . 1 1 1 1 MET HE2 H 1 2.12 . . 1 . . . . . . . . 780 1 8 . 1 1 1 1 MET HE3 H 1 2.12 . . 1 . . . . . . . . 780 1 9 . 1 1 2 2 LEU H H 1 8.82 . . 1 . . . . . . . . 780 1 10 . 1 1 2 2 LEU HA H 1 4.37 . . 1 . . . . . . . . 780 1 11 . 1 1 2 2 LEU HB2 H 1 1.635 . . 1 . . . . . . . . 780 1 12 . 1 1 2 2 LEU HB3 H 1 1.635 . . 1 . . . . . . . . 780 1 13 . 1 1 2 2 LEU HD11 H 1 .9 . . 2 . . . . . . . . 780 1 14 . 1 1 2 2 LEU HD12 H 1 .9 . . 2 . . . . . . . . 780 1 15 . 1 1 2 2 LEU HD13 H 1 .9 . . 2 . . . . . . . . 780 1 16 . 1 1 2 2 LEU HD21 H 1 .935 . . 2 . . . . . . . . 780 1 17 . 1 1 2 2 LEU HD22 H 1 .935 . . 2 . . . . . . . . 780 1 18 . 1 1 2 2 LEU HD23 H 1 .935 . . 2 . . . . . . . . 780 1 19 . 1 1 3 3 GLU H H 1 8.695 . . 1 . . . . . . . . 780 1 20 . 1 1 3 3 GLU HA H 1 4.24 . . 1 . . . . . . . . 780 1 21 . 1 1 3 3 GLU HB2 H 1 1.92 . . 2 . . . . . . . . 780 1 22 . 1 1 3 3 GLU HB3 H 1 2.01 . . 2 . . . . . . . . 780 1 23 . 1 1 3 3 GLU HG2 H 1 2.25 . . 1 . . . . . . . . 780 1 24 . 1 1 3 3 GLU HG3 H 1 2.25 . . 1 . . . . . . . . 780 1 25 . 1 1 4 4 ASP H H 1 8.52 . . 1 . . . . . . . . 780 1 26 . 1 1 4 4 ASP HA H 1 4.48 . . 1 . . . . . . . . 780 1 27 . 1 1 4 4 ASP HB2 H 1 2.615 . . 1 . . . . . . . . 780 1 28 . 1 1 4 4 ASP HB3 H 1 2.615 . . 1 . . . . . . . . 780 1 29 . 1 1 5 5 ARG H H 1 8.15 . . 1 . . . . . . . . 780 1 30 . 1 1 5 5 ARG HA H 1 4.565 . . 1 . . . . . . . . 780 1 31 . 1 1 5 5 ARG HB2 H 1 1.565 . . 1 . . . . . . . . 780 1 32 . 1 1 5 5 ARG HB3 H 1 1.565 . . 1 . . . . . . . . 780 1 33 . 1 1 5 5 ARG HG2 H 1 1.34 . . 2 . . . . . . . . 780 1 34 . 1 1 5 5 ARG HG3 H 1 1.51 . . 2 . . . . . . . . 780 1 35 . 1 1 5 5 ARG HD2 H 1 2.98 . . 1 . . . . . . . . 780 1 36 . 1 1 5 5 ARG HD3 H 1 2.98 . . 1 . . . . . . . . 780 1 37 . 1 1 5 5 ARG HE H 1 7.185 . . 1 . . . . . . . . 780 1 38 . 1 1 6 6 PRO HA H 1 4.28 . . 1 . . . . . . . . 780 1 39 . 1 1 6 6 PRO HB2 H 1 2.07 . . 2 . . . . . . . . 780 1 40 . 1 1 6 6 PRO HB3 H 1 1.22 . . 2 . . . . . . . . 780 1 41 . 1 1 6 6 PRO HG2 H 1 1.68 . . 2 . . . . . . . . 780 1 42 . 1 1 6 6 PRO HG3 H 1 1.85 . . 2 . . . . . . . . 780 1 43 . 1 1 6 6 PRO HD2 H 1 3.805 . . 2 . . . . . . . . 780 1 44 . 1 1 6 6 PRO HD3 H 1 3.625 . . 2 . . . . . . . . 780 1 45 . 1 1 7 7 TYR H H 1 7.88 . . 1 . . . . . . . . 780 1 46 . 1 1 7 7 TYR HA H 1 4.98 . . 1 . . . . . . . . 780 1 47 . 1 1 7 7 TYR HB2 H 1 2.87 . . 2 . . . . . . . . 780 1 48 . 1 1 7 7 TYR HB3 H 1 3.1 . . 2 . . . . . . . . 780 1 49 . 1 1 7 7 TYR HD1 H 1 7.05 . . 1 . . . . . . . . 780 1 50 . 1 1 7 7 TYR HD2 H 1 7.05 . . 1 . . . . . . . . 780 1 51 . 1 1 7 7 TYR HE1 H 1 6.94 . . 1 . . . . . . . . 780 1 52 . 1 1 7 7 TYR HE2 H 1 6.94 . . 1 . . . . . . . . 780 1 53 . 1 1 8 8 SER H H 1 8.59 . . 1 . . . . . . . . 780 1 54 . 1 1 8 8 SER HB2 H 1 3.895 . . 1 . . . . . . . . 780 1 55 . 1 1 8 8 SER HB3 H 1 3.895 . . 1 . . . . . . . . 780 1 56 . 1 1 9 9 CYS H H 1 8.73 . . 1 . . . . . . . . 780 1 57 . 1 1 9 9 CYS HA H 1 4.265 . . 1 . . . . . . . . 780 1 58 . 1 1 9 9 CYS HB2 H 1 2.83 . . 2 . . . . . . . . 780 1 59 . 1 1 9 9 CYS HB3 H 1 3.32 . . 2 . . . . . . . . 780 1 60 . 1 1 10 10 ASP H H 1 8.44 . . 1 . . . . . . . . 780 1 61 . 1 1 10 10 ASP HA H 1 4.81 . . 1 . . . . . . . . 780 1 62 . 1 1 10 10 ASP HB2 H 1 2.72 . . 2 . . . . . . . . 780 1 63 . 1 1 10 10 ASP HB3 H 1 3.07 . . 2 . . . . . . . . 780 1 64 . 1 1 11 11 HIS H H 1 9.48 . . 1 . . . . . . . . 780 1 65 . 1 1 11 11 HIS HA H 1 4.52 . . 1 . . . . . . . . 780 1 66 . 1 1 11 11 HIS HB2 H 1 2.67 . . 1 . . . . . . . . 780 1 67 . 1 1 11 11 HIS HB3 H 1 2.67 . . 1 . . . . . . . . 780 1 68 . 1 1 11 11 HIS HD2 H 1 6.745 . . 1 . . . . . . . . 780 1 69 . 1 1 11 11 HIS HE1 H 1 8.135 . . 1 . . . . . . . . 780 1 70 . 1 1 12 12 PRO HA H 1 4.18 . . 1 . . . . . . . . 780 1 71 . 1 1 12 12 PRO HB2 H 1 2.17 . . 2 . . . . . . . . 780 1 72 . 1 1 12 12 PRO HB3 H 1 1.75 . . 2 . . . . . . . . 780 1 73 . 1 1 12 12 PRO HG2 H 1 1.82 . . 2 . . . . . . . . 780 1 74 . 1 1 12 12 PRO HG3 H 1 2.34 . . 2 . . . . . . . . 780 1 75 . 1 1 12 12 PRO HD2 H 1 3.685 . . 1 . . . . . . . . 780 1 76 . 1 1 12 12 PRO HD3 H 1 3.685 . . 1 . . . . . . . . 780 1 77 . 1 1 13 13 GLY H H 1 8.98 . . 1 . . . . . . . . 780 1 78 . 1 1 13 13 GLY HA2 H 1 4.19 . . 2 . . . . . . . . 780 1 79 . 1 1 13 13 GLY HA3 H 1 3.71 . . 2 . . . . . . . . 780 1 80 . 1 1 14 14 CYS H H 1 8.225 . . 1 . . . . . . . . 780 1 81 . 1 1 14 14 CYS HA H 1 4.58 . . 1 . . . . . . . . 780 1 82 . 1 1 14 14 CYS HB2 H 1 2.8 . . 2 . . . . . . . . 780 1 83 . 1 1 14 14 CYS HB3 H 1 3.4 . . 2 . . . . . . . . 780 1 84 . 1 1 15 15 ASP H H 1 8.51 . . 1 . . . . . . . . 780 1 85 . 1 1 15 15 ASP HB2 H 1 2.63 . . 2 . . . . . . . . 780 1 86 . 1 1 15 15 ASP HB3 H 1 2.87 . . 2 . . . . . . . . 780 1 87 . 1 1 16 16 LYS H H 1 8.34 . . 1 . . . . . . . . 780 1 88 . 1 1 16 16 LYS HA H 1 4.04 . . 1 . . . . . . . . 780 1 89 . 1 1 16 16 LYS HB2 H 1 1.21 . . 2 . . . . . . . . 780 1 90 . 1 1 16 16 LYS HB3 H 1 1.41 . . 2 . . . . . . . . 780 1 91 . 1 1 16 16 LYS HG2 H 1 1.29 . . 1 . . . . . . . . 780 1 92 . 1 1 16 16 LYS HG3 H 1 1.29 . . 1 . . . . . . . . 780 1 93 . 1 1 16 16 LYS HD2 H 1 1.44 . . 2 . . . . . . . . 780 1 94 . 1 1 16 16 LYS HD3 H 1 1.54 . . 2 . . . . . . . . 780 1 95 . 1 1 16 16 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 780 1 96 . 1 1 16 16 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 780 1 97 . 1 1 17 17 ALA H H 1 7.65 . . 1 . . . . . . . . 780 1 98 . 1 1 17 17 ALA HB1 H 1 1.2 . . 1 . . . . . . . . 780 1 99 . 1 1 17 17 ALA HB2 H 1 1.2 . . 1 . . . . . . . . 780 1 100 . 1 1 17 17 ALA HB3 H 1 1.2 . . 1 . . . . . . . . 780 1 101 . 1 1 18 18 PHE H H 1 8.58 . . 1 . . . . . . . . 780 1 102 . 1 1 18 18 PHE HA H 1 4.81 . . 1 . . . . . . . . 780 1 103 . 1 1 18 18 PHE HB2 H 1 2.71 . . 2 . . . . . . . . 780 1 104 . 1 1 18 18 PHE HB3 H 1 3.675 . . 2 . . . . . . . . 780 1 105 . 1 1 18 18 PHE HD1 H 1 7.37 . . 1 . . . . . . . . 780 1 106 . 1 1 18 18 PHE HD2 H 1 7.37 . . 1 . . . . . . . . 780 1 107 . 1 1 18 18 PHE HE1 H 1 6.975 . . 1 . . . . . . . . 780 1 108 . 1 1 18 18 PHE HE2 H 1 6.975 . . 1 . . . . . . . . 780 1 109 . 1 1 18 18 PHE HZ H 1 6.53 . . 1 . . . . . . . . 780 1 110 . 1 1 19 19 VAL H H 1 8.995 . . 1 . . . . . . . . 780 1 111 . 1 1 19 19 VAL HA H 1 4.24 . . 1 . . . . . . . . 780 1 112 . 1 1 19 19 VAL HB H 1 2.275 . . 1 . . . . . . . . 780 1 113 . 1 1 19 19 VAL HG11 H 1 1.15 . . 2 . . . . . . . . 780 1 114 . 1 1 19 19 VAL HG12 H 1 1.15 . . 2 . . . . . . . . 780 1 115 . 1 1 19 19 VAL HG13 H 1 1.15 . . 2 . . . . . . . . 780 1 116 . 1 1 19 19 VAL HG21 H 1 1.2 . . 2 . . . . . . . . 780 1 117 . 1 1 19 19 VAL HG22 H 1 1.2 . . 2 . . . . . . . . 780 1 118 . 1 1 19 19 VAL HG23 H 1 1.2 . . 2 . . . . . . . . 780 1 119 . 1 1 20 20 ARG H H 1 8.015 . . 1 . . . . . . . . 780 1 120 . 1 1 20 20 ARG HB2 H 1 1.755 . . 1 . . . . . . . . 780 1 121 . 1 1 20 20 ARG HB3 H 1 1.755 . . 1 . . . . . . . . 780 1 122 . 1 1 20 20 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 780 1 123 . 1 1 20 20 ARG HG3 H 1 2 . . 2 . . . . . . . . 780 1 124 . 1 1 20 20 ARG HD2 H 1 3.315 . . 1 . . . . . . . . 780 1 125 . 1 1 20 20 ARG HD3 H 1 3.315 . . 1 . . . . . . . . 780 1 126 . 1 1 20 20 ARG HE H 1 7.69 . . 1 . . . . . . . . 780 1 127 . 1 1 21 21 ASN H H 1 9.05 . . 1 . . . . . . . . 780 1 128 . 1 1 21 21 ASN HA H 1 3.68 . . 1 . . . . . . . . 780 1 129 . 1 1 21 21 ASN HB2 H 1 1.79 . . 2 . . . . . . . . 780 1 130 . 1 1 21 21 ASN HB3 H 1 2.46 . . 2 . . . . . . . . 780 1 131 . 1 1 21 21 ASN HD21 H 1 6.655 . . 2 . . . . . . . . 780 1 132 . 1 1 21 21 ASN HD22 H 1 7.49 . . 2 . . . . . . . . 780 1 133 . 1 1 22 22 HIS H H 1 9.55 . . 1 . . . . . . . . 780 1 134 . 1 1 22 22 HIS HA H 1 4.06 . . 1 . . . . . . . . 780 1 135 . 1 1 22 22 HIS HB2 H 1 2.99 . . 2 . . . . . . . . 780 1 136 . 1 1 22 22 HIS HB3 H 1 3.24 . . 2 . . . . . . . . 780 1 137 . 1 1 22 22 HIS HD2 H 1 7.135 . . 1 . . . . . . . . 780 1 138 . 1 1 22 22 HIS HE1 H 1 8.34 . . 1 . . . . . . . . 780 1 139 . 1 1 23 23 ASP H H 1 6.8 . . 1 . . . . . . . . 780 1 140 . 1 1 23 23 ASP HA H 1 4.31 . . 1 . . . . . . . . 780 1 141 . 1 1 23 23 ASP HB2 H 1 2.64 . . 2 . . . . . . . . 780 1 142 . 1 1 23 23 ASP HB3 H 1 2.87 . . 2 . . . . . . . . 780 1 143 . 1 1 24 24 LEU H H 1 7 . . 1 . . . . . . . . 780 1 144 . 1 1 24 24 LEU HA H 1 3.46 . . 1 . . . . . . . . 780 1 145 . 1 1 24 24 LEU HB2 H 1 1.43 . . 2 . . . . . . . . 780 1 146 . 1 1 24 24 LEU HB3 H 1 2.23 . . 2 . . . . . . . . 780 1 147 . 1 1 24 24 LEU HG H 1 1.57 . . 1 . . . . . . . . 780 1 148 . 1 1 24 24 LEU HD11 H 1 1.13 . . 2 . . . . . . . . 780 1 149 . 1 1 24 24 LEU HD12 H 1 1.13 . . 2 . . . . . . . . 780 1 150 . 1 1 24 24 LEU HD13 H 1 1.13 . . 2 . . . . . . . . 780 1 151 . 1 1 24 24 LEU HD21 H 1 1.22 . . 2 . . . . . . . . 780 1 152 . 1 1 24 24 LEU HD22 H 1 1.22 . . 2 . . . . . . . . 780 1 153 . 1 1 24 24 LEU HD23 H 1 1.22 . . 2 . . . . . . . . 780 1 154 . 1 1 25 25 ILE H H 1 8.24 . . 1 . . . . . . . . 780 1 155 . 1 1 25 25 ILE HA H 1 3.47 . . 1 . . . . . . . . 780 1 156 . 1 1 25 25 ILE HB H 1 1.72 . . 1 . . . . . . . . 780 1 157 . 1 1 25 25 ILE HG12 H 1 1.14 . . 2 . . . . . . . . 780 1 158 . 1 1 25 25 ILE HG13 H 1 1.52 . . 2 . . . . . . . . 780 1 159 . 1 1 25 25 ILE HG21 H 1 .85 . . 1 . . . . . . . . 780 1 160 . 1 1 25 25 ILE HG22 H 1 .85 . . 1 . . . . . . . . 780 1 161 . 1 1 25 25 ILE HG23 H 1 .85 . . 1 . . . . . . . . 780 1 162 . 1 1 25 25 ILE HD11 H 1 .72 . . 1 . . . . . . . . 780 1 163 . 1 1 25 25 ILE HD12 H 1 .72 . . 1 . . . . . . . . 780 1 164 . 1 1 25 25 ILE HD13 H 1 .72 . . 1 . . . . . . . . 780 1 165 . 1 1 26 26 ARG H H 1 7.36 . . 1 . . . . . . . . 780 1 166 . 1 1 26 26 ARG HA H 1 3.92 . . 1 . . . . . . . . 780 1 167 . 1 1 26 26 ARG HB2 H 1 1.77 . . 1 . . . . . . . . 780 1 168 . 1 1 26 26 ARG HB3 H 1 1.77 . . 1 . . . . . . . . 780 1 169 . 1 1 26 26 ARG HG2 H 1 1.54 . . 2 . . . . . . . . 780 1 170 . 1 1 26 26 ARG HG3 H 1 1.65 . . 2 . . . . . . . . 780 1 171 . 1 1 26 26 ARG HD2 H 1 3.185 . . 1 . . . . . . . . 780 1 172 . 1 1 26 26 ARG HD3 H 1 3.185 . . 1 . . . . . . . . 780 1 173 . 1 1 26 26 ARG HE H 1 7.47 . . 1 . . . . . . . . 780 1 174 . 1 1 27 27 HIS H H 1 7.75 . . 1 . . . . . . . . 780 1 175 . 1 1 27 27 HIS HA H 1 4.26 . . 1 . . . . . . . . 780 1 176 . 1 1 27 27 HIS HB2 H 1 3.17 . . 2 . . . . . . . . 780 1 177 . 1 1 27 27 HIS HB3 H 1 2.97 . . 2 . . . . . . . . 780 1 178 . 1 1 27 27 HIS HD2 H 1 7.155 . . 1 . . . . . . . . 780 1 179 . 1 1 27 27 HIS HE1 H 1 7.895 . . 1 . . . . . . . . 780 1 180 . 1 1 28 28 LYS H H 1 8.85 . . 1 . . . . . . . . 780 1 181 . 1 1 28 28 LYS HA H 1 3.65 . . 1 . . . . . . . . 780 1 182 . 1 1 28 28 LYS HB2 H 1 1.97 . . 1 . . . . . . . . 780 1 183 . 1 1 28 28 LYS HB3 H 1 1.97 . . 1 . . . . . . . . 780 1 184 . 1 1 28 28 LYS HG2 H 1 1.85 . . 1 . . . . . . . . 780 1 185 . 1 1 28 28 LYS HG3 H 1 1.85 . . 1 . . . . . . . . 780 1 186 . 1 1 28 28 LYS HD2 H 1 1.88 . . 1 . . . . . . . . 780 1 187 . 1 1 28 28 LYS HD3 H 1 1.88 . . 1 . . . . . . . . 780 1 188 . 1 1 28 28 LYS HE2 H 1 3.12 . . 2 . . . . . . . . 780 1 189 . 1 1 28 28 LYS HE3 H 1 3.26 . . 2 . . . . . . . . 780 1 190 . 1 1 29 29 LYS H H 1 7.24 . . 1 . . . . . . . . 780 1 191 . 1 1 29 29 LYS HA H 1 4.08 . . 1 . . . . . . . . 780 1 192 . 1 1 29 29 LYS HB2 H 1 1.87 . . 1 . . . . . . . . 780 1 193 . 1 1 29 29 LYS HB3 H 1 1.87 . . 1 . . . . . . . . 780 1 194 . 1 1 29 29 LYS HG2 H 1 1.47 . . 1 . . . . . . . . 780 1 195 . 1 1 29 29 LYS HG3 H 1 1.47 . . 1 . . . . . . . . 780 1 196 . 1 1 29 29 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 780 1 197 . 1 1 29 29 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 780 1 198 . 1 1 29 29 LYS HE2 H 1 2.93 . . 1 . . . . . . . . 780 1 199 . 1 1 29 29 LYS HE3 H 1 2.93 . . 1 . . . . . . . . 780 1 200 . 1 1 30 30 SER H H 1 7.81 . . 1 . . . . . . . . 780 1 201 . 1 1 30 30 SER HA H 1 4.18 . . 1 . . . . . . . . 780 1 202 . 1 1 30 30 SER HB2 H 1 3.74 . . 2 . . . . . . . . 780 1 203 . 1 1 30 30 SER HB3 H 1 3.83 . . 2 . . . . . . . . 780 1 204 . 1 1 31 31 HIS H H 1 7.125 . . 1 . . . . . . . . 780 1 205 . 1 1 31 31 HIS HA H 1 4.62 . . 1 . . . . . . . . 780 1 206 . 1 1 31 31 HIS HB2 H 1 2.96 . . 2 . . . . . . . . 780 1 207 . 1 1 31 31 HIS HB3 H 1 2.62 . . 2 . . . . . . . . 780 1 208 . 1 1 31 31 HIS HD2 H 1 6.4 . . 1 . . . . . . . . 780 1 209 . 1 1 31 31 HIS HE1 H 1 7.955 . . 1 . . . . . . . . 780 1 210 . 1 1 32 32 GLN H H 1 7.745 . . 1 . . . . . . . . 780 1 211 . 1 1 32 32 GLN HA H 1 4.36 . . 1 . . . . . . . . 780 1 212 . 1 1 32 32 GLN HB2 H 1 2.07 . . 2 . . . . . . . . 780 1 213 . 1 1 32 32 GLN HB3 H 1 2.2 . . 2 . . . . . . . . 780 1 214 . 1 1 32 32 GLN HG2 H 1 2.435 . . 1 . . . . . . . . 780 1 215 . 1 1 32 32 GLN HG3 H 1 2.435 . . 1 . . . . . . . . 780 1 216 . 1 1 32 32 GLN HE21 H 1 7 . . 2 . . . . . . . . 780 1 217 . 1 1 32 32 GLN HE22 H 1 7.69 . . 2 . . . . . . . . 780 1 218 . 1 1 33 33 GLU H H 1 8.52 . . 1 . . . . . . . . 780 1 219 . 1 1 33 33 GLU HA H 1 4.25 . . 1 . . . . . . . . 780 1 220 . 1 1 33 33 GLU HB2 H 1 1.98 . . 2 . . . . . . . . 780 1 221 . 1 1 33 33 GLU HB3 H 1 2.07 . . 2 . . . . . . . . 780 1 222 . 1 1 33 33 GLU HG2 H 1 2.34 . . 1 . . . . . . . . 780 1 223 . 1 1 33 33 GLU HG3 H 1 2.34 . . 1 . . . . . . . . 780 1 224 . 1 1 34 34 LYS H H 1 8.53 . . 1 . . . . . . . . 780 1 225 . 1 1 34 34 LYS HA H 1 4.35 . . 1 . . . . . . . . 780 1 226 . 1 1 34 34 LYS HB2 H 1 1.79 . . 2 . . . . . . . . 780 1 227 . 1 1 34 34 LYS HB3 H 1 1.9 . . 2 . . . . . . . . 780 1 228 . 1 1 34 34 LYS HG2 H 1 1.49 . . 1 . . . . . . . . 780 1 229 . 1 1 34 34 LYS HG3 H 1 1.49 . . 1 . . . . . . . . 780 1 230 . 1 1 34 34 LYS HD2 H 1 1.705 . . 1 . . . . . . . . 780 1 231 . 1 1 34 34 LYS HD3 H 1 1.705 . . 1 . . . . . . . . 780 1 232 . 1 1 34 34 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 780 1 233 . 1 1 34 34 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 780 1 234 . 1 1 35 35 ALA H H 1 8.19 . . 1 . . . . . . . . 780 1 235 . 1 1 35 35 ALA HA H 1 4.15 . . 1 . . . . . . . . 780 1 236 . 1 1 35 35 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 780 1 237 . 1 1 35 35 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 780 1 238 . 1 1 35 35 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 780 1 stop_ save_