data_5765 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5765 _Entry.Title ; NMR studies of the fifth transmembrane segment of sarcoplasmic reticulum Ca2+-ATPase reveals a hinge close to the Ca2+ ligating residues ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-04-10 _Entry.Accession_date 2003-04-10 _Entry.Last_release_date 2003-08-08 _Entry.Original_release_date 2003-08-08 _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 Gerd Nielsen . . . 5765 2 Anders Malmendal . . . 5765 3 Axel Meissner . . . 5765 4 Jesper Moller . V. . 5765 5 'Niels Chr.' Nielsen . . . 5765 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5765 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 209 5765 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 . . 2003-08-08 2003-04-10 original author . 5765 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5765 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22666530 _Citation.DOI . _Citation.PubMed_ID 12782289 _Citation.Full_citation . _Citation.Title ; NMR Studies of the Fifth Transmembrane Segment of Sarcoplasmic Reticulum Ca2+-ATPase Reveals a Hinge Close to the Ca2+-Ligating Residues ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 544 _Citation.Journal_issue 1-3 _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 50 _Citation.Page_last 56 _Citation.Year 2003 _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 Gerd Nielsen . . . 5765 1 2 Anders Malmendal . . . 5765 1 3 Axel Meissner . . . 5765 1 4 Jesper Moller . V. . 5765 1 5 'Niels Chr.' Nielsen . . . 5765 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Ca2+-ATPase 5765 1 'fifth transmembrane segment M5' 5765 1 'membrane proteins' 5765 1 micelle 5765 1 NMR 5765 1 'nuclear magnetic resonance' 5765 1 'sarcoplasmic reticulum' 5765 1 SDS 5765 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_M5 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_M5 _Assembly.Entry_ID 5765 _Assembly.ID 1 _Assembly.Name 'fifth transmembrane segment (residue L758 to E785) of sarcoplasmic reticulum Ca2+-ATPase' _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 'not present' _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 5765 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 'M5 segment' 1 $M5 . . . native . . . . . 5765 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 yes PDB 1EUL . . . . . 'The current construct constitutes residue 758 to 785 in this structure.' 5765 1 yes PDB 1IWO . . . . . 'The current construct constitutes residue 758 to 785 in this structure.' 5765 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'fifth transmembrane segment (residue L758 to E785) of sarcoplasmic reticulum Ca2+-ATPase' system 5765 1 M5 abbreviation 5765 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_M5 _Entity.Sf_category entity _Entity.Sf_framecode M5 _Entity.Entry_ID 5765 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'fifth transmembrane segment (residue L758 to E785) of sarcoplasmic reticulum Ca2+-ATPase' _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 ; KQFIRYLISSNVGEVVSIFL TAALGLPE ; _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 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 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 EMBL CDJ05092 . "calcium transporting atpase [Echinococcus multilocularis]" . . . . . 100.00 1067 100.00 100.00 4.88e-08 . . . . 5765 1 2 no EMBL CDS17335 . "calcium transporting atpase [Echinococcus granulosus]" . . . . . 100.00 1067 100.00 100.00 5.07e-08 . . . . 5765 1 3 no EMBL CDS27241 . "calcium transporting atpase [Hymenolepis microstoma]" . . . . . 100.00 1030 100.00 100.00 4.43e-08 . . . . 5765 1 4 no EMBL CDS42374 . "calcium transporting atpase [Echinococcus multilocularis]" . . . . . 100.00 1067 100.00 100.00 4.88e-08 . . . . 5765 1 5 no GB AAB82290 . "sarco/endoplasmic reticulum Ca2+-ATPase [Procambarus clarkii]" . . . . . 100.00 1020 100.00 100.00 4.59e-08 . . . . 5765 1 6 no GB AAB82291 . "sarco/endoplasmic reticulum Ca2+-ATPase [Procambarus clarkii]" . . . . . 100.00 1002 100.00 100.00 4.44e-08 . . . . 5765 1 7 no GB ADY39564 . "putative sarco/endoplasmic reticulum Ca2+ ATPase [Hottentotta judaicus]" . . . . . 100.00 254 100.00 100.00 3.37e-08 . . . . 5765 1 8 no GB EEB19132 . "Sarcoplasmic/endoplasmic reticulum calcium ATPase, putative [Pediculus humanus corporis]" . . . . . 100.00 1020 100.00 100.00 5.67e-08 . . . . 5765 1 9 no GB EUB64292 . "Calcium-transporting ATPase sarcoplasmic/endoplasmic reticulum type [Echinococcus granulosus]" . . . . . 100.00 1008 100.00 100.00 4.32e-08 . . . . 5765 1 10 no REF XP_002431870 . "Sarcoplasmic/endoplasmic reticulum calcium ATPase, putative [Pediculus humanus corporis]" . . . . . 100.00 1020 100.00 100.00 5.67e-08 . . . . 5765 1 11 no REF XP_005432993 . "PREDICTED: vegetative cell wall protein gp1-like [Falco cherrug]" . . . . . 57.14 131 100.00 100.00 8.12e-01 . . . . 5765 1 12 no REF XP_005514464 . "PREDICTED: LOW QUALITY PROTEIN: sarcoplasmic/endoplasmic reticulum calcium ATPase 1-like [Columba livia]" . . . . . 57.14 923 100.00 100.00 1.51e+00 . . . . 5765 1 13 no REF XP_007656573 . "PREDICTED: LOW QUALITY PROTEIN: sarcoplasmic/endoplasmic reticulum calcium ATPase 1-like, partial [Ornithorhynchus anatinus]" . . . . . 57.14 648 100.00 100.00 1.40e+00 . . . . 5765 1 14 no REF XP_007936452 . "PREDICTED: sarcoplasmic/endoplasmic reticulum calcium ATPase 2 [Orycteropus afer afer]" . . . . . 57.14 985 100.00 100.00 2.15e+00 . . . . 5765 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'fifth transmembrane segment (residue L758 to E785) of sarcoplasmic reticulum Ca2+-ATPase' common 5765 1 M5 abbreviation 5765 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 . LYS . 5765 1 2 . GLN . 5765 1 3 . PHE . 5765 1 4 . ILE . 5765 1 5 . ARG . 5765 1 6 . TYR . 5765 1 7 . LEU . 5765 1 8 . ILE . 5765 1 9 . SER . 5765 1 10 . SER . 5765 1 11 . ASN . 5765 1 12 . VAL . 5765 1 13 . GLY . 5765 1 14 . GLU . 5765 1 15 . VAL . 5765 1 16 . VAL . 5765 1 17 . SER . 5765 1 18 . ILE . 5765 1 19 . PHE . 5765 1 20 . LEU . 5765 1 21 . THR . 5765 1 22 . ALA . 5765 1 23 . ALA . 5765 1 24 . LEU . 5765 1 25 . GLY . 5765 1 26 . LEU . 5765 1 27 . PRO . 5765 1 28 . GLU . 5765 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 . LYS 1 1 5765 1 . GLN 2 2 5765 1 . PHE 3 3 5765 1 . ILE 4 4 5765 1 . ARG 5 5 5765 1 . TYR 6 6 5765 1 . LEU 7 7 5765 1 . ILE 8 8 5765 1 . SER 9 9 5765 1 . SER 10 10 5765 1 . ASN 11 11 5765 1 . VAL 12 12 5765 1 . GLY 13 13 5765 1 . GLU 14 14 5765 1 . VAL 15 15 5765 1 . VAL 16 16 5765 1 . SER 17 17 5765 1 . ILE 18 18 5765 1 . PHE 19 19 5765 1 . LEU 20 20 5765 1 . THR 21 21 5765 1 . ALA 22 22 5765 1 . ALA 23 23 5765 1 . LEU 24 24 5765 1 . GLY 25 25 5765 1 . LEU 26 26 5765 1 . PRO 27 27 5765 1 . GLU 28 28 5765 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 5765 _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 $M5 . 9986 organism . 'Oryctolagus cuniculus' rabbit . . Eukaryota Metazoa Oryctolagus cuniculus . . . . . . . . . . . . . . . . . . . . . 5765 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 5765 _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 $M5 . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . 'Fmoc chemistry' . . 5765 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5765 _Sample.ID 1 _Sample.Type micelles _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 'fifth transmembrane segment (residue L758 to E785) of sarcoplasmic reticulum Ca2+-ATPase' . . . 1 $M5 . . 2.4 . . mM . . . . 5765 1 2 SDS-d25 . . . . . . . 400 . . mM . . . . 5765 1 3 NaCl . . . . . . . 100 . . mM . . . . 5765 1 4 'sodium phosphate' . . . . . . . 20 . . mM . . . . 5765 1 5 NaN3 . . . . . . . 1 . . mM . . . . 5765 1 6 D2O . . . . . . . 10 . . % . . . . 5765 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 5765 _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 'ionic strength' 0.12 . M 5765 1 pH 7.0 0.1 n/a 5765 1 temperature 313 1 K 5765 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5765 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model . _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5765 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker . . 600 . . . 5765 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 5765 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_conditions . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5765 1 stop_ 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 5765 _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 water 'methyl protons' . . . . ppm 4.7 internal direct 0.1 internal spherical parallel 1 $entry_citation . . 1 $entry_citation 5765 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 5765 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions _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 . 5765 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 LYS H H 1 8.53 0.02 . 1 . . . . . . . . 5765 1 2 . 1 1 1 1 LYS HA H 1 4.10 0.02 . 1 . . . . . . . . 5765 1 3 . 1 1 1 1 LYS HB2 H 1 2.06 0.02 . 2 . . . . . . . . 5765 1 4 . 1 1 1 1 LYS HB3 H 1 2.05 0.02 . 2 . . . . . . . . 5765 1 5 . 1 1 1 1 LYS HG2 H 1 1.65 0.02 . 1 . . . . . . . . 5765 1 6 . 1 1 1 1 LYS HG3 H 1 1.65 0.02 . 1 . . . . . . . . 5765 1 7 . 1 1 1 1 LYS HD2 H 1 1.98 0.02 . 1 . . . . . . . . 5765 1 8 . 1 1 1 1 LYS HD3 H 1 1.98 0.02 . 1 . . . . . . . . 5765 1 9 . 1 1 1 1 LYS HE2 H 1 3.24 0.02 . 1 . . . . . . . . 5765 1 10 . 1 1 1 1 LYS HE3 H 1 3.24 0.02 . 1 . . . . . . . . 5765 1 11 . 1 1 1 1 LYS HZ1 H 1 7.61 0.02 . 1 . . . . . . . . 5765 1 12 . 1 1 1 1 LYS HZ2 H 1 7.61 0.02 . 1 . . . . . . . . 5765 1 13 . 1 1 1 1 LYS HZ3 H 1 7.61 0.02 . 1 . . . . . . . . 5765 1 14 . 1 1 2 2 GLN H H 1 8.86 0.02 . 1 . . . . . . . . 5765 1 15 . 1 1 2 2 GLN HA H 1 4.32 0.02 . 1 . . . . . . . . 5765 1 16 . 1 1 2 2 GLN HB2 H 1 2.25 0.02 . 2 . . . . . . . . 5765 1 17 . 1 1 2 2 GLN HB3 H 1 2.23 0.02 . 2 . . . . . . . . 5765 1 18 . 1 1 2 2 GLN HG2 H 1 2.40 0.02 . 1 . . . . . . . . 5765 1 19 . 1 1 2 2 GLN HG3 H 1 2.40 0.02 . 1 . . . . . . . . 5765 1 20 . 1 1 2 2 GLN HE21 H 1 7.41 0.02 . 2 . . . . . . . . 5765 1 21 . 1 1 2 2 GLN HE22 H 1 6.95 0.02 . 2 . . . . . . . . 5765 1 22 . 1 1 3 3 PHE H H 1 7.99 0.02 . 1 . . . . . . . . 5765 1 23 . 1 1 3 3 PHE HA H 1 4.69 0.02 . 1 . . . . . . . . 5765 1 24 . 1 1 3 3 PHE HB2 H 1 3.46 0.02 . 2 . . . . . . . . 5765 1 25 . 1 1 3 3 PHE HB3 H 1 3.41 0.02 . 2 . . . . . . . . 5765 1 26 . 1 1 3 3 PHE HD1 H 1 7.43 0.02 . 1 . . . . . . . . 5765 1 27 . 1 1 3 3 PHE HD2 H 1 7.43 0.02 . 1 . . . . . . . . 5765 1 28 . 1 1 3 3 PHE HE1 H 1 7.48 0.02 . 1 . . . . . . . . 5765 1 29 . 1 1 3 3 PHE HE2 H 1 7.48 0.02 . 1 . . . . . . . . 5765 1 30 . 1 1 4 4 ILE H H 1 8.19 0.02 . 1 . . . . . . . . 5765 1 31 . 1 1 4 4 ILE HA H 1 3.87 0.02 . 1 . . . . . . . . 5765 1 32 . 1 1 4 4 ILE HB H 1 2.26 0.02 . 1 . . . . . . . . 5765 1 33 . 1 1 4 4 ILE HG12 H 1 1.56 0.02 . 2 . . . . . . . . 5765 1 34 . 1 1 4 4 ILE HG13 H 1 1.10 0.02 . 2 . . . . . . . . 5765 1 35 . 1 1 4 4 ILE HG21 H 1 1.16 0.02 . 1 . . . . . . . . 5765 1 36 . 1 1 4 4 ILE HG22 H 1 1.16 0.02 . 1 . . . . . . . . 5765 1 37 . 1 1 4 4 ILE HG23 H 1 1.16 0.02 . 1 . . . . . . . . 5765 1 38 . 1 1 4 4 ILE HD11 H 1 1.90 0.02 . 1 . . . . . . . . 5765 1 39 . 1 1 4 4 ILE HD12 H 1 1.90 0.02 . 1 . . . . . . . . 5765 1 40 . 1 1 4 4 ILE HD13 H 1 1.90 0.02 . 1 . . . . . . . . 5765 1 41 . 1 1 5 5 ARG H H 1 8.20 0.02 . 1 . . . . . . . . 5765 1 42 . 1 1 5 5 ARG HA H 1 4.11 0.02 . 1 . . . . . . . . 5765 1 43 . 1 1 5 5 ARG HB2 H 1 2.10 0.02 . 2 . . . . . . . . 5765 1 44 . 1 1 5 5 ARG HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5765 1 45 . 1 1 5 5 ARG HG2 H 1 1.89 0.02 . 1 . . . . . . . . 5765 1 46 . 1 1 5 5 ARG HG3 H 1 1.89 0.02 . 1 . . . . . . . . 5765 1 47 . 1 1 5 5 ARG HD2 H 1 3.39 0.02 . 1 . . . . . . . . 5765 1 48 . 1 1 5 5 ARG HD3 H 1 3.39 0.02 . 1 . . . . . . . . 5765 1 49 . 1 1 5 5 ARG HE H 1 7.25 0.02 . . . . . . . . . . 5765 1 50 . 1 1 5 5 ARG HH11 H 1 7.14 0.02 . 4 . . . . . . . . 5765 1 51 . 1 1 5 5 ARG HH21 H 1 7.14 0.02 . 4 . . . . . . . . 5765 1 52 . 1 1 6 6 TYR H H 1 8.04 0.02 . 1 . . . . . . . . 5765 1 53 . 1 1 6 6 TYR HA H 1 4.44 0.02 . 1 . . . . . . . . 5765 1 54 . 1 1 6 6 TYR HB2 H 1 3.39 0.02 . 1 . . . . . . . . 5765 1 55 . 1 1 6 6 TYR HB3 H 1 3.39 0.02 . 1 . . . . . . . . 5765 1 56 . 1 1 6 6 TYR HD1 H 1 7.25 0.02 . 1 . . . . . . . . 5765 1 57 . 1 1 6 6 TYR HD2 H 1 7.25 0.02 . 1 . . . . . . . . 5765 1 58 . 1 1 6 6 TYR HE1 H 1 7.00 0.02 . 1 . . . . . . . . 5765 1 59 . 1 1 6 6 TYR HE2 H 1 7.00 0.02 . 1 . . . . . . . . 5765 1 60 . 1 1 7 7 LEU H H 1 8.26 0.02 . 1 . . . . . . . . 5765 1 61 . 1 1 7 7 LEU HA H 1 4.05 0.02 . 1 . . . . . . . . 5765 1 62 . 1 1 7 7 LEU HB2 H 1 2.17 0.02 . 2 . . . . . . . . 5765 1 63 . 1 1 7 7 LEU HB3 H 1 2.04 0.02 . 2 . . . . . . . . 5765 1 64 . 1 1 7 7 LEU HG H 1 1.72 0.02 . 1 . . . . . . . . 5765 1 65 . 1 1 7 7 LEU HD11 H 1 1.15 0.02 . 2 . . . . . . . . 5765 1 66 . 1 1 7 7 LEU HD12 H 1 1.15 0.02 . 2 . . . . . . . . 5765 1 67 . 1 1 7 7 LEU HD13 H 1 1.15 0.02 . 2 . . . . . . . . 5765 1 68 . 1 1 7 7 LEU HD21 H 1 1.05 0.02 . 2 . . . . . . . . 5765 1 69 . 1 1 7 7 LEU HD22 H 1 1.05 0.02 . 2 . . . . . . . . 5765 1 70 . 1 1 7 7 LEU HD23 H 1 1.05 0.02 . 2 . . . . . . . . 5765 1 71 . 1 1 8 8 ILE H H 1 8.03 0.02 . 1 . . . . . . . . 5765 1 72 . 1 1 8 8 ILE HA H 1 4.27 0.02 . 1 . . . . . . . . 5765 1 73 . 1 1 8 8 ILE HB H 1 2.42 0.02 . 1 . . . . . . . . 5765 1 74 . 1 1 9 9 SER H H 1 8.07 0.02 . 1 . . . . . . . . 5765 1 75 . 1 1 9 9 SER HA H 1 4.60 0.02 . 1 . . . . . . . . 5765 1 76 . 1 1 9 9 SER HB2 H 1 4.20 0.02 . 2 . . . . . . . . 5765 1 77 . 1 1 9 9 SER HB3 H 1 4.14 0.02 . 2 . . . . . . . . 5765 1 78 . 1 1 10 10 SER H H 1 7.87 0.02 . 1 . . . . . . . . 5765 1 79 . 1 1 10 10 SER HA H 1 4.65 0.02 . 1 . . . . . . . . 5765 1 80 . 1 1 10 10 SER HB2 H 1 4.00 0.02 . 2 . . . . . . . . 5765 1 81 . 1 1 10 10 SER HB3 H 1 4.14 0.02 . 2 . . . . . . . . 5765 1 82 . 1 1 11 11 ASN H H 1 8.39 0.02 . 1 . . . . . . . . 5765 1 83 . 1 1 11 11 ASN HA H 1 5.07 0.02 . 1 . . . . . . . . 5765 1 84 . 1 1 11 11 ASN HB2 H 1 3.15 0.02 . 2 . . . . . . . . 5765 1 85 . 1 1 11 11 ASN HB3 H 1 3.00 0.02 . 2 . . . . . . . . 5765 1 86 . 1 1 11 11 ASN HD21 H 1 7.78 0.02 . 2 . . . . . . . . 5765 1 87 . 1 1 11 11 ASN HD22 H 1 7.03 0.02 . 2 . . . . . . . . 5765 1 88 . 1 1 12 12 VAL H H 1 8.08 0.02 . 1 . . . . . . . . 5765 1 89 . 1 1 12 12 VAL HA H 1 4.36 0.02 . 1 . . . . . . . . 5765 1 90 . 1 1 12 12 VAL HB H 1 2.35 0.02 . 1 . . . . . . . . 5765 1 91 . 1 1 12 12 VAL HG11 H 1 2.56 0.02 . 2 . . . . . . . . 5765 1 92 . 1 1 12 12 VAL HG12 H 1 2.56 0.02 . 2 . . . . . . . . 5765 1 93 . 1 1 12 12 VAL HG13 H 1 2.56 0.02 . 2 . . . . . . . . 5765 1 94 . 1 1 12 12 VAL HG21 H 1 2.51 0.02 . 2 . . . . . . . . 5765 1 95 . 1 1 12 12 VAL HG22 H 1 2.51 0.02 . 2 . . . . . . . . 5765 1 96 . 1 1 12 12 VAL HG23 H 1 2.51 0.02 . 2 . . . . . . . . 5765 1 97 . 1 1 13 13 GLY H H 1 8.51 0.02 . 1 . . . . . . . . 5765 1 98 . 1 1 13 13 GLY HA2 H 1 4.26 0.02 . 2 . . . . . . . . 5765 1 99 . 1 1 13 13 GLY HA3 H 1 3.90 0.02 . 2 . . . . . . . . 5765 1 100 . 1 1 14 14 GLU H H 1 8.14 0.02 . 1 . . . . . . . . 5765 1 101 . 1 1 14 14 GLU HA H 1 4.05 0.02 . 1 . . . . . . . . 5765 1 102 . 1 1 14 14 GLU HB2 H 1 2.36 0.02 . 2 . . . . . . . . 5765 1 103 . 1 1 14 14 GLU HB3 H 1 2.26 0.02 . 2 . . . . . . . . 5765 1 104 . 1 1 14 14 GLU HG2 H 1 1.25 0.02 . 2 . . . . . . . . 5765 1 105 . 1 1 14 14 GLU HG3 H 1 1.15 0.02 . 2 . . . . . . . . 5765 1 106 . 1 1 15 15 VAL H H 1 7.93 0.02 . 1 . . . . . . . . 5765 1 107 . 1 1 15 15 VAL HA H 1 4.00 0.02 . 1 . . . . . . . . 5765 1 108 . 1 1 15 15 VAL HB H 1 2.47 0.02 . 1 . . . . . . . . 5765 1 109 . 1 1 15 15 VAL HG11 H 1 1.32 0.02 . 2 . . . . . . . . 5765 1 110 . 1 1 15 15 VAL HG12 H 1 1.32 0.02 . 2 . . . . . . . . 5765 1 111 . 1 1 15 15 VAL HG13 H 1 1.32 0.02 . 2 . . . . . . . . 5765 1 112 . 1 1 15 15 VAL HG21 H 1 1.21 0.02 . 2 . . . . . . . . 5765 1 113 . 1 1 15 15 VAL HG22 H 1 1.21 0.02 . 2 . . . . . . . . 5765 1 114 . 1 1 15 15 VAL HG23 H 1 1.21 0.02 . 2 . . . . . . . . 5765 1 115 . 1 1 16 16 VAL H H 1 8.39 0.02 . 1 . . . . . . . . 5765 1 116 . 1 1 16 16 VAL HA H 1 3.91 0.02 . 1 . . . . . . . . 5765 1 117 . 1 1 16 16 VAL HB H 1 2.44 0.02 . 1 . . . . . . . . 5765 1 118 . 1 1 16 16 VAL HG11 H 1 1.29 0.02 . 2 . . . . . . . . 5765 1 119 . 1 1 16 16 VAL HG12 H 1 1.29 0.02 . 2 . . . . . . . . 5765 1 120 . 1 1 16 16 VAL HG13 H 1 1.29 0.02 . 2 . . . . . . . . 5765 1 121 . 1 1 16 16 VAL HG21 H 1 1.21 0.02 . 2 . . . . . . . . 5765 1 122 . 1 1 16 16 VAL HG22 H 1 1.21 0.02 . 2 . . . . . . . . 5765 1 123 . 1 1 16 16 VAL HG23 H 1 1.21 0.02 . 2 . . . . . . . . 5765 1 124 . 1 1 17 17 SER H H 1 8.31 0.02 . 1 . . . . . . . . 5765 1 125 . 1 1 17 17 SER HA H 1 4.36 0.02 . 1 . . . . . . . . 5765 1 126 . 1 1 17 17 SER HB2 H 1 4.25 0.02 . 1 . . . . . . . . 5765 1 127 . 1 1 17 17 SER HB3 H 1 4.25 0.02 . 1 . . . . . . . . 5765 1 128 . 1 1 18 18 ILE H H 1 8.19 0.02 . 1 . . . . . . . . 5765 1 129 . 1 1 18 18 ILE HA H 1 4.01 0.02 . 1 . . . . . . . . 5765 1 130 . 1 1 18 18 ILE HB H 1 2.20 0.02 . 1 . . . . . . . . 5765 1 131 . 1 1 18 18 ILE HG12 H 1 1.16 0.02 . 2 . . . . . . . . 5765 1 132 . 1 1 18 18 ILE HG13 H 1 1.09 0.02 . 2 . . . . . . . . 5765 1 133 . 1 1 18 18 ILE HG21 H 1 1.40 0.02 . 1 . . . . . . . . 5765 1 134 . 1 1 18 18 ILE HG22 H 1 1.40 0.02 . 1 . . . . . . . . 5765 1 135 . 1 1 18 18 ILE HG23 H 1 1.40 0.02 . 1 . . . . . . . . 5765 1 136 . 1 1 18 18 ILE HD11 H 1 1.99 0.02 . 1 . . . . . . . . 5765 1 137 . 1 1 18 18 ILE HD12 H 1 1.99 0.02 . 1 . . . . . . . . 5765 1 138 . 1 1 18 18 ILE HD13 H 1 1.99 0.02 . 1 . . . . . . . . 5765 1 139 . 1 1 19 19 PHE H H 1 8.17 0.02 . 1 . . . . . . . . 5765 1 140 . 1 1 19 19 PHE HA H 1 4.52 0.02 . 1 . . . . . . . . 5765 1 141 . 1 1 19 19 PHE HB2 H 1 3.45 0.02 . 2 . . . . . . . . 5765 1 142 . 1 1 19 19 PHE HB3 H 1 3.43 0.02 . 2 . . . . . . . . 5765 1 143 . 1 1 19 19 PHE HD1 H 1 7.43 0.02 . 1 . . . . . . . . 5765 1 144 . 1 1 19 19 PHE HD2 H 1 7.43 0.02 . 1 . . . . . . . . 5765 1 145 . 1 1 19 19 PHE HE1 H 1 7.49 0.02 . 1 . . . . . . . . 5765 1 146 . 1 1 19 19 PHE HE2 H 1 7.49 0.02 . 1 . . . . . . . . 5765 1 147 . 1 1 20 20 LEU H H 1 8.87 0.02 . 1 . . . . . . . . 5765 1 148 . 1 1 20 20 LEU HA H 1 4.19 0.02 . 1 . . . . . . . . 5765 1 149 . 1 1 20 20 LEU HB2 H 1 2.14 0.02 . 1 . . . . . . . . 5765 1 150 . 1 1 20 20 LEU HB3 H 1 2.14 0.02 . 1 . . . . . . . . 5765 1 151 . 1 1 20 20 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 5765 1 152 . 1 1 20 20 LEU HD11 H 1 1.14 0.02 . 1 . . . . . . . . 5765 1 153 . 1 1 20 20 LEU HD12 H 1 1.14 0.02 . 1 . . . . . . . . 5765 1 154 . 1 1 20 20 LEU HD13 H 1 1.14 0.02 . 1 . . . . . . . . 5765 1 155 . 1 1 20 20 LEU HD21 H 1 1.14 0.02 . 1 . . . . . . . . 5765 1 156 . 1 1 20 20 LEU HD22 H 1 1.14 0.02 . 1 . . . . . . . . 5765 1 157 . 1 1 20 20 LEU HD23 H 1 1.14 0.02 . 1 . . . . . . . . 5765 1 158 . 1 1 21 21 THR H H 1 8.26 0.02 . 1 . . . . . . . . 5765 1 159 . 1 1 21 21 THR HA H 1 4.16 0.02 . 1 . . . . . . . . 5765 1 160 . 1 1 21 21 THR HB H 1 4.47 0.02 . 1 . . . . . . . . 5765 1 161 . 1 1 21 21 THR HG21 H 1 1.47 0.02 . 1 . . . . . . . . 5765 1 162 . 1 1 21 21 THR HG22 H 1 1.47 0.02 . 1 . . . . . . . . 5765 1 163 . 1 1 21 21 THR HG23 H 1 1.47 0.02 . 1 . . . . . . . . 5765 1 164 . 1 1 22 22 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 5765 1 165 . 1 1 22 22 ALA HA H 1 4.40 0.02 . 1 . . . . . . . . 5765 1 166 . 1 1 22 22 ALA HB1 H 1 1.67 0.02 . 1 . . . . . . . . 5765 1 167 . 1 1 22 22 ALA HB2 H 1 1.67 0.02 . 1 . . . . . . . . 5765 1 168 . 1 1 22 22 ALA HB3 H 1 1.67 0.02 . 1 . . . . . . . . 5765 1 169 . 1 1 23 23 ALA H H 1 7.92 0.02 . 1 . . . . . . . . 5765 1 170 . 1 1 23 23 ALA HA H 1 4.68 0.02 . 1 . . . . . . . . 5765 1 171 . 1 1 23 23 ALA HB1 H 1 1.88 0.02 . 1 . . . . . . . . 5765 1 172 . 1 1 23 23 ALA HB2 H 1 1.88 0.02 . 1 . . . . . . . . 5765 1 173 . 1 1 23 23 ALA HB3 H 1 1.88 0.02 . 1 . . . . . . . . 5765 1 174 . 1 1 24 24 LEU H H 1 8.39 0.02 . 1 . . . . . . . . 5765 1 175 . 1 1 24 24 LEU HA H 1 4.31 0.02 . 1 . . . . . . . . 5765 1 176 . 1 1 24 24 LEU HB2 H 1 1.44 0.02 . 2 . . . . . . . . 5765 1 177 . 1 1 24 24 LEU HB3 H 1 1.51 0.02 . 2 . . . . . . . . 5765 1 178 . 1 1 24 24 LEU HG H 1 1.79 0.02 . 1 . . . . . . . . 5765 1 179 . 1 1 24 24 LEU HD11 H 1 1.01 0.02 . 1 . . . . . . . . 5765 1 180 . 1 1 24 24 LEU HD12 H 1 1.01 0.02 . 1 . . . . . . . . 5765 1 181 . 1 1 24 24 LEU HD13 H 1 1.01 0.02 . 1 . . . . . . . . 5765 1 182 . 1 1 24 24 LEU HD21 H 1 1.01 0.02 . 1 . . . . . . . . 5765 1 183 . 1 1 24 24 LEU HD22 H 1 1.01 0.02 . 1 . . . . . . . . 5765 1 184 . 1 1 24 24 LEU HD23 H 1 1.01 0.02 . 1 . . . . . . . . 5765 1 185 . 1 1 25 25 GLY H H 1 7.80 0.02 . 1 . . . . . . . . 5765 1 186 . 1 1 25 25 GLY HA2 H 1 4.09 0.02 . 2 . . . . . . . . 5765 1 187 . 1 1 25 25 GLY HA3 H 1 4.21 0.02 . 2 . . . . . . . . 5765 1 188 . 1 1 26 26 LEU H H 1 7.94 0.02 . 1 . . . . . . . . 5765 1 189 . 1 1 26 26 LEU HA H 1 4.53 0.02 . 1 . . . . . . . . 5765 1 190 . 1 1 26 26 LEU HB2 H 1 2.02 0.02 . 2 . . . . . . . . 5765 1 191 . 1 1 26 26 LEU HB3 H 1 1.82 0.02 . 2 . . . . . . . . 5765 1 192 . 1 1 26 26 LEU HG H 1 1.95 0.02 . 1 . . . . . . . . 5765 1 193 . 1 1 26 26 LEU HD11 H 1 1.10 0.02 . 1 . . . . . . . . 5765 1 194 . 1 1 26 26 LEU HD12 H 1 1.10 0.02 . 1 . . . . . . . . 5765 1 195 . 1 1 26 26 LEU HD13 H 1 1.10 0.02 . 1 . . . . . . . . 5765 1 196 . 1 1 26 26 LEU HD21 H 1 1.10 0.02 . 1 . . . . . . . . 5765 1 197 . 1 1 26 26 LEU HD22 H 1 1.10 0.02 . 1 . . . . . . . . 5765 1 198 . 1 1 26 26 LEU HD23 H 1 1.10 0.02 . 1 . . . . . . . . 5765 1 199 . 1 1 27 27 PRO HA H 1 4.61 0.02 . 1 . . . . . . . . 5765 1 200 . 1 1 27 27 PRO HB2 H 1 2.52 0.02 . 2 . . . . . . . . 5765 1 201 . 1 1 27 27 PRO HB3 H 1 2.13 0.02 . 2 . . . . . . . . 5765 1 202 . 1 1 27 27 PRO HG2 H 1 2.21 0.02 . 2 . . . . . . . . 5765 1 203 . 1 1 27 27 PRO HG3 H 1 2.20 0.02 . 2 . . . . . . . . 5765 1 204 . 1 1 27 27 PRO HD2 H 1 3.84 0.02 . 2 . . . . . . . . 5765 1 205 . 1 1 27 27 PRO HD3 H 1 3.65 0.02 . 2 . . . . . . . . 5765 1 206 . 1 1 28 28 GLU H H 1 8.35 0.02 . 1 . . . . . . . . 5765 1 207 . 1 1 28 28 GLU HA H 1 4.40 0.02 . 2 . . . . . . . . 5765 1 208 . 1 1 28 28 GLU HB2 H 1 2.41 0.02 . 2 . . . . . . . . 5765 1 209 . 1 1 28 28 GLU HB3 H 1 1.85 0.02 . 2 . . . . . . . . 5765 1 stop_ save_