data_4907 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4907 _Entry.Title ; NMR Solution Structure of Phospholamban ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2000-11-30 _Entry.Accession_date 2000-11-30 _Entry.Last_release_date 2000-12-22 _Entry.Original_release_date 2000-12-22 _Entry.Origination author _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 Stefanie Lamberth . . . 4907 2 Holger Schmid . . . 4907 3 Martin Muenchbach . . . 4907 4 Thomas Vorherr . . . 4907 5 Joachim Krebs . . . 4907 6 Ernesto Carafoli . . . 4907 7 Christian Griesinger . . . 4907 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4907 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 361 4907 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 . . 2000-12-22 2000-11-30 original author . 4907 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4907 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR Solution Structure of Phospholamban' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Helv. Chim. Acta' _Citation.Journal_name_full . _Citation.Journal_volume 83 _Citation.Journal_issue . _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 2141 _Citation.Page_last 2152 _Citation.Year 2000 _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 Christian Griesinger . . . 4907 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_PLB _Assembly.Sf_category assembly _Assembly.Sf_framecode system_PLB _Assembly.Entry_ID 4907 _Assembly.ID 1 _Assembly.Name 'Phospholamban (C41F)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4907 1 stop_ 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 phospholamban 1 $phospholamban . . . native . . . . . 4907 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1FJKA . 'Chain A, Nmr Solution Structure Of Phospholamban (C41f)' . . . . 4907 1 . PDB 1FJPA . 'Chain A, Nmr Solution Structure Of Phospholamban (C41f)' . . . . 4907 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Phospholamban (C41F)' system 4907 1 PLB abbreviation 4907 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'amphipathic intrinsic membrane protein' 4907 1 'modulator of the calcium pump in sarcoplasmic reticulum' 4907 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_phospholamban _Entity.Sf_category entity _Entity.Sf_framecode phospholamban _Entity.Entry_ID 4907 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Phospholamban _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 ; MDKVQYLTRSAIRRASTIEM PQQARQNLQNLFINFCLILI FLLLICIIVMLL ; _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 52 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 PDB 1FJK . "Nmr Solution Structure Of Phospholamban (C41f)" . . . . . 100.00 52 100.00 100.00 1.94e-26 . . . . 4907 1 2 no PDB 1FJP . "Nmr Solution Structure Of Phospholamban (C41f)" . . . . . 100.00 52 100.00 100.00 1.94e-26 . . . . 4907 1 3 no EMBL CAA33171 . "unnamed protein product [Sus scrofa]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 4 no EMBL CAA68461 . "unnamed protein product [Canis lupus familiaris]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 5 no GB AAA30884 . "cardiac phospholamban [Canis lupus]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 6 no GB AAC41618 . "cardiac phospholamban (EC 2.7..1.37) [Canis sp.]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 7 no GB AAT44582 . "phospholamban [Canis lupus familiaris]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 8 no GB AAT48602 . "phospholamban [Canis lupus familiaris]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 9 no REF NP_001003332 . "cardiac phospholamban [Canis lupus familiaris]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 10 no REF NP_999378 . "cardiac phospholamban [Sus scrofa]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 11 no REF XP_004011215 . "PREDICTED: cardiac phospholamban [Ovis aries]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 12 no REF XP_005684581 . "PREDICTED: cardiac phospholamban [Capra hircus]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 13 no REF XP_005907763 . "PREDICTED: cardiac phospholamban [Bos mutus]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 14 no SP P61012 . "RecName: Full=Cardiac phospholamban; Short=PLB [Canis lupus familiaris]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 15 no SP P61013 . "RecName: Full=Cardiac phospholamban; Short=PLB [Sus scrofa]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 16 no TPG DAA26325 . "TPA: phospholamban [Bos taurus]" . . . . . 100.00 52 98.08 98.08 4.65e-25 . . . . 4907 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Phospholamban common 4907 1 'PLB, PLN' abbreviation 4907 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 . 4907 1 2 . ASP . 4907 1 3 . LYS . 4907 1 4 . VAL . 4907 1 5 . GLN . 4907 1 6 . TYR . 4907 1 7 . LEU . 4907 1 8 . THR . 4907 1 9 . ARG . 4907 1 10 . SER . 4907 1 11 . ALA . 4907 1 12 . ILE . 4907 1 13 . ARG . 4907 1 14 . ARG . 4907 1 15 . ALA . 4907 1 16 . SER . 4907 1 17 . THR . 4907 1 18 . ILE . 4907 1 19 . GLU . 4907 1 20 . MET . 4907 1 21 . PRO . 4907 1 22 . GLN . 4907 1 23 . GLN . 4907 1 24 . ALA . 4907 1 25 . ARG . 4907 1 26 . GLN . 4907 1 27 . ASN . 4907 1 28 . LEU . 4907 1 29 . GLN . 4907 1 30 . ASN . 4907 1 31 . LEU . 4907 1 32 . PHE . 4907 1 33 . ILE . 4907 1 34 . ASN . 4907 1 35 . PHE . 4907 1 36 . CYS . 4907 1 37 . LEU . 4907 1 38 . ILE . 4907 1 39 . LEU . 4907 1 40 . ILE . 4907 1 41 . PHE . 4907 1 42 . LEU . 4907 1 43 . LEU . 4907 1 44 . LEU . 4907 1 45 . ILE . 4907 1 46 . CYS . 4907 1 47 . ILE . 4907 1 48 . ILE . 4907 1 49 . VAL . 4907 1 50 . MET . 4907 1 51 . LEU . 4907 1 52 . LEU . 4907 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 4907 1 . ASP 2 2 4907 1 . LYS 3 3 4907 1 . VAL 4 4 4907 1 . GLN 5 5 4907 1 . TYR 6 6 4907 1 . LEU 7 7 4907 1 . THR 8 8 4907 1 . ARG 9 9 4907 1 . SER 10 10 4907 1 . ALA 11 11 4907 1 . ILE 12 12 4907 1 . ARG 13 13 4907 1 . ARG 14 14 4907 1 . ALA 15 15 4907 1 . SER 16 16 4907 1 . THR 17 17 4907 1 . ILE 18 18 4907 1 . GLU 19 19 4907 1 . MET 20 20 4907 1 . PRO 21 21 4907 1 . GLN 22 22 4907 1 . GLN 23 23 4907 1 . ALA 24 24 4907 1 . ARG 25 25 4907 1 . GLN 26 26 4907 1 . ASN 27 27 4907 1 . LEU 28 28 4907 1 . GLN 29 29 4907 1 . ASN 30 30 4907 1 . LEU 31 31 4907 1 . PHE 32 32 4907 1 . ILE 33 33 4907 1 . ASN 34 34 4907 1 . PHE 35 35 4907 1 . CYS 36 36 4907 1 . LEU 37 37 4907 1 . ILE 38 38 4907 1 . LEU 39 39 4907 1 . ILE 40 40 4907 1 . PHE 41 41 4907 1 . LEU 42 42 4907 1 . LEU 43 43 4907 1 . LEU 44 44 4907 1 . ILE 45 45 4907 1 . CYS 46 46 4907 1 . ILE 47 47 4907 1 . ILE 48 48 4907 1 . VAL 49 49 4907 1 . MET 50 50 4907 1 . LEU 51 51 4907 1 . LEU 52 52 4907 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 4907 _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 $phospholamban . 9823 . . 'Sus scrofa' pig . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . . . . . . . . . 4907 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 4907 _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 $phospholamban . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4907 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4907 _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 Phospholamban . . . 1 $phospholamban . . 1.0 . . mM . . . . 4907 1 2 CDCl3 [U-2H] . . . . . . 50 . . %(v/v) . . . . 4907 1 3 CD3OH . . . . . . . 50 . . %(v/v) . . . . 4907 1 stop_ save_ ####################### # Sample conditions # ####################### save_exp_cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode exp_cond _Sample_condition_list.Entry_ID 4907 _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 7.0 0.2 n/a 4907 1 temperature 300 1 K 4907 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4907 _Software.ID 1 _Software.Name FELIX _Software.Version 98 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4907 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 4907 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4907 _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 NMR_spectrometer_1 Bruker DRX . 600 . . . 4907 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 4907 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 4907 _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 DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4907 1 2 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4907 1 3 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4907 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4907 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name DQF-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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4907 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _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_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4907 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 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 . _NMR_spec_expt.NMR_spectrometer_label . _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_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4907 _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 Methanol 'hydroxyl proton' . . . . ppm 4.9 internal direct . . . . . . . . . . 4907 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_shift_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_1 _Assigned_chem_shift_list.Entry_ID 4907 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $exp_cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 . 4907 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 H H 1 8.761 0.01 . 1 . . . . . . . . 4907 1 2 . 1 1 1 1 MET HA H 1 4.506 0.01 . 1 . . . . . . . . 4907 1 3 . 1 1 1 1 MET HB2 H 1 2.303 0.01 . 2 . . . . . . . . 4907 1 4 . 1 1 1 1 MET HB3 H 1 2.133 0.01 . 2 . . . . . . . . 4907 1 5 . 1 1 1 1 MET HG2 H 1 2.580 0.01 . 2 . . . . . . . . 4907 1 6 . 1 1 1 1 MET HG3 H 1 2.885 0.01 . 2 . . . . . . . . 4907 1 7 . 1 1 1 1 MET HE1 H 1 0.000 0.01 . 1 . . . . . . . . 4907 1 8 . 1 1 1 1 MET HE2 H 1 0.000 0.01 . 1 . . . . . . . . 4907 1 9 . 1 1 1 1 MET HE3 H 1 0.000 0.01 . 1 . . . . . . . . 4907 1 10 . 1 1 2 2 ASP H H 1 9.020 0.01 . 1 . . . . . . . . 4907 1 11 . 1 1 2 2 ASP HA H 1 4.768 0.01 . 1 . . . . . . . . 4907 1 12 . 1 1 2 2 ASP HB2 H 1 3.273 0.01 . 2 . . . . . . . . 4907 1 13 . 1 1 2 2 ASP HB3 H 1 3.087 0.01 . 2 . . . . . . . . 4907 1 14 . 1 1 3 3 LYS H H 1 8.100 0.01 . 1 . . . . . . . . 4907 1 15 . 1 1 3 3 LYS HA H 1 4.301 0.01 . 1 . . . . . . . . 4907 1 16 . 1 1 3 3 LYS HB2 H 1 2.246 0.01 . 2 . . . . . . . . 4907 1 17 . 1 1 3 3 LYS HB3 H 1 2.176 0.01 . 2 . . . . . . . . 4907 1 18 . 1 1 3 3 LYS HG2 H 1 1.680 0.01 . 2 . . . . . . . . 4907 1 19 . 1 1 3 3 LYS HG3 H 1 1.817 0.01 . 2 . . . . . . . . 4907 1 20 . 1 1 3 3 LYS HD2 H 1 1.886 0.01 . 2 . . . . . . . . 4907 1 21 . 1 1 3 3 LYS HE2 H 1 3.121 0.01 . 2 . . . . . . . . 4907 1 22 . 1 1 3 3 LYS HZ1 H 1 7.233 0.01 . 1 . . . . . . . . 4907 1 23 . 1 1 3 3 LYS HZ2 H 1 7.233 0.01 . 1 . . . . . . . . 4907 1 24 . 1 1 3 3 LYS HZ3 H 1 7.233 0.01 . 1 . . . . . . . . 4907 1 25 . 1 1 4 4 VAL H H 1 8.080 0.01 . 1 . . . . . . . . 4907 1 26 . 1 1 4 4 VAL HA H 1 3.820 0.01 . 1 . . . . . . . . 4907 1 27 . 1 1 4 4 VAL HB H 1 2.420 0.01 . 1 . . . . . . . . 4907 1 28 . 1 1 4 4 VAL HG11 H 1 1.280 0.01 . 2 . . . . . . . . 4907 1 29 . 1 1 4 4 VAL HG12 H 1 1.280 0.01 . 2 . . . . . . . . 4907 1 30 . 1 1 4 4 VAL HG13 H 1 1.280 0.01 . 2 . . . . . . . . 4907 1 31 . 1 1 4 4 VAL HG21 H 1 1.160 0.01 . 2 . . . . . . . . 4907 1 32 . 1 1 4 4 VAL HG22 H 1 1.160 0.01 . 2 . . . . . . . . 4907 1 33 . 1 1 4 4 VAL HG23 H 1 1.160 0.01 . 2 . . . . . . . . 4907 1 34 . 1 1 5 5 GLN H H 1 8.530 0.01 . 1 . . . . . . . . 4907 1 35 . 1 1 5 5 GLN HA H 1 4.200 0.01 . 1 . . . . . . . . 4907 1 36 . 1 1 5 5 GLN HB2 H 1 2.433 0.01 . 2 . . . . . . . . 4907 1 37 . 1 1 5 5 GLN HG2 H 1 2.690 0.01 . 2 . . . . . . . . 4907 1 38 . 1 1 5 5 GLN HG3 H 1 2.560 0.01 . 2 . . . . . . . . 4907 1 39 . 1 1 5 5 GLN HE21 H 1 6.750 0.01 . 1 . . . . . . . . 4907 1 40 . 1 1 5 5 GLN HE22 H 1 7.550 0.01 . 1 . . . . . . . . 4907 1 41 . 1 1 6 6 TYR H H 1 8.276 0.01 . 1 . . . . . . . . 4907 1 42 . 1 1 6 6 TYR HA H 1 4.270 0.01 . 1 . . . . . . . . 4907 1 43 . 1 1 6 6 TYR HB2 H 1 3.310 0.01 . 2 . . . . . . . . 4907 1 44 . 1 1 6 6 TYR HD1 H 1 6.890 0.01 . 3 . . . . . . . . 4907 1 45 . 1 1 6 6 TYR HE1 H 1 7.233 0.01 . 3 . . . . . . . . 4907 1 46 . 1 1 7 7 LEU H H 1 8.660 0.01 . 1 . . . . . . . . 4907 1 47 . 1 1 7 7 LEU HA H 1 4.100 0.01 . 1 . . . . . . . . 4907 1 48 . 1 1 7 7 LEU HB2 H 1 2.120 0.01 . 2 . . . . . . . . 4907 1 49 . 1 1 7 7 LEU HB3 H 1 1.790 0.01 . 2 . . . . . . . . 4907 1 50 . 1 1 7 7 LEU HD21 H 1 1.150 0.01 . 2 . . . . . . . . 4907 1 51 . 1 1 7 7 LEU HD22 H 1 1.150 0.01 . 2 . . . . . . . . 4907 1 52 . 1 1 7 7 LEU HD23 H 1 1.150 0.01 . 2 . . . . . . . . 4907 1 53 . 1 1 8 8 THR H H 1 8.360 0.01 . 1 . . . . . . . . 4907 1 54 . 1 1 8 8 THR HA H 1 4.020 0.01 . 1 . . . . . . . . 4907 1 55 . 1 1 8 8 THR HB H 1 4.390 0.01 . 1 . . . . . . . . 4907 1 56 . 1 1 8 8 THR HG21 H 1 1.410 0.01 . 1 . . . . . . . . 4907 1 57 . 1 1 8 8 THR HG22 H 1 1.410 0.01 . 1 . . . . . . . . 4907 1 58 . 1 1 8 8 THR HG23 H 1 1.410 0.01 . 1 . . . . . . . . 4907 1 59 . 1 1 9 9 ARG H H 1 8.440 0.01 . 1 . . . . . . . . 4907 1 60 . 1 1 9 9 ARG HA H 1 4.150 0.01 . 1 . . . . . . . . 4907 1 61 . 1 1 9 9 ARG HB2 H 1 2.017 0.01 . 2 . . . . . . . . 4907 1 62 . 1 1 9 9 ARG HB3 H 1 2.164 0.01 . 2 . . . . . . . . 4907 1 63 . 1 1 9 9 ARG HG2 H 1 1.800 0.01 . 2 . . . . . . . . 4907 1 64 . 1 1 9 9 ARG HD2 H 1 3.360 0.01 . 2 . . . . . . . . 4907 1 65 . 1 1 9 9 ARG HE H 1 7.865 0.01 . 1 . . . . . . . . 4907 1 66 . 1 1 10 10 SER H H 1 8.300 0.01 . 1 . . . . . . . . 4907 1 67 . 1 1 10 10 SER HA H 1 4.200 0.01 . 1 . . . . . . . . 4907 1 68 . 1 1 10 10 SER HB2 H 1 3.960 0.01 . 2 . . . . . . . . 4907 1 69 . 1 1 10 10 SER HB3 H 1 4.050 0.01 . 2 . . . . . . . . 4907 1 70 . 1 1 11 11 ALA H H 1 8.310 0.01 . 1 . . . . . . . . 4907 1 71 . 1 1 11 11 ALA HA H 1 4.210 0.01 . 1 . . . . . . . . 4907 1 72 . 1 1 11 11 ALA HB1 H 1 1.760 0.01 . 1 . . . . . . . . 4907 1 73 . 1 1 11 11 ALA HB2 H 1 1.760 0.01 . 1 . . . . . . . . 4907 1 74 . 1 1 11 11 ALA HB3 H 1 1.760 0.01 . 1 . . . . . . . . 4907 1 75 . 1 1 12 12 ILE H H 1 8.280 0.01 . 1 . . . . . . . . 4907 1 76 . 1 1 12 12 ILE HA H 1 3.850 0.01 . 1 . . . . . . . . 4907 1 77 . 1 1 12 12 ILE HB H 1 2.120 0.01 . 1 . . . . . . . . 4907 1 78 . 1 1 12 12 ILE HG12 H 1 1.740 0.01 . 2 . . . . . . . . 4907 1 79 . 1 1 12 12 ILE HD11 H 1 1.030 0.01 . 1 . . . . . . . . 4907 1 80 . 1 1 12 12 ILE HD12 H 1 1.030 0.01 . 1 . . . . . . . . 4907 1 81 . 1 1 12 12 ILE HD13 H 1 1.030 0.01 . 1 . . . . . . . . 4907 1 82 . 1 1 13 13 ARG H H 1 8.660 0.01 . 1 . . . . . . . . 4907 1 83 . 1 1 13 13 ARG HA H 1 4.100 0.01 . 1 . . . . . . . . 4907 1 84 . 1 1 13 13 ARG HB2 H 1 2.130 0.01 . 2 . . . . . . . . 4907 1 85 . 1 1 13 13 ARG HG2 H 1 2.080 0.01 . 2 . . . . . . . . 4907 1 86 . 1 1 13 13 ARG HG3 H 1 1.780 0.01 . 2 . . . . . . . . 4907 1 87 . 1 1 13 13 ARG HD2 H 1 3.290 0.01 . 2 . . . . . . . . 4907 1 88 . 1 1 13 13 ARG HD3 H 1 3.370 0.01 . 2 . . . . . . . . 4907 1 89 . 1 1 13 13 ARG HE H 1 7.810 0.01 . 1 . . . . . . . . 4907 1 90 . 1 1 14 14 ARG H H 1 8.790 0.01 . 1 . . . . . . . . 4907 1 91 . 1 1 14 14 ARG HA H 1 4.160 0.01 . 1 . . . . . . . . 4907 1 92 . 1 1 14 14 ARG HB2 H 1 2.140 0.01 . 2 . . . . . . . . 4907 1 93 . 1 1 14 14 ARG HG2 H 1 1.850 0.01 . 2 . . . . . . . . 4907 1 94 . 1 1 14 14 ARG HG3 H 1 2.050 0.01 . 2 . . . . . . . . 4907 1 95 . 1 1 14 14 ARG HD2 H 1 3.360 0.01 . 2 . . . . . . . . 4907 1 96 . 1 1 14 14 ARG HE H 1 7.606 0.01 . 1 . . . . . . . . 4907 1 97 . 1 1 15 15 ALA H H 1 8.780 0.01 . 1 . . . . . . . . 4907 1 98 . 1 1 15 15 ALA HA H 1 4.230 0.01 . 1 . . . . . . . . 4907 1 99 . 1 1 15 15 ALA HB1 H 1 1.740 0.01 . 1 . . . . . . . . 4907 1 100 . 1 1 15 15 ALA HB2 H 1 1.740 0.01 . 1 . . . . . . . . 4907 1 101 . 1 1 15 15 ALA HB3 H 1 1.740 0.01 . 1 . . . . . . . . 4907 1 102 . 1 1 16 16 SER H H 1 8.590 0.01 . 1 . . . . . . . . 4907 1 103 . 1 1 16 16 SER HA H 1 4.360 0.01 . 1 . . . . . . . . 4907 1 104 . 1 1 16 16 SER HB2 H 1 4.160 0.01 . 2 . . . . . . . . 4907 1 105 . 1 1 16 16 SER HB3 H 1 4.260 0.01 . 2 . . . . . . . . 4907 1 106 . 1 1 17 17 THR H H 1 7.880 0.01 . 1 . . . . . . . . 4907 1 107 . 1 1 17 17 THR HA H 1 4.220 0.01 . 1 . . . . . . . . 4907 1 108 . 1 1 17 17 THR HB H 1 4.530 0.01 . 1 . . . . . . . . 4907 1 109 . 1 1 17 17 THR HG21 H 1 1.520 0.01 . 1 . . . . . . . . 4907 1 110 . 1 1 17 17 THR HG22 H 1 1.520 0.01 . 1 . . . . . . . . 4907 1 111 . 1 1 17 17 THR HG23 H 1 1.520 0.01 . 1 . . . . . . . . 4907 1 112 . 1 1 18 18 ILE H H 1 7.620 0.01 . 1 . . . . . . . . 4907 1 113 . 1 1 18 18 ILE HA H 1 4.240 0.01 . 1 . . . . . . . . 4907 1 114 . 1 1 18 18 ILE HB H 1 2.180 0.01 . 1 . . . . . . . . 4907 1 115 . 1 1 18 18 ILE HG12 H 1 1.880 0.01 . 2 . . . . . . . . 4907 1 116 . 1 1 18 18 ILE HG21 H 1 1.174 0.01 . 1 . . . . . . . . 4907 1 117 . 1 1 18 18 ILE HG22 H 1 1.174 0.01 . 1 . . . . . . . . 4907 1 118 . 1 1 18 18 ILE HG23 H 1 1.174 0.01 . 1 . . . . . . . . 4907 1 119 . 1 1 18 18 ILE HD11 H 1 1.460 0.01 . 1 . . . . . . . . 4907 1 120 . 1 1 18 18 ILE HD12 H 1 1.460 0.01 . 1 . . . . . . . . 4907 1 121 . 1 1 18 18 ILE HD13 H 1 1.460 0.01 . 1 . . . . . . . . 4907 1 122 . 1 1 19 19 GLU H H 1 8.240 0.01 . 1 . . . . . . . . 4907 1 123 . 1 1 19 19 GLU HA H 1 4.440 0.01 . 1 . . . . . . . . 4907 1 124 . 1 1 19 19 GLU HB2 H 1 2.380 0.01 . 2 . . . . . . . . 4907 1 125 . 1 1 19 19 GLU HB3 H 1 2.310 0.01 . 2 . . . . . . . . 4907 1 126 . 1 1 19 19 GLU HG2 H 1 2.667 0.01 . 1 . . . . . . . . 4907 1 127 . 1 1 19 19 GLU HG3 H 1 2.667 0.01 . 1 . . . . . . . . 4907 1 128 . 1 1 20 20 MET H H 1 8.400 0.01 . 1 . . . . . . . . 4907 1 129 . 1 1 20 20 MET HA H 1 4.580 0.01 . 1 . . . . . . . . 4907 1 130 . 1 1 20 20 MET HB2 H 1 2.560 0.01 . 2 . . . . . . . . 4907 1 131 . 1 1 20 20 MET HB3 H 1 2.340 0.01 . 2 . . . . . . . . 4907 1 132 . 1 1 20 20 MET HG2 H 1 2.790 0.01 . 2 . . . . . . . . 4907 1 133 . 1 1 20 20 MET HG3 H 1 2.970 0.01 . 2 . . . . . . . . 4907 1 134 . 1 1 21 21 PRO HA H 1 4.580 0.01 . 1 . . . . . . . . 4907 1 135 . 1 1 21 21 PRO HB2 H 1 2.490 0.01 . 2 . . . . . . . . 4907 1 136 . 1 1 21 21 PRO HB3 H 1 2.040 0.01 . 2 . . . . . . . . 4907 1 137 . 1 1 21 21 PRO HG2 H 1 2.530 0.01 . 2 . . . . . . . . 4907 1 138 . 1 1 21 21 PRO HG3 H 1 2.174 0.01 . 2 . . . . . . . . 4907 1 139 . 1 1 21 21 PRO HD2 H 1 3.910 0.01 . 2 . . . . . . . . 4907 1 140 . 1 1 22 22 GLN H H 1 7.510 0.01 . 1 . . . . . . . . 4907 1 141 . 1 1 22 22 GLN HA H 1 4.340 0.01 . 1 . . . . . . . . 4907 1 142 . 1 1 22 22 GLN HB2 H 1 2.350 0.01 . 2 . . . . . . . . 4907 1 143 . 1 1 22 22 GLN HB3 H 1 2.410 0.01 . 2 . . . . . . . . 4907 1 144 . 1 1 22 22 GLN HG2 H 1 2.667 0.01 . 1 . . . . . . . . 4907 1 145 . 1 1 22 22 GLN HG3 H 1 2.667 0.01 . 1 . . . . . . . . 4907 1 146 . 1 1 22 22 GLN HE21 H 1 6.860 0.01 . 1 . . . . . . . . 4907 1 147 . 1 1 22 22 GLN HE22 H 1 7.750 0.01 . 1 . . . . . . . . 4907 1 148 . 1 1 23 23 GLN H H 1 8.430 0.01 . 1 . . . . . . . . 4907 1 149 . 1 1 23 23 GLN HA H 1 4.160 0.01 . 1 . . . . . . . . 4907 1 150 . 1 1 23 23 GLN HB2 H 1 2.340 0.01 . 2 . . . . . . . . 4907 1 151 . 1 1 23 23 GLN HB3 H 1 2.430 0.01 . 2 . . . . . . . . 4907 1 152 . 1 1 23 23 GLN HG2 H 1 2.550 0.01 . 2 . . . . . . . . 4907 1 153 . 1 1 23 23 GLN HE21 H 1 6.660 0.01 . 1 . . . . . . . . 4907 1 154 . 1 1 23 23 GLN HE22 H 1 7.460 0.01 . 1 . . . . . . . . 4907 1 155 . 1 1 24 24 ALA H H 1 8.530 0.01 . 1 . . . . . . . . 4907 1 156 . 1 1 24 24 ALA HA H 1 4.300 0.01 . 1 . . . . . . . . 4907 1 157 . 1 1 24 24 ALA HB1 H 1 1.700 0.01 . 1 . . . . . . . . 4907 1 158 . 1 1 24 24 ALA HB2 H 1 1.700 0.01 . 1 . . . . . . . . 4907 1 159 . 1 1 24 24 ALA HB3 H 1 1.700 0.01 . 1 . . . . . . . . 4907 1 160 . 1 1 25 25 ARG H H 1 8.120 0.01 . 1 . . . . . . . . 4907 1 161 . 1 1 25 25 ARG HA H 1 4.070 0.01 . 1 . . . . . . . . 4907 1 162 . 1 1 25 25 ARG HB2 H 1 2.176 0.01 . 2 . . . . . . . . 4907 1 163 . 1 1 25 25 ARG HB3 H 1 2.072 0.01 . 2 . . . . . . . . 4907 1 164 . 1 1 25 25 ARG HG2 H 1 1.830 0.01 . 2 . . . . . . . . 4907 1 165 . 1 1 25 25 ARG HG3 H 1 1.930 0.01 . 2 . . . . . . . . 4907 1 166 . 1 1 25 25 ARG HD2 H 1 3.440 0.01 . 2 . . . . . . . . 4907 1 167 . 1 1 26 26 GLN H H 1 8.530 0.01 . 1 . . . . . . . . 4907 1 168 . 1 1 26 26 GLN HA H 1 4.100 0.01 . 1 . . . . . . . . 4907 1 169 . 1 1 26 26 GLN HB2 H 1 2.350 0.01 . 2 . . . . . . . . 4907 1 170 . 1 1 26 26 GLN HB3 H 1 2.290 0.01 . 2 . . . . . . . . 4907 1 171 . 1 1 26 26 GLN HG2 H 1 2.545 0.01 . 1 . . . . . . . . 4907 1 172 . 1 1 26 26 GLN HG3 H 1 2.545 0.01 . 1 . . . . . . . . 4907 1 173 . 1 1 26 26 GLN HE21 H 1 6.830 0.01 . 1 . . . . . . . . 4907 1 174 . 1 1 26 26 GLN HE22 H 1 7.260 0.01 . 1 . . . . . . . . 4907 1 175 . 1 1 27 27 ASN H H 1 8.700 0.01 . 1 . . . . . . . . 4907 1 176 . 1 1 27 27 ASN HA H 1 4.640 0.01 . 1 . . . . . . . . 4907 1 177 . 1 1 27 27 ASN HB2 H 1 3.220 0.01 . 2 . . . . . . . . 4907 1 178 . 1 1 27 27 ASN HB3 H 1 2.880 0.01 . 2 . . . . . . . . 4907 1 179 . 1 1 27 27 ASN HD21 H 1 6.830 0.01 . 1 . . . . . . . . 4907 1 180 . 1 1 27 27 ASN HD22 H 1 7.610 0.01 . 1 . . . . . . . . 4907 1 181 . 1 1 28 28 LEU H H 1 8.250 0.01 . 1 . . . . . . . . 4907 1 182 . 1 1 28 28 LEU HA H 1 4.250 0.01 . 1 . . . . . . . . 4907 1 183 . 1 1 28 28 LEU HB2 H 1 1.880 0.01 . 2 . . . . . . . . 4907 1 184 . 1 1 28 28 LEU HB3 H 1 2.040 0.01 . 2 . . . . . . . . 4907 1 185 . 1 1 28 28 LEU HG H 1 0.000 0.01 . 1 . . . . . . . . 4907 1 186 . 1 1 28 28 LEU HD21 H 1 1.090 0.01 . 2 . . . . . . . . 4907 1 187 . 1 1 28 28 LEU HD22 H 1 1.090 0.01 . 2 . . . . . . . . 4907 1 188 . 1 1 28 28 LEU HD23 H 1 1.090 0.01 . 2 . . . . . . . . 4907 1 189 . 1 1 29 29 GLN H H 1 8.510 0.01 . 1 . . . . . . . . 4907 1 190 . 1 1 29 29 GLN HA H 1 4.210 0.01 . 1 . . . . . . . . 4907 1 191 . 1 1 29 29 GLN HB2 H 1 2.350 0.01 . 2 . . . . . . . . 4907 1 192 . 1 1 29 29 GLN HB3 H 1 2.450 0.01 . 2 . . . . . . . . 4907 1 193 . 1 1 29 29 GLN HG2 H 1 2.639 0.01 . 2 . . . . . . . . 4907 1 194 . 1 1 29 29 GLN HG3 H 1 2.532 0.01 . 2 . . . . . . . . 4907 1 195 . 1 1 29 29 GLN HE21 H 1 6.760 0.01 . 1 . . . . . . . . 4907 1 196 . 1 1 29 29 GLN HE22 H 1 7.490 0.01 . 1 . . . . . . . . 4907 1 197 . 1 1 30 30 ASN H H 1 8.710 0.01 . 1 . . . . . . . . 4907 1 198 . 1 1 30 30 ASN HA H 1 4.650 0.01 . 1 . . . . . . . . 4907 1 199 . 1 1 30 30 ASN HB2 H 1 3.250 0.01 . 2 . . . . . . . . 4907 1 200 . 1 1 30 30 ASN HB3 H 1 2.950 0.01 . 2 . . . . . . . . 4907 1 201 . 1 1 30 30 ASN HD21 H 1 6.840 0.01 . 1 . . . . . . . . 4907 1 202 . 1 1 30 30 ASN HD22 H 1 7.790 0.01 . 1 . . . . . . . . 4907 1 203 . 1 1 31 31 LEU H H 1 8.480 0.01 . 1 . . . . . . . . 4907 1 204 . 1 1 31 31 LEU HA H 1 4.200 0.01 . 1 . . . . . . . . 4907 1 205 . 1 1 31 31 LEU HB2 H 1 2.200 0.01 . 2 . . . . . . . . 4907 1 206 . 1 1 31 31 LEU HB3 H 1 2.110 0.01 . 2 . . . . . . . . 4907 1 207 . 1 1 31 31 LEU HG H 1 1.930 0.01 . 1 . . . . . . . . 4907 1 208 . 1 1 31 31 LEU HD21 H 1 1.090 0.01 . 2 . . . . . . . . 4907 1 209 . 1 1 31 31 LEU HD22 H 1 1.090 0.01 . 2 . . . . . . . . 4907 1 210 . 1 1 31 31 LEU HD23 H 1 1.090 0.01 . 2 . . . . . . . . 4907 1 211 . 1 1 32 32 PHE H H 1 8.370 0.01 . 1 . . . . . . . . 4907 1 212 . 1 1 32 32 PHE HA H 1 4.500 0.01 . 1 . . . . . . . . 4907 1 213 . 1 1 32 32 PHE HB2 H 1 3.490 0.01 . 2 . . . . . . . . 4907 1 214 . 1 1 32 32 PHE HD1 H 1 7.400 0.01 . 3 . . . . . . . . 4907 1 215 . 1 1 33 33 ILE H H 1 8.810 0.01 . 1 . . . . . . . . 4907 1 216 . 1 1 33 33 ILE HA H 1 3.780 0.01 . 1 . . . . . . . . 4907 1 217 . 1 1 33 33 ILE HB H 1 2.260 0.01 . 1 . . . . . . . . 4907 1 218 . 1 1 33 33 ILE HG12 H 1 2.140 0.01 . 2 . . . . . . . . 4907 1 219 . 1 1 33 33 ILE HG21 H 1 1.540 0.01 . 1 . . . . . . . . 4907 1 220 . 1 1 33 33 ILE HG22 H 1 1.540 0.01 . 1 . . . . . . . . 4907 1 221 . 1 1 33 33 ILE HG23 H 1 1.540 0.01 . 1 . . . . . . . . 4907 1 222 . 1 1 34 34 ASN H H 1 8.270 0.01 . 1 . . . . . . . . 4907 1 223 . 1 1 34 34 ASN HA H 1 4.540 0.01 . 1 . . . . . . . . 4907 1 224 . 1 1 34 34 ASN HB2 H 1 3.110 0.01 . 2 . . . . . . . . 4907 1 225 . 1 1 34 34 ASN HB3 H 1 2.840 0.01 . 2 . . . . . . . . 4907 1 226 . 1 1 34 34 ASN HD21 H 1 6.660 0.01 . 1 . . . . . . . . 4907 1 227 . 1 1 34 34 ASN HD22 H 1 7.410 0.01 . 1 . . . . . . . . 4907 1 228 . 1 1 35 35 PHE H H 1 8.670 0.01 . 1 . . . . . . . . 4907 1 229 . 1 1 35 35 PHE HA H 1 4.430 0.01 . 1 . . . . . . . . 4907 1 230 . 1 1 35 35 PHE HB2 H 1 3.450 0.01 . 2 . . . . . . . . 4907 1 231 . 1 1 35 35 PHE HD1 H 1 7.360 0.01 . 3 . . . . . . . . 4907 1 232 . 1 1 36 36 CYS H H 1 8.260 0.01 . 1 . . . . . . . . 4907 1 233 . 1 1 36 36 CYS HA H 1 4.000 0.01 . 1 . . . . . . . . 4907 1 234 . 1 1 36 36 CYS HB2 H 1 3.357 0.01 . 2 . . . . . . . . 4907 1 235 . 1 1 36 36 CYS HB3 H 1 2.763 0.01 . 2 . . . . . . . . 4907 1 236 . 1 1 37 37 LEU H H 1 8.200 0.01 . 1 . . . . . . . . 4907 1 237 . 1 1 37 37 LEU HA H 1 4.140 0.01 . 1 . . . . . . . . 4907 1 238 . 1 1 37 37 LEU HB2 H 1 2.16 0.01 . 2 . . . . . . . . 4907 1 239 . 1 1 37 37 LEU HG H 1 1.850 0.01 . 1 . . . . . . . . 4907 1 240 . 1 1 37 37 LEU HD11 H 1 1.080 0.01 . 2 . . . . . . . . 4907 1 241 . 1 1 37 37 LEU HD12 H 1 1.080 0.01 . 2 . . . . . . . . 4907 1 242 . 1 1 37 37 LEU HD13 H 1 1.080 0.01 . 2 . . . . . . . . 4907 1 243 . 1 1 37 37 LEU HD21 H 1 1.000 0.01 . 2 . . . . . . . . 4907 1 244 . 1 1 37 37 LEU HD22 H 1 1.000 0.01 . 2 . . . . . . . . 4907 1 245 . 1 1 37 37 LEU HD23 H 1 1.000 0.01 . 2 . . . . . . . . 4907 1 246 . 1 1 38 38 ILE H H 1 8.110 0.01 . 1 . . . . . . . . 4907 1 247 . 1 1 38 38 ILE HA H 1 3.860 0.01 . 1 . . . . . . . . 4907 1 248 . 1 1 38 38 ILE HB H 1 2.170 0.01 . 1 . . . . . . . . 4907 1 249 . 1 1 38 38 ILE HG21 H 1 1.290 0.01 . 1 . . . . . . . . 4907 1 250 . 1 1 38 38 ILE HG22 H 1 1.290 0.01 . 1 . . . . . . . . 4907 1 251 . 1 1 38 38 ILE HG23 H 1 1.290 0.01 . 1 . . . . . . . . 4907 1 252 . 1 1 38 38 ILE HD11 H 1 1.030 0.01 . 1 . . . . . . . . 4907 1 253 . 1 1 38 38 ILE HD12 H 1 1.030 0.01 . 1 . . . . . . . . 4907 1 254 . 1 1 38 38 ILE HD13 H 1 1.030 0.01 . 1 . . . . . . . . 4907 1 255 . 1 1 39 39 LEU H H 1 7.910 0.01 . 1 . . . . . . . . 4907 1 256 . 1 1 39 39 LEU HA H 1 4.110 0.01 . 1 . . . . . . . . 4907 1 257 . 1 1 39 39 LEU HB2 H 1 1.870 0.01 . 2 . . . . . . . . 4907 1 258 . 1 1 39 39 LEU HG H 1 1.720 0.01 . 1 . . . . . . . . 4907 1 259 . 1 1 39 39 LEU HD21 H 1 0.950 0.01 . 2 . . . . . . . . 4907 1 260 . 1 1 39 39 LEU HD22 H 1 0.950 0.01 . 2 . . . . . . . . 4907 1 261 . 1 1 39 39 LEU HD23 H 1 0.950 0.01 . 2 . . . . . . . . 4907 1 262 . 1 1 40 40 ILE H H 1 8.260 0.01 . 1 . . . . . . . . 4907 1 263 . 1 1 40 40 ILE HA H 1 3.790 0.01 . 1 . . . . . . . . 4907 1 264 . 1 1 40 40 ILE HB H 1 2.210 0.01 . 1 . . . . . . . . 4907 1 265 . 1 1 40 40 ILE HG12 H 1 1.970 0.01 . 2 . . . . . . . . 4907 1 266 . 1 1 40 40 ILE HG21 H 1 1.320 0.01 . 1 . . . . . . . . 4907 1 267 . 1 1 40 40 ILE HG22 H 1 1.320 0.01 . 1 . . . . . . . . 4907 1 268 . 1 1 40 40 ILE HG23 H 1 1.320 0.01 . 1 . . . . . . . . 4907 1 269 . 1 1 40 40 ILE HD11 H 1 1.000 0.01 . 1 . . . . . . . . 4907 1 270 . 1 1 40 40 ILE HD12 H 1 1.000 0.01 . 1 . . . . . . . . 4907 1 271 . 1 1 40 40 ILE HD13 H 1 1.000 0.01 . 1 . . . . . . . . 4907 1 272 . 1 1 41 41 PHE H H 1 8.340 0.01 . 1 . . . . . . . . 4907 1 273 . 1 1 41 41 PHE HA H 1 4.400 0.01 . 1 . . . . . . . . 4907 1 274 . 1 1 41 41 PHE HB2 H 1 3.250 0.01 . 2 . . . . . . . . 4907 1 275 . 1 1 41 41 PHE HD1 H 1 7.390 0.01 . 3 . . . . . . . . 4907 1 276 . 1 1 42 42 LEU H H 1 8.600 0.01 . 1 . . . . . . . . 4907 1 277 . 1 1 42 42 LEU HA H 1 4.120 0.01 . 1 . . . . . . . . 4907 1 278 . 1 1 42 42 LEU HB2 H 1 2.150 0.01 . 2 . . . . . . . . 4907 1 279 . 1 1 42 42 LEU HG H 1 1.730 0.01 . 1 . . . . . . . . 4907 1 280 . 1 1 42 42 LEU HD21 H 1 1.070 0.01 . 2 . . . . . . . . 4907 1 281 . 1 1 42 42 LEU HD22 H 1 1.070 0.01 . 2 . . . . . . . . 4907 1 282 . 1 1 42 42 LEU HD23 H 1 1.070 0.01 . 2 . . . . . . . . 4907 1 283 . 1 1 43 43 LEU H H 1 8.440 0.01 . 1 . . . . . . . . 4907 1 284 . 1 1 43 43 LEU HA H 1 4.050 0.01 . 1 . . . . . . . . 4907 1 285 . 1 1 43 43 LEU HB2 H 1 2.070 0.01 . 2 . . . . . . . . 4907 1 286 . 1 1 43 43 LEU HB3 H 1 1.610 0.01 . 2 . . . . . . . . 4907 1 287 . 1 1 43 43 LEU HD21 H 1 1.110 0.01 . 2 . . . . . . . . 4907 1 288 . 1 1 43 43 LEU HD22 H 1 1.110 0.01 . 2 . . . . . . . . 4907 1 289 . 1 1 43 43 LEU HD23 H 1 1.110 0.01 . 2 . . . . . . . . 4907 1 290 . 1 1 44 44 LEU H H 1 8.360 0.01 . 1 . . . . . . . . 4907 1 291 . 1 1 44 44 LEU HA H 1 4.150 0.01 . 1 . . . . . . . . 4907 1 292 . 1 1 44 44 LEU HB2 H 1 2.050 0.01 . 2 . . . . . . . . 4907 1 293 . 1 1 44 44 LEU HG H 1 1.860 0.01 . 1 . . . . . . . . 4907 1 294 . 1 1 44 44 LEU HD21 H 1 1.110 0.01 . 2 . . . . . . . . 4907 1 295 . 1 1 44 44 LEU HD22 H 1 1.110 0.01 . 2 . . . . . . . . 4907 1 296 . 1 1 44 44 LEU HD23 H 1 1.110 0.01 . 2 . . . . . . . . 4907 1 297 . 1 1 45 45 ILE H H 1 8.345 0.01 . 1 . . . . . . . . 4907 1 298 . 1 1 45 45 ILE HA H 1 3.780 0.01 . 1 . . . . . . . . 4907 1 299 . 1 1 45 45 ILE HB H 1 2.210 0.01 . 1 . . . . . . . . 4907 1 300 . 1 1 45 45 ILE HG12 H 1 1.230 0.01 . 2 . . . . . . . . 4907 1 301 . 1 1 45 45 ILE HG13 H 1 1.570 0.01 . 2 . . . . . . . . 4907 1 302 . 1 1 45 45 ILE HG21 H 1 1.070 0.01 . 1 . . . . . . . . 4907 1 303 . 1 1 45 45 ILE HG22 H 1 1.070 0.01 . 1 . . . . . . . . 4907 1 304 . 1 1 45 45 ILE HG23 H 1 1.070 0.01 . 1 . . . . . . . . 4907 1 305 . 1 1 45 45 ILE HD11 H 1 0.790 0.01 . 1 . . . . . . . . 4907 1 306 . 1 1 45 45 ILE HD12 H 1 0.790 0.01 . 1 . . . . . . . . 4907 1 307 . 1 1 45 45 ILE HD13 H 1 0.790 0.01 . 1 . . . . . . . . 4907 1 308 . 1 1 46 46 CYS H H 1 8.150 0.01 . 1 . . . . . . . . 4907 1 309 . 1 1 46 46 CYS HA H 1 4.140 0.01 . 1 . . . . . . . . 4907 1 310 . 1 1 46 46 CYS HB2 H 1 3.460 0.01 . 2 . . . . . . . . 4907 1 311 . 1 1 46 46 CYS HB3 H 1 2.940 0.01 . 2 . . . . . . . . 4907 1 312 . 1 1 47 47 ILE H H 1 8.250 0.01 . 1 . . . . . . . . 4907 1 313 . 1 1 47 47 ILE HA H 1 3.780 0.01 . 1 . . . . . . . . 4907 1 314 . 1 1 47 47 ILE HB H 1 2.160 0.01 . 1 . . . . . . . . 4907 1 315 . 1 1 47 47 ILE HG12 H 1 2.330 0.01 . 2 . . . . . . . . 4907 1 316 . 1 1 47 47 ILE HG13 H 1 2.200 0.01 . 2 . . . . . . . . 4907 1 317 . 1 1 47 47 ILE HG21 H 1 1.300 0.01 . 1 . . . . . . . . 4907 1 318 . 1 1 47 47 ILE HG22 H 1 1.300 0.01 . 1 . . . . . . . . 4907 1 319 . 1 1 47 47 ILE HG23 H 1 1.300 0.01 . 1 . . . . . . . . 4907 1 320 . 1 1 47 47 ILE HD11 H 1 1.240 0.01 . 1 . . . . . . . . 4907 1 321 . 1 1 47 47 ILE HD12 H 1 1.240 0.01 . 1 . . . . . . . . 4907 1 322 . 1 1 47 47 ILE HD13 H 1 1.240 0.01 . 1 . . . . . . . . 4907 1 323 . 1 1 48 48 ILE H H 1 8.470 0.01 . 1 . . . . . . . . 4907 1 324 . 1 1 48 48 ILE HA H 1 3.840 0.01 . 1 . . . . . . . . 4907 1 325 . 1 1 48 48 ILE HB H 1 2.080 0.01 . 1 . . . . . . . . 4907 1 326 . 1 1 48 48 ILE HG12 H 1 2.010 0.01 . 2 . . . . . . . . 4907 1 327 . 1 1 48 48 ILE HG21 H 1 1.300 0.01 . 1 . . . . . . . . 4907 1 328 . 1 1 48 48 ILE HG22 H 1 1.300 0.01 . 1 . . . . . . . . 4907 1 329 . 1 1 48 48 ILE HG23 H 1 1.300 0.01 . 1 . . . . . . . . 4907 1 330 . 1 1 48 48 ILE HD11 H 1 1.020 0.01 . 1 . . . . . . . . 4907 1 331 . 1 1 48 48 ILE HD12 H 1 1.020 0.01 . 1 . . . . . . . . 4907 1 332 . 1 1 48 48 ILE HD13 H 1 1.020 0.01 . 1 . . . . . . . . 4907 1 333 . 1 1 49 49 VAL H H 1 8.320 0.01 . 1 . . . . . . . . 4907 1 334 . 1 1 49 49 VAL HA H 1 3.850 0.01 . 1 . . . . . . . . 4907 1 335 . 1 1 49 49 VAL HB H 1 2.380 0.01 . 1 . . . . . . . . 4907 1 336 . 1 1 49 49 VAL HG11 H 1 1.240 0.01 . 2 . . . . . . . . 4907 1 337 . 1 1 49 49 VAL HG12 H 1 1.240 0.01 . 2 . . . . . . . . 4907 1 338 . 1 1 49 49 VAL HG13 H 1 1.240 0.01 . 2 . . . . . . . . 4907 1 339 . 1 1 49 49 VAL HG21 H 1 1.140 0.01 . 2 . . . . . . . . 4907 1 340 . 1 1 49 49 VAL HG22 H 1 1.140 0.01 . 2 . . . . . . . . 4907 1 341 . 1 1 49 49 VAL HG23 H 1 1.140 0.01 . 2 . . . . . . . . 4907 1 342 . 1 1 50 50 MET H H 1 8.020 0.01 . 1 . . . . . . . . 4907 1 343 . 1 1 50 50 MET HA H 1 4.440 0.01 . 1 . . . . . . . . 4907 1 344 . 1 1 50 50 MET HB2 H 1 2.320 0.01 . 2 . . . . . . . . 4907 1 345 . 1 1 50 50 MET HB3 H 1 2.570 0.01 . 2 . . . . . . . . 4907 1 346 . 1 1 50 50 MET HG2 H 1 2.770 0.01 . 2 . . . . . . . . 4907 1 347 . 1 1 50 50 MET HG3 H 1 2.960 0.01 . 2 . . . . . . . . 4907 1 348 . 1 1 51 51 LEU H H 1 7.840 0.01 . 1 . . . . . . . . 4907 1 349 . 1 1 51 51 LEU HA H 1 4.590 0.01 . 1 . . . . . . . . 4907 1 350 . 1 1 51 51 LEU HB2 H 1 2.060 0.01 . 2 . . . . . . . . 4907 1 351 . 1 1 51 51 LEU HB3 H 1 1.770 0.01 . 2 . . . . . . . . 4907 1 352 . 1 1 51 51 LEU HD21 H 1 1.060 0.01 . 2 . . . . . . . . 4907 1 353 . 1 1 51 51 LEU HD22 H 1 1.060 0.01 . 2 . . . . . . . . 4907 1 354 . 1 1 51 51 LEU HD23 H 1 1.060 0.01 . 2 . . . . . . . . 4907 1 355 . 1 1 52 52 LEU H H 1 8.020 0.01 . 1 . . . . . . . . 4907 1 356 . 1 1 52 52 LEU HA H 1 4.530 0.01 . 1 . . . . . . . . 4907 1 357 . 1 1 52 52 LEU HB2 H 1 2.080 0.01 . 2 . . . . . . . . 4907 1 358 . 1 1 52 52 LEU HG H 1 1.760 0.01 . 1 . . . . . . . . 4907 1 359 . 1 1 52 52 LEU HD21 H 1 1.040 0.01 . 2 . . . . . . . . 4907 1 360 . 1 1 52 52 LEU HD22 H 1 1.040 0.01 . 2 . . . . . . . . 4907 1 361 . 1 1 52 52 LEU HD23 H 1 1.040 0.01 . 2 . . . . . . . . 4907 1 stop_ save_