data_7284 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7284 _Entry.Title ; The design of the beta-harpin and a-helix tethered by a 4Gly linker using conformationally restricted libraries ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-08-31 _Entry.Accession_date 2006-08-31 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Pantoja-Uceda . . . 7284 2 Antonio Pineda-Lucena . . . 7284 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7284 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 183 7284 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 2 . . 2008-07-17 2006-08-31 update BMRB 'complete entry citation' 7284 1 . . 2008-05-22 2006-08-31 original author 'original release' 7284 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2I9O 'BMRB Entry Tracking System' 7284 . 7282 MHA6 7284 . 7283 MHB4A 7284 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7284 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18247449 _Citation.Full_citation . _Citation.Title 'Design of a bivalent peptide with two independent elements of secondary structure able to fold autonomously' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Pept. Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 7 _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 845 _Citation.Page_last 854 _Citation.Year 2008 _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 Pantoja-Uceda . . . 7284 1 2 . Pastor M. T. . 7284 1 3 Jesus Salgado . . . 7284 1 4 Antonio Pineda-Lucena . . . 7284 1 5 Enrique Perez-Paya . . . 7284 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 7284 _Assembly.ID 1 _Assembly.Name MHB8A _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _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 MHB8A 1 $MHB8A . . yes native yes no . . . 7284 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MHB8A _Entity.Sf_category entity _Entity.Sf_framecode MHB8A _Entity.Entry_ID 7284 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MHB8A _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 ; RGKWTYNGITYEGGGGGGGG SAAEAYAKRIAEAMAKG ; _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 37 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2014-05-12 loop_ _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 no PDB 2I9O . "Design Of Bivalent Miniprotein Consisting Of Two Independent Elements, A B-Hairpin Peptide And A-Helix Peptide, Tethered By Eig" . . . . . 100.00 37 100.00 100.00 3.51e-14 . . . . 7284 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 . ARG . 7284 1 2 . GLY . 7284 1 3 . LYS . 7284 1 4 . TRP . 7284 1 5 . THR . 7284 1 6 . TYR . 7284 1 7 . ASN . 7284 1 8 . GLY . 7284 1 9 . ILE . 7284 1 10 . THR . 7284 1 11 . TYR . 7284 1 12 . GLU . 7284 1 13 . GLY . 7284 1 14 . GLY . 7284 1 15 . GLY . 7284 1 16 . GLY . 7284 1 17 . GLY . 7284 1 18 . GLY . 7284 1 19 . GLY . 7284 1 20 . GLY . 7284 1 21 . SER . 7284 1 22 . ALA . 7284 1 23 . ALA . 7284 1 24 . GLU . 7284 1 25 . ALA . 7284 1 26 . TYR . 7284 1 27 . ALA . 7284 1 28 . LYS . 7284 1 29 . ARG . 7284 1 30 . ILE . 7284 1 31 . ALA . 7284 1 32 . GLU . 7284 1 33 . ALA . 7284 1 34 . MET . 7284 1 35 . ALA . 7284 1 36 . LYS . 7284 1 37 . GLY . 7284 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 . ARG 1 1 7284 1 . GLY 2 2 7284 1 . LYS 3 3 7284 1 . TRP 4 4 7284 1 . THR 5 5 7284 1 . TYR 6 6 7284 1 . ASN 7 7 7284 1 . GLY 8 8 7284 1 . ILE 9 9 7284 1 . THR 10 10 7284 1 . TYR 11 11 7284 1 . GLU 12 12 7284 1 . GLY 13 13 7284 1 . GLY 14 14 7284 1 . GLY 15 15 7284 1 . GLY 16 16 7284 1 . GLY 17 17 7284 1 . GLY 18 18 7284 1 . GLY 19 19 7284 1 . GLY 20 20 7284 1 . SER 21 21 7284 1 . ALA 22 22 7284 1 . ALA 23 23 7284 1 . GLU 24 24 7284 1 . ALA 25 25 7284 1 . TYR 26 26 7284 1 . ALA 27 27 7284 1 . LYS 28 28 7284 1 . ARG 29 29 7284 1 . ILE 30 30 7284 1 . ALA 31 31 7284 1 . GLU 32 32 7284 1 . ALA 33 33 7284 1 . MET 34 34 7284 1 . ALA 35 35 7284 1 . LYS 36 36 7284 1 . GLY 37 37 7284 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 7284 _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 $MHB8A . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7284 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 7284 _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 $MHB8A . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7284 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7284 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 MHB8A . . . 1 $MHB8A . protein 1.5 . . mM . . . . 7284 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 7284 _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 5.0 0.1 pH 7284 1 temperature 283.0 0.1 K 7284 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600Mhz _NMR_spectrometer.Entry_ID 7284 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AV _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 7284 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600Mhz . . . . . . . . . . . . . . . . 7284 1 2 '2D TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600Mhz . . . . . . . . . . . . . . . . 7284 1 stop_ save_ save_2D_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_NOESY _NMR_spec_expt.Entry_ID 7284 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_2D_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 2D_TOCSY _NMR_spec_expt.Entry_ID 7284 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600Mhz _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 7284 _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 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 7284 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 7284 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 7284 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 GLY HA3 H 1 3.989 0.01 . 2 . . . . 2 GLY HA3 . 7284 1 2 . 1 1 3 3 LYS H H 1 8.328 0.01 . 1 . . . . 3 LYS H . 7284 1 3 . 1 1 3 3 LYS HA H 1 4.479 0.01 . 1 . . . . 3 LYS HA . 7284 1 4 . 1 1 3 3 LYS HB2 H 1 1.585 0.01 . 2 . . . . 3 LYS HB2 . 7284 1 5 . 1 1 3 3 LYS HB3 H 1 1.492 0.01 . 2 . . . . 3 LYS HB3 . 7284 1 6 . 1 1 3 3 LYS HG2 H 1 1.253 0.01 . 2 . . . . 3 LYS HG2 . 7284 1 7 . 1 1 3 3 LYS HG3 H 1 1.188 0.01 . 2 . . . . 3 LYS HG3 . 7284 1 8 . 1 1 3 3 LYS HE2 H 1 2.808 0.01 . 1 . . . . 3 LYS HE2 . 7284 1 9 . 1 1 3 3 LYS HE3 H 1 2.808 0.01 . 1 . . . . 3 LYS HE3 . 7284 1 10 . 1 1 4 4 TRP H H 1 8.533 0.01 . 1 . . . . 4 TRP H . 7284 1 11 . 1 1 4 4 TRP HA H 1 4.771 0.01 . 1 . . . . 4 TRP HA . 7284 1 12 . 1 1 4 4 TRP HB2 H 1 3.167 0.01 . 1 . . . . 4 TRP HB2 . 7284 1 13 . 1 1 4 4 TRP HB3 H 1 3.167 0.01 . 1 . . . . 4 TRP HB3 . 7284 1 14 . 1 1 4 4 TRP HD1 H 1 7.074 0.01 . 1 . . . . 4 TRP HD1 . 7284 1 15 . 1 1 4 4 TRP HE1 H 1 9.985 0.01 . 1 . . . . 4 TRP HE1 . 7284 1 16 . 1 1 4 4 TRP HE3 H 1 7.442 0.01 . 1 . . . . 4 TRP HE3 . 7284 1 17 . 1 1 4 4 TRP HZ2 H 1 7.188 0.01 . 1 . . . . 4 TRP HZ2 . 7284 1 18 . 1 1 4 4 TRP HZ3 H 1 6.885 0.01 . 1 . . . . 4 TRP HZ3 . 7284 1 19 . 1 1 4 4 TRP HH2 H 1 6.905 0.01 . 1 . . . . 4 TRP HH2 . 7284 1 20 . 1 1 5 5 THR H H 1 8.200 0.01 . 1 . . . . 5 THR H . 7284 1 21 . 1 1 5 5 THR HA H 1 4.732 0.01 . 1 . . . . 5 THR HA . 7284 1 22 . 1 1 5 5 THR HB H 1 3.825 0.01 . 1 . . . . 5 THR HB . 7284 1 23 . 1 1 5 5 THR HG21 H 1 0.943 0.01 . 1 . . . . 5 THR HG2 . 7284 1 24 . 1 1 5 5 THR HG22 H 1 0.943 0.01 . 1 . . . . 5 THR HG2 . 7284 1 25 . 1 1 5 5 THR HG23 H 1 0.943 0.01 . 1 . . . . 5 THR HG2 . 7284 1 26 . 1 1 6 6 TYR H H 1 8.617 0.01 . 1 . . . . 6 TYR H . 7284 1 27 . 1 1 6 6 TYR HA H 1 4.462 0.01 . 1 . . . . 6 TYR HA . 7284 1 28 . 1 1 6 6 TYR HB2 H 1 2.933 0.01 . 2 . . . . 6 TYR HB2 . 7284 1 29 . 1 1 6 6 TYR HB3 H 1 2.812 0.01 . 2 . . . . 6 TYR HB3 . 7284 1 30 . 1 1 6 6 TYR HD1 H 1 7.060 0.01 . 1 . . . . 6 TYR HD1 . 7284 1 31 . 1 1 6 6 TYR HD2 H 1 7.060 0.01 . 1 . . . . 6 TYR HD2 . 7284 1 32 . 1 1 6 6 TYR HE1 H 1 6.727 0.01 . 1 . . . . 6 TYR HE1 . 7284 1 33 . 1 1 6 6 TYR HE2 H 1 6.727 0.01 . 1 . . . . 6 TYR HE2 . 7284 1 34 . 1 1 7 7 ASN H H 1 8.728 0.01 . 1 . . . . 7 ASN H . 7284 1 35 . 1 1 7 7 ASN HA H 1 4.303 0.01 . 1 . . . . 7 ASN HA . 7284 1 36 . 1 1 7 7 ASN HB2 H 1 2.771 0.01 . 2 . . . . 7 ASN HB2 . 7284 1 37 . 1 1 7 7 ASN HB3 H 1 2.351 0.01 . 2 . . . . 7 ASN HB3 . 7284 1 38 . 1 1 7 7 ASN HD21 H 1 7.468 0.01 . 2 . . . . 7 ASN HD21 . 7284 1 39 . 1 1 7 7 ASN HD22 H 1 6.769 0.01 . 2 . . . . 7 ASN HD22 . 7284 1 40 . 1 1 8 8 GLY H H 1 7.903 0.01 . 1 . . . . 8 GLY H . 7284 1 41 . 1 1 8 8 GLY HA2 H 1 3.526 0.01 . 2 . . . . 8 GLY HA2 . 7284 1 42 . 1 1 8 8 GLY HA3 H 1 3.905 0.01 . 2 . . . . 8 GLY HA3 . 7284 1 43 . 1 1 9 9 ILE H H 1 7.820 0.01 . 1 . . . . 9 ILE H . 7284 1 44 . 1 1 9 9 ILE HA H 1 4.085 0.01 . 1 . . . . 9 ILE HA . 7284 1 45 . 1 1 9 9 ILE HB H 1 1.749 0.01 . 1 . . . . 9 ILE HB . 7284 1 46 . 1 1 9 9 ILE HG12 H 1 1.011 0.01 . 2 . . . . 9 ILE HG12 . 7284 1 47 . 1 1 9 9 ILE HG13 H 1 1.342 0.01 . 2 . . . . 9 ILE HG13 . 7284 1 48 . 1 1 9 9 ILE HG21 H 1 0.746 0.01 . 1 . . . . 9 ILE HG2 . 7284 1 49 . 1 1 9 9 ILE HG22 H 1 0.746 0.01 . 1 . . . . 9 ILE HG2 . 7284 1 50 . 1 1 9 9 ILE HG23 H 1 0.746 0.01 . 1 . . . . 9 ILE HG2 . 7284 1 51 . 1 1 9 9 ILE HD11 H 1 0.479 0.01 . 1 . . . . 9 ILE HD1 . 7284 1 52 . 1 1 9 9 ILE HD12 H 1 0.479 0.01 . 1 . . . . 9 ILE HD1 . 7284 1 53 . 1 1 9 9 ILE HD13 H 1 0.479 0.01 . 1 . . . . 9 ILE HD1 . 7284 1 54 . 1 1 10 10 THR H H 1 8.337 0.01 . 1 . . . . 10 THR H . 7284 1 55 . 1 1 10 10 THR HA H 1 4.436 0.01 . 1 . . . . 10 THR HA . 7284 1 56 . 1 1 10 10 THR HB H 1 3.881 0.01 . 1 . . . . 10 THR HB . 7284 1 57 . 1 1 10 10 THR HG21 H 1 1.007 0.01 . 1 . . . . 10 THR HG2 . 7284 1 58 . 1 1 10 10 THR HG22 H 1 1.007 0.01 . 1 . . . . 10 THR HG2 . 7284 1 59 . 1 1 10 10 THR HG23 H 1 1.007 0.01 . 1 . . . . 10 THR HG2 . 7284 1 60 . 1 1 11 11 TYR H H 1 8.731 0.01 . 1 . . . . 11 TYR H . 7284 1 61 . 1 1 11 11 TYR HA H 1 4.428 0.01 . 1 . . . . 11 TYR HA . 7284 1 62 . 1 1 11 11 TYR HB2 H 1 2.686 0.01 . 2 . . . . 11 TYR HB2 . 7284 1 63 . 1 1 11 11 TYR HB3 H 1 2.114 0.01 . 2 . . . . 11 TYR HB3 . 7284 1 64 . 1 1 11 11 TYR HD1 H 1 6.768 0.01 . 1 . . . . 11 TYR HD1 . 7284 1 65 . 1 1 11 11 TYR HD2 H 1 6.768 0.01 . 1 . . . . 11 TYR HD2 . 7284 1 66 . 1 1 11 11 TYR HE1 H 1 6.637 0.01 . 1 . . . . 11 TYR HE1 . 7284 1 67 . 1 1 11 11 TYR HE2 H 1 6.637 0.01 . 1 . . . . 11 TYR HE2 . 7284 1 68 . 1 1 12 12 GLU H H 1 8.491 0.01 . 1 . . . . 12 GLU H . 7284 1 69 . 1 1 12 12 GLU HA H 1 4.304 0.01 . 1 . . . . 12 GLU HA . 7284 1 70 . 1 1 12 12 GLU HB2 H 1 1.959 0.01 . 2 . . . . 12 GLU HB2 . 7284 1 71 . 1 1 12 12 GLU HB3 H 1 1.797 0.01 . 2 . . . . 12 GLU HB3 . 7284 1 72 . 1 1 12 12 GLU HG2 H 1 2.136 0.01 . 1 . . . . 12 GLU HG2 . 7284 1 73 . 1 1 12 12 GLU HG3 H 1 2.136 0.01 . 1 . . . . 12 GLU HG3 . 7284 1 74 . 1 1 13 13 GLY H H 1 8.245 0.01 . 1 . . . . 13 GLY H . 7284 1 75 . 1 1 13 13 GLY HA2 H 1 3.899 0.01 . 1 . . . . 13 GLY HA2 . 7284 1 76 . 1 1 13 13 GLY HA3 H 1 3.899 0.01 . 1 . . . . 13 GLY HA3 . 7284 1 77 . 1 1 21 21 SER H H 1 8.453 0.01 . 1 . . . . 21 SER H . 7284 1 78 . 1 1 21 21 SER HA H 1 4.357 0.01 . 1 . . . . 21 SER HA . 7284 1 79 . 1 1 21 21 SER HB2 H 1 3.991 0.01 . 2 . . . . 21 SER HB2 . 7284 1 80 . 1 1 21 21 SER HB3 H 1 3.867 0.01 . 2 . . . . 21 SER HB3 . 7284 1 81 . 1 1 22 22 ALA H H 1 8.729 0.01 . 1 . . . . 22 ALA H . 7284 1 82 . 1 1 22 22 ALA HA H 1 4.182 0.01 . 1 . . . . 22 ALA HA . 7284 1 83 . 1 1 22 22 ALA HB1 H 1 1.377 0.01 . 1 . . . . 22 ALA HB . 7284 1 84 . 1 1 22 22 ALA HB2 H 1 1.377 0.01 . 1 . . . . 22 ALA HB . 7284 1 85 . 1 1 22 22 ALA HB3 H 1 1.377 0.01 . 1 . . . . 22 ALA HB . 7284 1 86 . 1 1 23 23 ALA H H 1 8.303 0.01 . 1 . . . . 23 ALA H . 7284 1 87 . 1 1 23 23 ALA HA H 1 4.175 0.01 . 1 . . . . 23 ALA HA . 7284 1 88 . 1 1 23 23 ALA HB1 H 1 1.377 0.01 . 1 . . . . 23 ALA HB . 7284 1 89 . 1 1 23 23 ALA HB2 H 1 1.377 0.01 . 1 . . . . 23 ALA HB . 7284 1 90 . 1 1 23 23 ALA HB3 H 1 1.377 0.01 . 1 . . . . 23 ALA HB . 7284 1 91 . 1 1 24 24 GLU H H 1 8.113 0.01 . 1 . . . . 24 GLU H . 7284 1 92 . 1 1 24 24 GLU HA H 1 4.055 0.01 . 1 . . . . 24 GLU HA . 7284 1 93 . 1 1 24 24 GLU HB2 H 1 2.014 0.01 . 1 . . . . 24 GLU HB2 . 7284 1 94 . 1 1 24 24 GLU HB3 H 1 2.014 0.01 . 1 . . . . 24 GLU HB3 . 7284 1 95 . 1 1 24 24 GLU HG2 H 1 2.278 0.01 . 2 . . . . 24 GLU HG2 . 7284 1 96 . 1 1 24 24 GLU HG3 H 1 2.194 0.01 . 2 . . . . 24 GLU HG3 . 7284 1 97 . 1 1 25 25 ALA H H 1 8.115 0.01 . 1 . . . . 25 ALA H . 7284 1 98 . 1 1 25 25 ALA HA H 1 4.085 0.01 . 1 . . . . 25 ALA HA . 7284 1 99 . 1 1 25 25 ALA HB1 H 1 1.411 0.01 . 1 . . . . 25 ALA HB . 7284 1 100 . 1 1 25 25 ALA HB2 H 1 1.411 0.01 . 1 . . . . 25 ALA HB . 7284 1 101 . 1 1 25 25 ALA HB3 H 1 1.411 0.01 . 1 . . . . 25 ALA HB . 7284 1 102 . 1 1 26 26 TYR H H 1 8.161 0.01 . 1 . . . . 26 TYR H . 7284 1 103 . 1 1 26 26 TYR HA H 1 4.163 0.01 . 1 . . . . 26 TYR HA . 7284 1 104 . 1 1 26 26 TYR HB2 H 1 3.064 0.01 . 1 . . . . 26 TYR HB2 . 7284 1 105 . 1 1 26 26 TYR HB3 H 1 3.064 0.01 . 1 . . . . 26 TYR HB3 . 7284 1 106 . 1 1 26 26 TYR HD1 H 1 7.068 0.01 . 1 . . . . 26 TYR HD1 . 7284 1 107 . 1 1 26 26 TYR HD2 H 1 7.068 0.01 . 1 . . . . 26 TYR HD2 . 7284 1 108 . 1 1 26 26 TYR HE1 H 1 6.722 0.01 . 1 . . . . 26 TYR HE1 . 7284 1 109 . 1 1 26 26 TYR HE2 H 1 6.722 0.01 . 1 . . . . 26 TYR HE2 . 7284 1 110 . 1 1 27 27 ALA H H 1 7.986 0.01 . 1 . . . . 27 ALA H . 7284 1 111 . 1 1 27 27 ALA HA H 1 3.934 0.01 . 1 . . . . 27 ALA HA . 7284 1 112 . 1 1 27 27 ALA HB1 H 1 1.435 0.01 . 1 . . . . 27 ALA HB . 7284 1 113 . 1 1 27 27 ALA HB2 H 1 1.435 0.01 . 1 . . . . 27 ALA HB . 7284 1 114 . 1 1 27 27 ALA HB3 H 1 1.435 0.01 . 1 . . . . 27 ALA HB . 7284 1 115 . 1 1 28 28 LYS H H 1 7.955 0.01 . 1 . . . . 28 LYS H . 7284 1 116 . 1 1 28 28 LYS HA H 1 4.057 0.01 . 1 . . . . 28 LYS HA . 7284 1 117 . 1 1 28 28 LYS HB3 H 1 1.595 0.01 . 2 . . . . 28 LYS HB3 . 7284 1 118 . 1 1 28 28 LYS HG2 H 1 1.316 0.01 . 1 . . . . 28 LYS HG2 . 7284 1 119 . 1 1 28 28 LYS HG3 H 1 1.316 0.01 . 1 . . . . 28 LYS HG3 . 7284 1 120 . 1 1 28 28 LYS HD2 H 1 1.469 0.01 . 1 . . . . 28 LYS HD2 . 7284 1 121 . 1 1 28 28 LYS HD3 H 1 1.469 0.01 . 1 . . . . 28 LYS HD3 . 7284 1 122 . 1 1 28 28 LYS HE2 H 1 2.891 0.01 . 1 . . . . 28 LYS HE2 . 7284 1 123 . 1 1 28 28 LYS HE3 H 1 2.891 0.01 . 1 . . . . 28 LYS HE3 . 7284 1 124 . 1 1 29 29 ARG H H 1 7.812 0.01 . 1 . . . . 29 ARG H . 7284 1 125 . 1 1 29 29 ARG HA H 1 4.058 0.01 . 1 . . . . 29 ARG HA . 7284 1 126 . 1 1 29 29 ARG HB2 H 1 1.839 0.01 . 2 . . . . 29 ARG HB2 . 7284 1 127 . 1 1 29 29 ARG HB3 H 1 1.804 0.01 . 2 . . . . 29 ARG HB3 . 7284 1 128 . 1 1 29 29 ARG HG2 H 1 1.666 0.01 . 2 . . . . 29 ARG HG2 . 7284 1 129 . 1 1 29 29 ARG HG3 H 1 1.530 0.01 . 2 . . . . 29 ARG HG3 . 7284 1 130 . 1 1 29 29 ARG HD2 H 1 3.120 0.01 . 1 . . . . 29 ARG HD2 . 7284 1 131 . 1 1 29 29 ARG HD3 H 1 3.120 0.01 . 1 . . . . 29 ARG HD3 . 7284 1 132 . 1 1 29 29 ARG HE H 1 7.289 0.01 . 1 . . . . 29 ARG HE . 7284 1 133 . 1 1 30 30 ILE H H 1 7.948 0.01 . 1 . . . . 30 ILE H . 7284 1 134 . 1 1 30 30 ILE HA H 1 3.754 0.01 . 1 . . . . 30 ILE HA . 7284 1 135 . 1 1 30 30 ILE HB H 1 1.768 0.01 . 1 . . . . 30 ILE HB . 7284 1 136 . 1 1 30 30 ILE HG12 H 1 0.988 0.01 . 2 . . . . 30 ILE HG12 . 7284 1 137 . 1 1 30 30 ILE HG13 H 1 1.148 0.01 . 2 . . . . 30 ILE HG13 . 7284 1 138 . 1 1 30 30 ILE HG21 H 1 0.752 0.01 . 1 . . . . 30 ILE HG2 . 7284 1 139 . 1 1 30 30 ILE HG22 H 1 0.752 0.01 . 1 . . . . 30 ILE HG2 . 7284 1 140 . 1 1 30 30 ILE HG23 H 1 0.752 0.01 . 1 . . . . 30 ILE HG2 . 7284 1 141 . 1 1 30 30 ILE HD11 H 1 0.568 0.01 . 1 . . . . 30 ILE HD1 . 7284 1 142 . 1 1 30 30 ILE HD12 H 1 0.568 0.01 . 1 . . . . 30 ILE HD1 . 7284 1 143 . 1 1 30 30 ILE HD13 H 1 0.568 0.01 . 1 . . . . 30 ILE HD1 . 7284 1 144 . 1 1 31 31 ALA H H 1 7.930 0.01 . 1 . . . . 31 ALA H . 7284 1 145 . 1 1 31 31 ALA HA H 1 4.075 0.01 . 1 . . . . 31 ALA HA . 7284 1 146 . 1 1 31 31 ALA HB1 H 1 1.401 0.01 . 1 . . . . 31 ALA HB . 7284 1 147 . 1 1 31 31 ALA HB2 H 1 1.401 0.01 . 1 . . . . 31 ALA HB . 7284 1 148 . 1 1 31 31 ALA HB3 H 1 1.401 0.01 . 1 . . . . 31 ALA HB . 7284 1 149 . 1 1 32 32 GLU H H 1 8.266 0.01 . 1 . . . . 32 GLU H . 7284 1 150 . 1 1 32 32 GLU HA H 1 3.996 0.01 . 1 . . . . 32 GLU HA . 7284 1 151 . 1 1 32 32 GLU HB2 H 1 2.022 0.01 . 2 . . . . 32 GLU HB2 . 7284 1 152 . 1 1 32 32 GLU HB3 H 1 1.955 0.01 . 2 . . . . 32 GLU HB3 . 7284 1 153 . 1 1 32 32 GLU HG2 H 1 2.395 0.01 . 2 . . . . 32 GLU HG2 . 7284 1 154 . 1 1 32 32 GLU HG3 H 1 2.180 0.01 . 2 . . . . 32 GLU HG3 . 7284 1 155 . 1 1 33 33 ALA H H 1 7.828 0.01 . 1 . . . . 33 ALA H . 7284 1 156 . 1 1 33 33 ALA HA H 1 4.138 0.01 . 1 . . . . 33 ALA HA . 7284 1 157 . 1 1 33 33 ALA HB1 H 1 1.398 0.01 . 1 . . . . 33 ALA HB . 7284 1 158 . 1 1 33 33 ALA HB2 H 1 1.398 0.01 . 1 . . . . 33 ALA HB . 7284 1 159 . 1 1 33 33 ALA HB3 H 1 1.398 0.01 . 1 . . . . 33 ALA HB . 7284 1 160 . 1 1 34 34 MET H H 1 8.017 0.01 . 1 . . . . 34 MET H . 7284 1 161 . 1 1 34 34 MET HA H 1 4.238 0.01 . 1 . . . . 34 MET HA . 7284 1 162 . 1 1 34 34 MET HB2 H 1 2.045 0.01 . 1 . . . . 34 MET HB2 . 7284 1 163 . 1 1 34 34 MET HB3 H 1 2.045 0.01 . 1 . . . . 34 MET HB3 . 7284 1 164 . 1 1 34 34 MET HG2 H 1 2.626 0.01 . 2 . . . . 34 MET HG2 . 7284 1 165 . 1 1 34 34 MET HG3 H 1 2.531 0.01 . 2 . . . . 34 MET HG3 . 7284 1 166 . 1 1 35 35 ALA H H 1 7.871 0.01 . 1 . . . . 35 ALA H . 7284 1 167 . 1 1 35 35 ALA HA H 1 4.174 0.01 . 1 . . . . 35 ALA HA . 7284 1 168 . 1 1 35 35 ALA HB1 H 1 1.384 0.01 . 1 . . . . 35 ALA HB . 7284 1 169 . 1 1 35 35 ALA HB2 H 1 1.384 0.01 . 1 . . . . 35 ALA HB . 7284 1 170 . 1 1 35 35 ALA HB3 H 1 1.384 0.01 . 1 . . . . 35 ALA HB . 7284 1 171 . 1 1 36 36 LYS H H 1 7.990 0.01 . 1 . . . . 36 LYS H . 7284 1 172 . 1 1 36 36 LYS HA H 1 4.179 0.01 . 1 . . . . 36 LYS HA . 7284 1 173 . 1 1 36 36 LYS HB2 H 1 1.838 0.01 . 2 . . . . 36 LYS HB2 . 7284 1 174 . 1 1 36 36 LYS HB3 H 1 1.764 0.01 . 2 . . . . 36 LYS HB3 . 7284 1 175 . 1 1 36 36 LYS HG2 H 1 1.470 0.01 . 2 . . . . 36 LYS HG2 . 7284 1 176 . 1 1 36 36 LYS HG3 H 1 1.396 0.01 . 2 . . . . 36 LYS HG3 . 7284 1 177 . 1 1 36 36 LYS HD2 H 1 1.611 0.01 . 1 . . . . 36 LYS HD2 . 7284 1 178 . 1 1 36 36 LYS HD3 H 1 1.611 0.01 . 1 . . . . 36 LYS HD3 . 7284 1 179 . 1 1 36 36 LYS HE2 H 1 2.909 0.01 . 1 . . . . 36 LYS HE2 . 7284 1 180 . 1 1 36 36 LYS HE3 H 1 2.909 0.01 . 1 . . . . 36 LYS HE3 . 7284 1 181 . 1 1 37 37 GLY H H 1 8.184 0.01 . 1 . . . . 37 GLY H . 7284 1 182 . 1 1 37 37 GLY HA2 H 1 3.849 0.01 . 1 . . . . 37 GLY HA2 . 7284 1 183 . 1 1 37 37 GLY HA3 H 1 3.849 0.01 . 1 . . . . 37 GLY HA3 . 7284 1 stop_ save_