data_1729 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 1729 _Entry.Title ; Complete Sequence-Specific 1H Nuclear Magnetic Resonance Assignments for Mouse Epidermal Growth Factor ; _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 Daisuke Kohda . . . 1729 2 Fuyuhiko Inagaki . . . 1729 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 1729 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 344 1729 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 . . 2010-06-15 . revision BMRB 'Complete natural source information' 1729 4 . . 1999-06-14 . revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1729 3 . . 1996-04-13 . revision BMRB 'Link to the Protein Data Bank added' 1729 2 . . 1996-03-25 . reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1729 1 . . 1995-07-31 . original BMRB 'Last release in original BMRB flat-file format' 1729 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 1729 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Kohda, Daisuke, Inagaki, Fuyuhiko, "Complete Sequence-Specific 1H Nuclear Magnetic Resonance Assignments for Mouse Epidermal Growth Factor," J. Biochem. 103, 554-571 (1988). ; _Citation.Title ; Complete Sequence-Specific 1H Nuclear Magnetic Resonance Assignments for Mouse Epidermal Growth Factor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 103 _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 554 _Citation.Page_last 571 _Citation.Year 1988 _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 Daisuke Kohda . . . 1729 1 2 Fuyuhiko Inagaki . . . 1729 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_epidermal_growth_factor _Assembly.Sf_category assembly _Assembly.Sf_framecode system_epidermal_growth_factor _Assembly.Entry_ID 1729 _Assembly.ID 1 _Assembly.Name 'epidermal growth factor' _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 'epidermal growth factor' 1 $epidermal_growth_factor . . . . . . . . . 1729 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 1EGF . . . . . . 1729 1 . PDB 1EPG . . . . . . 1729 1 . PDB 1EPH . . . . . . 1729 1 . PDB 1EPI . . . . . . 1729 1 . PDB 1EPJ . . . . . . 1729 1 . PDB 3EGF . . . . . . 1729 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'epidermal growth factor' system 1729 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_epidermal_growth_factor _Entity.Sf_category entity _Entity.Sf_framecode epidermal_growth_factor _Entity.Entry_ID 1729 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'epidermal growth factor' _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 ; NSYPGCPSSYDGYCLNGGVC MHIESLDSYTCNCVIGYSGD RCQTRDLRWWELR ; _Entity.Polymer_seq_one_letter_code ; NSYPGCPSSYDGYCLNGGVC MHIESLDSYTCNCVIGYSGD RCQTRDLRWWELR ; _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 53 _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 1674 . "epidermal growth factor" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 2 no BMRB 21 . "epidermal growth factor" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 3 no BMRB 2201 . "epidermal growth factor" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 4 no BMRB 2249 . "epidermal growth factor" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 5 no PDB 1EGF . "Solution Structure Of Murine Epidermal Growth Factor Determined By Nmr Spectroscopy And Refined By Energy Minimization With Res" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 6 no PDB 1EPG . "Three-Dimensional Nuclear Magnetic Resonance Structures Of Mouse Epidermal Growth Factor In Acidic And Physiological Ph Solutio" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 7 no PDB 1EPH . "Three-Dimensional Nuclear Magnetic Resonance Structures Of Mouse Epidermal Growth Factor In Acidic And Physiological Ph Solutio" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 8 no PDB 1EPI . "Three-Dimensional Nuclear Magnetic Resonance Structures Of Mouse Epidermal Growth Factor In Acidic And Physiological Ph Solutio" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 9 no PDB 1EPJ . "Three-Dimensional Nuclear Magnetic Resonance Structures Of Mouse Epidermal Growth Factor In Acidic And Physiological Ph Solutio" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 10 no PDB 3EGF . "Solution Structure Of Murine Epidermal Growth Factor Determined By Nmr Spectroscopy And Refined By Energy Minimization With Res" . . . . . 100.00 53 100.00 100.00 6.66e-30 . . . . 1729 1 11 no DBJ BAE22978 . "unnamed protein product [Mus musculus]" . . . . . 100.00 716 100.00 100.00 4.29e-28 . . . . 1729 1 12 no EMBL CAA24115 . "unnamed protein product [Mus musculus]" . . . . . 100.00 1217 100.00 100.00 7.91e-28 . . . . 1729 1 13 no EMBL CAA24116 . "unnamed protein product [Mus musculus]" . . . . . 67.92 36 100.00 100.00 7.88e-17 . . . . 1729 1 14 no GB AAA37539 . "prepro-egf [Mus musculus]" . . . . . 100.00 1217 100.00 100.00 7.69e-28 . . . . 1729 1 15 no GB AAA72791 . "epidermal growth factor protein, partial [synthetic construct]" . . . . . 100.00 56 100.00 100.00 4.19e-30 . . . . 1729 1 16 no GB AAA72815 . "epidermal growth factor, partial [synthetic construct]" . . . . . 100.00 54 100.00 100.00 6.18e-30 . . . . 1729 1 17 no GB AAH17681 . "Egf protein [Mus musculus]" . . . . . 100.00 1200 100.00 100.00 7.31e-28 . . . . 1729 1 18 no GB AAH60741 . "Epidermal growth factor [Mus musculus]" . . . . . 100.00 1217 100.00 100.00 7.91e-28 . . . . 1729 1 19 no PRF 0907234A . "epidermal growth factor precursor" . . . . . 100.00 1168 100.00 100.00 6.69e-28 . . . . 1729 1 20 no REF NP_001297666 . "pro-epidermal growth factor isoform 2 [Mus musculus]" . . . . . 100.00 716 100.00 100.00 4.29e-28 . . . . 1729 1 21 no REF NP_034243 . "pro-epidermal growth factor isoform 1 precursor [Mus musculus]" . . . . . 100.00 1217 100.00 100.00 7.76e-28 . . . . 1729 1 22 no REF XP_006501053 . "PREDICTED: pro-epidermal growth factor isoform X4 [Mus musculus]" . . . . . 100.00 1176 100.00 100.00 6.10e-28 . . . . 1729 1 23 no REF XP_011238312 . "PREDICTED: pro-epidermal growth factor isoform X1 [Mus musculus]" . . . . . 100.00 1221 100.00 100.00 7.71e-28 . . . . 1729 1 24 no REF XP_011238313 . "PREDICTED: pro-epidermal growth factor isoform X2 [Mus musculus]" . . . . . 100.00 1180 100.00 100.00 6.06e-28 . . . . 1729 1 25 no SP P01132 . "RecName: Full=Pro-epidermal growth factor; Short=EGF; Contains: RecName: Full=Epidermal growth factor; Flags: Precursor" . . . . . 100.00 1217 100.00 100.00 7.76e-28 . . . . 1729 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID alpha variant 1729 1 'epidermal growth factor' common 1729 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 . ASN . 1729 1 2 . SER . 1729 1 3 . TYR . 1729 1 4 . PRO . 1729 1 5 . GLY . 1729 1 6 . CYS . 1729 1 7 . PRO . 1729 1 8 . SER . 1729 1 9 . SER . 1729 1 10 . TYR . 1729 1 11 . ASP . 1729 1 12 . GLY . 1729 1 13 . TYR . 1729 1 14 . CYS . 1729 1 15 . LEU . 1729 1 16 . ASN . 1729 1 17 . GLY . 1729 1 18 . GLY . 1729 1 19 . VAL . 1729 1 20 . CYS . 1729 1 21 . MET . 1729 1 22 . HIS . 1729 1 23 . ILE . 1729 1 24 . GLU . 1729 1 25 . SER . 1729 1 26 . LEU . 1729 1 27 . ASP . 1729 1 28 . SER . 1729 1 29 . TYR . 1729 1 30 . THR . 1729 1 31 . CYS . 1729 1 32 . ASN . 1729 1 33 . CYS . 1729 1 34 . VAL . 1729 1 35 . ILE . 1729 1 36 . GLY . 1729 1 37 . TYR . 1729 1 38 . SER . 1729 1 39 . GLY . 1729 1 40 . ASP . 1729 1 41 . ARG . 1729 1 42 . CYS . 1729 1 43 . GLN . 1729 1 44 . THR . 1729 1 45 . ARG . 1729 1 46 . ASP . 1729 1 47 . LEU . 1729 1 48 . ARG . 1729 1 49 . TRP . 1729 1 50 . TRP . 1729 1 51 . GLU . 1729 1 52 . LEU . 1729 1 53 . ARG . 1729 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 . ASN 1 1 1729 1 . SER 2 2 1729 1 . TYR 3 3 1729 1 . PRO 4 4 1729 1 . GLY 5 5 1729 1 . CYS 6 6 1729 1 . PRO 7 7 1729 1 . SER 8 8 1729 1 . SER 9 9 1729 1 . TYR 10 10 1729 1 . ASP 11 11 1729 1 . GLY 12 12 1729 1 . TYR 13 13 1729 1 . CYS 14 14 1729 1 . LEU 15 15 1729 1 . ASN 16 16 1729 1 . GLY 17 17 1729 1 . GLY 18 18 1729 1 . VAL 19 19 1729 1 . CYS 20 20 1729 1 . MET 21 21 1729 1 . HIS 22 22 1729 1 . ILE 23 23 1729 1 . GLU 24 24 1729 1 . SER 25 25 1729 1 . LEU 26 26 1729 1 . ASP 27 27 1729 1 . SER 28 28 1729 1 . TYR 29 29 1729 1 . THR 30 30 1729 1 . CYS 31 31 1729 1 . ASN 32 32 1729 1 . CYS 33 33 1729 1 . VAL 34 34 1729 1 . ILE 35 35 1729 1 . GLY 36 36 1729 1 . TYR 37 37 1729 1 . SER 38 38 1729 1 . GLY 39 39 1729 1 . ASP 40 40 1729 1 . ARG 41 41 1729 1 . CYS 42 42 1729 1 . GLN 43 43 1729 1 . THR 44 44 1729 1 . ARG 45 45 1729 1 . ASP 46 46 1729 1 . LEU 47 47 1729 1 . ARG 48 48 1729 1 . TRP 49 49 1729 1 . TRP 50 50 1729 1 . GLU 51 51 1729 1 . LEU 52 52 1729 1 . ARG 53 53 1729 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 1729 _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 $epidermal_growth_factor . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . 'salivary gland' . . . . . . . . . . . . . . . . 1729 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 1729 _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 $epidermal_growth_factor . 'not available' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1729 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 1729 _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 1729 _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 2 . na 1729 1 temperature 301 . K 1729 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 1729 _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 1729 _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' . . 1729 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 1729 _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 . . . . . . . . . . . . . . . . 1729 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 1729 _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 . DSS . . . . . ppm 0 . . . . . . 1 $entry_citation . . 1 $entry_citation 1729 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 1729 _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 . 1729 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 ASN HA H 1 4.39 .01 . 1 . . . . . . . . 1729 1 2 . 1 1 1 1 ASN HB2 H 1 2.9 .01 . 1 . . . . . . . . 1729 1 3 . 1 1 1 1 ASN HB3 H 1 2.9 .01 . 1 . . . . . . . . 1729 1 4 . 1 1 1 1 ASN HD21 H 1 7.02 .01 . 2 . . . . . . . . 1729 1 5 . 1 1 1 1 ASN HD22 H 1 7.6 .01 . 2 . . . . . . . . 1729 1 6 . 1 1 2 2 SER H H 1 8.6 .01 . 1 . . . . . . . . 1729 1 7 . 1 1 2 2 SER HA H 1 4.65 .01 . 1 . . . . . . . . 1729 1 8 . 1 1 2 2 SER HB2 H 1 3.73 .01 . 2 . . . . . . . . 1729 1 9 . 1 1 2 2 SER HB3 H 1 3.77 .01 . 2 . . . . . . . . 1729 1 10 . 1 1 3 3 TYR H H 1 8.36 .01 . 1 . . . . . . . . 1729 1 11 . 1 1 3 3 TYR HA H 1 4.95 .01 . 1 . . . . . . . . 1729 1 12 . 1 1 3 3 TYR HB2 H 1 2.77 .01 . 2 . . . . . . . . 1729 1 13 . 1 1 3 3 TYR HB3 H 1 3.12 .01 . 2 . . . . . . . . 1729 1 14 . 1 1 3 3 TYR HD1 H 1 7.18 .01 . 1 . . . . . . . . 1729 1 15 . 1 1 3 3 TYR HD2 H 1 7.18 .01 . 1 . . . . . . . . 1729 1 16 . 1 1 3 3 TYR HE1 H 1 6.83 .01 . 1 . . . . . . . . 1729 1 17 . 1 1 3 3 TYR HE2 H 1 6.83 .01 . 1 . . . . . . . . 1729 1 18 . 1 1 4 4 PRO HA H 1 4.69 .01 . 1 . . . . . . . . 1729 1 19 . 1 1 4 4 PRO HB2 H 1 2.16 .01 . 2 . . . . . . . . 1729 1 20 . 1 1 4 4 PRO HB3 H 1 2.82 .01 . 2 . . . . . . . . 1729 1 21 . 1 1 4 4 PRO HG2 H 1 2.06 .01 . 2 . . . . . . . . 1729 1 22 . 1 1 4 4 PRO HG3 H 1 2.1 .01 . 2 . . . . . . . . 1729 1 23 . 1 1 4 4 PRO HD2 H 1 3.68 .01 . 2 . . . . . . . . 1729 1 24 . 1 1 4 4 PRO HD3 H 1 3.88 .01 . 2 . . . . . . . . 1729 1 25 . 1 1 5 5 GLY H H 1 8.1 .01 . 1 . . . . . . . . 1729 1 26 . 1 1 5 5 GLY HA2 H 1 4.09 .01 . 2 . . . . . . . . 1729 1 27 . 1 1 5 5 GLY HA3 H 1 4.27 .01 . 2 . . . . . . . . 1729 1 28 . 1 1 6 6 CYS H H 1 8.68 .01 . 1 . . . . . . . . 1729 1 29 . 1 1 6 6 CYS HA H 1 4.55 .01 . 1 . . . . . . . . 1729 1 30 . 1 1 6 6 CYS HB2 H 1 3.01 .01 . 2 . . . . . . . . 1729 1 31 . 1 1 6 6 CYS HB3 H 1 2.85 .01 . 2 . . . . . . . . 1729 1 32 . 1 1 7 7 PRO HA H 1 4.62 .01 . 1 . . . . . . . . 1729 1 33 . 1 1 7 7 PRO HB2 H 1 2.13 .01 . 2 . . . . . . . . 1729 1 34 . 1 1 7 7 PRO HB3 H 1 2.48 .01 . 2 . . . . . . . . 1729 1 35 . 1 1 7 7 PRO HG2 H 1 1.88 .01 . 2 . . . . . . . . 1729 1 36 . 1 1 7 7 PRO HG3 H 1 1.98 .01 . 2 . . . . . . . . 1729 1 37 . 1 1 7 7 PRO HD2 H 1 2.74 .01 . 2 . . . . . . . . 1729 1 38 . 1 1 7 7 PRO HD3 H 1 3.41 .01 . 2 . . . . . . . . 1729 1 39 . 1 1 8 8 SER H H 1 9.03 .01 . 1 . . . . . . . . 1729 1 40 . 1 1 8 8 SER HA H 1 4.14 .01 . 1 . . . . . . . . 1729 1 41 . 1 1 8 8 SER HB2 H 1 3.98 .01 . 1 . . . . . . . . 1729 1 42 . 1 1 8 8 SER HB3 H 1 3.98 .01 . 1 . . . . . . . . 1729 1 43 . 1 1 9 9 SER H H 1 8.02 .01 . 1 . . . . . . . . 1729 1 44 . 1 1 9 9 SER HA H 1 4.19 .01 . 1 . . . . . . . . 1729 1 45 . 1 1 9 9 SER HB2 H 1 3.82 .01 . 1 . . . . . . . . 1729 1 46 . 1 1 9 9 SER HB3 H 1 3.82 .01 . 1 . . . . . . . . 1729 1 47 . 1 1 10 10 TYR H H 1 8.14 .01 . 1 . . . . . . . . 1729 1 48 . 1 1 10 10 TYR HA H 1 4.22 .01 . 1 . . . . . . . . 1729 1 49 . 1 1 10 10 TYR HB2 H 1 2.71 .01 . 2 . . . . . . . . 1729 1 50 . 1 1 10 10 TYR HB3 H 1 3.3 .01 . 2 . . . . . . . . 1729 1 51 . 1 1 10 10 TYR HD1 H 1 6.46 .01 . 1 . . . . . . . . 1729 1 52 . 1 1 10 10 TYR HD2 H 1 6.46 .01 . 1 . . . . . . . . 1729 1 53 . 1 1 10 10 TYR HE1 H 1 6 .01 . 1 . . . . . . . . 1729 1 54 . 1 1 10 10 TYR HE2 H 1 6 .01 . 1 . . . . . . . . 1729 1 55 . 1 1 11 11 ASP H H 1 7.96 .01 . 1 . . . . . . . . 1729 1 56 . 1 1 11 11 ASP HA H 1 4.54 .01 . 1 . . . . . . . . 1729 1 57 . 1 1 11 11 ASP HB2 H 1 3 .01 . 1 . . . . . . . . 1729 1 58 . 1 1 11 11 ASP HB3 H 1 3 .01 . 1 . . . . . . . . 1729 1 59 . 1 1 12 12 GLY H H 1 8.82 .01 . 1 . . . . . . . . 1729 1 60 . 1 1 12 12 GLY HA2 H 1 3.93 .01 . 2 . . . . . . . . 1729 1 61 . 1 1 12 12 GLY HA3 H 1 4.03 .01 . 2 . . . . . . . . 1729 1 62 . 1 1 13 13 TYR H H 1 7.98 .01 . 1 . . . . . . . . 1729 1 63 . 1 1 13 13 TYR HA H 1 4.12 .01 . 1 . . . . . . . . 1729 1 64 . 1 1 13 13 TYR HB2 H 1 3.07 .01 . 2 . . . . . . . . 1729 1 65 . 1 1 13 13 TYR HB3 H 1 3.1 .01 . 2 . . . . . . . . 1729 1 66 . 1 1 13 13 TYR HD1 H 1 7.05 .01 . 1 . . . . . . . . 1729 1 67 . 1 1 13 13 TYR HD2 H 1 7.05 .01 . 1 . . . . . . . . 1729 1 68 . 1 1 13 13 TYR HE1 H 1 6.8 .01 . 1 . . . . . . . . 1729 1 69 . 1 1 13 13 TYR HE2 H 1 6.8 .01 . 1 . . . . . . . . 1729 1 70 . 1 1 14 14 CYS H H 1 8.75 .01 . 1 . . . . . . . . 1729 1 71 . 1 1 14 14 CYS HA H 1 4.44 .01 . 1 . . . . . . . . 1729 1 72 . 1 1 14 14 CYS HB2 H 1 2.31 .01 . 2 . . . . . . . . 1729 1 73 . 1 1 14 14 CYS HB3 H 1 2.63 .01 . 2 . . . . . . . . 1729 1 74 . 1 1 15 15 LEU H H 1 8.34 .01 . 1 . . . . . . . . 1729 1 75 . 1 1 15 15 LEU HA H 1 4.32 .01 . 1 . . . . . . . . 1729 1 76 . 1 1 15 15 LEU HB2 H 1 1.32 .01 . 2 . . . . . . . . 1729 1 77 . 1 1 15 15 LEU HB3 H 1 1.66 .01 . 2 . . . . . . . . 1729 1 78 . 1 1 15 15 LEU HG H 1 1.66 .01 . 1 . . . . . . . . 1729 1 79 . 1 1 15 15 LEU HD11 H 1 .77 .01 . 1 . . . . . . . . 1729 1 80 . 1 1 15 15 LEU HD12 H 1 .77 .01 . 1 . . . . . . . . 1729 1 81 . 1 1 15 15 LEU HD13 H 1 .77 .01 . 1 . . . . . . . . 1729 1 82 . 1 1 15 15 LEU HD21 H 1 .77 .01 . 1 . . . . . . . . 1729 1 83 . 1 1 15 15 LEU HD22 H 1 .77 .01 . 1 . . . . . . . . 1729 1 84 . 1 1 15 15 LEU HD23 H 1 .77 .01 . 1 . . . . . . . . 1729 1 85 . 1 1 16 16 ASN H H 1 8.99 .01 . 1 . . . . . . . . 1729 1 86 . 1 1 16 16 ASN HA H 1 4.07 .01 . 1 . . . . . . . . 1729 1 87 . 1 1 16 16 ASN HB2 H 1 1.42 .01 . 2 . . . . . . . . 1729 1 88 . 1 1 16 16 ASN HB3 H 1 2.02 .01 . 2 . . . . . . . . 1729 1 89 . 1 1 16 16 ASN HD21 H 1 7.24 .01 . 2 . . . . . . . . 1729 1 90 . 1 1 16 16 ASN HD22 H 1 8.06 .01 . 2 . . . . . . . . 1729 1 91 . 1 1 17 17 GLY H H 1 8.74 .01 . 1 . . . . . . . . 1729 1 92 . 1 1 17 17 GLY HA2 H 1 3.64 .01 . 2 . . . . . . . . 1729 1 93 . 1 1 17 17 GLY HA3 H 1 4.06 .01 . 2 . . . . . . . . 1729 1 94 . 1 1 18 18 GLY H H 1 7.5 .01 . 1 . . . . . . . . 1729 1 95 . 1 1 18 18 GLY HA2 H 1 3.47 .01 . 2 . . . . . . . . 1729 1 96 . 1 1 18 18 GLY HA3 H 1 4.37 .01 . 2 . . . . . . . . 1729 1 97 . 1 1 19 19 VAL H H 1 8.16 .01 . 1 . . . . . . . . 1729 1 98 . 1 1 19 19 VAL HA H 1 4.38 .01 . 1 . . . . . . . . 1729 1 99 . 1 1 19 19 VAL HB H 1 2.04 .01 . 1 . . . . . . . . 1729 1 100 . 1 1 19 19 VAL HG11 H 1 1.05 .01 . 1 . . . . . . . . 1729 1 101 . 1 1 19 19 VAL HG12 H 1 1.05 .01 . 1 . . . . . . . . 1729 1 102 . 1 1 19 19 VAL HG13 H 1 1.05 .01 . 1 . . . . . . . . 1729 1 103 . 1 1 19 19 VAL HG21 H 1 1.05 .01 . 1 . . . . . . . . 1729 1 104 . 1 1 19 19 VAL HG22 H 1 1.05 .01 . 1 . . . . . . . . 1729 1 105 . 1 1 19 19 VAL HG23 H 1 1.05 .01 . 1 . . . . . . . . 1729 1 106 . 1 1 20 20 CYS H H 1 8.88 .01 . 1 . . . . . . . . 1729 1 107 . 1 1 20 20 CYS HA H 1 5.05 .01 . 1 . . . . . . . . 1729 1 108 . 1 1 20 20 CYS HB2 H 1 3.17 .01 . 2 . . . . . . . . 1729 1 109 . 1 1 20 20 CYS HB3 H 1 3.41 .01 . 2 . . . . . . . . 1729 1 110 . 1 1 21 21 MET H H 1 9.62 .01 . 1 . . . . . . . . 1729 1 111 . 1 1 21 21 MET HA H 1 5.02 .01 . 1 . . . . . . . . 1729 1 112 . 1 1 21 21 MET HB2 H 1 1.93 .01 . 2 . . . . . . . . 1729 1 113 . 1 1 21 21 MET HB3 H 1 1.97 .01 . 2 . . . . . . . . 1729 1 114 . 1 1 21 21 MET HG2 H 1 2.49 .01 . 1 . . . . . . . . 1729 1 115 . 1 1 21 21 MET HG3 H 1 2.49 .01 . 1 . . . . . . . . 1729 1 116 . 1 1 21 21 MET HE1 H 1 1.92 .01 . 1 . . . . . . . . 1729 1 117 . 1 1 21 21 MET HE2 H 1 1.92 .01 . 1 . . . . . . . . 1729 1 118 . 1 1 21 21 MET HE3 H 1 1.92 .01 . 1 . . . . . . . . 1729 1 119 . 1 1 22 22 HIS H H 1 8.82 .01 . 1 . . . . . . . . 1729 1 120 . 1 1 22 22 HIS HA H 1 5.2 .01 . 1 . . . . . . . . 1729 1 121 . 1 1 22 22 HIS HB2 H 1 2.97 .01 . 2 . . . . . . . . 1729 1 122 . 1 1 22 22 HIS HB3 H 1 3.25 .01 . 2 . . . . . . . . 1729 1 123 . 1 1 22 22 HIS HD2 H 1 6.58 .01 . 1 . . . . . . . . 1729 1 124 . 1 1 22 22 HIS HE1 H 1 8.56 .01 . 1 . . . . . . . . 1729 1 125 . 1 1 23 23 ILE H H 1 8.4 .01 . 1 . . . . . . . . 1729 1 126 . 1 1 23 23 ILE HA H 1 4.12 .01 . 1 . . . . . . . . 1729 1 127 . 1 1 23 23 ILE HB H 1 1.84 .01 . 1 . . . . . . . . 1729 1 128 . 1 1 23 23 ILE HG12 H 1 1.31 .01 . 2 . . . . . . . . 1729 1 129 . 1 1 23 23 ILE HG13 H 1 .98 .01 . 2 . . . . . . . . 1729 1 130 . 1 1 23 23 ILE HG21 H 1 .84 .01 . 1 . . . . . . . . 1729 1 131 . 1 1 23 23 ILE HG22 H 1 .84 .01 . 1 . . . . . . . . 1729 1 132 . 1 1 23 23 ILE HG23 H 1 .84 .01 . 1 . . . . . . . . 1729 1 133 . 1 1 23 23 ILE HD11 H 1 .7 .01 . 1 . . . . . . . . 1729 1 134 . 1 1 23 23 ILE HD12 H 1 .7 .01 . 1 . . . . . . . . 1729 1 135 . 1 1 23 23 ILE HD13 H 1 .7 .01 . 1 . . . . . . . . 1729 1 136 . 1 1 24 24 GLU H H 1 8.52 .01 . 1 . . . . . . . . 1729 1 137 . 1 1 24 24 GLU HA H 1 3.72 .01 . 1 . . . . . . . . 1729 1 138 . 1 1 24 24 GLU HB2 H 1 2.02 .01 . 2 . . . . . . . . 1729 1 139 . 1 1 24 24 GLU HB3 H 1 2.06 .01 . 2 . . . . . . . . 1729 1 140 . 1 1 24 24 GLU HG2 H 1 2.4 .01 . 2 . . . . . . . . 1729 1 141 . 1 1 24 24 GLU HG3 H 1 2.43 .01 . 2 . . . . . . . . 1729 1 142 . 1 1 25 25 SER H H 1 8.53 .01 . 1 . . . . . . . . 1729 1 143 . 1 1 25 25 SER HA H 1 4.16 .01 . 1 . . . . . . . . 1729 1 144 . 1 1 25 25 SER HB2 H 1 3.9 .01 . 2 . . . . . . . . 1729 1 145 . 1 1 25 25 SER HB3 H 1 3.93 .01 . 2 . . . . . . . . 1729 1 146 . 1 1 26 26 LEU H H 1 6.95 .01 . 1 . . . . . . . . 1729 1 147 . 1 1 26 26 LEU HA H 1 4.46 .01 . 1 . . . . . . . . 1729 1 148 . 1 1 26 26 LEU HB2 H 1 1.48 .01 . 2 . . . . . . . . 1729 1 149 . 1 1 26 26 LEU HB3 H 1 1.59 .01 . 2 . . . . . . . . 1729 1 150 . 1 1 26 26 LEU HG H 1 1.57 .01 . 1 . . . . . . . . 1729 1 151 . 1 1 26 26 LEU HD11 H 1 .84 .01 . 2 . . . . . . . . 1729 1 152 . 1 1 26 26 LEU HD12 H 1 .84 .01 . 2 . . . . . . . . 1729 1 153 . 1 1 26 26 LEU HD13 H 1 .84 .01 . 2 . . . . . . . . 1729 1 154 . 1 1 26 26 LEU HD21 H 1 .88 .01 . 2 . . . . . . . . 1729 1 155 . 1 1 26 26 LEU HD22 H 1 .88 .01 . 2 . . . . . . . . 1729 1 156 . 1 1 26 26 LEU HD23 H 1 .88 .01 . 2 . . . . . . . . 1729 1 157 . 1 1 27 27 ASP H H 1 8.06 .01 . 1 . . . . . . . . 1729 1 158 . 1 1 27 27 ASP HA H 1 4.4 .01 . 1 . . . . . . . . 1729 1 159 . 1 1 27 27 ASP HB2 H 1 2.78 .01 . 2 . . . . . . . . 1729 1 160 . 1 1 27 27 ASP HB3 H 1 3.23 .01 . 2 . . . . . . . . 1729 1 161 . 1 1 28 28 SER H H 1 7.23 .01 . 1 . . . . . . . . 1729 1 162 . 1 1 28 28 SER HA H 1 4.65 .01 . 1 . . . . . . . . 1729 1 163 . 1 1 28 28 SER HB2 H 1 3.56 .01 . 2 . . . . . . . . 1729 1 164 . 1 1 28 28 SER HB3 H 1 3.67 .01 . 2 . . . . . . . . 1729 1 165 . 1 1 29 29 TYR H H 1 8.44 .01 . 1 . . . . . . . . 1729 1 166 . 1 1 29 29 TYR HA H 1 5.28 .01 . 1 . . . . . . . . 1729 1 167 . 1 1 29 29 TYR HB2 H 1 2.32 .01 . 2 . . . . . . . . 1729 1 168 . 1 1 29 29 TYR HB3 H 1 2.53 .01 . 2 . . . . . . . . 1729 1 169 . 1 1 29 29 TYR HD1 H 1 6.84 .01 . 1 . . . . . . . . 1729 1 170 . 1 1 29 29 TYR HD2 H 1 6.84 .01 . 1 . . . . . . . . 1729 1 171 . 1 1 29 29 TYR HE1 H 1 6.28 .01 . 1 . . . . . . . . 1729 1 172 . 1 1 29 29 TYR HE2 H 1 6.28 .01 . 1 . . . . . . . . 1729 1 173 . 1 1 30 30 THR H H 1 9.03 .01 . 1 . . . . . . . . 1729 1 174 . 1 1 30 30 THR HA H 1 5.05 .01 . 1 . . . . . . . . 1729 1 175 . 1 1 30 30 THR HB H 1 4.15 .01 . 1 . . . . . . . . 1729 1 176 . 1 1 30 30 THR HG21 H 1 1.12 .01 . 1 . . . . . . . . 1729 1 177 . 1 1 30 30 THR HG22 H 1 1.12 .01 . 1 . . . . . . . . 1729 1 178 . 1 1 30 30 THR HG23 H 1 1.12 .01 . 1 . . . . . . . . 1729 1 179 . 1 1 31 31 CYS H H 1 8.65 .01 . 1 . . . . . . . . 1729 1 180 . 1 1 31 31 CYS HA H 1 5.34 .01 . 1 . . . . . . . . 1729 1 181 . 1 1 31 31 CYS HB2 H 1 2.64 .01 . 2 . . . . . . . . 1729 1 182 . 1 1 31 31 CYS HB3 H 1 2.8 .01 . 2 . . . . . . . . 1729 1 183 . 1 1 32 32 ASN H H 1 9.44 .01 . 1 . . . . . . . . 1729 1 184 . 1 1 32 32 ASN HA H 1 5.05 .01 . 1 . . . . . . . . 1729 1 185 . 1 1 32 32 ASN HB2 H 1 2.81 .01 . 2 . . . . . . . . 1729 1 186 . 1 1 32 32 ASN HB3 H 1 3.02 .01 . 2 . . . . . . . . 1729 1 187 . 1 1 32 32 ASN HD21 H 1 6.83 .01 . 2 . . . . . . . . 1729 1 188 . 1 1 32 32 ASN HD22 H 1 7.26 .01 . 2 . . . . . . . . 1729 1 189 . 1 1 33 33 CYS H H 1 8.89 .01 . 1 . . . . . . . . 1729 1 190 . 1 1 33 33 CYS HA H 1 4.8 .01 . 1 . . . . . . . . 1729 1 191 . 1 1 33 33 CYS HB2 H 1 2.68 .01 . 2 . . . . . . . . 1729 1 192 . 1 1 33 33 CYS HB3 H 1 3.31 .01 . 2 . . . . . . . . 1729 1 193 . 1 1 34 34 VAL H H 1 8.42 .01 . 1 . . . . . . . . 1729 1 194 . 1 1 34 34 VAL HA H 1 4.09 .01 . 1 . . . . . . . . 1729 1 195 . 1 1 34 34 VAL HB H 1 2.12 .01 . 1 . . . . . . . . 1729 1 196 . 1 1 34 34 VAL HG11 H 1 1.05 .01 . 2 . . . . . . . . 1729 1 197 . 1 1 34 34 VAL HG12 H 1 1.05 .01 . 2 . . . . . . . . 1729 1 198 . 1 1 34 34 VAL HG13 H 1 1.05 .01 . 2 . . . . . . . . 1729 1 199 . 1 1 34 34 VAL HG21 H 1 1.2 .01 . 2 . . . . . . . . 1729 1 200 . 1 1 34 34 VAL HG22 H 1 1.2 .01 . 2 . . . . . . . . 1729 1 201 . 1 1 34 34 VAL HG23 H 1 1.2 .01 . 2 . . . . . . . . 1729 1 202 . 1 1 35 35 ILE H H 1 7.98 .01 . 1 . . . . . . . . 1729 1 203 . 1 1 35 35 ILE HA H 1 3.81 .01 . 1 . . . . . . . . 1729 1 204 . 1 1 35 35 ILE HB H 1 1.72 .01 . 1 . . . . . . . . 1729 1 205 . 1 1 35 35 ILE HG12 H 1 1.07 .01 . 2 . . . . . . . . 1729 1 206 . 1 1 35 35 ILE HG13 H 1 1.4 .01 . 2 . . . . . . . . 1729 1 207 . 1 1 35 35 ILE HG21 H 1 .75 .01 . 1 . . . . . . . . 1729 1 208 . 1 1 35 35 ILE HG22 H 1 .75 .01 . 1 . . . . . . . . 1729 1 209 . 1 1 35 35 ILE HG23 H 1 .75 .01 . 1 . . . . . . . . 1729 1 210 . 1 1 35 35 ILE HD11 H 1 .86 .01 . 1 . . . . . . . . 1729 1 211 . 1 1 35 35 ILE HD12 H 1 .86 .01 . 1 . . . . . . . . 1729 1 212 . 1 1 35 35 ILE HD13 H 1 .86 .01 . 1 . . . . . . . . 1729 1 213 . 1 1 36 36 GLY H H 1 8.16 .01 . 1 . . . . . . . . 1729 1 214 . 1 1 36 36 GLY HA2 H 1 3.2 .01 . 2 . . . . . . . . 1729 1 215 . 1 1 36 36 GLY HA3 H 1 4.16 .01 . 2 . . . . . . . . 1729 1 216 . 1 1 37 37 TYR H H 1 8.22 .01 . 1 . . . . . . . . 1729 1 217 . 1 1 37 37 TYR HA H 1 5.41 .01 . 1 . . . . . . . . 1729 1 218 . 1 1 37 37 TYR HB2 H 1 2.97 .01 . 2 . . . . . . . . 1729 1 219 . 1 1 37 37 TYR HB3 H 1 3.01 .01 . 2 . . . . . . . . 1729 1 220 . 1 1 37 37 TYR HD1 H 1 6.9 .01 . 1 . . . . . . . . 1729 1 221 . 1 1 37 37 TYR HD2 H 1 6.9 .01 . 1 . . . . . . . . 1729 1 222 . 1 1 37 37 TYR HE1 H 1 6.67 .01 . 1 . . . . . . . . 1729 1 223 . 1 1 37 37 TYR HE2 H 1 6.67 .01 . 1 . . . . . . . . 1729 1 224 . 1 1 38 38 SER H H 1 9.38 .01 . 1 . . . . . . . . 1729 1 225 . 1 1 38 38 SER HA H 1 4.86 .01 . 1 . . . . . . . . 1729 1 226 . 1 1 38 38 SER HB2 H 1 3.96 .01 . 2 . . . . . . . . 1729 1 227 . 1 1 38 38 SER HB3 H 1 4 .01 . 2 . . . . . . . . 1729 1 228 . 1 1 39 39 GLY H H 1 8.16 .01 . 1 . . . . . . . . 1729 1 229 . 1 1 39 39 GLY HA2 H 1 3.85 .01 . 2 . . . . . . . . 1729 1 230 . 1 1 39 39 GLY HA3 H 1 4.84 .01 . 2 . . . . . . . . 1729 1 231 . 1 1 40 40 ASP H H 1 9.3 .01 . 1 . . . . . . . . 1729 1 232 . 1 1 40 40 ASP HA H 1 4.45 .01 . 1 . . . . . . . . 1729 1 233 . 1 1 40 40 ASP HB2 H 1 3.18 .01 . 1 . . . . . . . . 1729 1 234 . 1 1 40 40 ASP HB3 H 1 3.18 .01 . 1 . . . . . . . . 1729 1 235 . 1 1 41 41 ARG H H 1 8.81 .01 . 1 . . . . . . . . 1729 1 236 . 1 1 41 41 ARG HA H 1 4.72 .01 . 1 . . . . . . . . 1729 1 237 . 1 1 41 41 ARG HB2 H 1 1.08 .01 . 2 . . . . . . . . 1729 1 238 . 1 1 41 41 ARG HB3 H 1 1.3 .01 . 2 . . . . . . . . 1729 1 239 . 1 1 41 41 ARG HG2 H 1 .49 .01 . 2 . . . . . . . . 1729 1 240 . 1 1 41 41 ARG HG3 H 1 2.37 .01 . 2 . . . . . . . . 1729 1 241 . 1 1 41 41 ARG HD2 H 1 2.81 .01 . 2 . . . . . . . . 1729 1 242 . 1 1 41 41 ARG HD3 H 1 2.96 .01 . 2 . . . . . . . . 1729 1 243 . 1 1 41 41 ARG HE H 1 7.57 .01 . 1 . . . . . . . . 1729 1 244 . 1 1 42 42 CYS H H 1 7.3 .01 . 1 . . . . . . . . 1729 1 245 . 1 1 42 42 CYS HA H 1 4.1 .01 . 1 . . . . . . . . 1729 1 246 . 1 1 42 42 CYS HB2 H 1 3.2 .01 . 2 . . . . . . . . 1729 1 247 . 1 1 42 42 CYS HB3 H 1 3.64 .01 . 2 . . . . . . . . 1729 1 248 . 1 1 43 43 GLN H H 1 10 .01 . 1 . . . . . . . . 1729 1 249 . 1 1 43 43 GLN HA H 1 4.05 .01 . 1 . . . . . . . . 1729 1 250 . 1 1 43 43 GLN HB2 H 1 1.83 .01 . 2 . . . . . . . . 1729 1 251 . 1 1 43 43 GLN HB3 H 1 2.23 .01 . 2 . . . . . . . . 1729 1 252 . 1 1 43 43 GLN HG2 H 1 2.62 .01 . 2 . . . . . . . . 1729 1 253 . 1 1 43 43 GLN HG3 H 1 2.68 .01 . 2 . . . . . . . . 1729 1 254 . 1 1 43 43 GLN HE21 H 1 6.84 .01 . 2 . . . . . . . . 1729 1 255 . 1 1 43 43 GLN HE22 H 1 7.67 .01 . 2 . . . . . . . . 1729 1 256 . 1 1 44 44 THR H H 1 8.88 .01 . 1 . . . . . . . . 1729 1 257 . 1 1 44 44 THR HA H 1 4.46 .01 . 1 . . . . . . . . 1729 1 258 . 1 1 44 44 THR HB H 1 3.88 .01 . 1 . . . . . . . . 1729 1 259 . 1 1 44 44 THR HG21 H 1 1.11 .01 . 1 . . . . . . . . 1729 1 260 . 1 1 44 44 THR HG22 H 1 1.11 .01 . 1 . . . . . . . . 1729 1 261 . 1 1 44 44 THR HG23 H 1 1.11 .01 . 1 . . . . . . . . 1729 1 262 . 1 1 45 45 ARG H H 1 8.76 .01 . 1 . . . . . . . . 1729 1 263 . 1 1 45 45 ARG HA H 1 4.18 .01 . 1 . . . . . . . . 1729 1 264 . 1 1 45 45 ARG HB2 H 1 1.64 .01 . 2 . . . . . . . . 1729 1 265 . 1 1 45 45 ARG HB3 H 1 1.69 .01 . 2 . . . . . . . . 1729 1 266 . 1 1 45 45 ARG HG2 H 1 1.22 .01 . 1 . . . . . . . . 1729 1 267 . 1 1 45 45 ARG HG3 H 1 1.22 .01 . 1 . . . . . . . . 1729 1 268 . 1 1 45 45 ARG HD2 H 1 2.73 .01 . 1 . . . . . . . . 1729 1 269 . 1 1 45 45 ARG HD3 H 1 2.73 .01 . 1 . . . . . . . . 1729 1 270 . 1 1 45 45 ARG HE H 1 6.68 .01 . 1 . . . . . . . . 1729 1 271 . 1 1 45 45 ARG HH11 H 1 6.32 .01 . 1 . . . . . . . . 1729 1 272 . 1 1 45 45 ARG HH12 H 1 6.32 .01 . 1 . . . . . . . . 1729 1 273 . 1 1 45 45 ARG HH21 H 1 6.32 .01 . 1 . . . . . . . . 1729 1 274 . 1 1 45 45 ARG HH22 H 1 6.32 .01 . 1 . . . . . . . . 1729 1 275 . 1 1 46 46 ASP H H 1 8.56 .01 . 1 . . . . . . . . 1729 1 276 . 1 1 46 46 ASP HA H 1 4.69 .01 . 1 . . . . . . . . 1729 1 277 . 1 1 46 46 ASP HB2 H 1 2.62 .01 . 2 . . . . . . . . 1729 1 278 . 1 1 46 46 ASP HB3 H 1 2.86 .01 . 2 . . . . . . . . 1729 1 279 . 1 1 47 47 LEU H H 1 8.2 .01 . 1 . . . . . . . . 1729 1 280 . 1 1 47 47 LEU HA H 1 4.22 .01 . 1 . . . . . . . . 1729 1 281 . 1 1 47 47 LEU HB2 H 1 1.54 .01 . 1 . . . . . . . . 1729 1 282 . 1 1 47 47 LEU HB3 H 1 1.54 .01 . 1 . . . . . . . . 1729 1 283 . 1 1 47 47 LEU HG H 1 1.66 .01 . 1 . . . . . . . . 1729 1 284 . 1 1 47 47 LEU HD11 H 1 .86 .01 . 2 . . . . . . . . 1729 1 285 . 1 1 47 47 LEU HD12 H 1 .86 .01 . 2 . . . . . . . . 1729 1 286 . 1 1 47 47 LEU HD13 H 1 .86 .01 . 2 . . . . . . . . 1729 1 287 . 1 1 47 47 LEU HD21 H 1 .95 .01 . 2 . . . . . . . . 1729 1 288 . 1 1 47 47 LEU HD22 H 1 .95 .01 . 2 . . . . . . . . 1729 1 289 . 1 1 47 47 LEU HD23 H 1 .95 .01 . 2 . . . . . . . . 1729 1 290 . 1 1 48 48 ARG H H 1 8.2 .01 . 1 . . . . . . . . 1729 1 291 . 1 1 48 48 ARG HA H 1 3.85 .01 . 1 . . . . . . . . 1729 1 292 . 1 1 48 48 ARG HB2 H 1 1.52 .01 . 1 . . . . . . . . 1729 1 293 . 1 1 48 48 ARG HB3 H 1 1.52 .01 . 1 . . . . . . . . 1729 1 294 . 1 1 48 48 ARG HG2 H 1 1.44 .01 . 1 . . . . . . . . 1729 1 295 . 1 1 48 48 ARG HG3 H 1 1.44 .01 . 1 . . . . . . . . 1729 1 296 . 1 1 48 48 ARG HD2 H 1 3.1 .01 . 1 . . . . . . . . 1729 1 297 . 1 1 48 48 ARG HD3 H 1 3.1 .01 . 1 . . . . . . . . 1729 1 298 . 1 1 48 48 ARG HE H 1 7.11 .01 . 1 . . . . . . . . 1729 1 299 . 1 1 49 49 TRP H H 1 7.59 .01 . 1 . . . . . . . . 1729 1 300 . 1 1 49 49 TRP HA H 1 4.24 .01 . 1 . . . . . . . . 1729 1 301 . 1 1 49 49 TRP HB2 H 1 3.17 .01 . 2 . . . . . . . . 1729 1 302 . 1 1 49 49 TRP HB3 H 1 3.27 .01 . 2 . . . . . . . . 1729 1 303 . 1 1 49 49 TRP HD1 H 1 7.01 .01 . 1 . . . . . . . . 1729 1 304 . 1 1 49 49 TRP HE1 H 1 10.09 .01 . 1 . . . . . . . . 1729 1 305 . 1 1 49 49 TRP HE3 H 1 7.07 .01 . 1 . . . . . . . . 1729 1 306 . 1 1 49 49 TRP HZ2 H 1 7.41 .01 . 1 . . . . . . . . 1729 1 307 . 1 1 49 49 TRP HZ3 H 1 6.7 .01 . 1 . . . . . . . . 1729 1 308 . 1 1 49 49 TRP HH2 H 1 7.12 .01 . 1 . . . . . . . . 1729 1 309 . 1 1 50 50 TRP H H 1 7.16 .01 . 1 . . . . . . . . 1729 1 310 . 1 1 50 50 TRP HA H 1 4.27 .01 . 1 . . . . . . . . 1729 1 311 . 1 1 50 50 TRP HB2 H 1 2.89 .01 . 2 . . . . . . . . 1729 1 312 . 1 1 50 50 TRP HB3 H 1 3.12 .01 . 2 . . . . . . . . 1729 1 313 . 1 1 50 50 TRP HD1 H 1 7.1 .01 . 1 . . . . . . . . 1729 1 314 . 1 1 50 50 TRP HE1 H 1 10 .01 . 1 . . . . . . . . 1729 1 315 . 1 1 50 50 TRP HE3 H 1 7.16 .01 . 1 . . . . . . . . 1729 1 316 . 1 1 50 50 TRP HZ2 H 1 7.43 .01 . 1 . . . . . . . . 1729 1 317 . 1 1 50 50 TRP HZ3 H 1 7.1 .01 . 1 . . . . . . . . 1729 1 318 . 1 1 50 50 TRP HH2 H 1 7.24 .01 . 1 . . . . . . . . 1729 1 319 . 1 1 51 51 GLU H H 1 7.65 .01 . 1 . . . . . . . . 1729 1 320 . 1 1 51 51 GLU HA H 1 4.23 .01 . 1 . . . . . . . . 1729 1 321 . 1 1 51 51 GLU HB2 H 1 1.87 .01 . 2 . . . . . . . . 1729 1 322 . 1 1 51 51 GLU HB3 H 1 2.03 .01 . 2 . . . . . . . . 1729 1 323 . 1 1 51 51 GLU HG2 H 1 2.18 .01 . 2 . . . . . . . . 1729 1 324 . 1 1 51 51 GLU HG3 H 1 2.27 .01 . 2 . . . . . . . . 1729 1 325 . 1 1 52 52 LEU H H 1 7.66 .01 . 1 . . . . . . . . 1729 1 326 . 1 1 52 52 LEU HA H 1 4.3 .01 . 1 . . . . . . . . 1729 1 327 . 1 1 52 52 LEU HB2 H 1 1.6 .01 . 1 . . . . . . . . 1729 1 328 . 1 1 52 52 LEU HB3 H 1 1.6 .01 . 1 . . . . . . . . 1729 1 329 . 1 1 52 52 LEU HG H 1 1.64 .01 . 1 . . . . . . . . 1729 1 330 . 1 1 52 52 LEU HD11 H 1 .85 .01 . 2 . . . . . . . . 1729 1 331 . 1 1 52 52 LEU HD12 H 1 .85 .01 . 2 . . . . . . . . 1729 1 332 . 1 1 52 52 LEU HD13 H 1 .85 .01 . 2 . . . . . . . . 1729 1 333 . 1 1 52 52 LEU HD21 H 1 .89 .01 . 2 . . . . . . . . 1729 1 334 . 1 1 52 52 LEU HD22 H 1 .89 .01 . 2 . . . . . . . . 1729 1 335 . 1 1 52 52 LEU HD23 H 1 .89 .01 . 2 . . . . . . . . 1729 1 336 . 1 1 53 53 ARG H H 1 7.99 .01 . 1 . . . . . . . . 1729 1 337 . 1 1 53 53 ARG HA H 1 4.29 .01 . 1 . . . . . . . . 1729 1 338 . 1 1 53 53 ARG HB2 H 1 1.87 .01 . 2 . . . . . . . . 1729 1 339 . 1 1 53 53 ARG HB3 H 1 1.7 .01 . 2 . . . . . . . . 1729 1 340 . 1 1 53 53 ARG HG2 H 1 1.52 .01 . 1 . . . . . . . . 1729 1 341 . 1 1 53 53 ARG HG3 H 1 1.52 .01 . 1 . . . . . . . . 1729 1 342 . 1 1 53 53 ARG HD2 H 1 2.99 .01 . 1 . . . . . . . . 1729 1 343 . 1 1 53 53 ARG HD3 H 1 2.99 .01 . 1 . . . . . . . . 1729 1 344 . 1 1 53 53 ARG HE H 1 7.03 .01 . 1 . . . . . . . . 1729 1 stop_ save_