data_3427 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 3427 _Entry.Title ; NMR Solution Structure of Human Parathyroid Hormone(1-34) ; _Entry.Type macromolecule _Entry.Version_type update _Entry.Submission_date 1995-07-31 _Entry.Accession_date 1996-04-13 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination BMRB _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Julian Barden . A. . 3427 2 Bruce Kemp . E. . 3427 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 3427 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 274 3427 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 5 . . 2010-06-17 . revision BMRB 'Complete natural source information' 3427 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 3427 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 3427 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 3427 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 3427 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 3427 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Barden, Julian A., Kemp, Bruce E., "NMR Solution Structure of Human Parathyroid Hormone(1-34)," Biochem. J. 32 (28), 7126-7132 (1993). ; _Citation.Title 'NMR Solution Structure of Human Parathyroid Hormone(1-34)' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochem. J.' _Citation.Journal_name_full . _Citation.Journal_volume 32 _Citation.Journal_issue 28 _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 7126 _Citation.Page_last 7132 _Citation.Year 1993 _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 Julian Barden . A. . 3427 1 2 Bruce Kemp . E. . 3427 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_parathyroid-hormone-related_protein _Assembly.Sf_category assembly _Assembly.Sf_framecode system_parathyroid-hormone-related_protein _Assembly.Entry_ID 3427 _Assembly.ID 1 _Assembly.Name 'parathyroid-hormone-related protein' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic . _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'parathyroid-hormone-related protein' 1 $parathyroid-hormone-related_protein . . . . . . . . . 3427 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'parathyroid-hormone-related protein' system 3427 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_parathyroid-hormone-related_protein _Entity.Sf_category entity _Entity.Sf_framecode parathyroid-hormone-related_protein _Entity.Entry_ID 3427 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'parathyroid-hormone-related protein' _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 ; SVSEIQLMHNLGKHLNSMER VEWLRKKLQDVHNF ; _Entity.Polymer_seq_one_letter_code ; SVSEIQLMHNLGKHLNSMER VEWLRKKLQDVHNF ; _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 34 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 1666 . "parathyroid-hormone-related protein" . . . . . 100.00 34 100.00 100.00 1.74e-14 . . . . 3427 1 2 no BMRB 3449 . "parathyroid-hormone-related protein" . . . . . 100.00 34 100.00 100.00 1.74e-14 . . . . 3427 1 3 no PDB 1BWX . "The Solution Structure Of Human Parathyroid Hormone Fragment 1-39, Nmr, 10 Structures" . . . . . 100.00 39 100.00 100.00 1.04e-14 . . . . 3427 1 4 no PDB 1ET1 . "Crystal Structure Of Human Parathyroid Hormone 1-34 At 0.9 A Resolution" . . . . . 100.00 34 100.00 100.00 1.74e-14 . . . . 3427 1 5 no PDB 1FVY . "Solution Structure Of The Osteogenic 1-31 Fragment Of The Human Parathyroid Hormone" . . . . . 91.18 31 100.00 100.00 8.75e-12 . . . . 3427 1 6 no PDB 1HPH . "Structure Of Human Parathyroid Hormone 1-37 In Solution" . . . . . 100.00 37 100.00 100.00 1.32e-14 . . . . 3427 1 7 no PDB 1HPY . "The Solution Structure Of Human Parathyroid Hormone Fragment 1-34 In 20% Trifluorethanol, Nmr, 10 Structures" . . . . . 100.00 34 100.00 100.00 1.74e-14 . . . . 3427 1 8 no PDB 1ZWA . "Structure Of Human Parathyroid Hormone Fragment 1-34, Nmr, 10 Structures" . . . . . 100.00 34 100.00 100.00 1.74e-14 . . . . 3427 1 9 no PDB 1ZWB . "Structure Of Human Parathyroid Hormone Fragment 2-37, Nmr, 10 Structures" . . . . . 97.06 36 100.00 100.00 6.00e-14 . . . . 3427 1 10 no PDB 1ZWD . "Structure Of Human Parathyroid Hormone Fragment 3-37, Nmr, 10 Structures" . . . . . 94.12 35 100.00 100.00 2.82e-13 . . . . 3427 1 11 no PDB 1ZWE . "Structure Of Human Parathyroid Hormone Fragment 4-37, Nmr, 10 Structures" . . . . . 91.18 34 100.00 100.00 1.34e-12 . . . . 3427 1 12 no PDB 1ZWF . "Structure Of N-Terminal Acetylated Human Parathyroid Hormone, Nmr, 10 Structures" . . . . . 91.18 35 100.00 100.00 1.35e-12 . . . . 3427 1 13 no PDB 1ZWG . "Succinyl Human Parathyroid Hormone 4-37, Nmr, 10 Structures" . . . . . 91.18 35 100.00 100.00 1.35e-12 . . . . 3427 1 14 no PDB 2L1X . "The Solution Structure Of Human Parathyroid Hormone-Related Protein" . . . . . 100.00 39 97.06 97.06 5.74e-14 . . . . 3427 1 15 no PDB 3C4M . "Structure Of Human Parathyroid Hormone In Complex With The Extracellular Domain Of Its G-Protein-Coupled Receptor (Pth1r)" . . . . . 58.82 21 100.00 100.00 2.86e-04 . . . . 3427 1 16 no DBJ BAG74163 . "parathyroid hormone [synthetic construct]" . . . . . 100.00 115 100.00 100.00 5.29e-15 . . . . 3427 1 17 no EMBL CAA23843 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 115 100.00 100.00 5.29e-15 . . . . 3427 1 18 no GB AAA60215 . "preproparathyroid hormone [Homo sapiens]" . . . . . 100.00 115 100.00 100.00 5.29e-15 . . . . 3427 1 19 no GB AAA72765 . "parathyroid hormone [synthetic construct]" . . . . . 50.00 67 100.00 100.00 7.70e-03 . . . . 3427 1 20 no GB AAA73011 . "parathyroid hormone [synthetic construct]" . . . . . 100.00 85 100.00 100.00 5.12e-15 . . . . 3427 1 21 no GB AAB31748 . "human parathyroid hormone [synthetic construct]" . . . . . 100.00 85 100.00 100.00 5.12e-15 . . . . 3427 1 22 no GB AAD42777 . "parathyroid hormone precursor [Macaca fascicularis]" . . . . . 100.00 115 100.00 100.00 4.96e-15 . . . . 3427 1 23 no REF NP_000306 . "parathyroid hormone isoform 1 preproprotein [Homo sapiens]" . . . . . 100.00 115 100.00 100.00 5.29e-15 . . . . 3427 1 24 no REF NP_001075386 . "parathyroid hormone precursor [Equus caballus]" . . . . . 100.00 115 97.06 100.00 5.25e-14 . . . . 3427 1 25 no REF NP_001303281 . "parathyroid hormone isoform 2 [Homo sapiens]" . . . . . 100.00 147 100.00 100.00 7.82e-15 . . . . 3427 1 26 no REF XP_001094024 . "PREDICTED: parathyroid hormone [Macaca mulatta]" . . . . . 100.00 115 100.00 100.00 4.96e-15 . . . . 3427 1 27 no REF XP_001171819 . "PREDICTED: parathyroid hormone [Pan troglodytes]" . . . . . 100.00 115 100.00 100.00 5.29e-15 . . . . 3427 1 28 no SP P01270 . "RecName: Full=Parathyroid hormone; Short=PTH; AltName: Full=Parathormone; AltName: Full=Parathyrin; Flags: Precursor" . . . . . 100.00 115 100.00 100.00 5.29e-15 . . . . 3427 1 29 no SP Q27IM2 . "RecName: Full=Parathyroid hormone; Short=PTH; AltName: Full=Parathyrin; Flags: Precursor" . . . . . 100.00 115 97.06 100.00 5.25e-14 . . . . 3427 1 30 no SP Q9XT35 . "RecName: Full=Parathyroid hormone; Short=PTH; AltName: Full=Parathyrin; Flags: Precursor" . . . . . 100.00 115 100.00 100.00 4.96e-15 . . . . 3427 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'parathyroid-hormone-related protein' common 3427 1 'residues 1-34' variant 3427 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 . SER . 3427 1 2 . VAL . 3427 1 3 . SER . 3427 1 4 . GLU . 3427 1 5 . ILE . 3427 1 6 . GLN . 3427 1 7 . LEU . 3427 1 8 . MET . 3427 1 9 . HIS . 3427 1 10 . ASN . 3427 1 11 . LEU . 3427 1 12 . GLY . 3427 1 13 . LYS . 3427 1 14 . HIS . 3427 1 15 . LEU . 3427 1 16 . ASN . 3427 1 17 . SER . 3427 1 18 . MET . 3427 1 19 . GLU . 3427 1 20 . ARG . 3427 1 21 . VAL . 3427 1 22 . GLU . 3427 1 23 . TRP . 3427 1 24 . LEU . 3427 1 25 . ARG . 3427 1 26 . LYS . 3427 1 27 . LYS . 3427 1 28 . LEU . 3427 1 29 . GLN . 3427 1 30 . ASP . 3427 1 31 . VAL . 3427 1 32 . HIS . 3427 1 33 . ASN . 3427 1 34 . PHE . 3427 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 . SER 1 1 3427 1 . VAL 2 2 3427 1 . SER 3 3 3427 1 . GLU 4 4 3427 1 . ILE 5 5 3427 1 . GLN 6 6 3427 1 . LEU 7 7 3427 1 . MET 8 8 3427 1 . HIS 9 9 3427 1 . ASN 10 10 3427 1 . LEU 11 11 3427 1 . GLY 12 12 3427 1 . LYS 13 13 3427 1 . HIS 14 14 3427 1 . LEU 15 15 3427 1 . ASN 16 16 3427 1 . SER 17 17 3427 1 . MET 18 18 3427 1 . GLU 19 19 3427 1 . ARG 20 20 3427 1 . VAL 21 21 3427 1 . GLU 22 22 3427 1 . TRP 23 23 3427 1 . LEU 24 24 3427 1 . ARG 25 25 3427 1 . LYS 26 26 3427 1 . LYS 27 27 3427 1 . LEU 28 28 3427 1 . GLN 29 29 3427 1 . ASP 30 30 3427 1 . VAL 31 31 3427 1 . HIS 32 32 3427 1 . ASN 33 33 3427 1 . PHE 34 34 3427 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 3427 _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 $parathyroid-hormone-related_protein . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 3427 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 3427 _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 $parathyroid-hormone-related_protein . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3427 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 3427 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_condition_set_one _Sample_condition_list.Entry_ID 3427 _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 4.1 . na 3427 1 temperature 300 . K 3427 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 3427 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 3427 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . 0 'spectrometer information not available' . . 3427 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 3427 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 . . . . . . . . . . . . 1 $sample_one . . . 1 $sample_condition_set_one . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 3427 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_par_set_one _Chem_shift_reference.Entry_ID 3427 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details 'The chemical shift reference is not available at this time.' 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 . . . . . . . . . . . . . . . . 1 $entry_citation . . 1 $entry_citation 3427 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_assignment_data_set_one _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one' _Assigned_chem_shift_list.Entry_ID 3427 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_one . 3427 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 SER HA H 1 4.21 . . 1 . . . . . . . . 3427 1 2 . 1 1 1 1 SER HB2 H 1 3.99 . . 1 . . . . . . . . 3427 1 3 . 1 1 1 1 SER HB3 H 1 3.99 . . 1 . . . . . . . . 3427 1 4 . 1 1 2 2 VAL H H 1 8.58 . . 1 . . . . . . . . 3427 1 5 . 1 1 2 2 VAL HA H 1 4.23 . . 1 . . . . . . . . 3427 1 6 . 1 1 2 2 VAL HB H 1 2.09 . . 1 . . . . . . . . 3427 1 7 . 1 1 2 2 VAL HG11 H 1 .96 . . 1 . . . . . . . . 3427 1 8 . 1 1 2 2 VAL HG12 H 1 .96 . . 1 . . . . . . . . 3427 1 9 . 1 1 2 2 VAL HG13 H 1 .96 . . 1 . . . . . . . . 3427 1 10 . 1 1 2 2 VAL HG21 H 1 .96 . . 1 . . . . . . . . 3427 1 11 . 1 1 2 2 VAL HG22 H 1 .96 . . 1 . . . . . . . . 3427 1 12 . 1 1 2 2 VAL HG23 H 1 .96 . . 1 . . . . . . . . 3427 1 13 . 1 1 3 3 SER H H 1 8.43 . . 1 . . . . . . . . 3427 1 14 . 1 1 3 3 SER HA H 1 4.47 . . 1 . . . . . . . . 3427 1 15 . 1 1 3 3 SER HB2 H 1 3.94 . . 2 . . . . . . . . 3427 1 16 . 1 1 3 3 SER HB3 H 1 3.87 . . 2 . . . . . . . . 3427 1 17 . 1 1 4 4 GLU H H 1 8.47 . . 1 . . . . . . . . 3427 1 18 . 1 1 4 4 GLU HA H 1 4.29 . . 1 . . . . . . . . 3427 1 19 . 1 1 4 4 GLU HB2 H 1 2.08 . . 2 . . . . . . . . 3427 1 20 . 1 1 4 4 GLU HB3 H 1 2.02 . . 2 . . . . . . . . 3427 1 21 . 1 1 4 4 GLU HG2 H 1 2.41 . . 1 . . . . . . . . 3427 1 22 . 1 1 4 4 GLU HG3 H 1 2.41 . . 1 . . . . . . . . 3427 1 23 . 1 1 5 5 ILE H H 1 8.02 . . 1 . . . . . . . . 3427 1 24 . 1 1 5 5 ILE HA H 1 4.01 . . 1 . . . . . . . . 3427 1 25 . 1 1 5 5 ILE HB H 1 1.82 . . 1 . . . . . . . . 3427 1 26 . 1 1 5 5 ILE HG12 H 1 1.47 . . 2 . . . . . . . . 3427 1 27 . 1 1 5 5 ILE HG13 H 1 1.21 . . 2 . . . . . . . . 3427 1 28 . 1 1 5 5 ILE HG21 H 1 .88 . . 1 . . . . . . . . 3427 1 29 . 1 1 5 5 ILE HG22 H 1 .88 . . 1 . . . . . . . . 3427 1 30 . 1 1 5 5 ILE HG23 H 1 .88 . . 1 . . . . . . . . 3427 1 31 . 1 1 5 5 ILE HD11 H 1 .88 . . 1 . . . . . . . . 3427 1 32 . 1 1 5 5 ILE HD12 H 1 .88 . . 1 . . . . . . . . 3427 1 33 . 1 1 5 5 ILE HD13 H 1 .88 . . 1 . . . . . . . . 3427 1 34 . 1 1 6 6 GLN H H 1 8.16 . . 1 . . . . . . . . 3427 1 35 . 1 1 6 6 GLN HA H 1 4.23 . . 1 . . . . . . . . 3427 1 36 . 1 1 6 6 GLN HB2 H 1 2.06 . . 2 . . . . . . . . 3427 1 37 . 1 1 6 6 GLN HB3 H 1 2.04 . . 2 . . . . . . . . 3427 1 38 . 1 1 6 6 GLN HG2 H 1 2.36 . . 1 . . . . . . . . 3427 1 39 . 1 1 6 6 GLN HG3 H 1 2.36 . . 1 . . . . . . . . 3427 1 40 . 1 1 6 6 GLN HE21 H 1 7.46 . . 2 . . . . . . . . 3427 1 41 . 1 1 6 6 GLN HE22 H 1 6.86 . . 2 . . . . . . . . 3427 1 42 . 1 1 7 7 LEU H H 1 8.1 . . 1 . . . . . . . . 3427 1 43 . 1 1 7 7 LEU HA H 1 4.25 . . 1 . . . . . . . . 3427 1 44 . 1 1 7 7 LEU HB2 H 1 1.67 . . 2 . . . . . . . . 3427 1 45 . 1 1 7 7 LEU HB3 H 1 1.65 . . 2 . . . . . . . . 3427 1 46 . 1 1 7 7 LEU HG H 1 1.58 . . 1 . . . . . . . . 3427 1 47 . 1 1 7 7 LEU HD11 H 1 .89 . . 2 . . . . . . . . 3427 1 48 . 1 1 7 7 LEU HD12 H 1 .89 . . 2 . . . . . . . . 3427 1 49 . 1 1 7 7 LEU HD13 H 1 .89 . . 2 . . . . . . . . 3427 1 50 . 1 1 7 7 LEU HD21 H 1 .85 . . 2 . . . . . . . . 3427 1 51 . 1 1 7 7 LEU HD22 H 1 .85 . . 2 . . . . . . . . 3427 1 52 . 1 1 7 7 LEU HD23 H 1 .85 . . 2 . . . . . . . . 3427 1 53 . 1 1 8 8 MET H H 1 8.12 . . 1 . . . . . . . . 3427 1 54 . 1 1 8 8 MET HA H 1 4.35 . . 1 . . . . . . . . 3427 1 55 . 1 1 8 8 MET HB2 H 1 2.02 . . 1 . . . . . . . . 3427 1 56 . 1 1 8 8 MET HB3 H 1 2.02 . . 1 . . . . . . . . 3427 1 57 . 1 1 8 8 MET HG2 H 1 2.61 . . 2 . . . . . . . . 3427 1 58 . 1 1 8 8 MET HG3 H 1 2.51 . . 2 . . . . . . . . 3427 1 59 . 1 1 8 8 MET HE1 H 1 2.03 . . 1 . . . . . . . . 3427 1 60 . 1 1 8 8 MET HE2 H 1 2.03 . . 1 . . . . . . . . 3427 1 61 . 1 1 8 8 MET HE3 H 1 2.03 . . 1 . . . . . . . . 3427 1 62 . 1 1 9 9 HIS H H 1 8.31 . . 1 . . . . . . . . 3427 1 63 . 1 1 9 9 HIS HA H 1 4.64 . . 1 . . . . . . . . 3427 1 64 . 1 1 9 9 HIS HB2 H 1 3.3 . . 2 . . . . . . . . 3427 1 65 . 1 1 9 9 HIS HB3 H 1 3.2 . . 2 . . . . . . . . 3427 1 66 . 1 1 9 9 HIS HD2 H 1 7.3 . . 1 . . . . . . . . 3427 1 67 . 1 1 9 9 HIS HE1 H 1 8.6 . . 1 . . . . . . . . 3427 1 68 . 1 1 10 10 ASN H H 1 8.41 . . 1 . . . . . . . . 3427 1 69 . 1 1 10 10 ASN HA H 1 4.66 . . 1 . . . . . . . . 3427 1 70 . 1 1 10 10 ASN HB2 H 1 2.85 . . 2 . . . . . . . . 3427 1 71 . 1 1 10 10 ASN HB3 H 1 2.81 . . 2 . . . . . . . . 3427 1 72 . 1 1 10 10 ASN HD21 H 1 7.54 . . 2 . . . . . . . . 3427 1 73 . 1 1 10 10 ASN HD22 H 1 6.84 . . 2 . . . . . . . . 3427 1 74 . 1 1 11 11 LEU H H 1 8.19 . . 1 . . . . . . . . 3427 1 75 . 1 1 11 11 LEU HA H 1 4.3 . . 1 . . . . . . . . 3427 1 76 . 1 1 11 11 LEU HB2 H 1 1.68 . . 1 . . . . . . . . 3427 1 77 . 1 1 11 11 LEU HB3 H 1 1.68 . . 1 . . . . . . . . 3427 1 78 . 1 1 11 11 LEU HG H 1 1.61 . . 1 . . . . . . . . 3427 1 79 . 1 1 11 11 LEU HD11 H 1 .9 . . 2 . . . . . . . . 3427 1 80 . 1 1 11 11 LEU HD12 H 1 .9 . . 2 . . . . . . . . 3427 1 81 . 1 1 11 11 LEU HD13 H 1 .9 . . 2 . . . . . . . . 3427 1 82 . 1 1 11 11 LEU HD21 H 1 .85 . . 2 . . . . . . . . 3427 1 83 . 1 1 11 11 LEU HD22 H 1 .85 . . 2 . . . . . . . . 3427 1 84 . 1 1 11 11 LEU HD23 H 1 .85 . . 2 . . . . . . . . 3427 1 85 . 1 1 12 12 GLY H H 1 8.27 . . 1 . . . . . . . . 3427 1 86 . 1 1 12 12 GLY HA2 H 1 3.88 . . 1 . . . . . . . . 3427 1 87 . 1 1 12 12 GLY HA3 H 1 3.88 . . 1 . . . . . . . . 3427 1 88 . 1 1 13 13 LYS H H 1 7.98 . . 1 . . . . . . . . 3427 1 89 . 1 1 13 13 LYS HA H 1 4.24 . . 1 . . . . . . . . 3427 1 90 . 1 1 13 13 LYS HB2 H 1 1.71 . . 1 . . . . . . . . 3427 1 91 . 1 1 13 13 LYS HB3 H 1 1.71 . . 1 . . . . . . . . 3427 1 92 . 1 1 13 13 LYS HG2 H 1 1.37 . . 2 . . . . . . . . 3427 1 93 . 1 1 13 13 LYS HG3 H 1 1.33 . . 2 . . . . . . . . 3427 1 94 . 1 1 13 13 LYS HD2 H 1 1.64 . . 1 . . . . . . . . 3427 1 95 . 1 1 13 13 LYS HD3 H 1 1.64 . . 1 . . . . . . . . 3427 1 96 . 1 1 13 13 LYS HE2 H 1 2.96 . . 1 . . . . . . . . 3427 1 97 . 1 1 13 13 LYS HE3 H 1 2.96 . . 1 . . . . . . . . 3427 1 98 . 1 1 13 13 LYS HZ1 H 1 7.55 . . 1 . . . . . . . . 3427 1 99 . 1 1 13 13 LYS HZ2 H 1 7.55 . . 1 . . . . . . . . 3427 1 100 . 1 1 13 13 LYS HZ3 H 1 7.55 . . 1 . . . . . . . . 3427 1 101 . 1 1 14 14 HIS H H 1 8.49 . . 1 . . . . . . . . 3427 1 102 . 1 1 14 14 HIS HA H 1 4.68 . . 1 . . . . . . . . 3427 1 103 . 1 1 14 14 HIS HB2 H 1 3.26 . . 2 . . . . . . . . 3427 1 104 . 1 1 14 14 HIS HB3 H 1 3.16 . . 2 . . . . . . . . 3427 1 105 . 1 1 14 14 HIS HD2 H 1 7.27 . . 1 . . . . . . . . 3427 1 106 . 1 1 14 14 HIS HE1 H 1 8.58 . . 1 . . . . . . . . 3427 1 107 . 1 1 15 15 LEU H H 1 8.49 . . 1 . . . . . . . . 3427 1 108 . 1 1 15 15 LEU HA H 1 4.36 . . 1 . . . . . . . . 3427 1 109 . 1 1 15 15 LEU HB2 H 1 1.6 . . 2 . . . . . . . . 3427 1 110 . 1 1 15 15 LEU HB3 H 1 1.55 . . 2 . . . . . . . . 3427 1 111 . 1 1 15 15 LEU HG H 1 1.53 . . 1 . . . . . . . . 3427 1 112 . 1 1 15 15 LEU HD11 H 1 .83 . . 2 . . . . . . . . 3427 1 113 . 1 1 15 15 LEU HD12 H 1 .83 . . 2 . . . . . . . . 3427 1 114 . 1 1 15 15 LEU HD13 H 1 .83 . . 2 . . . . . . . . 3427 1 115 . 1 1 15 15 LEU HD21 H 1 .81 . . 2 . . . . . . . . 3427 1 116 . 1 1 15 15 LEU HD22 H 1 .81 . . 2 . . . . . . . . 3427 1 117 . 1 1 15 15 LEU HD23 H 1 .81 . . 2 . . . . . . . . 3427 1 118 . 1 1 16 16 ASN H H 1 8.23 . . 1 . . . . . . . . 3427 1 119 . 1 1 16 16 ASN HA H 1 4.7 . . 1 . . . . . . . . 3427 1 120 . 1 1 16 16 ASN HB2 H 1 2.88 . . 2 . . . . . . . . 3427 1 121 . 1 1 16 16 ASN HB3 H 1 2.84 . . 2 . . . . . . . . 3427 1 122 . 1 1 16 16 ASN HD21 H 1 7.58 . . 2 . . . . . . . . 3427 1 123 . 1 1 16 16 ASN HD22 H 1 6.92 . . 2 . . . . . . . . 3427 1 124 . 1 1 17 17 SER H H 1 8.52 . . 1 . . . . . . . . 3427 1 125 . 1 1 17 17 SER HA H 1 4.32 . . 1 . . . . . . . . 3427 1 126 . 1 1 17 17 SER HB2 H 1 3.93 . . 2 . . . . . . . . 3427 1 127 . 1 1 17 17 SER HB3 H 1 3.89 . . 2 . . . . . . . . 3427 1 128 . 1 1 18 18 MET H H 1 8.29 . . 1 . . . . . . . . 3427 1 129 . 1 1 18 18 MET HA H 1 4.43 . . 1 . . . . . . . . 3427 1 130 . 1 1 18 18 MET HB2 H 1 2.1 . . 2 . . . . . . . . 3427 1 131 . 1 1 18 18 MET HB3 H 1 2.08 . . 2 . . . . . . . . 3427 1 132 . 1 1 18 18 MET HG2 H 1 2.62 . . 2 . . . . . . . . 3427 1 133 . 1 1 18 18 MET HG3 H 1 2.54 . . 2 . . . . . . . . 3427 1 134 . 1 1 18 18 MET HE1 H 1 2.05 . . 1 . . . . . . . . 3427 1 135 . 1 1 18 18 MET HE2 H 1 2.05 . . 1 . . . . . . . . 3427 1 136 . 1 1 18 18 MET HE3 H 1 2.05 . . 1 . . . . . . . . 3427 1 137 . 1 1 19 19 GLU H H 1 8.26 . . 1 . . . . . . . . 3427 1 138 . 1 1 19 19 GLU HA H 1 4.21 . . 1 . . . . . . . . 3427 1 139 . 1 1 19 19 GLU HB2 H 1 2.05 . . 2 . . . . . . . . 3427 1 140 . 1 1 19 19 GLU HB3 H 1 2.03 . . 2 . . . . . . . . 3427 1 141 . 1 1 19 19 GLU HG2 H 1 2.44 . . 2 . . . . . . . . 3427 1 142 . 1 1 19 19 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 3427 1 143 . 1 1 20 20 ARG H H 1 8.2 . . 1 . . . . . . . . 3427 1 144 . 1 1 20 20 ARG HA H 1 4.2 . . 1 . . . . . . . . 3427 1 145 . 1 1 20 20 ARG HB2 H 1 1.88 . . 2 . . . . . . . . 3427 1 146 . 1 1 20 20 ARG HB3 H 1 1.79 . . 2 . . . . . . . . 3427 1 147 . 1 1 20 20 ARG HG2 H 1 1.65 . . 2 . . . . . . . . 3427 1 148 . 1 1 20 20 ARG HG3 H 1 1.58 . . 2 . . . . . . . . 3427 1 149 . 1 1 20 20 ARG HD2 H 1 3.16 . . 1 . . . . . . . . 3427 1 150 . 1 1 20 20 ARG HD3 H 1 3.16 . . 1 . . . . . . . . 3427 1 151 . 1 1 20 20 ARG HE H 1 7.19 . . 1 . . . . . . . . 3427 1 152 . 1 1 21 21 VAL H H 1 7.93 . . 1 . . . . . . . . 3427 1 153 . 1 1 21 21 VAL HA H 1 3.89 . . 1 . . . . . . . . 3427 1 154 . 1 1 21 21 VAL HB H 1 2.08 . . 1 . . . . . . . . 3427 1 155 . 1 1 21 21 VAL HG11 H 1 .98 . . 2 . . . . . . . . 3427 1 156 . 1 1 21 21 VAL HG12 H 1 .98 . . 2 . . . . . . . . 3427 1 157 . 1 1 21 21 VAL HG13 H 1 .98 . . 2 . . . . . . . . 3427 1 158 . 1 1 21 21 VAL HG21 H 1 .87 . . 2 . . . . . . . . 3427 1 159 . 1 1 21 21 VAL HG22 H 1 .87 . . 2 . . . . . . . . 3427 1 160 . 1 1 21 21 VAL HG23 H 1 .87 . . 2 . . . . . . . . 3427 1 161 . 1 1 22 22 GLU H H 1 8.2 . . 1 . . . . . . . . 3427 1 162 . 1 1 22 22 GLU HA H 1 4.17 . . 1 . . . . . . . . 3427 1 163 . 1 1 22 22 GLU HB2 H 1 2.05 . . 1 . . . . . . . . 3427 1 164 . 1 1 22 22 GLU HB3 H 1 2.05 . . 1 . . . . . . . . 3427 1 165 . 1 1 22 22 GLU HG2 H 1 2.36 . . 1 . . . . . . . . 3427 1 166 . 1 1 22 22 GLU HG3 H 1 2.36 . . 1 . . . . . . . . 3427 1 167 . 1 1 23 23 TRP H H 1 8.08 . . 1 . . . . . . . . 3427 1 168 . 1 1 23 23 TRP HA H 1 4.49 . . 1 . . . . . . . . 3427 1 169 . 1 1 23 23 TRP HB2 H 1 3.38 . . 2 . . . . . . . . 3427 1 170 . 1 1 23 23 TRP HB3 H 1 3.32 . . 2 . . . . . . . . 3427 1 171 . 1 1 23 23 TRP HD1 H 1 7.23 . . 1 . . . . . . . . 3427 1 172 . 1 1 23 23 TRP HE1 H 1 10.14 . . 1 . . . . . . . . 3427 1 173 . 1 1 23 23 TRP HE3 H 1 7.57 . . 1 . . . . . . . . 3427 1 174 . 1 1 23 23 TRP HZ2 H 1 7.49 . . 1 . . . . . . . . 3427 1 175 . 1 1 23 23 TRP HZ3 H 1 7.11 . . 1 . . . . . . . . 3427 1 176 . 1 1 23 23 TRP HH2 H 1 7.19 . . 1 . . . . . . . . 3427 1 177 . 1 1 24 24 LEU H H 1 8 . . 1 . . . . . . . . 3427 1 178 . 1 1 24 24 LEU HA H 1 4.05 . . 1 . . . . . . . . 3427 1 179 . 1 1 24 24 LEU HB2 H 1 1.66 . . 1 . . . . . . . . 3427 1 180 . 1 1 24 24 LEU HB3 H 1 1.66 . . 1 . . . . . . . . 3427 1 181 . 1 1 24 24 LEU HG H 1 1.56 . . 1 . . . . . . . . 3427 1 182 . 1 1 24 24 LEU HD11 H 1 .9 . . 2 . . . . . . . . 3427 1 183 . 1 1 24 24 LEU HD12 H 1 .9 . . 2 . . . . . . . . 3427 1 184 . 1 1 24 24 LEU HD13 H 1 .9 . . 2 . . . . . . . . 3427 1 185 . 1 1 24 24 LEU HD21 H 1 .85 . . 2 . . . . . . . . 3427 1 186 . 1 1 24 24 LEU HD22 H 1 .85 . . 2 . . . . . . . . 3427 1 187 . 1 1 24 24 LEU HD23 H 1 .85 . . 2 . . . . . . . . 3427 1 188 . 1 1 25 25 ARG H H 1 7.97 . . 1 . . . . . . . . 3427 1 189 . 1 1 25 25 ARG HA H 1 4.11 . . 1 . . . . . . . . 3427 1 190 . 1 1 25 25 ARG HB2 H 1 1.84 . . 1 . . . . . . . . 3427 1 191 . 1 1 25 25 ARG HB3 H 1 1.84 . . 1 . . . . . . . . 3427 1 192 . 1 1 25 25 ARG HG2 H 1 1.69 . . 2 . . . . . . . . 3427 1 193 . 1 1 25 25 ARG HG3 H 1 1.6 . . 2 . . . . . . . . 3427 1 194 . 1 1 25 25 ARG HD2 H 1 3.16 . . 1 . . . . . . . . 3427 1 195 . 1 1 25 25 ARG HD3 H 1 3.16 . . 1 . . . . . . . . 3427 1 196 . 1 1 25 25 ARG HE H 1 7.22 . . 1 . . . . . . . . 3427 1 197 . 1 1 26 26 LYS H H 1 7.92 . . 1 . . . . . . . . 3427 1 198 . 1 1 26 26 LYS HA H 1 4.14 . . 1 . . . . . . . . 3427 1 199 . 1 1 26 26 LYS HB2 H 1 1.79 . . 2 . . . . . . . . 3427 1 200 . 1 1 26 26 LYS HB3 H 1 1.78 . . 2 . . . . . . . . 3427 1 201 . 1 1 26 26 LYS HG2 H 1 1.46 . . 2 . . . . . . . . 3427 1 202 . 1 1 26 26 LYS HG3 H 1 1.38 . . 2 . . . . . . . . 3427 1 203 . 1 1 26 26 LYS HD2 H 1 1.63 . . 1 . . . . . . . . 3427 1 204 . 1 1 26 26 LYS HD3 H 1 1.63 . . 1 . . . . . . . . 3427 1 205 . 1 1 26 26 LYS HE2 H 1 2.95 . . 1 . . . . . . . . 3427 1 206 . 1 1 26 26 LYS HE3 H 1 2.95 . . 1 . . . . . . . . 3427 1 207 . 1 1 26 26 LYS HZ1 H 1 7.53 . . 1 . . . . . . . . 3427 1 208 . 1 1 26 26 LYS HZ2 H 1 7.53 . . 1 . . . . . . . . 3427 1 209 . 1 1 26 26 LYS HZ3 H 1 7.53 . . 1 . . . . . . . . 3427 1 210 . 1 1 27 27 LYS H H 1 8 . . 1 . . . . . . . . 3427 1 211 . 1 1 27 27 LYS HA H 1 4.12 . . 1 . . . . . . . . 3427 1 212 . 1 1 27 27 LYS HB2 H 1 1.73 . . 1 . . . . . . . . 3427 1 213 . 1 1 27 27 LYS HB3 H 1 1.73 . . 1 . . . . . . . . 3427 1 214 . 1 1 27 27 LYS HG2 H 1 1.29 . . 2 . . . . . . . . 3427 1 215 . 1 1 27 27 LYS HG3 H 1 1.27 . . 2 . . . . . . . . 3427 1 216 . 1 1 27 27 LYS HD2 H 1 1.55 . . 1 . . . . . . . . 3427 1 217 . 1 1 27 27 LYS HD3 H 1 1.55 . . 1 . . . . . . . . 3427 1 218 . 1 1 27 27 LYS HE2 H 1 2.88 . . 1 . . . . . . . . 3427 1 219 . 1 1 27 27 LYS HE3 H 1 2.88 . . 1 . . . . . . . . 3427 1 220 . 1 1 27 27 LYS HZ1 H 1 7.58 . . 1 . . . . . . . . 3427 1 221 . 1 1 27 27 LYS HZ2 H 1 7.58 . . 1 . . . . . . . . 3427 1 222 . 1 1 27 27 LYS HZ3 H 1 7.58 . . 1 . . . . . . . . 3427 1 223 . 1 1 28 28 LEU H H 1 8.01 . . 1 . . . . . . . . 3427 1 224 . 1 1 28 28 LEU HA H 1 4.25 . . 1 . . . . . . . . 3427 1 225 . 1 1 28 28 LEU HB2 H 1 1.65 . . 2 . . . . . . . . 3427 1 226 . 1 1 28 28 LEU HB3 H 1 1.63 . . 2 . . . . . . . . 3427 1 227 . 1 1 28 28 LEU HG H 1 1.58 . . 1 . . . . . . . . 3427 1 228 . 1 1 28 28 LEU HD11 H 1 .88 . . 2 . . . . . . . . 3427 1 229 . 1 1 28 28 LEU HD12 H 1 .88 . . 2 . . . . . . . . 3427 1 230 . 1 1 28 28 LEU HD13 H 1 .88 . . 2 . . . . . . . . 3427 1 231 . 1 1 28 28 LEU HD21 H 1 .85 . . 2 . . . . . . . . 3427 1 232 . 1 1 28 28 LEU HD22 H 1 .85 . . 2 . . . . . . . . 3427 1 233 . 1 1 28 28 LEU HD23 H 1 .85 . . 2 . . . . . . . . 3427 1 234 . 1 1 29 29 GLN H H 1 8.07 . . 1 . . . . . . . . 3427 1 235 . 1 1 29 29 GLN HA H 1 4.1 . . 1 . . . . . . . . 3427 1 236 . 1 1 29 29 GLN HB2 H 1 2.08 . . 2 . . . . . . . . 3427 1 237 . 1 1 29 29 GLN HB3 H 1 2.02 . . 2 . . . . . . . . 3427 1 238 . 1 1 29 29 GLN HG2 H 1 2.36 . . 1 . . . . . . . . 3427 1 239 . 1 1 29 29 GLN HG3 H 1 2.36 . . 1 . . . . . . . . 3427 1 240 . 1 1 29 29 GLN HE21 H 1 7.46 . . 2 . . . . . . . . 3427 1 241 . 1 1 29 29 GLN HE22 H 1 6.86 . . 2 . . . . . . . . 3427 1 242 . 1 1 30 30 ASP H H 1 8.21 . . 1 . . . . . . . . 3427 1 243 . 1 1 30 30 ASP HA H 1 4.64 . . 1 . . . . . . . . 3427 1 244 . 1 1 30 30 ASP HB2 H 1 2.8 . . 2 . . . . . . . . 3427 1 245 . 1 1 30 30 ASP HB3 H 1 2.69 . . 2 . . . . . . . . 3427 1 246 . 1 1 31 31 VAL H H 1 7.89 . . 1 . . . . . . . . 3427 1 247 . 1 1 31 31 VAL HA H 1 4.02 . . 1 . . . . . . . . 3427 1 248 . 1 1 31 31 VAL HB H 1 2.05 . . 1 . . . . . . . . 3427 1 249 . 1 1 31 31 VAL HG11 H 1 .84 . . 1 . . . . . . . . 3427 1 250 . 1 1 31 31 VAL HG12 H 1 .84 . . 1 . . . . . . . . 3427 1 251 . 1 1 31 31 VAL HG13 H 1 .84 . . 1 . . . . . . . . 3427 1 252 . 1 1 31 31 VAL HG21 H 1 .84 . . 1 . . . . . . . . 3427 1 253 . 1 1 31 31 VAL HG22 H 1 .84 . . 1 . . . . . . . . 3427 1 254 . 1 1 31 31 VAL HG23 H 1 .84 . . 1 . . . . . . . . 3427 1 255 . 1 1 32 32 HIS H H 1 8.46 . . 1 . . . . . . . . 3427 1 256 . 1 1 32 32 HIS HA H 1 4.61 . . 1 . . . . . . . . 3427 1 257 . 1 1 32 32 HIS HB2 H 1 3.14 . . 2 . . . . . . . . 3427 1 258 . 1 1 32 32 HIS HB3 H 1 3.08 . . 2 . . . . . . . . 3427 1 259 . 1 1 32 32 HIS HD2 H 1 7.16 . . 1 . . . . . . . . 3427 1 260 . 1 1 32 32 HIS HE1 H 1 8.57 . . 1 . . . . . . . . 3427 1 261 . 1 1 33 33 ASN H H 1 8.25 . . 1 . . . . . . . . 3427 1 262 . 1 1 33 33 ASN HA H 1 4.65 . . 1 . . . . . . . . 3427 1 263 . 1 1 33 33 ASN HB2 H 1 2.73 . . 2 . . . . . . . . 3427 1 264 . 1 1 33 33 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 3427 1 265 . 1 1 33 33 ASN HD21 H 1 7.48 . . 2 . . . . . . . . 3427 1 266 . 1 1 33 33 ASN HD22 H 1 6.86 . . 2 . . . . . . . . 3427 1 267 . 1 1 34 34 PHE H H 1 8.19 . . 1 . . . . . . . . 3427 1 268 . 1 1 34 34 PHE HA H 1 4.57 . . 1 . . . . . . . . 3427 1 269 . 1 1 34 34 PHE HB2 H 1 3.18 . . 2 . . . . . . . . 3427 1 270 . 1 1 34 34 PHE HB3 H 1 3 . . 2 . . . . . . . . 3427 1 271 . 1 1 34 34 PHE HD1 H 1 7.1 . . 1 . . . . . . . . 3427 1 272 . 1 1 34 34 PHE HD2 H 1 7.1 . . 1 . . . . . . . . 3427 1 273 . 1 1 34 34 PHE HE1 H 1 7.22 . . 1 . . . . . . . . 3427 1 274 . 1 1 34 34 PHE HE2 H 1 7.22 . . 1 . . . . . . . . 3427 1 stop_ save_