data_4303 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4303 _Entry.Title ; Chemical Shift Assignment of Rb. sphearoides LH1b ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-02-03 _Entry.Accession_date 1999-02-03 _Entry.Last_release_date 2000-12-14 _Entry.Original_release_date 2000-12-14 _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 Matthew Conroy . J . 4303 2 Willem Westerhuis . H.J. . 4303 3 Pamela Parkes-Loach . S . 4303 4 Paul Loach . A . 4303 5 C Hunter . Neil . 4303 6 Micheal Williamson . P . 4303 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4303 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 342 4303 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2000-12-14 1999-02-03 original author . 4303 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4303 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation ; Conroy, M. J., Westerhuis, W.H.J., Parkes-Loach, P. S., Loach, P. A., Hunter, C. N., and Williamson, M. P., "The Solution Structure of Rhodobacter sphaeroides LH1beta Reveals Two Helical Domains Separated by a More Flexible Region: Structural Consequences for the LH1 Complex," J. Mol. Biol. 298, 83-94 (2000). ; _Citation.Title ; The Solution Structure of Rhodobacter sphaeroides LH1beta Reveals Two Helical Domains Separated by a More Flexible Region: Structural Consequences for the LH1 Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'Journal of Molecular Biology' _Citation.Journal_volume 298 _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 83 _Citation.Page_last 94 _Citation.Year 2000 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Matthew Conroy . J . 4303 1 2 Willem Westerhuis . H.J. . 4303 1 3 Pamela Parkes-Loach . S . 4303 1 4 Paul Loach . A . 4303 1 5 C. Hunter . Neil . 4303 1 6 Micheal Williamson . P . 4303 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'membrane protein' 4303 1 photosynthesis 4303 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_LH1_beta _Assembly.Sf_category assembly _Assembly.Sf_framecode LH1_beta _Assembly.Entry_ID 4303 _Assembly.ID 1 _Assembly.Name LH1b _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 . _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 4303 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 'LH1 beta' 1 $LH1b . . . native . . . . . 4303 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID LH1b system 4303 1 'LH1 beta' abbreviation 4303 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'light harvesting complex component' 4303 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LH1b _Entity.Sf_category entity _Entity.Sf_framecode LH1b _Entity.Entry_ID 4303 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'LH1 beta' _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 ; ADKSDLGYTGLTDEQAQELH SVYMSGLWLFSAVAIVAHLA VYIWRPWF ; _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 48 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5455 _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 4616 . "Light-harvesting protein b-875, beta chain" . . . . . 100.00 48 100.00 100.00 1.31e-25 . . . . 4303 1 2 no PDB 1DX7 . "Light-Harvesting Complex 1 Beta Subunit From Rhodobacter Sphaeroides" . . . . . 100.00 48 100.00 100.00 1.31e-25 . . . . 4303 1 3 no PDB 1JO5 . "Rhodobacter Sphaeroides Light Harvesting 1 Beta Subunit In Detergent Micelles" . . . . . 97.92 48 100.00 100.00 5.28e-25 . . . . 4303 1 4 no PDB 4JC9 . "Rc-lh1-pufx Dimer Complex From Rhodobacter Sphaeroides" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 5 no PDB 4JCB . "Rc-lh1-pufx Dimer Complex From Rhodobacter Sphaeroides" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 6 no EMBL CAB38752 . "light harvesting 1 b(B850b) polypeptide [Rhodobacter sphaeroides]" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 7 no GB AAA26166 . "light harvesting protein B875-beta [Rhodobacter sphaeroides]" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 8 no GB AAF24302 . "PufB [Rhodobacter sphaeroides]" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 9 no GB ABA79431 . "LHI beta, Light-harvesting B875 subunit [Rhodobacter sphaeroides 2.4.1]" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 10 no GB ABN77006 . "antenna complex, alpha/beta subunit [Rhodobacter sphaeroides ATCC 17029]" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 11 no GB ABP70923 . "antenna complex, alpha/beta subunit [Rhodobacter sphaeroides ATCC 17025]" . . . . . 100.00 60 100.00 100.00 1.97e-25 . . . . 4303 1 12 no PRF 1106174A . "protein B875 beta" . . . . . 100.00 48 100.00 100.00 1.31e-25 . . . . 4303 1 13 no REF WP_002720423 . "MULTISPECIES: light-harvesting protein B-875 subunit beta [Rhodobacter]" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 14 no REF YP_353332 . "LHI beta, Light-harvesting B875 subunit [Rhodobacter sphaeroides 2.4.1]" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 15 no SP P0C0Y1 . "RecName: Full=Light-harvesting protein B-875 beta chain; AltName: Full=Antenna pigment protein beta chain; AltName: Full=LH-3A" . . . . . 100.00 49 97.92 97.92 1.16e-24 . . . . 4303 1 16 no SP Q3J1A3 . "RecName: Full=Light-harvesting protein B-875 beta chain; AltName: Full=Antenna pigment protein beta chain; AltName: Full=LH-3A" . . . . . 100.00 49 100.00 100.00 1.12e-25 . . . . 4303 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID LH1b abbreviation 4303 1 'LH1 beta' common 4303 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 . ALA . 4303 1 2 . ASP . 4303 1 3 . LYS . 4303 1 4 . SER . 4303 1 5 . ASP . 4303 1 6 . LEU . 4303 1 7 . GLY . 4303 1 8 . TYR . 4303 1 9 . THR . 4303 1 10 . GLY . 4303 1 11 . LEU . 4303 1 12 . THR . 4303 1 13 . ASP . 4303 1 14 . GLU . 4303 1 15 . GLN . 4303 1 16 . ALA . 4303 1 17 . GLN . 4303 1 18 . GLU . 4303 1 19 . LEU . 4303 1 20 . HIS . 4303 1 21 . SER . 4303 1 22 . VAL . 4303 1 23 . TYR . 4303 1 24 . MET . 4303 1 25 . SER . 4303 1 26 . GLY . 4303 1 27 . LEU . 4303 1 28 . TRP . 4303 1 29 . LEU . 4303 1 30 . PHE . 4303 1 31 . SER . 4303 1 32 . ALA . 4303 1 33 . VAL . 4303 1 34 . ALA . 4303 1 35 . ILE . 4303 1 36 . VAL . 4303 1 37 . ALA . 4303 1 38 . HIS . 4303 1 39 . LEU . 4303 1 40 . ALA . 4303 1 41 . VAL . 4303 1 42 . TYR . 4303 1 43 . ILE . 4303 1 44 . TRP . 4303 1 45 . ARG . 4303 1 46 . PRO . 4303 1 47 . TRP . 4303 1 48 . PHE . 4303 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 . ALA 1 1 4303 1 . ASP 2 2 4303 1 . LYS 3 3 4303 1 . SER 4 4 4303 1 . ASP 5 5 4303 1 . LEU 6 6 4303 1 . GLY 7 7 4303 1 . TYR 8 8 4303 1 . THR 9 9 4303 1 . GLY 10 10 4303 1 . LEU 11 11 4303 1 . THR 12 12 4303 1 . ASP 13 13 4303 1 . GLU 14 14 4303 1 . GLN 15 15 4303 1 . ALA 16 16 4303 1 . GLN 17 17 4303 1 . GLU 18 18 4303 1 . LEU 19 19 4303 1 . HIS 20 20 4303 1 . SER 21 21 4303 1 . VAL 22 22 4303 1 . TYR 23 23 4303 1 . MET 24 24 4303 1 . SER 25 25 4303 1 . GLY 26 26 4303 1 . LEU 27 27 4303 1 . TRP 28 28 4303 1 . LEU 29 29 4303 1 . PHE 30 30 4303 1 . SER 31 31 4303 1 . ALA 32 32 4303 1 . VAL 33 33 4303 1 . ALA 34 34 4303 1 . ILE 35 35 4303 1 . VAL 36 36 4303 1 . ALA 37 37 4303 1 . HIS 38 38 4303 1 . LEU 39 39 4303 1 . ALA 40 40 4303 1 . VAL 41 41 4303 1 . TYR 42 42 4303 1 . ILE 43 43 4303 1 . TRP 44 44 4303 1 . ARG 45 45 4303 1 . PRO 46 46 4303 1 . TRP 47 47 4303 1 . PHE 48 48 4303 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 4303 _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 $LH1b . 1063 . . 'Rhodobacter sphaeroides' 'Rhodobacter sphaeroides' . . Eubacteria . Rhodobacter sphaeroides . . . . . . . . . . . . . . . . . . . . . 4303 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 4303 _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 $LH1b . 'recombinant technology' . 'Rhodobacter sphaeroides' . . . . . . . . . . . . . . . . . . . . . . . . 'Overexpressed in natural host organism' . . 4303 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4303 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Solvent is 1:1 (v/v) chloroform-d:methanol-d3' _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 'LH1 beta' . . . 1 $LH1b . . . 0.5 1.5 mM . . . . 4303 1 2 chloroform . . . . . . . 50 . . '% v/v' . . . . 4303 1 3 methanol-d3 . . . . . . . 50 . . '% v/v' . . . . 4303 1 stop_ save_ ####################### # Sample conditions # ####################### save_condition_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode condition_1 _Sample_condition_list.Entry_ID 4303 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; Solution of 1:1 (v/v) CdCl3:Cd3OH. Lyophilised protein was first dissolved in trifluoroacetic acid and dried under argon before dissolving in this solvent system ; 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 . . n/a 4303 1 temperature 293 1 K 4303 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 4303 _Software.ID 1 _Software.Name FELIX _Software.Version 97 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 4303 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4303 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 500 . . . 4303 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 4303 _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 COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4303 1 2 NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4303 1 3 TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4303 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 4303 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name COSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4303 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4303 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # 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 4303 _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 TMS 'methyl protons' . . . . ppm 0.00 internal direct . internal . . . . . . . . 4303 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4303 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $condition_1 _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 . 4303 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 2 2 ASP H H 1 8.60 0.01 . 1 . . . . . . . . 4303 1 2 . 1 1 2 2 ASP HA H 1 4.81 0.01 . 1 . . . . . . . . 4303 1 3 . 1 1 2 2 ASP HB2 H 1 3.19 0.01 . 2 . . . . . . . . 4303 1 4 . 1 1 2 2 ASP HB3 H 1 3.00 0.01 . 2 . . . . . . . . 4303 1 5 . 1 1 3 3 LYS H H 1 8.79 0.01 . 1 . . . . . . . . 4303 1 6 . 1 1 3 3 LYS HA H 1 4.12 0.01 . 1 . . . . . . . . 4303 1 7 . 1 1 3 3 LYS HB2 H 1 1.91 0.01 . 1 . . . . . . . . 4303 1 8 . 1 1 3 3 LYS HB3 H 1 1.91 0.01 . 1 . . . . . . . . 4303 1 9 . 1 1 3 3 LYS HG2 H 1 1.62 0.01 . 2 . . . . . . . . 4303 1 10 . 1 1 3 3 LYS HG3 H 1 1.51 0.01 . 2 . . . . . . . . 4303 1 11 . 1 1 3 3 LYS HD2 H 1 1.24 0.01 . 1 . . . . . . . . 4303 1 12 . 1 1 3 3 LYS HD3 H 1 1.24 0.01 . 1 . . . . . . . . 4303 1 13 . 1 1 3 3 LYS HE2 H 1 2.97 0.01 . 1 . . . . . . . . 4303 1 14 . 1 1 3 3 LYS HE3 H 1 2.97 0.01 . 1 . . . . . . . . 4303 1 15 . 1 1 3 3 LYS HZ1 H 1 7.94 0.01 . 1 . . . . . . . . 4303 1 16 . 1 1 3 3 LYS HZ2 H 1 7.94 0.01 . 1 . . . . . . . . 4303 1 17 . 1 1 3 3 LYS HZ3 H 1 7.94 0.01 . 1 . . . . . . . . 4303 1 18 . 1 1 4 4 SER H H 1 8.22 0.01 . 1 . . . . . . . . 4303 1 19 . 1 1 4 4 SER HA H 1 4.31 0.01 . 1 . . . . . . . . 4303 1 20 . 1 1 4 4 SER HB2 H 1 4.02 0.01 . 2 . . . . . . . . 4303 1 21 . 1 1 4 4 SER HB3 H 1 3.93 0.01 . 2 . . . . . . . . 4303 1 22 . 1 1 5 5 ASP H H 1 8.14 0.01 . 1 . . . . . . . . 4303 1 23 . 1 1 5 5 ASP HA H 1 4.66 0.01 . 1 . . . . . . . . 4303 1 24 . 1 1 5 5 ASP HB2 H 1 3.06 0.01 . 2 . . . . . . . . 4303 1 25 . 1 1 5 5 ASP HB3 H 1 2.97 0.01 . 2 . . . . . . . . 4303 1 26 . 1 1 6 6 LEU H H 1 8.04 0.01 . 1 . . . . . . . . 4303 1 27 . 1 1 6 6 LEU HA H 1 4.19 0.01 . 1 . . . . . . . . 4303 1 28 . 1 1 6 6 LEU HB2 H 1 1.88 0.01 . 1 . . . . . . . . 4303 1 29 . 1 1 6 6 LEU HB3 H 1 1.88 0.01 . 1 . . . . . . . . 4303 1 30 . 1 1 6 6 LEU HG H 1 1.72 0.01 . 1 . . . . . . . . 4303 1 31 . 1 1 6 6 LEU HD11 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 32 . 1 1 6 6 LEU HD12 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 33 . 1 1 6 6 LEU HD13 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 34 . 1 1 6 6 LEU HD21 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 35 . 1 1 6 6 LEU HD22 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 36 . 1 1 6 6 LEU HD23 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 37 . 1 1 7 7 GLY H H 1 8.41 0.01 . 1 . . . . . . . . 4303 1 38 . 1 1 7 7 GLY HA2 H 1 3.88 0.01 . 1 . . . . . . . . 4303 1 39 . 1 1 7 7 GLY HA3 H 1 3.88 0.01 . 1 . . . . . . . . 4303 1 40 . 1 1 8 8 TYR H H 1 8.36 0.01 . 1 . . . . . . . . 4303 1 41 . 1 1 8 8 TYR HA H 1 4.32 0.01 . 1 . . . . . . . . 4303 1 42 . 1 1 8 8 TYR HB2 H 1 3.16 0.01 . 1 . . . . . . . . 4303 1 43 . 1 1 8 8 TYR HB3 H 1 3.16 0.01 . 1 . . . . . . . . 4303 1 44 . 1 1 8 8 TYR HD1 H 1 7.09 0.01 . 1 . . . . . . . . 4303 1 45 . 1 1 8 8 TYR HD2 H 1 7.09 0.01 . 1 . . . . . . . . 4303 1 46 . 1 1 8 8 TYR HE1 H 1 6.76 0.01 . 1 . . . . . . . . 4303 1 47 . 1 1 8 8 TYR HE2 H 1 6.76 0.01 . 1 . . . . . . . . 4303 1 48 . 1 1 9 9 THR H H 1 8.22 0.01 . 1 . . . . . . . . 4303 1 49 . 1 1 9 9 THR HA H 1 3.94 0.01 . 1 . . . . . . . . 4303 1 50 . 1 1 9 9 THR HB H 1 4.35 0.01 . 1 . . . . . . . . 4303 1 51 . 1 1 9 9 THR HG21 H 1 1.34 0.01 . 1 . . . . . . . . 4303 1 52 . 1 1 9 9 THR HG22 H 1 1.34 0.01 . 1 . . . . . . . . 4303 1 53 . 1 1 9 9 THR HG23 H 1 1.34 0.01 . 1 . . . . . . . . 4303 1 54 . 1 1 10 10 GLY H H 1 8.43 0.01 . 1 . . . . . . . . 4303 1 55 . 1 1 10 10 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 4303 1 56 . 1 1 10 10 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 4303 1 57 . 1 1 11 11 LEU H H 1 8.23 0.01 . 1 . . . . . . . . 4303 1 58 . 1 1 11 11 LEU HA H 1 4.18 0.01 . 1 . . . . . . . . 4303 1 59 . 1 1 11 11 LEU HB2 H 1 1.70 0.01 . 1 . . . . . . . . 4303 1 60 . 1 1 11 11 LEU HB3 H 1 1.70 0.01 . 1 . . . . . . . . 4303 1 61 . 1 1 11 11 LEU HG H 1 1.80 0.01 . 1 . . . . . . . . 4303 1 62 . 1 1 11 11 LEU HD11 H 1 0.96 0.01 . 1 . . . . . . . . 4303 1 63 . 1 1 11 11 LEU HD12 H 1 0.96 0.01 . 1 . . . . . . . . 4303 1 64 . 1 1 11 11 LEU HD13 H 1 0.96 0.01 . 1 . . . . . . . . 4303 1 65 . 1 1 11 11 LEU HD21 H 1 0.96 0.01 . 1 . . . . . . . . 4303 1 66 . 1 1 11 11 LEU HD22 H 1 0.96 0.01 . 1 . . . . . . . . 4303 1 67 . 1 1 11 11 LEU HD23 H 1 0.96 0.01 . 1 . . . . . . . . 4303 1 68 . 1 1 12 12 THR H H 1 8.09 0.01 . 1 . . . . . . . . 4303 1 69 . 1 1 12 12 THR HA H 1 3.92 0.01 . 1 . . . . . . . . 4303 1 70 . 1 1 12 12 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 4303 1 71 . 1 1 12 12 THR HG21 H 1 1.23 0.01 . 1 . . . . . . . . 4303 1 72 . 1 1 12 12 THR HG22 H 1 1.23 0.01 . 1 . . . . . . . . 4303 1 73 . 1 1 12 12 THR HG23 H 1 1.23 0.01 . 1 . . . . . . . . 4303 1 74 . 1 1 13 13 ASP H H 1 8.42 0.01 . 1 . . . . . . . . 4303 1 75 . 1 1 13 13 ASP HA H 1 4.46 0.01 . 1 . . . . . . . . 4303 1 76 . 1 1 13 13 ASP HB2 H 1 3.14 0.01 . 2 . . . . . . . . 4303 1 77 . 1 1 13 13 ASP HB3 H 1 2.91 0.01 . 2 . . . . . . . . 4303 1 78 . 1 1 14 14 GLU H H 1 8.43 0.01 . 1 . . . . . . . . 4303 1 79 . 1 1 14 14 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 4303 1 80 . 1 1 14 14 GLU HB2 H 1 2.35 0.01 . 2 . . . . . . . . 4303 1 81 . 1 1 14 14 GLU HB3 H 1 2.25 0.01 . 2 . . . . . . . . 4303 1 82 . 1 1 14 14 GLU HG2 H 1 2.66 0.01 . 2 . . . . . . . . 4303 1 83 . 1 1 14 14 GLU HG3 H 1 2.46 0.01 . 2 . . . . . . . . 4303 1 84 . 1 1 15 15 GLN H H 1 8.45 0.01 . 1 . . . . . . . . 4303 1 85 . 1 1 15 15 GLN HA H 1 4.08 0.01 . 1 . . . . . . . . 4303 1 86 . 1 1 15 15 GLN HB2 H 1 2.38 0.01 . 2 . . . . . . . . 4303 1 87 . 1 1 15 15 GLN HB3 H 1 2.22 0.01 . 2 . . . . . . . . 4303 1 88 . 1 1 15 15 GLN HG2 H 1 2.58 0.01 . 1 . . . . . . . . 4303 1 89 . 1 1 15 15 GLN HG3 H 1 2.58 0.01 . 1 . . . . . . . . 4303 1 90 . 1 1 16 16 ALA H H 1 8.58 0.01 . 1 . . . . . . . . 4303 1 91 . 1 1 16 16 ALA HA H 1 4.06 0.01 . 1 . . . . . . . . 4303 1 92 . 1 1 16 16 ALA HB1 H 1 1.61 0.01 . 1 . . . . . . . . 4303 1 93 . 1 1 16 16 ALA HB2 H 1 1.61 0.01 . 1 . . . . . . . . 4303 1 94 . 1 1 16 16 ALA HB3 H 1 1.61 0.01 . 1 . . . . . . . . 4303 1 95 . 1 1 17 17 GLN H H 1 8.37 0.01 . 1 . . . . . . . . 4303 1 96 . 1 1 17 17 GLN HA H 1 4.18 0.01 . 1 . . . . . . . . 4303 1 97 . 1 1 17 17 GLN HB2 H 1 2.32 0.01 . 1 . . . . . . . . 4303 1 98 . 1 1 17 17 GLN HB3 H 1 2.32 0.01 . 1 . . . . . . . . 4303 1 99 . 1 1 17 17 GLN HG2 H 1 2.52 0.01 . 1 . . . . . . . . 4303 1 100 . 1 1 17 17 GLN HG3 H 1 2.52 0.01 . 1 . . . . . . . . 4303 1 101 . 1 1 18 18 GLU H H 1 8.56 0.01 . 1 . . . . . . . . 4303 1 102 . 1 1 18 18 GLU HA H 1 4.11 0.01 . 1 . . . . . . . . 4303 1 103 . 1 1 18 18 GLU HB2 H 1 2.43 0.01 . 2 . . . . . . . . 4303 1 104 . 1 1 18 18 GLU HB3 H 1 2.26 0.01 . 2 . . . . . . . . 4303 1 105 . 1 1 18 18 GLU HG2 H 1 2.68 0.01 . 1 . . . . . . . . 4303 1 106 . 1 1 18 18 GLU HG3 H 1 2.68 0.01 . 1 . . . . . . . . 4303 1 107 . 1 1 19 19 LEU H H 1 8.58 0.01 . 1 . . . . . . . . 4303 1 108 . 1 1 19 19 LEU HA H 1 4.07 0.01 . 1 . . . . . . . . 4303 1 109 . 1 1 19 19 LEU HB2 H 1 1.92 0.01 . 2 . . . . . . . . 4303 1 110 . 1 1 19 19 LEU HB3 H 1 1.71 0.01 . 2 . . . . . . . . 4303 1 111 . 1 1 19 19 LEU HG H 1 1.86 0.01 . 1 . . . . . . . . 4303 1 112 . 1 1 19 19 LEU HD11 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 113 . 1 1 19 19 LEU HD12 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 114 . 1 1 19 19 LEU HD13 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 115 . 1 1 19 19 LEU HD21 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 116 . 1 1 19 19 LEU HD22 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 117 . 1 1 19 19 LEU HD23 H 1 0.99 0.01 . 1 . . . . . . . . 4303 1 118 . 1 1 20 20 HIS H H 1 8.56 0.01 . 1 . . . . . . . . 4303 1 119 . 1 1 20 20 HIS HA H 1 4.38 0.01 . 1 . . . . . . . . 4303 1 120 . 1 1 20 20 HIS HB2 H 1 3.54 0.01 . 2 . . . . . . . . 4303 1 121 . 1 1 20 20 HIS HB3 H 1 3.48 0.01 . 2 . . . . . . . . 4303 1 122 . 1 1 20 20 HIS HD2 H 1 7.40 0.01 . 1 . . . . . . . . 4303 1 123 . 1 1 20 20 HIS HE1 H 1 8.77 0.01 . 1 . . . . . . . . 4303 1 124 . 1 1 21 21 SER H H 1 8.51 0.01 . 1 . . . . . . . . 4303 1 125 . 1 1 21 21 SER HA H 1 4.23 0.01 . 1 . . . . . . . . 4303 1 126 . 1 1 21 21 SER HB2 H 1 4.07 0.01 . 1 . . . . . . . . 4303 1 127 . 1 1 21 21 SER HB3 H 1 4.07 0.01 . 1 . . . . . . . . 4303 1 128 . 1 1 22 22 VAL H H 1 8.37 0.01 . 1 . . . . . . . . 4303 1 129 . 1 1 22 22 VAL HA H 1 3.72 0.01 . 1 . . . . . . . . 4303 1 130 . 1 1 22 22 VAL HB H 1 2.32 0.01 . 1 . . . . . . . . 4303 1 131 . 1 1 22 22 VAL HG11 H 1 1.18 0.01 . 2 . . . . . . . . 4303 1 132 . 1 1 22 22 VAL HG12 H 1 1.18 0.01 . 2 . . . . . . . . 4303 1 133 . 1 1 22 22 VAL HG13 H 1 1.18 0.01 . 2 . . . . . . . . 4303 1 134 . 1 1 22 22 VAL HG21 H 1 1.04 0.01 . 2 . . . . . . . . 4303 1 135 . 1 1 22 22 VAL HG22 H 1 1.04 0.01 . 2 . . . . . . . . 4303 1 136 . 1 1 22 22 VAL HG23 H 1 1.04 0.01 . 2 . . . . . . . . 4303 1 137 . 1 1 23 23 TYR H H 1 8.33 0.01 . 1 . . . . . . . . 4303 1 138 . 1 1 23 23 TYR HA H 1 4.28 0.01 . 1 . . . . . . . . 4303 1 139 . 1 1 23 23 TYR HB2 H 1 3.18 0.01 . 1 . . . . . . . . 4303 1 140 . 1 1 23 23 TYR HB3 H 1 3.18 0.01 . 1 . . . . . . . . 4303 1 141 . 1 1 23 23 TYR HD1 H 1 7.05 0.01 . 1 . . . . . . . . 4303 1 142 . 1 1 23 23 TYR HD2 H 1 7.05 0.01 . 1 . . . . . . . . 4303 1 143 . 1 1 23 23 TYR HE1 H 1 6.74 0.01 . 1 . . . . . . . . 4303 1 144 . 1 1 23 23 TYR HE2 H 1 6.74 0.01 . 1 . . . . . . . . 4303 1 145 . 1 1 24 24 MET H H 1 8.41 0.01 . 1 . . . . . . . . 4303 1 146 . 1 1 24 24 MET HA H 1 4.20 0.01 . 1 . . . . . . . . 4303 1 147 . 1 1 24 24 MET HB2 H 1 2.16 0.01 . 1 . . . . . . . . 4303 1 148 . 1 1 24 24 MET HB3 H 1 2.16 0.01 . 1 . . . . . . . . 4303 1 149 . 1 1 24 24 MET HG2 H 1 2.52 0.01 . 1 . . . . . . . . 4303 1 150 . 1 1 24 24 MET HG3 H 1 2.52 0.01 . 1 . . . . . . . . 4303 1 151 . 1 1 24 24 MET HE1 H 1 2.12 0.01 . 1 . . . . . . . . 4303 1 152 . 1 1 24 24 MET HE2 H 1 2.12 0.01 . 1 . . . . . . . . 4303 1 153 . 1 1 24 24 MET HE3 H 1 2.12 0.01 . 1 . . . . . . . . 4303 1 154 . 1 1 25 25 SER H H 1 8.27 0.01 . 1 . . . . . . . . 4303 1 155 . 1 1 25 25 SER HA H 1 4.33 0.01 . 1 . . . . . . . . 4303 1 156 . 1 1 25 25 SER HB2 H 1 4.05 0.01 . 2 . . . . . . . . 4303 1 157 . 1 1 25 25 SER HB3 H 1 4.21 0.01 . 2 . . . . . . . . 4303 1 158 . 1 1 26 26 GLY H H 1 8.32 0.01 . 1 . . . . . . . . 4303 1 159 . 1 1 26 26 GLY HA2 H 1 3.92 0.01 . 1 . . . . . . . . 4303 1 160 . 1 1 26 26 GLY HA3 H 1 3.92 0.01 . 1 . . . . . . . . 4303 1 161 . 1 1 27 27 LEU H H 1 8.12 0.01 . 1 . . . . . . . . 4303 1 162 . 1 1 27 27 LEU HA H 1 4.17 0.01 . 1 . . . . . . . . 4303 1 163 . 1 1 27 27 LEU HB2 H 1 1.84 0.01 . 2 . . . . . . . . 4303 1 164 . 1 1 27 27 LEU HB3 H 1 1.68 0.01 . 2 . . . . . . . . 4303 1 165 . 1 1 27 27 LEU HG H 1 2.00 0.01 . 1 . . . . . . . . 4303 1 166 . 1 1 27 27 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 4303 1 167 . 1 1 27 27 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 4303 1 168 . 1 1 27 27 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 4303 1 169 . 1 1 27 27 LEU HD21 H 1 0.93 0.01 . 1 . . . . . . . . 4303 1 170 . 1 1 27 27 LEU HD22 H 1 0.93 0.01 . 1 . . . . . . . . 4303 1 171 . 1 1 27 27 LEU HD23 H 1 0.93 0.01 . 1 . . . . . . . . 4303 1 172 . 1 1 28 28 TRP H H 1 8.47 0.01 . 1 . . . . . . . . 4303 1 173 . 1 1 28 28 TRP HA H 1 4.33 0.01 . 1 . . . . . . . . 4303 1 174 . 1 1 28 28 TRP HB2 H 1 3.58 0.01 . 2 . . . . . . . . 4303 1 175 . 1 1 28 28 TRP HB3 H 1 3.45 0.01 . 2 . . . . . . . . 4303 1 176 . 1 1 28 28 TRP HD1 H 1 7.20 0.01 . 1 . . . . . . . . 4303 1 177 . 1 1 28 28 TRP HE1 H 1 10.09 0.01 . 1 . . . . . . . . 4303 1 178 . 1 1 28 28 TRP HE3 H 1 7.60 0.01 . 1 . . . . . . . . 4303 1 179 . 1 1 28 28 TRP HZ2 H 1 7.39 0.01 . 1 . . . . . . . . 4303 1 180 . 1 1 28 28 TRP HZ3 H 1 7.08 0.01 . 1 . . . . . . . . 4303 1 181 . 1 1 28 28 TRP HH2 H 1 7.15 0.01 . 1 . . . . . . . . 4303 1 182 . 1 1 29 29 LEU H H 1 8.39 0.01 . 1 . . . . . . . . 4303 1 183 . 1 1 29 29 LEU HA H 1 4.03 0.01 . 1 . . . . . . . . 4303 1 184 . 1 1 29 29 LEU HB2 H 1 1.72 0.01 . 1 . . . . . . . . 4303 1 185 . 1 1 29 29 LEU HB3 H 1 1.72 0.01 . 1 . . . . . . . . 4303 1 186 . 1 1 29 29 LEU HG H 1 1.84 0.01 . 1 . . . . . . . . 4303 1 187 . 1 1 29 29 LEU HD11 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 188 . 1 1 29 29 LEU HD12 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 189 . 1 1 29 29 LEU HD13 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 190 . 1 1 29 29 LEU HD21 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 191 . 1 1 29 29 LEU HD22 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 192 . 1 1 29 29 LEU HD23 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 193 . 1 1 30 30 PHE H H 1 8.67 0.01 . 1 . . . . . . . . 4303 1 194 . 1 1 30 30 PHE HA H 1 4.87 0.01 . 1 . . . . . . . . 4303 1 195 . 1 1 30 30 PHE HB2 H 1 3.25 0.01 . 1 . . . . . . . . 4303 1 196 . 1 1 30 30 PHE HB3 H 1 3.25 0.01 . 1 . . . . . . . . 4303 1 197 . 1 1 30 30 PHE HD1 H 1 7.26 0.01 . 1 . . . . . . . . 4303 1 198 . 1 1 30 30 PHE HD2 H 1 7.26 0.01 . 1 . . . . . . . . 4303 1 199 . 1 1 30 30 PHE HE1 H 1 7.34 0.01 . 1 . . . . . . . . 4303 1 200 . 1 1 30 30 PHE HE2 H 1 7.34 0.01 . 1 . . . . . . . . 4303 1 201 . 1 1 31 31 SER H H 1 8.15 0.01 . 1 . . . . . . . . 4303 1 202 . 1 1 31 31 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 4303 1 203 . 1 1 31 31 SER HB2 H 1 3.86 0.01 . 1 . . . . . . . . 4303 1 204 . 1 1 31 31 SER HB3 H 1 3.86 0.01 . 1 . . . . . . . . 4303 1 205 . 1 1 32 32 ALA H H 1 8.21 0.01 . 1 . . . . . . . . 4303 1 206 . 1 1 32 32 ALA HA H 1 3.95 0.01 . 1 . . . . . . . . 4303 1 207 . 1 1 32 32 ALA HB1 H 1 1.33 0.01 . 1 . . . . . . . . 4303 1 208 . 1 1 32 32 ALA HB2 H 1 1.33 0.01 . 1 . . . . . . . . 4303 1 209 . 1 1 32 32 ALA HB3 H 1 1.33 0.01 . 1 . . . . . . . . 4303 1 210 . 1 1 33 33 VAL H H 1 8.16 0.01 . 1 . . . . . . . . 4303 1 211 . 1 1 33 33 VAL HA H 1 3.52 0.01 . 1 . . . . . . . . 4303 1 212 . 1 1 33 33 VAL HB H 1 2.17 0.01 . 1 . . . . . . . . 4303 1 213 . 1 1 33 33 VAL HG11 H 1 1.12 0.01 . 2 . . . . . . . . 4303 1 214 . 1 1 33 33 VAL HG12 H 1 1.12 0.01 . 2 . . . . . . . . 4303 1 215 . 1 1 33 33 VAL HG13 H 1 1.12 0.01 . 2 . . . . . . . . 4303 1 216 . 1 1 33 33 VAL HG21 H 1 0.97 0.01 . 2 . . . . . . . . 4303 1 217 . 1 1 33 33 VAL HG22 H 1 0.97 0.01 . 2 . . . . . . . . 4303 1 218 . 1 1 33 33 VAL HG23 H 1 0.97 0.01 . 2 . . . . . . . . 4303 1 219 . 1 1 34 34 ALA H H 1 8.17 0.01 . 1 . . . . . . . . 4303 1 220 . 1 1 34 34 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 4303 1 221 . 1 1 34 34 ALA HB1 H 1 1.43 0.01 . 1 . . . . . . . . 4303 1 222 . 1 1 34 34 ALA HB2 H 1 1.43 0.01 . 1 . . . . . . . . 4303 1 223 . 1 1 34 34 ALA HB3 H 1 1.43 0.01 . 1 . . . . . . . . 4303 1 224 . 1 1 35 35 ILE H H 1 8.36 0.01 . 1 . . . . . . . . 4303 1 225 . 1 1 35 35 ILE HA H 1 3.70 0.01 . 1 . . . . . . . . 4303 1 226 . 1 1 35 35 ILE HB H 1 2.09 0.01 . 1 . . . . . . . . 4303 1 227 . 1 1 35 35 ILE HG12 H 1 1.64 0.01 . 1 . . . . . . . . 4303 1 228 . 1 1 35 35 ILE HG13 H 1 1.64 0.01 . 1 . . . . . . . . 4303 1 229 . 1 1 35 35 ILE HG21 H 1 0.97 0.01 . 1 . . . . . . . . 4303 1 230 . 1 1 35 35 ILE HG22 H 1 0.97 0.01 . 1 . . . . . . . . 4303 1 231 . 1 1 35 35 ILE HG23 H 1 0.97 0.01 . 1 . . . . . . . . 4303 1 232 . 1 1 35 35 ILE HD11 H 1 0.88 0.01 . 1 . . . . . . . . 4303 1 233 . 1 1 35 35 ILE HD12 H 1 0.88 0.01 . 1 . . . . . . . . 4303 1 234 . 1 1 35 35 ILE HD13 H 1 0.88 0.01 . 1 . . . . . . . . 4303 1 235 . 1 1 36 36 VAL H H 1 8.27 0.01 . 1 . . . . . . . . 4303 1 236 . 1 1 36 36 VAL HA H 1 3.63 0.01 . 1 . . . . . . . . 4303 1 237 . 1 1 36 36 VAL HB H 1 2.24 0.01 . 1 . . . . . . . . 4303 1 238 . 1 1 36 36 VAL HG11 H 1 1.18 0.01 . 2 . . . . . . . . 4303 1 239 . 1 1 36 36 VAL HG12 H 1 1.18 0.01 . 2 . . . . . . . . 4303 1 240 . 1 1 36 36 VAL HG13 H 1 1.18 0.01 . 2 . . . . . . . . 4303 1 241 . 1 1 36 36 VAL HG21 H 1 1.07 0.01 . 2 . . . . . . . . 4303 1 242 . 1 1 36 36 VAL HG22 H 1 1.07 0.01 . 2 . . . . . . . . 4303 1 243 . 1 1 36 36 VAL HG23 H 1 1.07 0.01 . 2 . . . . . . . . 4303 1 244 . 1 1 37 37 ALA H H 1 8.87 0.01 . 1 . . . . . . . . 4303 1 245 . 1 1 37 37 ALA HA H 1 4.09 0.01 . 1 . . . . . . . . 4303 1 246 . 1 1 37 37 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 4303 1 247 . 1 1 37 37 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 4303 1 248 . 1 1 37 37 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 4303 1 249 . 1 1 38 38 HIS H H 1 7.93 0.01 . 1 . . . . . . . . 4303 1 250 . 1 1 38 38 HIS HA H 1 4.25 0.01 . 1 . . . . . . . . 4303 1 251 . 1 1 38 38 HIS HB2 H 1 3.40 0.01 . 2 . . . . . . . . 4303 1 252 . 1 1 38 38 HIS HB3 H 1 3.45 0.01 . 2 . . . . . . . . 4303 1 253 . 1 1 38 38 HIS HD2 H 1 7.42 0.01 . 1 . . . . . . . . 4303 1 254 . 1 1 38 38 HIS HE1 H 1 8.75 0.01 . 1 . . . . . . . . 4303 1 255 . 1 1 39 39 LEU H H 1 8.41 0.01 . 1 . . . . . . . . 4303 1 256 . 1 1 39 39 LEU HA H 1 4.20 0.01 . 1 . . . . . . . . 4303 1 257 . 1 1 39 39 LEU HB2 H 1 1.72 0.01 . 1 . . . . . . . . 4303 1 258 . 1 1 39 39 LEU HB3 H 1 1.72 0.01 . 1 . . . . . . . . 4303 1 259 . 1 1 39 39 LEU HG H 1 1.95 0.01 . 1 . . . . . . . . 4303 1 260 . 1 1 39 39 LEU HD11 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 261 . 1 1 39 39 LEU HD12 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 262 . 1 1 39 39 LEU HD13 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 263 . 1 1 39 39 LEU HD21 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 264 . 1 1 39 39 LEU HD22 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 265 . 1 1 39 39 LEU HD23 H 1 0.98 0.01 . 1 . . . . . . . . 4303 1 266 . 1 1 40 40 ALA H H 1 8.50 0.01 . 1 . . . . . . . . 4303 1 267 . 1 1 40 40 ALA HA H 1 4.10 0.01 . 1 . . . . . . . . 4303 1 268 . 1 1 40 40 ALA HB1 H 1 1.57 0.01 . 1 . . . . . . . . 4303 1 269 . 1 1 40 40 ALA HB2 H 1 1.57 0.01 . 1 . . . . . . . . 4303 1 270 . 1 1 40 40 ALA HB3 H 1 1.57 0.01 . 1 . . . . . . . . 4303 1 271 . 1 1 41 41 VAL H H 1 7.48 0.01 . 1 . . . . . . . . 4303 1 272 . 1 1 41 41 VAL HA H 1 3.82 0.01 . 1 . . . . . . . . 4303 1 273 . 1 1 41 41 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 4303 1 274 . 1 1 41 41 VAL HG11 H 1 1.06 0.01 . 2 . . . . . . . . 4303 1 275 . 1 1 41 41 VAL HG12 H 1 1.06 0.01 . 2 . . . . . . . . 4303 1 276 . 1 1 41 41 VAL HG13 H 1 1.06 0.01 . 2 . . . . . . . . 4303 1 277 . 1 1 41 41 VAL HG21 H 1 0.89 0.01 . 2 . . . . . . . . 4303 1 278 . 1 1 41 41 VAL HG22 H 1 0.89 0.01 . 2 . . . . . . . . 4303 1 279 . 1 1 41 41 VAL HG23 H 1 0.89 0.01 . 2 . . . . . . . . 4303 1 280 . 1 1 42 42 TYR H H 1 7.72 0.01 . 1 . . . . . . . . 4303 1 281 . 1 1 42 42 TYR HA H 1 4.31 0.01 . 1 . . . . . . . . 4303 1 282 . 1 1 42 42 TYR HB2 H 1 3.23 0.01 . 2 . . . . . . . . 4303 1 283 . 1 1 42 42 TYR HB3 H 1 3.08 0.01 . 2 . . . . . . . . 4303 1 284 . 1 1 42 42 TYR HD1 H 1 7.13 0.01 . 1 . . . . . . . . 4303 1 285 . 1 1 42 42 TYR HD2 H 1 7.13 0.01 . 1 . . . . . . . . 4303 1 286 . 1 1 42 42 TYR HE1 H 1 6.72 0.01 . 1 . . . . . . . . 4303 1 287 . 1 1 42 42 TYR HE2 H 1 6.72 0.01 . 1 . . . . . . . . 4303 1 288 . 1 1 43 43 ILE H H 1 7.87 0.01 . 1 . . . . . . . . 4303 1 289 . 1 1 43 43 ILE HA H 1 4.03 0.01 . 1 . . . . . . . . 4303 1 290 . 1 1 43 43 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . 4303 1 291 . 1 1 43 43 ILE HG12 H 1 1.62 0.01 . 1 . . . . . . . . 4303 1 292 . 1 1 43 43 ILE HG13 H 1 1.62 0.01 . 1 . . . . . . . . 4303 1 293 . 1 1 43 43 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 4303 1 294 . 1 1 43 43 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 4303 1 295 . 1 1 43 43 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 4303 1 296 . 1 1 43 43 ILE HD11 H 1 0.72 0.01 . 1 . . . . . . . . 4303 1 297 . 1 1 43 43 ILE HD12 H 1 0.72 0.01 . 1 . . . . . . . . 4303 1 298 . 1 1 43 43 ILE HD13 H 1 0.72 0.01 . 1 . . . . . . . . 4303 1 299 . 1 1 44 44 TRP H H 1 7.87 0.01 . 1 . . . . . . . . 4303 1 300 . 1 1 44 44 TRP HA H 1 4.62 0.01 . 1 . . . . . . . . 4303 1 301 . 1 1 44 44 TRP HB2 H 1 3.44 0.01 . 2 . . . . . . . . 4303 1 302 . 1 1 44 44 TRP HB3 H 1 3.24 0.01 . 2 . . . . . . . . 4303 1 303 . 1 1 44 44 TRP HD1 H 1 7.25 0.01 . 1 . . . . . . . . 4303 1 304 . 1 1 44 44 TRP HE1 H 1 10.05 0.01 . 1 . . . . . . . . 4303 1 305 . 1 1 44 44 TRP HE3 H 1 7.60 0.01 . 1 . . . . . . . . 4303 1 306 . 1 1 44 44 TRP HZ2 H 1 7.34 0.01 . 1 . . . . . . . . 4303 1 307 . 1 1 44 44 TRP HZ3 H 1 6.96 0.01 . 1 . . . . . . . . 4303 1 308 . 1 1 44 44 TRP HH2 H 1 7.07 0.01 . 1 . . . . . . . . 4303 1 309 . 1 1 45 45 ARG H H 1 7.46 0.01 . 1 . . . . . . . . 4303 1 310 . 1 1 45 45 ARG HA H 1 4.33 0.01 . 1 . . . . . . . . 4303 1 311 . 1 1 45 45 ARG HB2 H 1 1.43 0.01 . 1 . . . . . . . . 4303 1 312 . 1 1 45 45 ARG HB3 H 1 1.43 0.01 . 1 . . . . . . . . 4303 1 313 . 1 1 45 45 ARG HG2 H 1 1.49 0.01 . 1 . . . . . . . . 4303 1 314 . 1 1 45 45 ARG HG3 H 1 1.49 0.01 . 1 . . . . . . . . 4303 1 315 . 1 1 45 45 ARG HD2 H 1 3.14 0.01 . 2 . . . . . . . . 4303 1 316 . 1 1 45 45 ARG HD3 H 1 2.98 0.01 . 2 . . . . . . . . 4303 1 317 . 1 1 45 45 ARG HE H 1 7.15 0.01 . 1 . . . . . . . . 4303 1 318 . 1 1 46 46 PRO HA H 1 4.22 0.01 . 1 . . . . . . . . 4303 1 319 . 1 1 46 46 PRO HB2 H 1 1.72 0.01 . 2 . . . . . . . . 4303 1 320 . 1 1 46 46 PRO HB3 H 1 1.99 0.01 . 2 . . . . . . . . 4303 1 321 . 1 1 46 46 PRO HG2 H 1 1.84 0.01 . 1 . . . . . . . . 4303 1 322 . 1 1 46 46 PRO HG3 H 1 1.84 0.01 . 1 . . . . . . . . 4303 1 323 . 1 1 46 46 PRO HD2 H 1 3.32 0.01 . 1 . . . . . . . . 4303 1 324 . 1 1 46 46 PRO HD3 H 1 3.32 0.01 . 1 . . . . . . . . 4303 1 325 . 1 1 47 47 TRP H H 1 7.52 0.01 . 1 . . . . . . . . 4303 1 326 . 1 1 47 47 TRP HA H 1 4.64 0.01 . 1 . . . . . . . . 4303 1 327 . 1 1 47 47 TRP HB2 H 1 3.25 0.01 . 1 . . . . . . . . 4303 1 328 . 1 1 47 47 TRP HB3 H 1 3.25 0.01 . 1 . . . . . . . . 4303 1 329 . 1 1 47 47 TRP HD1 H 1 7.16 0.01 . 1 . . . . . . . . 4303 1 330 . 1 1 47 47 TRP HE1 H 1 10.18 0.01 . 1 . . . . . . . . 4303 1 331 . 1 1 47 47 TRP HE3 H 1 7.60 0.01 . 1 . . . . . . . . 4303 1 332 . 1 1 47 47 TRP HZ2 H 1 7.36 0.01 . 1 . . . . . . . . 4303 1 333 . 1 1 47 47 TRP HZ3 H 1 7.08 0.01 . 1 . . . . . . . . 4303 1 334 . 1 1 47 47 TRP HH2 H 1 7.15 0.01 . 1 . . . . . . . . 4303 1 335 . 1 1 48 48 PHE H H 1 7.50 0.01 . 1 . . . . . . . . 4303 1 336 . 1 1 48 48 PHE HA H 1 4.70 0.01 . 1 . . . . . . . . 4303 1 337 . 1 1 48 48 PHE HB2 H 1 3.14 0.01 . 2 . . . . . . . . 4303 1 338 . 1 1 48 48 PHE HB3 H 1 3.00 0.01 . 2 . . . . . . . . 4303 1 339 . 1 1 48 48 PHE HD1 H 1 7.23 0.01 . 1 . . . . . . . . 4303 1 340 . 1 1 48 48 PHE HD2 H 1 7.23 0.01 . 1 . . . . . . . . 4303 1 341 . 1 1 48 48 PHE HE1 H 1 7.30 0.01 . 1 . . . . . . . . 4303 1 342 . 1 1 48 48 PHE HE2 H 1 7.30 0.01 . 1 . . . . . . . . 4303 1 stop_ save_