data_6619 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6619 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 'peptide P7 encompassing F1-S27 region of the N-terminal of trialysin' 'Structure analysis' ; The data from the entries were used to explain differences in activities of peptides from the same protein domain in a structural basis. ; 6619 1 stop_ loop_ _Study_keyword.Study_ID _Study_keyword.Keyword _Study_keyword.Entry_ID _Study_keyword.Study_list_ID . 'lytic peptides' 6619 1 . 'NMR study' 6619 1 stop_ loop_ _Study_entry_list.Study_ID _Study_entry_list.BMRB_accession_code _Study_entry_list.BMRB_entry_description _Study_entry_list.Details _Study_entry_list.Entry_ID _Study_entry_list.Study_list_ID . 012705 assigned_chemical_shifts 'structural study of peptide derived from salivary lytic protein' 6619 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6619 _Entry.Title ; 1H chemical shift assignments for peptide P7 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-05-03 _Entry.Accession_date 2005-05-03 _Entry.Last_release_date 2006-08-07 _Entry.Original_release_date 2006-08-07 _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 'structure was calculated from NMR data' _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 Rafael Martins . M. . 6619 2 Mauricio Sforca . L. . 6619 3 Rogerio Amino . . . 6619 4 Maria Juliano . A. . 6619 5 Luiz Juliano . . . 6619 6 Thelma Pertinhez . A. . 6619 7 Alberto Spisni . . . 6619 8 Sergio Schenkman . . . 6619 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . LNLS . 6619 . . Unifesp . 6619 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6619 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 153 6619 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2006-08-07 2005-05-03 original author . 6619 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID . 6616 'chemical shifts from P5, peptide based on trialysin' 6619 . 6618 'chemical shifts from P6, peptide based on trialysin' 6619 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 6619 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16460023 _Citation.Full_citation . _Citation.Title ; Lytic Activity and Structural Differences of Amphipathic Peptides Derived from Trialysin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 6 _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 1765 _Citation.Page_last 1774 _Citation.Year 2006 _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 Rafael Martins . M. . 6619 1 2 Mauricio Sforca . L. . 6619 1 3 Rogerio Amino . . . 6619 1 4 Maria Juliano . A. . 6619 1 5 Sergio Oyama . . Jr. 6619 1 6 Luiz Juliano . . . 6619 1 7 Thelma Pertinhez . A. . 6619 1 8 Alberto Spisni . . . 6619 1 9 Sergio Schenkman . . . 6619 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'lytic peptide' 6619 1 NMR 6619 1 'trialysin N-terminus' 6619 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6619 _Assembly.ID 1 _Assembly.Name 'peptide P7' _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 3041.8 _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 P7 1 $trialysin_N-terminal_peptide_(F1-S27) . . yes native no no . . . 6619 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'lytic peptide' 6619 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_trialysin_N-terminal_peptide_(F1-S27) _Entity.Sf_category entity _Entity.Sf_framecode trialysin_N-terminal_peptide_(F1-S27) _Entity.Entry_ID 6619 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name P7 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'synthetic peptide, C-amidated' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; FKIKPGKVLDKFGKIVGKVL KQLKKVS ; _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 27 _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 3041.8 _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 BMRB 6616 . trialysin_N-terminal_peptide_(G6-V32) . . . . . 81.48 27 100.00 100.00 2.59e-03 . . . . 6619 1 no BMRB 6618 . trialysin_N-terminal_peptide_(F1-V32) . . . . . 100.00 32 100.00 100.00 8.01e-07 . . . . 6619 1 no GB AAL82380 . "trialysin [Triatoma infestans]" . . . . . 100.00 205 100.00 100.00 1.15e-06 . . . . 6619 1 no GB ABR27919 . "trialysin precursor allele [Triatoma infestans]" . . . . . 100.00 260 100.00 100.00 2.02e-06 . . . . 6619 1 no GB ABR27943 . "trialysin allele [Triatoma infestans]" . . . . . 100.00 260 100.00 100.00 2.00e-06 . . . . 6619 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID antimicrobial 6619 1 anti-protozoan 6619 1 'cytolytic peptide' 6619 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID P7 . 6619 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'lytic peptide' 6619 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 . PHE . 6619 1 2 . LYS . 6619 1 3 . ILE . 6619 1 4 . LYS . 6619 1 5 . PRO . 6619 1 6 . GLY . 6619 1 7 . LYS . 6619 1 8 . VAL . 6619 1 9 . LEU . 6619 1 10 . ASP . 6619 1 11 . LYS . 6619 1 12 . PHE . 6619 1 13 . GLY . 6619 1 14 . LYS . 6619 1 15 . ILE . 6619 1 16 . VAL . 6619 1 17 . GLY . 6619 1 18 . LYS . 6619 1 19 . VAL . 6619 1 20 . LEU . 6619 1 21 . LYS . 6619 1 22 . GLN . 6619 1 23 . LEU . 6619 1 24 . LYS . 6619 1 25 . LYS . 6619 1 26 . VAL . 6619 1 27 . SER . 6619 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 . PHE 1 1 6619 1 . LYS 2 2 6619 1 . ILE 3 3 6619 1 . LYS 4 4 6619 1 . PRO 5 5 6619 1 . GLY 6 6 6619 1 . LYS 7 7 6619 1 . VAL 8 8 6619 1 . LEU 9 9 6619 1 . ASP 10 10 6619 1 . LYS 11 11 6619 1 . PHE 12 12 6619 1 . GLY 13 13 6619 1 . LYS 14 14 6619 1 . ILE 15 15 6619 1 . VAL 16 16 6619 1 . GLY 17 17 6619 1 . LYS 18 18 6619 1 . VAL 19 19 6619 1 . LEU 20 20 6619 1 . LYS 21 21 6619 1 . GLN 22 22 6619 1 . LEU 23 23 6619 1 . LYS 24 24 6619 1 . LYS 25 25 6619 1 . VAL 26 26 6619 1 . SER 27 27 6619 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 6619 _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 $trialysin_N-terminal_peptide_(F1-S27) . 30076 organism . 'Triatoma infestans' 'Triatoma infestans' . . Eukaryota Metazoa Triatoma infestans . . . 'salivary glands' . . . . . . . . . salivary . . trialysin . 'synthetic peptide based on the N-terminus of a salivary lytic protein from Triatoma infestans' . . 6619 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 6619 _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 $trialysin_N-terminal_peptide_(F1-S27) . 'chemical synthesis' . 'Triatoma infestans' 'hematophagous insect' . Triatoma infestans . . . 'salivary secretion' . . . . . . . . . . . . . . . . . . . 6619 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6619 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2 mM P7 in TFE: H2O (30:70) (v/v) containing 5% D2O' _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 P7 . . . 1 $trialysin_N-terminal_peptide_(F1-S27) . . 1.2 . . mM . . . . 6619 1 2 TFE . . . . . . . 30 . . '% (vol)' . . . . 6619 1 3 D2O . . . . . . . 5 . . '% (vol)' . . . . 6619 1 4 H2O . . . . . . . 65 . . '% (vol)' . . . . 6619 1 stop_ save_ ####################### # Sample conditions # ####################### save_P7_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode P7_conditions _Sample_condition_list.Entry_ID 6619 _Sample_condition_list.ID 1 _Sample_condition_list.Details '37o C' 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 4 0.2 pH 6619 1 temperature 310 0.2 K 6619 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView5 _Software.Sf_category software _Software.Sf_framecode NMRView5 _Software.Entry_ID 6619 _Software.ID 1 _Software.Name NMRView5 _Software.Version 5 _Software.Details ; Johnson, B. A., and Blevins, R.A. (1994), Journal of Biomolecular NMR, 4:603-614. ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'One Moon Scientific Inc.' . www.onemoonscientific.com 6619 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 6619 1 'spectrum analysis' 6619 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6619 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 6619 _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 '1H TOCSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $P7_conditions . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6619 1 2 '1H COSY' no . . . . . . . . . . 1 $sample_1 . . . 1 $P7_conditions . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6619 1 3 '1H NOESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $P7_conditions . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6619 1 4 '1H ROESY' no . . . . . . . . . . 1 $sample_1 . . . 1 $P7_conditions . . . 1 $500MHz_spectrometer . . . . . . . . . . . . . . . . 6619 1 stop_ save_ save_1H_TOCSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_TOCSY _NMR_spec_expt.Entry_ID 6619 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H_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 $500MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRView5 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H_COSY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_COSY _NMR_spec_expt.Entry_ID 6619 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 1H_COSY _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 $500MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRView5 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H_NOESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_NOESY _NMR_spec_expt.Entry_ID 6619 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 1H_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 $500MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRView5 _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_1H_ROESY _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H_ROESY _NMR_spec_expt.Entry_ID 6619 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 1H_ROESY _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 $500MHz_spectrometer _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 1 _NMR_spec_expt.Software_label $NMRView5 _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 6619 _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 . . . 1 $citations . . 1 $citations 6619 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 6619 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $P7_conditions _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 '1H TOCSY' 1 $sample_1 isotropic 6619 1 2 '1H COSY' 1 $sample_1 isotropic 6619 1 3 '1H NOESY' 1 $sample_1 isotropic 6619 1 4 '1H ROESY' 1 $sample_1 isotropic 6619 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 $NMRView5 . . 6619 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 PHE HA H 1 4.328 0.02 . 1 . . . . 1 PHE HA . 6619 1 2 . 1 1 1 1 PHE HB2 H 1 3.202 0.02 . 2 . . . . 1 PHE HB1 . 6619 1 3 . 1 1 1 1 PHE HB3 H 1 3.283 0.02 . 2 . . . . 1 PHE HB2 . 6619 1 4 . 1 1 2 2 LYS H H 1 8.365 0.02 . 1 . . . . 2 LYS HN . 6619 1 5 . 1 1 2 2 LYS HA H 1 4.449 0.02 . 1 . . . . 2 LYS HA . 6619 1 6 . 1 1 2 2 LYS HB2 H 1 1.739 0.02 . 2 . . . . 2 LYS HB1 . 6619 1 7 . 1 1 2 2 LYS HB3 H 1 1.822 0.02 . 2 . . . . 2 LYS HB2 . 6619 1 8 . 1 1 2 2 LYS HG2 H 1 1.444 0.02 . 2 . . . . 2 LYS HG2 . 6619 1 9 . 1 1 3 3 ILE H H 1 7.862 0.02 . 1 . . . . 3 ILE HN . 6619 1 10 . 1 1 3 3 ILE HA H 1 4.195 0.02 . 1 . . . . 3 ILE HA . 6619 1 11 . 1 1 3 3 ILE HB H 1 1.821 0.02 . 1 . . . . 3 ILE HB . 6619 1 12 . 1 1 3 3 ILE HG12 H 1 1.520 0.02 . 1 . . . . 3 ILE HG11 . 6619 1 13 . 1 1 3 3 ILE HG13 H 1 1.211 0.02 . 1 . . . . 3 ILE HG12 . 6619 1 14 . 1 1 3 3 ILE HG21 H 1 0.920 0.02 . 1 . . . . 3 ILE HG2 . 6619 1 15 . 1 1 3 3 ILE HG22 H 1 0.920 0.02 . 1 . . . . 3 ILE HG2 . 6619 1 16 . 1 1 3 3 ILE HG23 H 1 0.920 0.02 . 1 . . . . 3 ILE HG2 . 6619 1 17 . 1 1 4 4 LYS H H 1 7.964 0.02 . 1 . . . . 4 LYS HN . 6619 1 18 . 1 1 4 4 LYS HA H 1 4.707 0.02 . 1 . . . . 4 LYS HA . 6619 1 19 . 1 1 4 4 LYS HB2 H 1 1.781 0.02 . 2 . . . . 4 LYS HB1 . 6619 1 20 . 1 1 4 4 LYS HB3 H 1 1.891 0.02 . 2 . . . . 4 LYS HB2 . 6619 1 21 . 1 1 4 4 LYS HG2 H 1 1.518 0.02 . 2 . . . . 4 LYS HG2 . 6619 1 22 . 1 1 5 5 PRO HA H 1 4.378 0.02 . 1 . . . . 5 PRO HA . 6619 1 23 . 1 1 5 5 PRO HB2 H 1 2.107 0.02 . 2 . . . . 5 PRO HB1 . 6619 1 24 . 1 1 5 5 PRO HB3 H 1 2.295 0.02 . 2 . . . . 5 PRO HB2 . 6619 1 25 . 1 1 5 5 PRO HG2 H 1 2.004 0.02 . 2 . . . . 5 PRO HG2 . 6619 1 26 . 1 1 5 5 PRO HD2 H 1 3.718 0.02 . 2 . . . . 5 PRO HD1 . 6619 1 27 . 1 1 5 5 PRO HD3 H 1 3.867 0.02 . 2 . . . . 5 PRO HD2 . 6619 1 28 . 1 1 6 6 GLY H H 1 8.226 0.02 . 1 . . . . 6 GLY HN . 6619 1 29 . 1 1 6 6 GLY HA2 H 1 3.978 0.02 . 2 . . . . 6 GLY HA2 . 6619 1 30 . 1 1 7 7 LYS H H 1 8.047 0.02 . 1 . . . . 7 LYS HN . 6619 1 31 . 1 1 7 7 LYS HA H 1 4.329 0.02 . 1 . . . . 7 LYS HA . 6619 1 32 . 1 1 7 7 LYS HB2 H 1 1.938 0.02 . 2 . . . . 7 LYS HB2 . 6619 1 33 . 1 1 7 7 LYS HG2 H 1 1.515 0.02 . 2 . . . . 7 LYS HG2 . 6619 1 34 . 1 1 8 8 VAL H H 1 7.755 0.02 . 1 . . . . 8 VAL HN . 6619 1 35 . 1 1 8 8 VAL HA H 1 3.953 0.02 . 1 . . . . 8 VAL HA . 6619 1 36 . 1 1 8 8 VAL HB H 1 2.191 0.02 . 1 . . . . 8 VAL HB . 6619 1 37 . 1 1 8 8 VAL HG11 H 1 0.986 0.02 . 2 . . . . 8 VAL HG1 . 6619 1 38 . 1 1 8 8 VAL HG12 H 1 0.986 0.02 . 2 . . . . 8 VAL HG1 . 6619 1 39 . 1 1 8 8 VAL HG13 H 1 0.986 0.02 . 2 . . . . 8 VAL HG1 . 6619 1 40 . 1 1 8 8 VAL HG21 H 1 1.024 0.02 . 2 . . . . 8 VAL HG2 . 6619 1 41 . 1 1 8 8 VAL HG22 H 1 1.024 0.02 . 2 . . . . 8 VAL HG2 . 6619 1 42 . 1 1 8 8 VAL HG23 H 1 1.024 0.02 . 2 . . . . 8 VAL HG2 . 6619 1 43 . 1 1 9 9 LEU H H 1 7.936 0.02 . 1 . . . . 9 LEU HN . 6619 1 44 . 1 1 9 9 LEU HA H 1 4.258 0.02 . 1 . . . . 9 LEU HA . 6619 1 45 . 1 1 9 9 LEU HB2 H 1 1.750 0.02 . 2 . . . . 9 LEU HB2 . 6619 1 46 . 1 1 9 9 LEU HD11 H 1 0.898 0.02 . 2 . . . . 9 LEU HD1 . 6619 1 47 . 1 1 9 9 LEU HD12 H 1 0.898 0.02 . 2 . . . . 9 LEU HD1 . 6619 1 48 . 1 1 9 9 LEU HD13 H 1 0.898 0.02 . 2 . . . . 9 LEU HD1 . 6619 1 49 . 1 1 10 10 ASP H H 1 8.067 0.02 . 1 . . . . 10 ASP HN . 6619 1 50 . 1 1 10 10 ASP HA H 1 4.521 0.02 . 1 . . . . 10 ASP HA . 6619 1 51 . 1 1 10 10 ASP HB2 H 1 2.828 0.02 . 2 . . . . 10 ASP HB1 . 6619 1 52 . 1 1 10 10 ASP HB3 H 1 2.898 0.02 . 2 . . . . 10 ASP HB2 . 6619 1 53 . 1 1 11 11 LYS H H 1 7.818 0.02 . 1 . . . . 11 LYS HN . 6619 1 54 . 1 1 11 11 LYS HA H 1 4.144 0.02 . 1 . . . . 11 LYS HA . 6619 1 55 . 1 1 11 11 LYS HB2 H 1 1.678 0.02 . 2 . . . . 11 LYS HB1 . 6619 1 56 . 1 1 11 11 LYS HB3 H 1 1.866 0.02 . 2 . . . . 11 LYS HB2 . 6619 1 57 . 1 1 11 11 LYS HG2 H 1 1.368 0.02 . 2 . . . . 11 LYS HG1 . 6619 1 58 . 1 1 11 11 LYS HG3 H 1 1.409 0.02 . 2 . . . . 11 LYS HG2 . 6619 1 59 . 1 1 12 12 PHE H H 1 8.447 0.02 . 1 . . . . 12 PHE HN . 6619 1 60 . 1 1 12 12 PHE HA H 1 4.011 0.02 . 1 . . . . 12 PHE HA . 6619 1 61 . 1 1 12 12 PHE HB2 H 1 3.159 0.02 . 2 . . . . 12 PHE HB1 . 6619 1 62 . 1 1 12 12 PHE HB3 H 1 3.228 0.02 . 2 . . . . 12 PHE HB2 . 6619 1 63 . 1 1 12 12 PHE HD1 H 1 7.238 0.02 . 3 . . . . 12 PHE HD1 . 6619 1 64 . 1 1 13 13 GLY H H 1 8.449 0.02 . 1 . . . . 13 GLY HN . 6619 1 65 . 1 1 13 13 GLY HA2 H 1 3.790 0.02 . 2 . . . . 13 GLY HA1 . 6619 1 66 . 1 1 13 13 GLY HA3 H 1 4.008 0.02 . 2 . . . . 13 GLY HA2 . 6619 1 67 . 1 1 14 14 LYS H H 1 7.841 0.02 . 1 . . . . 14 LYS HN . 6619 1 68 . 1 1 14 14 LYS HA H 1 4.212 0.02 . 1 . . . . 14 LYS HA . 6619 1 69 . 1 1 14 14 LYS HB2 H 1 1.941 0.02 . 2 . . . . 14 LYS HB1 . 6619 1 70 . 1 1 14 14 LYS HB3 H 1 2.017 0.02 . 2 . . . . 14 LYS HB2 . 6619 1 71 . 1 1 14 14 LYS HG2 H 1 1.652 0.02 . 2 . . . . 14 LYS HG2 . 6619 1 72 . 1 1 14 14 LYS HD2 H 1 1.741 0.02 . 2 . . . . 14 LYS HD2 . 6619 1 73 . 1 1 15 15 ILE H H 1 7.721 0.02 . 1 . . . . 15 ILE HN . 6619 1 74 . 1 1 15 15 ILE HA H 1 3.930 0.02 . 1 . . . . 15 ILE HA . 6619 1 75 . 1 1 15 15 ILE HB H 1 2.029 0.02 . 1 . . . . 15 ILE HB . 6619 1 76 . 1 1 15 15 ILE HG12 H 1 1.703 0.02 . 1 . . . . 15 ILE HG11 . 6619 1 77 . 1 1 15 15 ILE HG13 H 1 1.232 0.02 . 1 . . . . 15 ILE HG12 . 6619 1 78 . 1 1 15 15 ILE HG21 H 1 0.938 0.02 . 1 . . . . 15 ILE HG2 . 6619 1 79 . 1 1 15 15 ILE HG22 H 1 0.938 0.02 . 1 . . . . 15 ILE HG2 . 6619 1 80 . 1 1 15 15 ILE HG23 H 1 0.938 0.02 . 1 . . . . 15 ILE HG2 . 6619 1 81 . 1 1 16 16 VAL H H 1 8.068 0.02 . 1 . . . . 16 VAL HN . 6619 1 82 . 1 1 16 16 VAL HA H 1 3.602 0.02 . 1 . . . . 16 VAL HA . 6619 1 83 . 1 1 16 16 VAL HB H 1 1.926 0.02 . 1 . . . . 16 VAL HB . 6619 1 84 . 1 1 16 16 VAL HG11 H 1 0.844 0.02 . 2 . . . . 16 VAL HG1 . 6619 1 85 . 1 1 16 16 VAL HG12 H 1 0.844 0.02 . 2 . . . . 16 VAL HG1 . 6619 1 86 . 1 1 16 16 VAL HG13 H 1 0.844 0.02 . 2 . . . . 16 VAL HG1 . 6619 1 87 . 1 1 16 16 VAL HG21 H 1 0.882 0.02 . 2 . . . . 16 VAL HG2 . 6619 1 88 . 1 1 16 16 VAL HG22 H 1 0.882 0.02 . 2 . . . . 16 VAL HG2 . 6619 1 89 . 1 1 16 16 VAL HG23 H 1 0.882 0.02 . 2 . . . . 16 VAL HG2 . 6619 1 90 . 1 1 17 17 GLY H H 1 8.038 0.02 . 1 . . . . 17 GLY HN . 6619 1 91 . 1 1 17 17 GLY HA2 H 1 3.789 0.02 . 2 . . . . 17 GLY HA1 . 6619 1 92 . 1 1 17 17 GLY HA3 H 1 3.875 0.02 . 2 . . . . 17 GLY HA2 . 6619 1 93 . 1 1 18 18 LYS H H 1 7.546 0.02 . 1 . . . . 18 LYS HN . 6619 1 94 . 1 1 18 18 LYS HA H 1 4.142 0.02 . 1 . . . . 18 LYS HA . 6619 1 95 . 1 1 18 18 LYS HB2 H 1 1.748 0.02 . 2 . . . . 18 LYS HB1 . 6619 1 96 . 1 1 18 18 LYS HB3 H 1 2.048 0.02 . 2 . . . . 18 LYS HB2 . 6619 1 97 . 1 1 18 18 LYS HG2 H 1 1.503 0.02 . 2 . . . . 18 LYS HG1 . 6619 1 98 . 1 1 18 18 LYS HG3 H 1 1.627 0.02 . 2 . . . . 18 LYS HG2 . 6619 1 99 . 1 1 19 19 VAL H H 1 7.991 0.02 . 1 . . . . 19 VAL HN . 6619 1 100 . 1 1 19 19 VAL HA H 1 3.698 0.02 . 1 . . . . 19 VAL HA . 6619 1 101 . 1 1 19 19 VAL HB H 1 2.266 0.02 . 1 . . . . 19 VAL HB . 6619 1 102 . 1 1 19 19 VAL HG11 H 1 0.952 0.02 . 2 . . . . 19 VAL HG1 . 6619 1 103 . 1 1 19 19 VAL HG12 H 1 0.952 0.02 . 2 . . . . 19 VAL HG1 . 6619 1 104 . 1 1 19 19 VAL HG13 H 1 0.952 0.02 . 2 . . . . 19 VAL HG1 . 6619 1 105 . 1 1 19 19 VAL HG21 H 1 1.046 0.02 . 2 . . . . 19 VAL HG2 . 6619 1 106 . 1 1 19 19 VAL HG22 H 1 1.046 0.02 . 2 . . . . 19 VAL HG2 . 6619 1 107 . 1 1 19 19 VAL HG23 H 1 1.046 0.02 . 2 . . . . 19 VAL HG2 . 6619 1 108 . 1 1 20 20 LEU H H 1 7.943 0.02 . 1 . . . . 20 LEU HN . 6619 1 109 . 1 1 20 20 LEU HA H 1 4.151 0.02 . 1 . . . . 20 LEU HA . 6619 1 110 . 1 1 20 20 LEU HB2 H 1 1.889 0.02 . 2 . . . . 20 LEU HB2 . 6619 1 111 . 1 1 20 20 LEU HD11 H 1 0.950 0.02 . 2 . . . . 20 LEU HD1 . 6619 1 112 . 1 1 20 20 LEU HD12 H 1 0.950 0.02 . 2 . . . . 20 LEU HD1 . 6619 1 113 . 1 1 20 20 LEU HD13 H 1 0.950 0.02 . 2 . . . . 20 LEU HD1 . 6619 1 114 . 1 1 20 20 LEU HD21 H 1 0.865 0.02 . 2 . . . . 20 LEU HD2 . 6619 1 115 . 1 1 20 20 LEU HD22 H 1 0.865 0.02 . 2 . . . . 20 LEU HD2 . 6619 1 116 . 1 1 20 20 LEU HD23 H 1 0.865 0.02 . 2 . . . . 20 LEU HD2 . 6619 1 117 . 1 1 21 21 LYS H H 1 7.690 0.02 . 1 . . . . 21 LYS HN . 6619 1 118 . 1 1 21 21 LYS HA H 1 4.096 0.02 . 1 . . . . 21 LYS HA . 6619 1 119 . 1 1 21 21 LYS HB2 H 1 1.662 0.02 . 2 . . . . 21 LYS HB1 . 6619 1 120 . 1 1 21 21 LYS HB3 H 1 1.983 0.02 . 2 . . . . 21 LYS HB2 . 6619 1 121 . 1 1 21 21 LYS HG2 H 1 1.494 0.02 . 2 . . . . 21 LYS HG2 . 6619 1 122 . 1 1 21 21 LYS HD2 H 1 1.736 0.02 . 2 . . . . 21 LYS HD2 . 6619 1 123 . 1 1 22 22 GLN H H 1 7.907 0.02 . 1 . . . . 22 GLN HN . 6619 1 124 . 1 1 22 22 GLN HA H 1 4.256 0.02 . 1 . . . . 22 GLN HA . 6619 1 125 . 1 1 22 22 GLN HB2 H 1 2.264 0.02 . 2 . . . . 22 GLN HB1 . 6619 1 126 . 1 1 22 22 GLN HB3 H 1 2.569 0.02 . 2 . . . . 22 GLN HB2 . 6619 1 127 . 1 1 23 23 LEU H H 1 7.939 0.02 . 1 . . . . 23 LEU HN . 6619 1 128 . 1 1 23 23 LEU HA H 1 4.141 0.02 . 1 . . . . 23 LEU HA . 6619 1 129 . 1 1 23 23 LEU HB2 H 1 1.751 0.02 . 2 . . . . 23 LEU HB2 . 6619 1 130 . 1 1 23 23 LEU HD11 H 1 1.065 0.02 . 2 . . . . 23 LEU HD1 . 6619 1 131 . 1 1 23 23 LEU HD12 H 1 1.065 0.02 . 2 . . . . 23 LEU HD1 . 6619 1 132 . 1 1 23 23 LEU HD13 H 1 1.065 0.02 . 2 . . . . 23 LEU HD1 . 6619 1 133 . 1 1 23 23 LEU HD21 H 1 1.023 0.02 . 2 . . . . 23 LEU HD2 . 6619 1 134 . 1 1 23 23 LEU HD22 H 1 1.023 0.02 . 2 . . . . 23 LEU HD2 . 6619 1 135 . 1 1 23 23 LEU HD23 H 1 1.023 0.02 . 2 . . . . 23 LEU HD2 . 6619 1 136 . 1 1 24 24 LYS H H 1 8.217 0.02 . 1 . . . . 24 LYS HN . 6619 1 137 . 1 1 24 24 LYS HA H 1 4.259 0.02 . 1 . . . . 24 LYS HA . 6619 1 138 . 1 1 24 24 LYS HB2 H 1 1.868 0.02 . 2 . . . . 24 LYS HB2 . 6619 1 139 . 1 1 24 24 LYS HG2 H 1 1.611 0.02 . 2 . . . . 24 LYS HG2 . 6619 1 140 . 1 1 25 25 LYS H H 1 7.886 0.02 . 1 . . . . 25 LYS HN . 6619 1 141 . 1 1 25 25 LYS HA H 1 4.318 0.02 . 1 . . . . 25 LYS HA . 6619 1 142 . 1 1 25 25 LYS HB2 H 1 1.751 0.02 . 2 . . . . 25 LYS HB1 . 6619 1 143 . 1 1 25 25 LYS HB3 H 1 1.961 0.02 . 2 . . . . 25 LYS HB2 . 6619 1 144 . 1 1 25 25 LYS HG2 H 1 1.515 0.02 . 2 . . . . 25 LYS HG2 . 6619 1 145 . 1 1 26 26 VAL H H 1 7.790 0.02 . 1 . . . . 26 VAL HN . 6619 1 146 . 1 1 26 26 VAL HA H 1 4.234 0.02 . 1 . . . . 26 VAL HA . 6619 1 147 . 1 1 26 26 VAL HB H 1 2.013 0.02 . 1 . . . . 26 VAL HB . 6619 1 148 . 1 1 26 26 VAL HG21 H 1 0.934 0.02 . 2 . . . . 26 VAL HG2 . 6619 1 149 . 1 1 26 26 VAL HG22 H 1 0.934 0.02 . 2 . . . . 26 VAL HG2 . 6619 1 150 . 1 1 26 26 VAL HG23 H 1 0.934 0.02 . 2 . . . . 26 VAL HG2 . 6619 1 151 . 1 1 27 27 SER H H 1 7.871 0.02 . 1 . . . . 27 SER HN . 6619 1 152 . 1 1 27 27 SER HA H 1 4.445 0.02 . 1 . . . . 27 SER HA . 6619 1 153 . 1 1 27 27 SER HB2 H 1 3.930 0.02 . 2 . . . . 27 SER HB2 . 6619 1 stop_ save_