data_6350 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6350 _Entry.Title ; 1H, 13C and 15N Chemical Shift Assignments for the LH1 Beta Polypeptide of Rhodospirillum rubrum ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-10-12 _Entry.Accession_date 2004-10-13 _Entry.Last_release_date 2005-03-17 _Entry.Original_release_date 2005-03-17 _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 Zheng-Yu Wang . . . 6350 2 Kazutaka Gokan . . . 6350 3 Masayuki Kobayashi . . . 6350 4 Tsunenori Nozawa . . . 6350 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6350 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 332 6350 '13C chemical shifts' 154 6350 '15N chemical shifts' 51 6350 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 . . 2005-03-17 2004-10-12 original author . 6350 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6349 'LH1 alpha Polypeptide' 6350 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6350 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15740753 _Citation.Full_citation . _Citation.Title ; Solution Structures of the Core Light-harvesting alpha and beta Polypeptides from Rhodospirillum rubrum: Implications for the Pigment-Protein and Protein-Protein Interactions ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 347 _Citation.Journal_issue 2 _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 465 _Citation.Page_last 477 _Citation.Year 2005 _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 Zheng-Yu Wang . . . 6350 1 2 Kazutaka Gokan . . . 6350 1 3 Masayuki Kobayashi . . . 6350 1 4 Tsunenori Nozawa . . . 6350 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_LH1_Beta _Assembly.Sf_category assembly _Assembly.Sf_framecode system_LH1_Beta _Assembly.Entry_ID 6350 _Assembly.ID 1 _Assembly.Name 'LH1 Beta polypeptide' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6350 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 $LH1_Beta . . . native . . . . . 6350 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'LH1 Beta polypeptide' system 6350 1 'LH1 Beta' abbreviation 6350 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_LH1_Beta _Entity.Sf_category entity _Entity.Sf_framecode LH1_Beta _Entity.Entry_ID 6350 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Beta subunit of LH1 complex' _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 ; AEVKQESLSGITEGEAKEFH KIFTSSILVFFGVAAFAHLL VWIWRPWVPGPNGYS ; _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 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WRG . "Light-Harvesting Complex 1 Beta Subunit From Wild-Type Rhodospirillum Rubrum" . . . . . 100.00 55 100.00 100.00 1.94e-30 . . . . 6350 1 2 no GB AAA26461 . "B880 holochrome beta precursor [Rhodospirillum rubrum]" . . . . . 100.00 69 100.00 100.00 3.98e-31 . . . . 6350 1 3 no GB ABC23772 . "Antenna complex, alpha/beta subunit [Rhodospirillum rubrum ATCC 11170]" . . . . . 100.00 69 100.00 100.00 3.98e-31 . . . . 6350 1 4 no GB AEO49512 . "antenna complex, alpha/subunit beta [Rhodospirillum rubrum F11]" . . . . . 100.00 69 100.00 100.00 3.98e-31 . . . . 6350 1 5 no REF WP_011390725 . "antenna complex subunit alpha/beta [Rhodospirillum rubrum]" . . . . . 100.00 69 100.00 100.00 3.98e-31 . . . . 6350 1 6 no REF YP_006049309 . "antenna complex subunit alpha/beta [Rhodospirillum rubrum F11]" . . . . . 100.00 69 100.00 100.00 3.98e-31 . . . . 6350 1 7 no REF YP_428059 . "antenna complex subunit alpha/beta [Rhodospirillum rubrum ATCC 11170]" . . . . . 100.00 69 100.00 100.00 3.98e-31 . . . . 6350 1 8 no SP P0C190 . "RecName: Full=Light-harvesting protein B-870 beta chain; AltName: Full=Antenna pigment protein beta chain; AltName: Full=LH-1 [" . . . . . 98.18 54 100.00 100.00 8.94e-30 . . . . 6350 1 9 no SP Q2RQ23 . "RecName: Full=Light-harvesting protein B-870 beta chain; AltName: Full=Antenna pigment protein beta chain; AltName: Full=LH-1; " . . . . . 100.00 69 100.00 100.00 3.98e-31 . . . . 6350 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Beta subunit of LH1 complex' common 6350 1 'LH1 Beta' abbreviation 6350 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 . 6350 1 2 . GLU . 6350 1 3 . VAL . 6350 1 4 . LYS . 6350 1 5 . GLN . 6350 1 6 . GLU . 6350 1 7 . SER . 6350 1 8 . LEU . 6350 1 9 . SER . 6350 1 10 . GLY . 6350 1 11 . ILE . 6350 1 12 . THR . 6350 1 13 . GLU . 6350 1 14 . GLY . 6350 1 15 . GLU . 6350 1 16 . ALA . 6350 1 17 . LYS . 6350 1 18 . GLU . 6350 1 19 . PHE . 6350 1 20 . HIS . 6350 1 21 . LYS . 6350 1 22 . ILE . 6350 1 23 . PHE . 6350 1 24 . THR . 6350 1 25 . SER . 6350 1 26 . SER . 6350 1 27 . ILE . 6350 1 28 . LEU . 6350 1 29 . VAL . 6350 1 30 . PHE . 6350 1 31 . PHE . 6350 1 32 . GLY . 6350 1 33 . VAL . 6350 1 34 . ALA . 6350 1 35 . ALA . 6350 1 36 . PHE . 6350 1 37 . ALA . 6350 1 38 . HIS . 6350 1 39 . LEU . 6350 1 40 . LEU . 6350 1 41 . VAL . 6350 1 42 . TRP . 6350 1 43 . ILE . 6350 1 44 . TRP . 6350 1 45 . ARG . 6350 1 46 . PRO . 6350 1 47 . TRP . 6350 1 48 . VAL . 6350 1 49 . PRO . 6350 1 50 . GLY . 6350 1 51 . PRO . 6350 1 52 . ASN . 6350 1 53 . GLY . 6350 1 54 . TYR . 6350 1 55 . SER . 6350 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 6350 1 . GLU 2 2 6350 1 . VAL 3 3 6350 1 . LYS 4 4 6350 1 . GLN 5 5 6350 1 . GLU 6 6 6350 1 . SER 7 7 6350 1 . LEU 8 8 6350 1 . SER 9 9 6350 1 . GLY 10 10 6350 1 . ILE 11 11 6350 1 . THR 12 12 6350 1 . GLU 13 13 6350 1 . GLY 14 14 6350 1 . GLU 15 15 6350 1 . ALA 16 16 6350 1 . LYS 17 17 6350 1 . GLU 18 18 6350 1 . PHE 19 19 6350 1 . HIS 20 20 6350 1 . LYS 21 21 6350 1 . ILE 22 22 6350 1 . PHE 23 23 6350 1 . THR 24 24 6350 1 . SER 25 25 6350 1 . SER 26 26 6350 1 . ILE 27 27 6350 1 . LEU 28 28 6350 1 . VAL 29 29 6350 1 . PHE 30 30 6350 1 . PHE 31 31 6350 1 . GLY 32 32 6350 1 . VAL 33 33 6350 1 . ALA 34 34 6350 1 . ALA 35 35 6350 1 . PHE 36 36 6350 1 . ALA 37 37 6350 1 . HIS 38 38 6350 1 . LEU 39 39 6350 1 . LEU 40 40 6350 1 . VAL 41 41 6350 1 . TRP 42 42 6350 1 . ILE 43 43 6350 1 . TRP 44 44 6350 1 . ARG 45 45 6350 1 . PRO 46 46 6350 1 . TRP 47 47 6350 1 . VAL 48 48 6350 1 . PRO 49 49 6350 1 . GLY 50 50 6350 1 . PRO 51 51 6350 1 . ASN 52 52 6350 1 . GLY 53 53 6350 1 . TYR 54 54 6350 1 . SER 55 55 6350 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 6350 _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 $LH1_Beta . 1085 . . 'Rhodospirillum rubrum' 'Rhodospirillum rubrum' . . Eubacteria . Rhodospirillum rubrum . . . . . . . . . . . . . . . . . . . . . 6350 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 6350 _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 $LH1_Beta . 'purified from the natural source' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6350 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_LH1b _Sample.Sf_category sample _Sample.Sf_framecode sample_LH1b _Sample.Entry_ID 6350 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Beta subunit of LH1 complex' '[U-95% 13C; U-95% 15N]' . . 1 $LH1_Beta . . . 0.5 1.5 mM . . . . 6350 1 2 'chloroform-d:methanol-d3 [1:1 (v/v)]' . . . . . . . 100 . . % . . . . 6350 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond _Sample_condition_list.Entry_ID 6350 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'The sample was dissolved in 1:1 (v/v) chloroform-d:methanol-d3.' 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* . . na 6350 1 temperature 298 0.5 K 6350 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 6350 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0.4 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6350 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 400 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6350 _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 Bruker DRX . 400 . . . 6350 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 6350 _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 '1H-15N NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6350 1 2 '1H-15N TOCSY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6350 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6350 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6350 1 5 CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6350 1 6 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6350 1 7 HBHANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6350 1 8 HBHA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6350 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 6350 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '1H-15N NOESY-HSQC' _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 6350 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '1H-15N TOCSY-HSQC' _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 6350 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6350 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6350 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCANH _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6350 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name CBCA(CO)NH _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6350 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HBHANH _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6350 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HBHA(CO)NH _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 6350 _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 0.0 internal direct 1.000000000 . . . . . . . . . 6350 1 N 15 TMS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6350 1 C 13 TMS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6350 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 6350 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '1H-15N NOESY-HSQC' 1 $sample_LH1b . 6350 1 2 '1H-15N TOCSY-HSQC' 1 $sample_LH1b . 6350 1 3 HNCA 1 $sample_LH1b . 6350 1 4 HN(CO)CA 1 $sample_LH1b . 6350 1 5 CBCANH 1 $sample_LH1b . 6350 1 6 CBCA(CO)NH 1 $sample_LH1b . 6350 1 7 HBHANH 1 $sample_LH1b . 6350 1 8 HBHA(CO)NH 1 $sample_LH1b . 6350 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 ALA HA H 1 3.94 0.01 . 1 . . . . . . . . 6350 1 2 . 1 1 1 1 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 6350 1 3 . 1 1 1 1 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 6350 1 4 . 1 1 1 1 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 6350 1 5 . 1 1 1 1 ALA CA C 13 57.54 0.01 . 1 . . . . . . . . 6350 1 6 . 1 1 1 1 ALA CB C 13 14.83 0.01 . 1 . . . . . . . . 6350 1 7 . 1 1 2 2 GLU H H 1 8.85 0.01 . 1 . . . . . . . . 6350 1 8 . 1 1 2 2 GLU HA H 1 4.41 0.01 . 1 . . . . . . . . 6350 1 9 . 1 1 2 2 GLU HB2 H 1 2.06 0.01 . 1 . . . . . . . . 6350 1 10 . 1 1 2 2 GLU HB3 H 1 2.22 0.01 . 2 . . . . . . . . 6350 1 11 . 1 1 2 2 GLU HG2 H 1 2.45 0.01 . 1 . . . . . . . . 6350 1 12 . 1 1 2 2 GLU HG3 H 1 2.45 0.01 . 1 . . . . . . . . 6350 1 13 . 1 1 2 2 GLU C C 13 170.15 0.01 . 1 . . . . . . . . 6350 1 14 . 1 1 2 2 GLU CA C 13 54.75 0.01 . 1 . . . . . . . . 6350 1 15 . 1 1 2 2 GLU CB C 13 26.34 0.01 . 1 . . . . . . . . 6350 1 16 . 1 1 2 2 GLU N N 15 121.25 0.01 . 1 . . . . . . . . 6350 1 17 . 1 1 3 3 VAL H H 1 8.38 0.01 . 1 . . . . . . . . 6350 1 18 . 1 1 3 3 VAL HA H 1 3.83 0.01 . 1 . . . . . . . . 6350 1 19 . 1 1 3 3 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 6350 1 20 . 1 1 3 3 VAL HG11 H 1 0.97 0.01 . 1 . . . . . . . . 6350 1 21 . 1 1 3 3 VAL HG12 H 1 0.97 0.01 . 1 . . . . . . . . 6350 1 22 . 1 1 3 3 VAL HG13 H 1 0.97 0.01 . 1 . . . . . . . . 6350 1 23 . 1 1 3 3 VAL HG21 H 1 0.97 0.01 . 1 . . . . . . . . 6350 1 24 . 1 1 3 3 VAL HG22 H 1 0.97 0.01 . 1 . . . . . . . . 6350 1 25 . 1 1 3 3 VAL HG23 H 1 0.97 0.01 . 1 . . . . . . . . 6350 1 26 . 1 1 3 3 VAL C C 13 174.18 0.01 . 1 . . . . . . . . 6350 1 27 . 1 1 3 3 VAL CA C 13 63.2 0.01 . 1 . . . . . . . . 6350 1 28 . 1 1 3 3 VAL CB C 13 25.76 0.01 . 1 . . . . . . . . 6350 1 29 . 1 1 3 3 VAL N N 15 119.54 0.01 . 1 . . . . . . . . 6350 1 30 . 1 1 4 4 LYS H H 1 8.33 0.01 . 1 . . . . . . . . 6350 1 31 . 1 1 4 4 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 6350 1 32 . 1 1 4 4 LYS HB2 H 1 1.84 0.01 . 1 . . . . . . . . 6350 1 33 . 1 1 4 4 LYS HB3 H 1 1.84 0.01 . 1 . . . . . . . . 6350 1 34 . 1 1 4 4 LYS HG2 H 1 1.52 0.01 . 1 . . . . . . . . 6350 1 35 . 1 1 4 4 LYS HG3 H 1 1.52 0.01 . 1 . . . . . . . . 6350 1 36 . 1 1 4 4 LYS C C 13 175.67 0.01 . 1 . . . . . . . . 6350 1 37 . 1 1 4 4 LYS CA C 13 57.02 0.01 . 1 . . . . . . . . 6350 1 38 . 1 1 4 4 LYS CB C 13 29.6 0.01 . 1 . . . . . . . . 6350 1 39 . 1 1 4 4 LYS N N 15 120.44 0.01 . 1 . . . . . . . . 6350 1 40 . 1 1 5 5 GLN H H 1 8.14 0.01 . 1 . . . . . . . . 6350 1 41 . 1 1 5 5 GLN HA H 1 3.98 0.01 . 1 . . . . . . . . 6350 1 42 . 1 1 5 5 GLN HB2 H 1 2.14 0.01 . 1 . . . . . . . . 6350 1 43 . 1 1 5 5 GLN HB3 H 1 2.14 0.01 . 1 . . . . . . . . 6350 1 44 . 1 1 5 5 GLN HG2 H 1 2.38 0.01 . 1 . . . . . . . . 6350 1 45 . 1 1 5 5 GLN HG3 H 1 2.38 0.01 . 1 . . . . . . . . 6350 1 46 . 1 1 5 5 GLN C C 13 175.5 0.01 . 1 . . . . . . . . 6350 1 47 . 1 1 5 5 GLN CA C 13 57.13 0.01 . 1 . . . . . . . . 6350 1 48 . 1 1 5 5 GLN CB C 13 26.33 0.01 . 1 . . . . . . . . 6350 1 49 . 1 1 5 5 GLN N N 15 117.53 0.01 . 1 . . . . . . . . 6350 1 50 . 1 1 6 6 GLU H H 1 8.29 0.01 . 1 . . . . . . . . 6350 1 51 . 1 1 6 6 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 6350 1 52 . 1 1 6 6 GLU HB2 H 1 2.18 0.01 . 1 . . . . . . . . 6350 1 53 . 1 1 6 6 GLU HB3 H 1 2.18 0.01 . 1 . . . . . . . . 6350 1 54 . 1 1 6 6 GLU HG2 H 1 2.41 0.01 . 1 . . . . . . . . 6350 1 55 . 1 1 6 6 GLU HG3 H 1 2.54 0.01 . 1 . . . . . . . . 6350 1 56 . 1 1 6 6 GLU C C 13 177.85 0.01 . 1 . . . . . . . . 6350 1 57 . 1 1 6 6 GLU CA C 13 56.74 0.01 . 1 . . . . . . . . 6350 1 58 . 1 1 6 6 GLU CB C 13 25.79 0.01 . 1 . . . . . . . . 6350 1 59 . 1 1 6 6 GLU N N 15 118.21 0.01 . 1 . . . . . . . . 6350 1 60 . 1 1 7 7 SER H H 1 8.16 0.01 . 1 . . . . . . . . 6350 1 61 . 1 1 7 7 SER HA H 1 4.26 0.01 . 1 . . . . . . . . 6350 1 62 . 1 1 7 7 SER HB2 H 1 3.8 0.01 . 1 . . . . . . . . 6350 1 63 . 1 1 7 7 SER HB3 H 1 4.06 0.01 . 1 . . . . . . . . 6350 1 64 . 1 1 7 7 SER HG H 1 4.53 0.01 . 1 . . . . . . . . 6350 1 65 . 1 1 7 7 SER C C 13 175.67 0.01 . 1 . . . . . . . . 6350 1 66 . 1 1 7 7 SER CA C 13 59.5 0.01 . 1 . . . . . . . . 6350 1 67 . 1 1 7 7 SER CB C 13 61.32 0.01 . 1 . . . . . . . . 6350 1 68 . 1 1 7 7 SER N N 15 114.52 0.01 . 1 . . . . . . . . 6350 1 69 . 1 1 8 8 LEU H H 1 8.01 0.01 . 1 . . . . . . . . 6350 1 70 . 1 1 8 8 LEU HA H 1 4.14 0.01 . 1 . . . . . . . . 6350 1 71 . 1 1 8 8 LEU HB2 H 1 1.67 0.01 . 1 . . . . . . . . 6350 1 72 . 1 1 8 8 LEU HB3 H 1 1.67 0.01 . 1 . . . . . . . . 6350 1 73 . 1 1 8 8 LEU HG H 1 1.79 0.01 . 1 . . . . . . . . 6350 1 74 . 1 1 8 8 LEU HD11 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 75 . 1 1 8 8 LEU HD12 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 76 . 1 1 8 8 LEU HD13 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 77 . 1 1 8 8 LEU HD21 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 78 . 1 1 8 8 LEU HD22 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 79 . 1 1 8 8 LEU HD23 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 80 . 1 1 8 8 LEU C C 13 173.45 0.01 . 1 . . . . . . . . 6350 1 81 . 1 1 8 8 LEU CA C 13 55.69 0.01 . 1 . . . . . . . . 6350 1 82 . 1 1 8 8 LEU CB C 13 39.47 0.01 . 1 . . . . . . . . 6350 1 83 . 1 1 8 8 LEU N N 15 120.7 0.01 . 1 . . . . . . . . 6350 1 84 . 1 1 9 9 SER H H 1 8.24 0.01 . 1 . . . . . . . . 6350 1 85 . 1 1 9 9 SER HA H 1 4.12 0.01 . 1 . . . . . . . . 6350 1 86 . 1 1 9 9 SER HB2 H 1 3.9 0.01 . 1 . . . . . . . . 6350 1 87 . 1 1 9 9 SER HB3 H 1 4.06 0.01 . 1 . . . . . . . . 6350 1 88 . 1 1 9 9 SER HG H 1 4.53 0.01 . 1 . . . . . . . . 6350 1 89 . 1 1 9 9 SER C C 13 177.73 0.01 . 1 . . . . . . . . 6350 1 90 . 1 1 9 9 SER CA C 13 60.47 0.01 . 1 . . . . . . . . 6350 1 91 . 1 1 9 9 SER CB C 13 61.34 0.01 . 1 . . . . . . . . 6350 1 92 . 1 1 9 9 SER N N 15 115.93 0.01 . 1 . . . . . . . . 6350 1 93 . 1 1 10 10 GLY H H 1 8.28 0.01 . 1 . . . . . . . . 6350 1 94 . 1 1 10 10 GLY HA2 H 1 3.86 0.01 . 1 . . . . . . . . 6350 1 95 . 1 1 10 10 GLY HA3 H 1 3.86 0.01 . 1 . . . . . . . . 6350 1 96 . 1 1 10 10 GLY C C 13 173.45 0.01 . 1 . . . . . . . . 6350 1 97 . 1 1 10 10 GLY CA C 13 45.35 0.01 . 1 . . . . . . . . 6350 1 98 . 1 1 10 10 GLY N N 15 108.78 0.01 . 1 . . . . . . . . 6350 1 99 . 1 1 11 11 ILE H H 1 8.23 0.01 . 1 . . . . . . . . 6350 1 100 . 1 1 11 11 ILE HA H 1 3.86 0.01 . 1 . . . . . . . . 6350 1 101 . 1 1 11 11 ILE HB H 1 1.95 0.01 . 1 . . . . . . . . 6350 1 102 . 1 1 11 11 ILE HG12 H 1 1.2 0.01 . 1 . . . . . . . . 6350 1 103 . 1 1 11 11 ILE HG13 H 1 1.2 0.01 . 1 . . . . . . . . 6350 1 104 . 1 1 11 11 ILE HG21 H 1 0.93 0.01 . 1 . . . . . . . . 6350 1 105 . 1 1 11 11 ILE HG22 H 1 0.93 0.01 . 1 . . . . . . . . 6350 1 106 . 1 1 11 11 ILE HG23 H 1 0.93 0.01 . 1 . . . . . . . . 6350 1 107 . 1 1 11 11 ILE HD11 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 108 . 1 1 11 11 ILE HD12 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 109 . 1 1 11 11 ILE HD13 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 110 . 1 1 11 11 ILE C C 13 173.53 0.01 . 1 . . . . . . . . 6350 1 111 . 1 1 11 11 ILE CA C 13 62.75 0.01 . 1 . . . . . . . . 6350 1 112 . 1 1 11 11 ILE CB C 13 35.63 0.01 . 1 . . . . . . . . 6350 1 113 . 1 1 11 11 ILE N N 15 121.14 0.01 . 1 . . . . . . . . 6350 1 114 . 1 1 12 12 THR H H 1 8 0.01 . 1 . . . . . . . . 6350 1 115 . 1 1 12 12 THR HA H 1 3.9 0.01 . 1 . . . . . . . . 6350 1 116 . 1 1 12 12 THR HB H 1 4.29 0.01 . 1 . . . . . . . . 6350 1 117 . 1 1 12 12 THR HG1 H 1 4.53 0.01 . 1 . . . . . . . . 6350 1 118 . 1 1 12 12 THR HG21 H 1 1.28 0.01 . 1 . . . . . . . . 6350 1 119 . 1 1 12 12 THR HG22 H 1 1.28 0.01 . 1 . . . . . . . . 6350 1 120 . 1 1 12 12 THR HG23 H 1 1.28 0.01 . 1 . . . . . . . . 6350 1 121 . 1 1 12 12 THR C C 13 175.5 0.01 . 1 . . . . . . . . 6350 1 122 . 1 1 12 12 THR CA C 13 65.05 0.01 . 1 . . . . . . . . 6350 1 123 . 1 1 12 12 THR CB C 13 66.8 0.01 . 1 . . . . . . . . 6350 1 124 . 1 1 12 12 THR N N 15 115.15 0.01 . 1 . . . . . . . . 6350 1 125 . 1 1 13 13 GLU H H 1 8.39 0.01 . 1 . . . . . . . . 6350 1 126 . 1 1 13 13 GLU HA H 1 4.06 0.01 . 1 . . . . . . . . 6350 1 127 . 1 1 13 13 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 6350 1 128 . 1 1 13 13 GLU HB3 H 1 2.14 0.01 . 1 . . . . . . . . 6350 1 129 . 1 1 13 13 GLU HG2 H 1 2.3 0.01 . 1 . . . . . . . . 6350 1 130 . 1 1 13 13 GLU HG3 H 1 2.3 0.01 . 1 . . . . . . . . 6350 1 131 . 1 1 13 13 GLU C C 13 174.18 0.01 . 1 . . . . . . . . 6350 1 132 . 1 1 13 13 GLU CA C 13 57.04 0.01 . 1 . . . . . . . . 6350 1 133 . 1 1 13 13 GLU CB C 13 25.76 0.01 . 1 . . . . . . . . 6350 1 134 . 1 1 13 13 GLU N N 15 119.82 0.01 . 1 . . . . . . . . 6350 1 135 . 1 1 14 14 GLY H H 1 8.39 0.01 . 1 . . . . . . . . 6350 1 136 . 1 1 14 14 GLY HA2 H 1 3.86 0.01 . 1 . . . . . . . . 6350 1 137 . 1 1 14 14 GLY HA3 H 1 3.86 0.01 . 1 . . . . . . . . 6350 1 138 . 1 1 14 14 GLY C C 13 176.13 0.01 . 1 . . . . . . . . 6350 1 139 . 1 1 14 14 GLY CA C 13 45.55 0.01 . 1 . . . . . . . . 6350 1 140 . 1 1 14 14 GLY N N 15 106.54 0.01 . 1 . . . . . . . . 6350 1 141 . 1 1 15 15 GLU H H 1 8.56 0.01 . 1 . . . . . . . . 6350 1 142 . 1 1 15 15 GLU HA H 1 4.04 0.01 . 1 . . . . . . . . 6350 1 143 . 1 1 15 15 GLU HB2 H 1 2.34 0.01 . 1 . . . . . . . . 6350 1 144 . 1 1 15 15 GLU HB3 H 1 2.38 0.01 . 1 . . . . . . . . 6350 1 145 . 1 1 15 15 GLU HG2 H 1 2.69 0.01 . 1 . . . . . . . . 6350 1 146 . 1 1 15 15 GLU HG3 H 1 2.69 0.01 . 1 . . . . . . . . 6350 1 147 . 1 1 15 15 GLU C C 13 173.15 0.01 . 1 . . . . . . . . 6350 1 148 . 1 1 15 15 GLU CA C 13 57.37 0.01 . 1 . . . . . . . . 6350 1 149 . 1 1 15 15 GLU CB C 13 25.78 0.01 . 1 . . . . . . . . 6350 1 150 . 1 1 15 15 GLU N N 15 120.77 0.01 . 1 . . . . . . . . 6350 1 151 . 1 1 16 16 ALA H H 1 8.42 0.01 . 1 . . . . . . . . 6350 1 152 . 1 1 16 16 ALA HA H 1 4.1 0.01 . 1 . . . . . . . . 6350 1 153 . 1 1 16 16 ALA HB1 H 1 1.56 0.01 . 1 . . . . . . . . 6350 1 154 . 1 1 16 16 ALA HB2 H 1 1.56 0.01 . 1 . . . . . . . . 6350 1 155 . 1 1 16 16 ALA HB3 H 1 1.56 0.01 . 1 . . . . . . . . 6350 1 156 . 1 1 16 16 ALA C C 13 175.75 0.01 . 1 . . . . . . . . 6350 1 157 . 1 1 16 16 ALA CA C 13 53.58 0.01 . 1 . . . . . . . . 6350 1 158 . 1 1 16 16 ALA CB C 13 15.93 0.01 . 1 . . . . . . . . 6350 1 159 . 1 1 16 16 ALA N N 15 121.18 0.01 . 1 . . . . . . . . 6350 1 160 . 1 1 17 17 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 6350 1 161 . 1 1 17 17 LYS HA H 1 4.02 0.01 . 1 . . . . . . . . 6350 1 162 . 1 1 17 17 LYS HB2 H 1 1.95 0.01 . 1 . . . . . . . . 6350 1 163 . 1 1 17 17 LYS HB3 H 1 1.95 0.01 . 1 . . . . . . . . 6350 1 164 . 1 1 17 17 LYS HG2 H 1 1.71 0.01 . 1 . . . . . . . . 6350 1 165 . 1 1 17 17 LYS HG3 H 1 1.71 0.01 . 1 . . . . . . . . 6350 1 166 . 1 1 17 17 LYS C C 13 175.94 0.01 . 1 . . . . . . . . 6350 1 167 . 1 1 17 17 LYS CA C 13 57.84 0.01 . 1 . . . . . . . . 6350 1 168 . 1 1 17 17 LYS CB C 13 30.15 0.01 . 1 . . . . . . . . 6350 1 169 . 1 1 17 17 LYS N N 15 117.79 0.01 . 1 . . . . . . . . 6350 1 170 . 1 1 18 18 GLU H H 1 8.35 0.01 . 1 . . . . . . . . 6350 1 171 . 1 1 18 18 GLU HA H 1 4.14 0.01 . 1 . . . . . . . . 6350 1 172 . 1 1 18 18 GLU HB2 H 1 2.14 0.01 . 1 . . . . . . . . 6350 1 173 . 1 1 18 18 GLU HB3 H 1 2.3 0.01 . 1 . . . . . . . . 6350 1 174 . 1 1 18 18 GLU HG2 H 1 2.5 0.01 . 1 . . . . . . . . 6350 1 175 . 1 1 18 18 GLU HG3 H 1 2.5 0.01 . 1 . . . . . . . . 6350 1 176 . 1 1 18 18 GLU C C 13 175.83 0.01 . 1 . . . . . . . . 6350 1 177 . 1 1 18 18 GLU CA C 13 57.03 0.01 . 1 . . . . . . . . 6350 1 178 . 1 1 18 18 GLU CB C 13 25.78 0.01 . 1 . . . . . . . . 6350 1 179 . 1 1 18 18 GLU N N 15 118.79 0.01 . 1 . . . . . . . . 6350 1 180 . 1 1 19 19 PHE H H 1 8.92 0.01 . 1 . . . . . . . . 6350 1 181 . 1 1 19 19 PHE HA H 1 4.21 0.01 . 1 . . . . . . . . 6350 1 182 . 1 1 19 19 PHE HB2 H 1 3.24 0.01 . 1 . . . . . . . . 6350 1 183 . 1 1 19 19 PHE HB3 H 1 3.27 0.01 . 1 . . . . . . . . 6350 1 184 . 1 1 19 19 PHE HD1 H 1 7.19 0.01 . 1 . . . . . . . . 6350 1 185 . 1 1 19 19 PHE HD2 H 1 7.19 0.01 . 1 . . . . . . . . 6350 1 186 . 1 1 19 19 PHE C C 13 176.11 0.01 . 1 . . . . . . . . 6350 1 187 . 1 1 19 19 PHE CA C 13 59.34 0.01 . 1 . . . . . . . . 6350 1 188 . 1 1 19 19 PHE CB C 13 36.17 0.01 . 1 . . . . . . . . 6350 1 189 . 1 1 19 19 PHE N N 15 118.78 0.01 . 1 . . . . . . . . 6350 1 190 . 1 1 20 20 HIS H H 1 8.64 0.01 . 1 . . . . . . . . 6350 1 191 . 1 1 20 20 HIS HA H 1 4.26 0.01 . 1 . . . . . . . . 6350 1 192 . 1 1 20 20 HIS HB2 H 1 3.51 0.01 . 1 . . . . . . . . 6350 1 193 . 1 1 20 20 HIS HB3 H 1 3.55 0.01 . 1 . . . . . . . . 6350 1 194 . 1 1 20 20 HIS C C 13 175.23 0.01 . 1 . . . . . . . . 6350 1 195 . 1 1 20 20 HIS CA C 13 57.59 0.01 . 1 . . . . . . . . 6350 1 196 . 1 1 20 20 HIS CB C 13 25.78 0.01 . 1 . . . . . . . . 6350 1 197 . 1 1 20 20 HIS N N 15 116.52 0.01 . 1 . . . . . . . . 6350 1 198 . 1 1 21 21 LYS H H 1 8.52 0.01 . 1 . . . . . . . . 6350 1 199 . 1 1 21 21 LYS HA H 1 4.01 0.01 . 1 . . . . . . . . 6350 1 200 . 1 1 21 21 LYS HB2 H 1 2.02 0.01 . 1 . . . . . . . . 6350 1 201 . 1 1 21 21 LYS HB3 H 1 2.06 0.01 . 1 . . . . . . . . 6350 1 202 . 1 1 21 21 LYS HG2 H 1 1.68 0.01 . 1 . . . . . . . . 6350 1 203 . 1 1 21 21 LYS HG3 H 1 1.71 0.01 . 1 . . . . . . . . 6350 1 204 . 1 1 21 21 LYS C C 13 175.48 0.01 . 1 . . . . . . . . 6350 1 205 . 1 1 21 21 LYS CA C 13 57.11 0.01 . 1 . . . . . . . . 6350 1 206 . 1 1 21 21 LYS CB C 13 30.15 0.01 . 1 . . . . . . . . 6350 1 207 . 1 1 21 21 LYS N N 15 121.28 0.01 . 1 . . . . . . . . 6350 1 208 . 1 1 22 22 ILE H H 1 8.47 0.01 . 1 . . . . . . . . 6350 1 209 . 1 1 22 22 ILE HA H 1 3.63 0.01 . 1 . . . . . . . . 6350 1 210 . 1 1 22 22 ILE HB H 1 1.86 0.01 . 1 . . . . . . . . 6350 1 211 . 1 1 22 22 ILE HG12 H 1 1.09 0.01 . 1 . . . . . . . . 6350 1 212 . 1 1 22 22 ILE HG13 H 1 1.09 0.01 . 1 . . . . . . . . 6350 1 213 . 1 1 22 22 ILE HG21 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 214 . 1 1 22 22 ILE HG22 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 215 . 1 1 22 22 ILE HG23 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 216 . 1 1 22 22 ILE HD11 H 1 0.74 0.01 . 1 . . . . . . . . 6350 1 217 . 1 1 22 22 ILE HD12 H 1 0.74 0.01 . 1 . . . . . . . . 6350 1 218 . 1 1 22 22 ILE HD13 H 1 0.74 0.01 . 1 . . . . . . . . 6350 1 219 . 1 1 22 22 ILE C C 13 176.56 0.01 . 1 . . . . . . . . 6350 1 220 . 1 1 22 22 ILE CA C 13 63.11 0.01 . 1 . . . . . . . . 6350 1 221 . 1 1 22 22 ILE CB C 13 35.61 0.01 . 1 . . . . . . . . 6350 1 222 . 1 1 22 22 ILE N N 15 121.33 0.01 . 1 . . . . . . . . 6350 1 223 . 1 1 23 23 PHE H H 1 8.74 0.01 . 1 . . . . . . . . 6350 1 224 . 1 1 23 23 PHE HA H 1 4.1 0.01 . 1 . . . . . . . . 6350 1 225 . 1 1 23 23 PHE HB2 H 1 2.85 0.01 . 1 . . . . . . . . 6350 1 226 . 1 1 23 23 PHE HB3 H 1 2.97 0.01 . 1 . . . . . . . . 6350 1 227 . 1 1 23 23 PHE HD1 H 1 7.11 0.01 . 1 . . . . . . . . 6350 1 228 . 1 1 23 23 PHE HD2 H 1 7.2 0.01 . 1 . . . . . . . . 6350 1 229 . 1 1 23 23 PHE C C 13 175.91 0.01 . 1 . . . . . . . . 6350 1 230 . 1 1 23 23 PHE CA C 13 59.53 0.01 . 1 . . . . . . . . 6350 1 231 . 1 1 23 23 PHE CB C 13 37.26 0.01 . 1 . . . . . . . . 6350 1 232 . 1 1 23 23 PHE N N 15 121.53 0.01 . 1 . . . . . . . . 6350 1 233 . 1 1 24 24 THR H H 1 8.31 0.01 . 1 . . . . . . . . 6350 1 234 . 1 1 24 24 THR HA H 1 3.67 0.01 . 1 . . . . . . . . 6350 1 235 . 1 1 24 24 THR HB H 1 4.13 0.01 . 1 . . . . . . . . 6350 1 236 . 1 1 24 24 THR HG1 H 1 4.53 0.01 . 1 . . . . . . . . 6350 1 237 . 1 1 24 24 THR HG21 H 1 1.2 0.01 . 1 . . . . . . . . 6350 1 238 . 1 1 24 24 THR HG22 H 1 1.2 0.01 . 1 . . . . . . . . 6350 1 239 . 1 1 24 24 THR HG23 H 1 1.2 0.01 . 1 . . . . . . . . 6350 1 240 . 1 1 24 24 THR C C 13 175.08 0.01 . 1 . . . . . . . . 6350 1 241 . 1 1 24 24 THR CA C 13 65.29 0.01 . 1 . . . . . . . . 6350 1 242 . 1 1 24 24 THR CB C 13 66.8 0.01 . 1 . . . . . . . . 6350 1 243 . 1 1 24 24 THR N N 15 113.19 0.01 . 1 . . . . . . . . 6350 1 244 . 1 1 25 25 SER H H 1 8.16 0.01 . 1 . . . . . . . . 6350 1 245 . 1 1 25 25 SER HA H 1 4.1 0.01 . 1 . . . . . . . . 6350 1 246 . 1 1 25 25 SER HB2 H 1 3.9 0.01 . 1 . . . . . . . . 6350 1 247 . 1 1 25 25 SER HB3 H 1 3.9 0.01 . 1 . . . . . . . . 6350 1 248 . 1 1 25 25 SER HG H 1 4.53 0.01 . 1 . . . . . . . . 6350 1 249 . 1 1 25 25 SER C C 13 173.96 0.01 . 1 . . . . . . . . 6350 1 250 . 1 1 25 25 SER CA C 13 61.06 0.01 . 1 . . . . . . . . 6350 1 251 . 1 1 25 25 SER CB C 13 61.33 0.01 . 1 . . . . . . . . 6350 1 252 . 1 1 25 25 SER N N 15 115.46 0.01 . 1 . . . . . . . . 6350 1 253 . 1 1 26 26 SER H H 1 8.01 0.01 . 1 . . . . . . . . 6350 1 254 . 1 1 26 26 SER HA H 1 4.1 0.01 . 1 . . . . . . . . 6350 1 255 . 1 1 26 26 SER HB2 H 1 3.82 0.01 . 1 . . . . . . . . 6350 1 256 . 1 1 26 26 SER HB3 H 1 3.82 0.01 . 1 . . . . . . . . 6350 1 257 . 1 1 26 26 SER HG H 1 4.53 0.01 . 1 . . . . . . . . 6350 1 258 . 1 1 26 26 SER C C 13 172.91 0.01 . 1 . . . . . . . . 6350 1 259 . 1 1 26 26 SER CA C 13 60.84 0.01 . 1 . . . . . . . . 6350 1 260 . 1 1 26 26 SER CB C 13 60.76 0.01 . 1 . . . . . . . . 6350 1 261 . 1 1 26 26 SER N N 15 116.44 0.01 . 1 . . . . . . . . 6350 1 262 . 1 1 27 27 ILE H H 1 7.59 0.01 . 1 . . . . . . . . 6350 1 263 . 1 1 27 27 ILE HA H 1 3.71 0.01 . 1 . . . . . . . . 6350 1 264 . 1 1 27 27 ILE HB H 1 1.91 0.01 . 1 . . . . . . . . 6350 1 265 . 1 1 27 27 ILE HG12 H 1 1.36 0.01 . 1 . . . . . . . . 6350 1 266 . 1 1 27 27 ILE HG13 H 1 1.36 0.01 . 1 . . . . . . . . 6350 1 267 . 1 1 27 27 ILE HG21 H 1 1.4 0.01 . 1 . . . . . . . . 6350 1 268 . 1 1 27 27 ILE HG22 H 1 1.4 0.01 . 1 . . . . . . . . 6350 1 269 . 1 1 27 27 ILE HG23 H 1 1.4 0.01 . 1 . . . . . . . . 6350 1 270 . 1 1 27 27 ILE HD11 H 1 0.58 0.01 . 1 . . . . . . . . 6350 1 271 . 1 1 27 27 ILE HD12 H 1 0.58 0.01 . 1 . . . . . . . . 6350 1 272 . 1 1 27 27 ILE HD13 H 1 0.58 0.01 . 1 . . . . . . . . 6350 1 273 . 1 1 27 27 ILE C C 13 173 0.01 . 1 . . . . . . . . 6350 1 274 . 1 1 27 27 ILE CA C 13 62.37 0.01 . 1 . . . . . . . . 6350 1 275 . 1 1 27 27 ILE CB C 13 35.09 0.01 . 1 . . . . . . . . 6350 1 276 . 1 1 27 27 ILE N N 15 121.41 0.01 . 1 . . . . . . . . 6350 1 277 . 1 1 28 28 LEU H H 1 7.73 0.01 . 1 . . . . . . . . 6350 1 278 . 1 1 28 28 LEU HA H 1 4.1 0.01 . 1 . . . . . . . . 6350 1 279 . 1 1 28 28 LEU HB2 H 1 1.59 0.01 . 1 . . . . . . . . 6350 1 280 . 1 1 28 28 LEU HB3 H 1 1.59 0.01 . 1 . . . . . . . . 6350 1 281 . 1 1 28 28 LEU HG H 1 1.99 0.01 . 1 . . . . . . . . 6350 1 282 . 1 1 28 28 LEU HD11 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 283 . 1 1 28 28 LEU HD12 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 284 . 1 1 28 28 LEU HD13 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 285 . 1 1 28 28 LEU HD21 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 286 . 1 1 28 28 LEU HD22 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 287 . 1 1 28 28 LEU HD23 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 288 . 1 1 28 28 LEU C C 13 175.08 0.01 . 1 . . . . . . . . 6350 1 289 . 1 1 28 28 LEU CA C 13 56.37 0.01 . 1 . . . . . . . . 6350 1 290 . 1 1 28 28 LEU CB C 13 39.45 0.01 . 1 . . . . . . . . 6350 1 291 . 1 1 28 28 LEU N N 15 118.87 0.01 . 1 . . . . . . . . 6350 1 292 . 1 1 29 29 VAL H H 1 8.14 0.01 . 1 . . . . . . . . 6350 1 293 . 1 1 29 29 VAL HA H 1 3.71 0.01 . 1 . . . . . . . . 6350 1 294 . 1 1 29 29 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 6350 1 295 . 1 1 29 29 VAL HG11 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 296 . 1 1 29 29 VAL HG12 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 297 . 1 1 29 29 VAL HG13 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 298 . 1 1 29 29 VAL HG21 H 1 1.09 0.01 . 1 . . . . . . . . 6350 1 299 . 1 1 29 29 VAL HG22 H 1 1.09 0.01 . 1 . . . . . . . . 6350 1 300 . 1 1 29 29 VAL HG23 H 1 1.09 0.01 . 1 . . . . . . . . 6350 1 301 . 1 1 29 29 VAL C C 13 177.46 0.01 . 1 . . . . . . . . 6350 1 302 . 1 1 29 29 VAL CA C 13 64.95 0.01 . 1 . . . . . . . . 6350 1 303 . 1 1 29 29 VAL CB C 13 29.08 0.01 . 1 . . . . . . . . 6350 1 304 . 1 1 29 29 VAL N N 15 118.44 0.01 . 1 . . . . . . . . 6350 1 305 . 1 1 30 30 PHE H H 1 8.2 0.01 . 1 . . . . . . . . 6350 1 306 . 1 1 30 30 PHE HA H 1 4.1 0.01 . 1 . . . . . . . . 6350 1 307 . 1 1 30 30 PHE HB2 H 1 3.2 0.01 . 1 . . . . . . . . 6350 1 308 . 1 1 30 30 PHE HB3 H 1 3.24 0.01 . 1 . . . . . . . . 6350 1 309 . 1 1 30 30 PHE HD1 H 1 6.99 0.01 . 1 . . . . . . . . 6350 1 310 . 1 1 30 30 PHE HD2 H 1 6.99 0.01 . 1 . . . . . . . . 6350 1 311 . 1 1 30 30 PHE C C 13 175.15 0.01 . 1 . . . . . . . . 6350 1 312 . 1 1 30 30 PHE CA C 13 59.6 0.01 . 1 . . . . . . . . 6350 1 313 . 1 1 30 30 PHE CB C 13 36.7 0.01 . 1 . . . . . . . . 6350 1 314 . 1 1 30 30 PHE N N 15 119.12 0.01 . 1 . . . . . . . . 6350 1 315 . 1 1 31 31 PHE H H 1 8.64 0.01 . 1 . . . . . . . . 6350 1 316 . 1 1 31 31 PHE HA H 1 4.12 0.01 . 1 . . . . . . . . 6350 1 317 . 1 1 31 31 PHE HB2 H 1 3.23 0.01 . 1 . . . . . . . . 6350 1 318 . 1 1 31 31 PHE HB3 H 1 3.23 0.01 . 1 . . . . . . . . 6350 1 319 . 1 1 31 31 PHE HD1 H 1 7.35 0.01 . 1 . . . . . . . . 6350 1 320 . 1 1 31 31 PHE HD2 H 1 7.35 0.01 . 1 . . . . . . . . 6350 1 321 . 1 1 31 31 PHE C C 13 175.23 0.01 . 1 . . . . . . . . 6350 1 322 . 1 1 31 31 PHE CA C 13 59.26 0.01 . 1 . . . . . . . . 6350 1 323 . 1 1 31 31 PHE CB C 13 36.72 0.01 . 1 . . . . . . . . 6350 1 324 . 1 1 31 31 PHE N N 15 116.93 0.01 . 1 . . . . . . . . 6350 1 325 . 1 1 32 32 GLY H H 1 8.51 0.01 . 1 . . . . . . . . 6350 1 326 . 1 1 32 32 GLY HA2 H 1 3.87 0.01 . 1 . . . . . . . . 6350 1 327 . 1 1 32 32 GLY HA3 H 1 3.87 0.01 . 1 . . . . . . . . 6350 1 328 . 1 1 32 32 GLY C C 13 175.67 0.01 . 1 . . . . . . . . 6350 1 329 . 1 1 32 32 GLY CA C 13 45.73 0.01 . 1 . . . . . . . . 6350 1 330 . 1 1 32 32 GLY N N 15 107.31 0.01 . 1 . . . . . . . . 6350 1 331 . 1 1 33 33 VAL H H 1 8.59 0.01 . 1 . . . . . . . . 6350 1 332 . 1 1 33 33 VAL HA H 1 3.71 0.01 . 1 . . . . . . . . 6350 1 333 . 1 1 33 33 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 6350 1 334 . 1 1 33 33 VAL HG11 H 1 0.97 0.01 . 1 . . . . . . . . 6350 1 335 . 1 1 33 33 VAL HG12 H 1 0.97 0.01 . 1 . . . . . . . . 6350 1 336 . 1 1 33 33 VAL HG13 H 1 0.97 0.01 . 1 . . . . . . . . 6350 1 337 . 1 1 33 33 VAL HG21 H 1 1.08 0.01 . 1 . . . . . . . . 6350 1 338 . 1 1 33 33 VAL HG22 H 1 1.08 0.01 . 1 . . . . . . . . 6350 1 339 . 1 1 33 33 VAL HG23 H 1 1.08 0.01 . 1 . . . . . . . . 6350 1 340 . 1 1 33 33 VAL C C 13 173.23 0.01 . 1 . . . . . . . . 6350 1 341 . 1 1 33 33 VAL CA C 13 64.84 0.01 . 1 . . . . . . . . 6350 1 342 . 1 1 33 33 VAL CB C 13 29.06 0.01 . 1 . . . . . . . . 6350 1 343 . 1 1 33 33 VAL N N 15 121.74 0.01 . 1 . . . . . . . . 6350 1 344 . 1 1 34 34 ALA H H 1 8.23 0.01 . 1 . . . . . . . . 6350 1 345 . 1 1 34 34 ALA HA H 1 3.98 0.01 . 1 . . . . . . . . 6350 1 346 . 1 1 34 34 ALA HB1 H 1 1.32 0.01 . 1 . . . . . . . . 6350 1 347 . 1 1 34 34 ALA HB2 H 1 1.32 0.01 . 1 . . . . . . . . 6350 1 348 . 1 1 34 34 ALA HB3 H 1 1.32 0.01 . 1 . . . . . . . . 6350 1 349 . 1 1 34 34 ALA C C 13 175.66 0.01 . 1 . . . . . . . . 6350 1 350 . 1 1 34 34 ALA CA C 13 53.06 0.01 . 1 . . . . . . . . 6350 1 351 . 1 1 34 34 ALA CB C 13 15.37 0.01 . 1 . . . . . . . . 6350 1 352 . 1 1 34 34 ALA N N 15 121.05 0.01 . 1 . . . . . . . . 6350 1 353 . 1 1 35 35 ALA H H 1 8.61 0.01 . 1 . . . . . . . . 6350 1 354 . 1 1 35 35 ALA HA H 1 4.02 0.01 . 1 . . . . . . . . 6350 1 355 . 1 1 35 35 ALA HB1 H 1 1.48 0.01 . 1 . . . . . . . . 6350 1 356 . 1 1 35 35 ALA HB2 H 1 1.48 0.01 . 1 . . . . . . . . 6350 1 357 . 1 1 35 35 ALA HB3 H 1 1.48 0.01 . 1 . . . . . . . . 6350 1 358 . 1 1 35 35 ALA C C 13 178.15 0.01 . 1 . . . . . . . . 6350 1 359 . 1 1 35 35 ALA CA C 13 53.52 0.01 . 1 . . . . . . . . 6350 1 360 . 1 1 35 35 ALA CB C 13 15.93 0.01 . 1 . . . . . . . . 6350 1 361 . 1 1 35 35 ALA N N 15 121.15 0.01 . 1 . . . . . . . . 6350 1 362 . 1 1 36 36 PHE H H 1 8.37 0.01 . 1 . . . . . . . . 6350 1 363 . 1 1 36 36 PHE HA H 1 4.25 0.01 . 1 . . . . . . . . 6350 1 364 . 1 1 36 36 PHE HB2 H 1 3.28 0.01 . 1 . . . . . . . . 6350 1 365 . 1 1 36 36 PHE HB3 H 1 3.28 0.01 . 1 . . . . . . . . 6350 1 366 . 1 1 36 36 PHE HD1 H 1 7.26 0.01 . 1 . . . . . . . . 6350 1 367 . 1 1 36 36 PHE HD2 H 1 7.26 0.01 . 1 . . . . . . . . 6350 1 368 . 1 1 36 36 PHE C C 13 174.08 0.01 . 1 . . . . . . . . 6350 1 369 . 1 1 36 36 PHE CA C 13 59.27 0.01 . 1 . . . . . . . . 6350 1 370 . 1 1 36 36 PHE CB C 13 36.71 0.01 . 1 . . . . . . . . 6350 1 371 . 1 1 36 36 PHE N N 15 119.1 0.01 . 1 . . . . . . . . 6350 1 372 . 1 1 37 37 ALA H H 1 8.78 0.01 . 1 . . . . . . . . 6350 1 373 . 1 1 37 37 ALA HA H 1 3.94 0.01 . 1 . . . . . . . . 6350 1 374 . 1 1 37 37 ALA HB1 H 1 1.52 0.01 . 1 . . . . . . . . 6350 1 375 . 1 1 37 37 ALA HB2 H 1 1.52 0.01 . 1 . . . . . . . . 6350 1 376 . 1 1 37 37 ALA HB3 H 1 1.52 0.01 . 1 . . . . . . . . 6350 1 377 . 1 1 37 37 ALA C C 13 174.9 0.01 . 1 . . . . . . . . 6350 1 378 . 1 1 37 37 ALA CA C 13 53.17 0.01 . 1 . . . . . . . . 6350 1 379 . 1 1 37 37 ALA CB C 13 15.93 0.01 . 1 . . . . . . . . 6350 1 380 . 1 1 37 37 ALA N N 15 119.72 0.01 . 1 . . . . . . . . 6350 1 381 . 1 1 38 38 HIS H H 1 7.99 0.01 . 1 . . . . . . . . 6350 1 382 . 1 1 38 38 HIS HA H 1 4.1 0.01 . 1 . . . . . . . . 6350 1 383 . 1 1 38 38 HIS HB2 H 1 3.17 0.01 . 1 . . . . . . . . 6350 1 384 . 1 1 38 38 HIS HB3 H 1 3.32 0.01 . 1 . . . . . . . . 6350 1 385 . 1 1 38 38 HIS C C 13 176.86 0.01 . 1 . . . . . . . . 6350 1 386 . 1 1 38 38 HIS CA C 13 57.07 0.01 . 1 . . . . . . . . 6350 1 387 . 1 1 38 38 HIS CB C 13 25.77 0.01 . 1 . . . . . . . . 6350 1 388 . 1 1 38 38 HIS N N 15 111.99 0.01 . 1 . . . . . . . . 6350 1 389 . 1 1 39 39 LEU H H 1 7.98 0.01 . 1 . . . . . . . . 6350 1 390 . 1 1 39 39 LEU HA H 1 4.09 0.01 . 1 . . . . . . . . 6350 1 391 . 1 1 39 39 LEU HB2 H 1 1.72 0.01 . 1 . . . . . . . . 6350 1 392 . 1 1 39 39 LEU HB3 H 1 1.72 0.01 . 1 . . . . . . . . 6350 1 393 . 1 1 39 39 LEU HG H 1 1.83 0.01 . 1 . . . . . . . . 6350 1 394 . 1 1 39 39 LEU HD11 H 1 0.93 0.01 . 1 . . . . . . . . 6350 1 395 . 1 1 39 39 LEU HD12 H 1 0.93 0.01 . 1 . . . . . . . . 6350 1 396 . 1 1 39 39 LEU HD13 H 1 0.93 0.01 . 1 . . . . . . . . 6350 1 397 . 1 1 39 39 LEU HD21 H 1 0.93 0.01 . 1 . . . . . . . . 6350 1 398 . 1 1 39 39 LEU HD22 H 1 0.93 0.01 . 1 . . . . . . . . 6350 1 399 . 1 1 39 39 LEU HD23 H 1 0.93 0.01 . 1 . . . . . . . . 6350 1 400 . 1 1 39 39 LEU C C 13 173.66 0.01 . 1 . . . . . . . . 6350 1 401 . 1 1 39 39 LEU CA C 13 56.08 0.01 . 1 . . . . . . . . 6350 1 402 . 1 1 39 39 LEU CB C 13 39.45 0.01 . 1 . . . . . . . . 6350 1 403 . 1 1 39 39 LEU N N 15 119.6 0.01 . 1 . . . . . . . . 6350 1 404 . 1 1 40 40 LEU H H 1 7.96 0.01 . 1 . . . . . . . . 6350 1 405 . 1 1 40 40 LEU HA H 1 4.1 0.01 . 1 . . . . . . . . 6350 1 406 . 1 1 40 40 LEU HB2 H 1 1.43 0.01 . 1 . . . . . . . . 6350 1 407 . 1 1 40 40 LEU HB3 H 1 1.43 0.01 . 1 . . . . . . . . 6350 1 408 . 1 1 40 40 LEU HG H 1 1.71 0.01 . 1 . . . . . . . . 6350 1 409 . 1 1 40 40 LEU HD11 H 1 0.74 0.01 . 1 . . . . . . . . 6350 1 410 . 1 1 40 40 LEU HD12 H 1 0.74 0.01 . 1 . . . . . . . . 6350 1 411 . 1 1 40 40 LEU HD13 H 1 0.74 0.01 . 1 . . . . . . . . 6350 1 412 . 1 1 40 40 LEU HD21 H 1 0.74 0.01 . 1 . . . . . . . . 6350 1 413 . 1 1 40 40 LEU HD22 H 1 0.74 0.01 . 1 . . . . . . . . 6350 1 414 . 1 1 40 40 LEU HD23 H 1 0.74 0.01 . 1 . . . . . . . . 6350 1 415 . 1 1 40 40 LEU C C 13 175.57 0.01 . 1 . . . . . . . . 6350 1 416 . 1 1 40 40 LEU CA C 13 55.82 0.01 . 1 . . . . . . . . 6350 1 417 . 1 1 40 40 LEU CB C 13 39.45 0.01 . 1 . . . . . . . . 6350 1 418 . 1 1 40 40 LEU N N 15 116.83 0.01 . 1 . . . . . . . . 6350 1 419 . 1 1 41 41 VAL H H 1 7.52 0.01 . 1 . . . . . . . . 6350 1 420 . 1 1 41 41 VAL HA H 1 3.74 0.01 . 1 . . . . . . . . 6350 1 421 . 1 1 41 41 VAL HB H 1 2.14 0.01 . 1 . . . . . . . . 6350 1 422 . 1 1 41 41 VAL HG11 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 423 . 1 1 41 41 VAL HG12 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 424 . 1 1 41 41 VAL HG13 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 425 . 1 1 41 41 VAL HG21 H 1 1.05 0.01 . 1 . . . . . . . . 6350 1 426 . 1 1 41 41 VAL HG22 H 1 1.05 0.01 . 1 . . . . . . . . 6350 1 427 . 1 1 41 41 VAL HG23 H 1 1.05 0.01 . 1 . . . . . . . . 6350 1 428 . 1 1 41 41 VAL C C 13 176.05 0.01 . 1 . . . . . . . . 6350 1 429 . 1 1 41 41 VAL CA C 13 63.69 0.01 . 1 . . . . . . . . 6350 1 430 . 1 1 41 41 VAL CB C 13 29.59 0.01 . 1 . . . . . . . . 6350 1 431 . 1 1 41 41 VAL N N 15 114.26 0.01 . 1 . . . . . . . . 6350 1 432 . 1 1 42 42 TRP H H 1 7.8 0.01 . 1 . . . . . . . . 6350 1 433 . 1 1 42 42 TRP HA H 1 4.3 0.01 . 1 . . . . . . . . 6350 1 434 . 1 1 42 42 TRP HB2 H 1 3.28 0.01 . 1 . . . . . . . . 6350 1 435 . 1 1 42 42 TRP HB3 H 1 3.34 0.01 . 1 . . . . . . . . 6350 1 436 . 1 1 42 42 TRP HD1 H 1 7.11 0.01 . 1 . . . . . . . . 6350 1 437 . 1 1 42 42 TRP C C 13 173.58 0.01 . 1 . . . . . . . . 6350 1 438 . 1 1 42 42 TRP CA C 13 57.63 0.01 . 1 . . . . . . . . 6350 1 439 . 1 1 42 42 TRP CB C 13 27.41 0.01 . 1 . . . . . . . . 6350 1 440 . 1 1 42 42 TRP N N 15 118.67 0.01 . 1 . . . . . . . . 6350 1 441 . 1 1 43 43 ILE H H 1 7.95 0.01 . 1 . . . . . . . . 6350 1 442 . 1 1 43 43 ILE HA H 1 3.9 0.01 . 1 . . . . . . . . 6350 1 443 . 1 1 43 43 ILE HB H 1 1.94 0.01 . 1 . . . . . . . . 6350 1 444 . 1 1 43 43 ILE HG12 H 1 1.63 0.01 . 1 . . . . . . . . 6350 1 445 . 1 1 43 43 ILE HG13 H 1 1.63 0.01 . 1 . . . . . . . . 6350 1 446 . 1 1 43 43 ILE HG21 H 1 1.28 0.01 . 1 . . . . . . . . 6350 1 447 . 1 1 43 43 ILE HG22 H 1 1.28 0.01 . 1 . . . . . . . . 6350 1 448 . 1 1 43 43 ILE HG23 H 1 1.28 0.01 . 1 . . . . . . . . 6350 1 449 . 1 1 43 43 ILE HD11 H 1 0.81 0.01 . 1 . . . . . . . . 6350 1 450 . 1 1 43 43 ILE HD12 H 1 0.81 0.01 . 1 . . . . . . . . 6350 1 451 . 1 1 43 43 ILE HD13 H 1 0.81 0.01 . 1 . . . . . . . . 6350 1 452 . 1 1 43 43 ILE C C 13 175.25 0.01 . 1 . . . . . . . . 6350 1 453 . 1 1 43 43 ILE CA C 13 61.22 0.01 . 1 . . . . . . . . 6350 1 454 . 1 1 43 43 ILE CB C 13 36.17 0.01 . 1 . . . . . . . . 6350 1 455 . 1 1 43 43 ILE N N 15 114.22 0.01 . 1 . . . . . . . . 6350 1 456 . 1 1 44 44 TRP H H 1 7.76 0.01 . 1 . . . . . . . . 6350 1 457 . 1 1 44 44 TRP HA H 1 4.61 0.01 . 1 . . . . . . . . 6350 1 458 . 1 1 44 44 TRP HB2 H 1 3.2 0.01 . 1 . . . . . . . . 6350 1 459 . 1 1 44 44 TRP HB3 H 1 3.43 0.01 . 1 . . . . . . . . 6350 1 460 . 1 1 44 44 TRP HD1 H 1 7.27 0.01 . 1 . . . . . . . . 6350 1 461 . 1 1 44 44 TRP C C 13 174.7 0.01 . 1 . . . . . . . . 6350 1 462 . 1 1 44 44 TRP CA C 13 56.09 0.01 . 1 . . . . . . . . 6350 1 463 . 1 1 44 44 TRP CB C 13 27.41 0.01 . 1 . . . . . . . . 6350 1 464 . 1 1 44 44 TRP N N 15 118.45 0.01 . 1 . . . . . . . . 6350 1 465 . 1 1 45 45 ARG H H 1 7.63 0.01 . 1 . . . . . . . . 6350 1 466 . 1 1 45 45 ARG HA H 1 4.23 0.01 . 1 . . . . . . . . 6350 1 467 . 1 1 45 45 ARG C C 13 173.68 0.01 . 1 . . . . . . . . 6350 1 468 . 1 1 45 45 ARG CA C 13 53.36 0.01 . 1 . . . . . . . . 6350 1 469 . 1 1 45 45 ARG N N 15 118.99 0.01 . 1 . . . . . . . . 6350 1 470 . 1 1 46 46 PRO CA C 13 61.78 0.01 . 1 . . . . . . . . 6350 1 471 . 1 1 46 46 PRO CB C 13 28.5 0.01 . 1 . . . . . . . . 6350 1 472 . 1 1 47 47 TRP H H 1 7.59 0.01 . 1 . . . . . . . . 6350 1 473 . 1 1 47 47 TRP HA H 1 4.61 0.01 . 1 . . . . . . . . 6350 1 474 . 1 1 47 47 TRP HB2 H 1 3.28 0.01 . 1 . . . . . . . . 6350 1 475 . 1 1 47 47 TRP HB3 H 1 3.4 0.01 . 1 . . . . . . . . 6350 1 476 . 1 1 47 47 TRP HD1 H 1 7.14 0.01 . 1 . . . . . . . . 6350 1 477 . 1 1 47 47 TRP C C 13 173.06 0.01 . 1 . . . . . . . . 6350 1 478 . 1 1 47 47 TRP CA C 13 54.8 0.01 . 1 . . . . . . . . 6350 1 479 . 1 1 47 47 TRP CB C 13 29.5 0.01 . 1 . . . . . . . . 6350 1 480 . 1 1 47 47 TRP N N 15 116.51 0.01 . 1 . . . . . . . . 6350 1 481 . 1 1 48 48 VAL H H 1 7.51 0.01 . 1 . . . . . . . . 6350 1 482 . 1 1 48 48 VAL HA H 1 4.45 0.01 . 1 . . . . . . . . 6350 1 483 . 1 1 48 48 VAL HB H 1 2.03 0.01 . 1 . . . . . . . . 6350 1 484 . 1 1 48 48 VAL HG11 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 485 . 1 1 48 48 VAL HG12 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 486 . 1 1 48 48 VAL HG13 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 487 . 1 1 48 48 VAL HG21 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 488 . 1 1 48 48 VAL HG22 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 489 . 1 1 48 48 VAL HG23 H 1 0.89 0.01 . 1 . . . . . . . . 6350 1 490 . 1 1 48 48 VAL C C 13 172.69 0.01 . 1 . . . . . . . . 6350 1 491 . 1 1 48 48 VAL CA C 13 57.07 0.01 . 1 . . . . . . . . 6350 1 492 . 1 1 48 48 VAL CB C 13 29.59 0.01 . 1 . . . . . . . . 6350 1 493 . 1 1 48 48 VAL N N 15 118.9 0.01 . 1 . . . . . . . . 6350 1 494 . 1 1 49 49 PRO HB2 H 1 2.01 0.01 . 1 . . . . . . . . 6350 1 495 . 1 1 49 49 PRO HB3 H 1 2.01 0.01 . 1 . . . . . . . . 6350 1 496 . 1 1 49 49 PRO CA C 13 60.61 0.01 . 1 . . . . . . . . 6350 1 497 . 1 1 49 49 PRO CB C 13 29.59 0.01 . 1 . . . . . . . . 6350 1 498 . 1 1 50 50 GLY H H 1 7.77 0.01 . 1 . . . . . . . . 6350 1 499 . 1 1 50 50 GLY HA2 H 1 3.97 0.01 . 1 . . . . . . . . 6350 1 500 . 1 1 50 50 GLY HA3 H 1 3.97 0.01 . 1 . . . . . . . . 6350 1 501 . 1 1 50 50 GLY C C 13 173.43 0.01 . 1 . . . . . . . . 6350 1 502 . 1 1 50 50 GLY CA C 13 42.27 0.01 . 1 . . . . . . . . 6350 1 503 . 1 1 50 50 GLY N N 15 105.58 0.01 . 1 . . . . . . . . 6350 1 504 . 1 1 51 51 PRO HB2 H 1 2.07 0.01 . 1 . . . . . . . . 6350 1 505 . 1 1 51 51 PRO HB3 H 1 2.28 0.01 . 1 . . . . . . . . 6350 1 506 . 1 1 51 51 PRO CA C 13 61.82 0.01 . 1 . . . . . . . . 6350 1 507 . 1 1 51 51 PRO CB C 13 29.09 0.01 . 1 . . . . . . . . 6350 1 508 . 1 1 52 52 ASN H H 1 8.12 0.01 . 1 . . . . . . . . 6350 1 509 . 1 1 52 52 ASN HA H 1 4.57 0.01 . 1 . . . . . . . . 6350 1 510 . 1 1 52 52 ASN HB2 H 1 2.73 0.01 . 1 . . . . . . . . 6350 1 511 . 1 1 52 52 ASN HB3 H 1 2.73 0.01 . 1 . . . . . . . . 6350 1 512 . 1 1 52 52 ASN C C 13 173.03 0.01 . 1 . . . . . . . . 6350 1 513 . 1 1 52 52 ASN CA C 13 51.07 0.01 . 1 . . . . . . . . 6350 1 514 . 1 1 52 52 ASN CB C 13 36.17 0.01 . 1 . . . . . . . . 6350 1 515 . 1 1 52 52 ASN N N 15 113.74 0.01 . 1 . . . . . . . . 6350 1 516 . 1 1 53 53 GLY H H 1 8.14 0.01 . 1 . . . . . . . . 6350 1 517 . 1 1 53 53 GLY HA2 H 1 3.67 0.01 . 1 . . . . . . . . 6350 1 518 . 1 1 53 53 GLY HA3 H 1 3.98 0.01 . 1 . . . . . . . . 6350 1 519 . 1 1 53 53 GLY C C 13 172.67 0.01 . 1 . . . . . . . . 6350 1 520 . 1 1 53 53 GLY CA C 13 43.64 0.01 . 1 . . . . . . . . 6350 1 521 . 1 1 53 53 GLY N N 15 105.93 0.01 . 1 . . . . . . . . 6350 1 522 . 1 1 54 54 TYR H H 1 7.9 0.01 . 1 . . . . . . . . 6350 1 523 . 1 1 54 54 TYR HA H 1 4.69 0.01 . 1 . . . . . . . . 6350 1 524 . 1 1 54 54 TYR HB2 H 1 2.85 0.01 . 1 . . . . . . . . 6350 1 525 . 1 1 54 54 TYR HB3 H 1 3.04 0.01 . 1 . . . . . . . . 6350 1 526 . 1 1 54 54 TYR CA C 13 55.71 0.01 . 1 . . . . . . . . 6350 1 527 . 1 1 54 54 TYR CB C 13 36.75 0.01 . 1 . . . . . . . . 6350 1 528 . 1 1 54 54 TYR C C 13 172.47 0.01 . 1 . . . . . . . . 6350 1 529 . 1 1 54 54 TYR N N 15 117.9 0.01 . 1 . . . . . . . . 6350 1 530 . 1 1 55 55 SER H H 1 7.87 0.01 . 1 . . . . . . . . 6350 1 531 . 1 1 55 55 SER HA H 1 3.94 0.01 . 1 . . . . . . . . 6350 1 532 . 1 1 55 55 SER HB2 H 1 4.52 0.01 . 1 . . . . . . . . 6350 1 533 . 1 1 55 55 SER HB3 H 1 4.52 0.01 . 1 . . . . . . . . 6350 1 534 . 1 1 55 55 SER HG H 1 4.64 0.01 . 1 . . . . . . . . 6350 1 535 . 1 1 55 55 SER CA C 13 55.09 0.01 . 1 . . . . . . . . 6350 1 536 . 1 1 55 55 SER CB C 13 62.41 0.01 . 1 . . . . . . . . 6350 1 537 . 1 1 55 55 SER N N 15 113.98 0.01 . 1 . . . . . . . . 6350 1 stop_ save_