data_6969 save_study_list _Study_list.Sf_category study_list _Study_list.Sf_framecode study_list _Study_list.Entry_ID 6969 _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID . 'Investigation of SARS-CoV S2-HR2 domain in its trimeric stae' 'Structure analysis' . 6969 1 stop_ save_ ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6969 _Entry.Title ; Chemical Shift Assignment for SARS-CoV S2-HR2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-02-06 _Entry.Accession_date 2006-02-06 _Entry.Last_release_date 2006-04-27 _Entry.Original_release_date 2006-04-27 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _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 Susanna Hakansson-McReynolds . . . 6969 2 Michael Caffrey . . . 6969 3 Shaokai Jiang . . . 6969 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6969 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 213 6969 '15N chemical shifts' 58 6969 '1H chemical shifts' 333 6969 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 . . 2006-04-27 2006-02-06 original author . 6969 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2FXP 'BMRB Entry Tracking System' 6969 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6969 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16507566 _Citation.Full_citation . _Citation.Title 'Solution structure of the SARS-coronavirus HR2 domain in the prefusion state' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 281 _Citation.Journal_issue 17 _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 11965 _Citation.Page_last 11971 _Citation.Year 2006 _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 Susanna Hakansson-McReynolds . . . 6969 1 2 Shaokai Jiang . . . 6969 1 3 Lijun Rong . . . 6969 1 4 Michael Caffrey . . . 6969 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6969 _Assembly.ID 1 _Assembly.Name 'S2-HR2 trimer' _Assembly.BMRB_code . _Assembly.Number_of_components 3 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _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 protein 6969 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 'S2-HR2, chain 1' 1 $Sars-CoV_S2_peptide . . yes native no no . . . 6969 1 2 'S2-HR2, chain 2' 1 $Sars-CoV_S2_peptide . . yes native no no . . . 6969 1 3 'S2-HR2, chain 3' 1 $Sars-CoV_S2_peptide . . yes native no no . . . 6969 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Sars-CoV_S2_peptide _Entity.Sf_category entity _Entity.Sf_framecode Sars-CoV_S2_peptide _Entity.Entry_ID 6969 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name S2-Hr2 _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 ; GSHTSPDVDLGDISGINASV VNIQKEIDRLNEVAKNLNES LIDLQELGKYEQYIK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 55 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1WNC . "Crystal Structure Of The Sars-Cov Spike Protein Fusion Core" . . . . . 76.36 112 97.62 100.00 5.68e-18 . . . . 6969 1 2 no PDB 1ZV7 . "A Structure-Based Mechanism Of Sars Virus Membrane Fusion" . . . . . 80.00 44 100.00 100.00 3.51e-20 . . . . 6969 1 3 no PDB 1ZV8 . "A Structure-Based Mechanism Of Sars Virus Membrane Fusion" . . . . . 65.45 36 100.00 100.00 1.24e-13 . . . . 6969 1 4 no PDB 1ZVA . "A Structure-Based Mechanism Of Sars Virus Membrane Fusion" . . . . . 63.64 77 100.00 100.00 3.94e-13 . . . . 6969 1 5 no PDB 2BEQ . "Structure Of A Proteolytically Resistant Core From The Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein" . . . . . 83.64 48 100.00 100.00 1.18e-21 . . . . 6969 1 6 no PDB 2BEZ . "Structure Of A Proteolitically Resistant Core From The Severe Acute Respiratory Syndrome Coronavirus S2 Fusion Protein" . . . . . 76.36 42 100.00 100.00 9.92e-19 . . . . 6969 1 7 no PDB 2FXP . "Solution Structure Of The Sars-Coronavirus Hr2 Domain" . . . . . 100.00 55 100.00 100.00 2.02e-29 . . . . 6969 1 8 no DBJ BAC81348 . "spike protein S [SARS coronavirus TWH]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 9 no DBJ BAC81362 . "spike protein S [SARS coronavirus TWJ]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 10 no DBJ BAC81376 . "spike protein S [SARS coronavirus TWK]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 11 no DBJ BAC81390 . "spike protein S [SARS coronavirus TWS]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 12 no DBJ BAC81404 . "spike protein S [SARS coronavirus TWY]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 13 no GB AAP13441 . "S protein [SARS coronavirus Urbani]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 14 no GB AAP13567 . "putative E2 glycoprotein precursor [SARS coronavirus CUHK-W1]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 15 no GB AAP30030 . "spike glycoprotein S [SARS coronavirus BJ01]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 16 no GB AAP30713 . "putative spike glycoprotein [SARS coronavirus CUHK-Su10]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 17 no GB AAP37017 . "putative spike glycoprotein S [SARS coronavirus TW1]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 18 no REF NP_828851 . "E2 glycoprotein precursor [SARS coronavirus]" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 19 no SP P59594 . "RecName: Full=Spike glycoprotein; Short=S glycoprotein; AltName: Full=E2; AltName: Full=Peplomer protein; Contains: RecName: Fu" . . . . . 98.18 1255 98.15 100.00 1.88e-26 . . . . 6969 1 20 no SP Q0Q475 . "RecName: Full=Spike glycoprotein; Short=S glycoprotein; AltName: Full=E2; AltName: Full=Peplomer protein; Contains: RecName: Fu" . . . . . 98.18 1241 98.15 100.00 4.04e-26 . . . . 6969 1 21 no SP Q3I5J5 . "RecName: Full=Spike glycoprotein; Short=S glycoprotein; AltName: Full=E2; AltName: Full=Peplomer protein; Contains: RecName: Fu" . . . . . 98.18 1241 98.15 100.00 2.88e-26 . . . . 6969 1 22 no SP Q3LZX1 . "RecName: Full=Spike glycoprotein; Short=S glycoprotein; AltName: Full=E2; AltName: Full=Peplomer protein; Contains: RecName: Fu" . . . . . 98.18 1242 98.15 100.00 3.53e-26 . . . . 6969 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 . GLY . 6969 1 2 . SER . 6969 1 3 . HIS . 6969 1 4 . THR . 6969 1 5 . SER . 6969 1 6 . PRO . 6969 1 7 . ASP . 6969 1 8 . VAL . 6969 1 9 . ASP . 6969 1 10 . LEU . 6969 1 11 . GLY . 6969 1 12 . ASP . 6969 1 13 . ILE . 6969 1 14 . SER . 6969 1 15 . GLY . 6969 1 16 . ILE . 6969 1 17 . ASN . 6969 1 18 . ALA . 6969 1 19 . SER . 6969 1 20 . VAL . 6969 1 21 . VAL . 6969 1 22 . ASN . 6969 1 23 . ILE . 6969 1 24 . GLN . 6969 1 25 . LYS . 6969 1 26 . GLU . 6969 1 27 . ILE . 6969 1 28 . ASP . 6969 1 29 . ARG . 6969 1 30 . LEU . 6969 1 31 . ASN . 6969 1 32 . GLU . 6969 1 33 . VAL . 6969 1 34 . ALA . 6969 1 35 . LYS . 6969 1 36 . ASN . 6969 1 37 . LEU . 6969 1 38 . ASN . 6969 1 39 . GLU . 6969 1 40 . SER . 6969 1 41 . LEU . 6969 1 42 . ILE . 6969 1 43 . ASP . 6969 1 44 . LEU . 6969 1 45 . GLN . 6969 1 46 . GLU . 6969 1 47 . LEU . 6969 1 48 . GLY . 6969 1 49 . LYS . 6969 1 50 . TYR . 6969 1 51 . GLU . 6969 1 52 . GLN . 6969 1 53 . TYR . 6969 1 54 . ILE . 6969 1 55 . LYS . 6969 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 . GLY 1 1 6969 1 . SER 2 2 6969 1 . HIS 3 3 6969 1 . THR 4 4 6969 1 . SER 5 5 6969 1 . PRO 6 6 6969 1 . ASP 7 7 6969 1 . VAL 8 8 6969 1 . ASP 9 9 6969 1 . LEU 10 10 6969 1 . GLY 11 11 6969 1 . ASP 12 12 6969 1 . ILE 13 13 6969 1 . SER 14 14 6969 1 . GLY 15 15 6969 1 . ILE 16 16 6969 1 . ASN 17 17 6969 1 . ALA 18 18 6969 1 . SER 19 19 6969 1 . VAL 20 20 6969 1 . VAL 21 21 6969 1 . ASN 22 22 6969 1 . ILE 23 23 6969 1 . GLN 24 24 6969 1 . LYS 25 25 6969 1 . GLU 26 26 6969 1 . ILE 27 27 6969 1 . ASP 28 28 6969 1 . ARG 29 29 6969 1 . LEU 30 30 6969 1 . ASN 31 31 6969 1 . GLU 32 32 6969 1 . VAL 33 33 6969 1 . ALA 34 34 6969 1 . LYS 35 35 6969 1 . ASN 36 36 6969 1 . LEU 37 37 6969 1 . ASN 38 38 6969 1 . GLU 39 39 6969 1 . SER 40 40 6969 1 . LEU 41 41 6969 1 . ILE 42 42 6969 1 . ASP 43 43 6969 1 . LEU 44 44 6969 1 . GLN 45 45 6969 1 . GLU 46 46 6969 1 . LEU 47 47 6969 1 . GLY 48 48 6969 1 . LYS 49 49 6969 1 . TYR 50 50 6969 1 . GLU 51 51 6969 1 . GLN 52 52 6969 1 . TYR 53 53 6969 1 . ILE 54 54 6969 1 . LYS 55 55 6969 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 6969 _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 $Sars-CoV_S2_peptide . 227859 virus . 'SARS coronavirus' 'SARS coronavirus' . . Viruses . Coronavirus 'SARS coronavirus' . . . . . . . . . . . . . . . . . . . . . 6969 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 6969 _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 $Sars-CoV_S2_peptide . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6969 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6969 _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 S2-Hr2 '[U-95% 13C; U-95% 15N]' . . 1 $Sars-CoV_S2_peptide . protein 1 . . mM 0.1 . . . 6969 1 2 TFE . . . . . . solvent 30 . . % . . . . 6969 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6969 _Sample_condition_list.ID 1 _Sample_condition_list.Details '10mM PO4, pH 7.0, 30% TFE' 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 7 0.1 pH 6969 1 temperature 298 0.1 K 6969 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 6969 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'Cryogenic triple resonance probe' _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6969 _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 '1H15N HSQC' yes . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6969 1 2 HNC0 yes . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6969 1 3 CBCA(CO)NH yes . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6969 1 4 CBCANH yes . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6969 1 5 '15N-edited TOCSY-HSQC' yes . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6969 1 6 HCC(CO)NH yes . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6969 1 7 CC(CO)NH yes . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6969 1 8 '1H15N NOESY-HSQC' yes . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6969 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6969 _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 C 13 H2O protons . . . . ppm 4.773 external indirect . . . . 1 $citation_1 . . 1 $citation_1 6969 1 H 1 H2O protons . . . . ppm 4.773 internal indirect 1.0 . . . 1 $citation_1 . . 1 $citation_1 6969 1 N 15 H2O protons . . . . ppm 4.773 external indirect . . . . 1 $citation_1 . . 1 $citation_1 6969 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6969 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _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 isotropic 6969 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 3 3 HIS HA H 1 4.6 0.01 . 9 . . . . 3 HIS HA . 6969 1 2 . 1 1 3 3 HIS HB2 H 1 3.04 0.01 . 1 . . . . 3 HIS HB2 . 6969 1 3 . 1 1 3 3 HIS HB3 H 1 3.04 0.01 . 1 . . . . 3 HIS HB3 . 6969 1 4 . 1 1 3 3 HIS CA C 13 56.6 0.1 . 1 . . . . 3 HIS CA . 6969 1 5 . 1 1 3 3 HIS CB C 13 30.4 0.1 . 1 . . . . 3 HIS CB . 6969 1 6 . 1 1 4 4 THR H H 1 7.92 0.01 . 1 . . . . 4 THR H . 6969 1 7 . 1 1 4 4 THR HA H 1 4.27 0.01 . 9 . . . . 4 THR HA . 6969 1 8 . 1 1 4 4 THR C C 13 173.9 0.1 . 1 . . . . 4 THR C . 6969 1 9 . 1 1 4 4 THR CA C 13 61.6 0.1 . 1 . . . . 4 THR CA . 6969 1 10 . 1 1 4 4 THR CB C 13 69.7 0.1 . 1 . . . . 4 THR CB . 6969 1 11 . 1 1 4 4 THR CG2 C 13 21.4 0.1 . 1 . . . . 4 THR CG2 . 6969 1 12 . 1 1 4 4 THR N N 15 113.68 0.01 . 1 . . . . 4 THR N . 6969 1 13 . 1 1 5 5 SER H H 1 8.04 0.01 . 1 . . . . 5 SER H . 6969 1 14 . 1 1 5 5 SER HA H 1 4.24 0.01 . 1 . . . . 5 SER HA . 6969 1 15 . 1 1 5 5 SER HB2 H 1 3.8 0.01 . 1 . . . . 5 SER HB2 . 6969 1 16 . 1 1 5 5 SER HB3 H 1 3.8 0.01 . 1 . . . . 5 SER HB3 . 6969 1 17 . 1 1 5 5 SER CA C 13 56.2 0.1 . 1 . . . . 5 SER CA . 6969 1 18 . 1 1 5 5 SER CB C 13 63.6 0.1 . 1 . . . . 5 SER CB . 6969 1 19 . 1 1 5 5 SER N N 15 118.22 0.01 . 1 . . . . 5 SER N . 6969 1 20 . 1 1 6 6 PRO HD2 H 1 3.69 0.01 . 1 . . . . 6 PRO HD2 . 6969 1 21 . 1 1 6 6 PRO HD3 H 1 3.69 0.01 . 1 . . . . 6 PRO HD3 . 6969 1 22 . 1 1 6 6 PRO C C 13 176.25 0.1 . 1 . . . . 6 PRO C . 6969 1 23 . 1 1 6 6 PRO CA C 13 63.6 0.1 . 1 . . . . 6 PRO CA . 6969 1 24 . 1 1 6 6 PRO CB C 13 31.8 0.1 . 1 . . . . 6 PRO CB . 6969 1 25 . 1 1 6 6 PRO CG C 13 27.0 0.1 . 1 . . . . 6 PRO CG . 6969 1 26 . 1 1 6 6 PRO CD C 13 50.5 0.1 . 1 . . . . 6 PRO CD . 6969 1 27 . 1 1 7 7 ASP H H 1 8.21 0.01 . 1 . . . . 7 ASP H . 6969 1 28 . 1 1 7 7 ASP HA H 1 4.5 0.01 . 1 . . . . 7 ASP HA . 6969 1 29 . 1 1 7 7 ASP HB2 H 1 2.56 0.01 . 1 . . . . 7 ASP HB2 . 6969 1 30 . 1 1 7 7 ASP HB3 H 1 2.56 0.01 . 1 . . . . 7 ASP HB3 . 6969 1 31 . 1 1 7 7 ASP C C 13 175.82 0.1 . 1 . . . . 7 ASP C . 6969 1 32 . 1 1 7 7 ASP CA C 13 54.5 0.1 . 1 . . . . 7 ASP CA . 6969 1 33 . 1 1 7 7 ASP CB C 13 40.8 0.1 . 1 . . . . 7 ASP CB . 6969 1 34 . 1 1 7 7 ASP N N 15 119.15 0.01 . 1 . . . . 7 ASP N . 6969 1 35 . 1 1 8 8 VAL H H 1 7.68 0.01 . 1 . . . . 8 VAL H . 6969 1 36 . 1 1 8 8 VAL HA H 1 4.03 0.01 . 1 . . . . 8 VAL HA . 6969 1 37 . 1 1 8 8 VAL HB H 1 1.96 0.01 . 1 . . . . 8 VAL HB . 6969 1 38 . 1 1 8 8 VAL HG11 H 1 0.80 0.01 . 2 . . . . 8 VAL HG1 . 6969 1 39 . 1 1 8 8 VAL HG12 H 1 0.80 0.01 . 2 . . . . 8 VAL HG1 . 6969 1 40 . 1 1 8 8 VAL HG13 H 1 0.80 0.01 . 2 . . . . 8 VAL HG1 . 6969 1 41 . 1 1 8 8 VAL HG21 H 1 0.84 0.01 . 2 . . . . 8 VAL HG2 . 6969 1 42 . 1 1 8 8 VAL HG22 H 1 0.84 0.01 . 2 . . . . 8 VAL HG2 . 6969 1 43 . 1 1 8 8 VAL HG23 H 1 0.84 0.01 . 2 . . . . 8 VAL HG2 . 6969 1 44 . 1 1 8 8 VAL C C 13 175.1 0.1 . 1 . . . . 8 VAL C . 6969 1 45 . 1 1 8 8 VAL CA C 13 62.2 0.1 . 1 . . . . 8 VAL CA . 6969 1 46 . 1 1 8 8 VAL CB C 13 33.2 0.1 . 1 . . . . 8 VAL CB . 6969 1 47 . 1 1 8 8 VAL N N 15 118.71 0.01 . 1 . . . . 8 VAL N . 6969 1 48 . 1 1 9 9 ASP H H 1 8.28 0.01 . 1 . . . . 9 ASP H . 6969 1 49 . 1 1 9 9 ASP HA H 1 4.61 0.01 . 1 . . . . 9 ASP HA . 6969 1 50 . 1 1 9 9 ASP HB2 H 1 2.5 0.01 . 2 . . . . 9 ASP HB2 . 6969 1 51 . 1 1 9 9 ASP HB3 H 1 2.75 0.01 . 2 . . . . 9 ASP HB3 . 6969 1 52 . 1 1 9 9 ASP C C 13 176.4 0.1 . 1 . . . . 9 ASP C . 6969 1 53 . 1 1 9 9 ASP CA C 13 54.0 0.1 . 1 . . . . 9 ASP CA . 6969 1 54 . 1 1 9 9 ASP CB C 13 41.2 0.1 . 1 . . . . 9 ASP CB . 6969 1 55 . 1 1 9 9 ASP N N 15 123.70 0.01 . 1 . . . . 9 ASP N . 6969 1 56 . 1 1 10 10 LEU H H 1 8.19 0.01 . 1 . . . . 10 LEU H . 6969 1 57 . 1 1 10 10 LEU HA H 1 4.14 0.01 . 1 . . . . 10 LEU HA . 6969 1 58 . 1 1 10 10 LEU HB2 H 1 1.57 0.01 . 1 . . . . 10 LEU HB2 . 6969 1 59 . 1 1 10 10 LEU HB3 H 1 1.57 0.01 . 1 . . . . 10 LEU HB3 . 6969 1 60 . 1 1 10 10 LEU HD11 H 1 0.78 0.01 . 1 . . . . 10 LEU HD1 . 6969 1 61 . 1 1 10 10 LEU HD12 H 1 0.78 0.01 . 1 . . . . 10 LEU HD1 . 6969 1 62 . 1 1 10 10 LEU HD13 H 1 0.78 0.01 . 1 . . . . 10 LEU HD1 . 6969 1 63 . 1 1 10 10 LEU HD21 H 1 0.78 0.01 . 1 . . . . 10 LEU HD2 . 6969 1 64 . 1 1 10 10 LEU HD22 H 1 0.78 0.01 . 1 . . . . 10 LEU HD2 . 6969 1 65 . 1 1 10 10 LEU HD23 H 1 0.78 0.01 . 1 . . . . 10 LEU HD2 . 6969 1 66 . 1 1 10 10 LEU C C 13 178.25 0.1 . 1 . . . . 10 LEU C . 6969 1 67 . 1 1 10 10 LEU CA C 13 56.0 0.1 . 1 . . . . 10 LEU CA . 6969 1 68 . 1 1 10 10 LEU CB C 13 41.9 0.1 . 1 . . . . 10 LEU CB . 6969 1 69 . 1 1 10 10 LEU CG C 13 26.85 0.1 . 1 . . . . 10 LEU CG . 6969 1 70 . 1 1 10 10 LEU CD1 C 13 24.5 0.1 . 1 . . . . 10 LEU CD1 . 6969 1 71 . 1 1 10 10 LEU CD2 C 13 22.8 0.1 . 1 . . . . 10 LEU CD2 . 6969 1 72 . 1 1 10 10 LEU N N 15 123.43 0.01 . 1 . . . . 10 LEU N . 6969 1 73 . 1 1 11 11 GLY H H 1 8.37 0.01 . 1 . . . . 11 GLY H . 6969 1 74 . 1 1 11 11 GLY HA2 H 1 3.8 0.01 . 1 . . . . 11 GLY HA2 . 6969 1 75 . 1 1 11 11 GLY HA3 H 1 3.8 0.01 . 1 . . . . 11 GLY HA3 . 6969 1 76 . 1 1 11 11 GLY C C 13 174.55 0.1 . 1 . . . . 11 GLY C . 6969 1 77 . 1 1 11 11 GLY CA C 13 45.8 0.1 . 1 . . . . 11 GLY CA . 6969 1 78 . 1 1 11 11 GLY N N 15 107.63 0.01 . 1 . . . . 11 GLY N . 6969 1 79 . 1 1 12 12 ASP H H 1 7.72 0.01 . 1 . . . . 12 ASP H . 6969 1 80 . 1 1 12 12 ASP HA H 1 4.64 0.01 . 1 . . . . 12 ASP HA . 6969 1 81 . 1 1 12 12 ASP HB2 H 1 2.65 0.01 . 1 . . . . 12 ASP HB2 . 6969 1 82 . 1 1 12 12 ASP HB3 H 1 2.65 0.01 . 1 . . . . 12 ASP HB3 . 6969 1 83 . 1 1 12 12 ASP C C 13 177.25 0.1 . 1 . . . . 12 ASP C . 6969 1 84 . 1 1 12 12 ASP CA C 13 54.75 0.1 . 1 . . . . 12 ASP CA . 6969 1 85 . 1 1 12 12 ASP CB C 13 41.0 0.1 . 1 . . . . 12 ASP CB . 6969 1 86 . 1 1 12 12 ASP N N 15 120.40 0.01 . 1 . . . . 12 ASP N . 6969 1 87 . 1 1 13 13 ILE H H 1 7.92 0.01 . 1 . . . . 13 ILE H . 6969 1 88 . 1 1 13 13 ILE HA H 1 4.02 0.01 . 1 . . . . 13 ILE HA . 6969 1 89 . 1 1 13 13 ILE HB H 1 1.9 0.01 . 1 . . . . 13 ILE HB . 6969 1 90 . 1 1 13 13 ILE HG12 H 1 1.4 0.01 . 1 . . . . 13 ILE HG12 . 6969 1 91 . 1 1 13 13 ILE HG13 H 1 1.15 0.01 . 1 . . . . 13 ILE HG13 . 6969 1 92 . 1 1 13 13 ILE HG21 H 1 0.81 0.01 . 4 . . . . 13 ILE HG2 . 6969 1 93 . 1 1 13 13 ILE HG22 H 1 0.81 0.01 . 4 . . . . 13 ILE HG2 . 6969 1 94 . 1 1 13 13 ILE HG23 H 1 0.81 0.01 . 4 . . . . 13 ILE HG2 . 6969 1 95 . 1 1 13 13 ILE HD11 H 1 0.81 0.01 . 4 . . . . 13 ILE HD1 . 6969 1 96 . 1 1 13 13 ILE HD12 H 1 0.81 0.01 . 4 . . . . 13 ILE HD1 . 6969 1 97 . 1 1 13 13 ILE HD13 H 1 0.81 0.01 . 4 . . . . 13 ILE HD1 . 6969 1 98 . 1 1 13 13 ILE C C 13 176.85 0.1 . 1 . . . . 13 ILE C . 6969 1 99 . 1 1 13 13 ILE CA C 13 62.5 0.1 . 1 . . . . 13 ILE CA . 6969 1 100 . 1 1 13 13 ILE CB C 13 38.15 0.1 . 1 . . . . 13 ILE CB . 6969 1 101 . 1 1 13 13 ILE CG1 C 13 27.4 0.1 . 1 . . . . 13 ILE CG1 . 6969 1 102 . 1 1 13 13 ILE CG2 C 13 17.3 0.1 . 1 . . . . 13 ILE CG2 . 6969 1 103 . 1 1 13 13 ILE CD1 C 13 12.9 0.1 . 1 . . . . 13 ILE CD1 . 6969 1 104 . 1 1 13 13 ILE N N 15 119.94 0.01 . 1 . . . . 13 ILE N . 6969 1 105 . 1 1 14 14 SER H H 1 8.23 0.01 . 1 . . . . 14 SER H . 6969 1 106 . 1 1 14 14 SER HA H 1 4.2 0.01 . 1 . . . . 14 SER HA . 6969 1 107 . 1 1 14 14 SER HB2 H 1 3.85 0.01 . 1 . . . . 14 SER HB2 . 6969 1 108 . 1 1 14 14 SER HB3 H 1 3.85 0.01 . 1 . . . . 14 SER HB3 . 6969 1 109 . 1 1 14 14 SER C C 13 175.84 0.1 . 1 . . . . 14 SER C . 6969 1 110 . 1 1 14 14 SER CA C 13 60.4 0.1 . 1 . . . . 14 SER CA . 6969 1 111 . 1 1 14 14 SER CB C 13 63.4 0.1 . 1 . . . . 14 SER CB . 6969 1 112 . 1 1 14 14 SER N N 15 116.65 0.01 . 1 . . . . 14 SER N . 6969 1 113 . 1 1 15 15 GLY H H 1 8.03 0.01 . 1 . . . . 15 GLY H . 6969 1 114 . 1 1 15 15 GLY HA2 H 1 3.91 0.01 . 1 . . . . 15 GLY HA2 . 6969 1 115 . 1 1 15 15 GLY HA3 H 1 3.91 0.01 . 1 . . . . 15 GLY HA3 . 6969 1 116 . 1 1 15 15 GLY C C 13 175.3 0.1 . 1 . . . . 15 GLY C . 6969 1 117 . 1 1 15 15 GLY CA C 13 45.9 0.1 . 1 . . . . 15 GLY CA . 6969 1 118 . 1 1 15 15 GLY N N 15 109.78 0.01 . 1 . . . . 15 GLY N . 6969 1 119 . 1 1 16 16 ILE H H 1 7.84 0.01 . 1 . . . . 16 ILE H . 6969 1 120 . 1 1 16 16 ILE HA H 1 3.87 0.01 . 1 . . . . 16 ILE HA . 6969 1 121 . 1 1 16 16 ILE HB H 1 1.8 0.01 . 1 . . . . 16 ILE HB . 6969 1 122 . 1 1 16 16 ILE HG12 H 1 1.47 0.01 . 1 . . . . 16 ILE HG12 . 6969 1 123 . 1 1 16 16 ILE HG13 H 1 1.05 0.01 . 1 . . . . 16 ILE HG13 . 6969 1 124 . 1 1 16 16 ILE HD11 H 1 0.8 0.01 . 1 . . . . 16 ILE HD1 . 6969 1 125 . 1 1 16 16 ILE HD12 H 1 0.8 0.01 . 1 . . . . 16 ILE HD1 . 6969 1 126 . 1 1 16 16 ILE HD13 H 1 0.8 0.01 . 1 . . . . 16 ILE HD1 . 6969 1 127 . 1 1 16 16 ILE C C 13 176.69 0.1 . 1 . . . . 16 ILE C . 6969 1 128 . 1 1 16 16 ILE CA C 13 63.3 0.1 . 1 . . . . 16 ILE CA . 6969 1 129 . 1 1 16 16 ILE CB C 13 38.2 0.1 . 1 . . . . 16 ILE CB . 6969 1 130 . 1 1 16 16 ILE CG1 C 13 28.0 0.1 . 1 . . . . 16 ILE CG1 . 6969 1 131 . 1 1 16 16 ILE CG2 C 13 16.7 0.1 . 1 . . . . 16 ILE CG2 . 6969 1 132 . 1 1 16 16 ILE CD1 C 13 12.5 0.1 . 1 . . . . 16 ILE CD1 . 6969 1 133 . 1 1 16 16 ILE N N 15 121.55 0.01 . 1 . . . . 16 ILE N . 6969 1 134 . 1 1 17 17 ASN H H 1 8.09 0.01 . 1 . . . . 17 ASN H . 6969 1 135 . 1 1 17 17 ASN HA H 1 4.45 0.01 . 1 . . . . 17 ASN HA . 6969 1 136 . 1 1 17 17 ASN HB2 H 1 2.74 0.01 . 1 . . . . 17 ASN HB2 . 6969 1 137 . 1 1 17 17 ASN HB3 H 1 2.74 0.01 . 1 . . . . 17 ASN HB3 . 6969 1 138 . 1 1 17 17 ASN HD21 H 1 7.44 0.01 . 1 . . . . 17 ASN HD21 . 6969 1 139 . 1 1 17 17 ASN HD22 H 1 6.64 0.01 . 1 . . . . 17 ASN HD22 . 6969 1 140 . 1 1 17 17 ASN C C 13 176.02 0.1 . 1 . . . . 17 ASN C . 6969 1 141 . 1 1 17 17 ASN CA C 13 54.6 0.1 . 1 . . . . 17 ASN CA . 6969 1 142 . 1 1 17 17 ASN CB C 13 38.4 0.1 . 1 . . . . 17 ASN CB . 6969 1 143 . 1 1 17 17 ASN CG C 13 176.02 0.1 . 1 . . . . 17 ASN CG . 6969 1 144 . 1 1 17 17 ASN N N 15 119.61 0.01 . 1 . . . . 17 ASN N . 6969 1 145 . 1 1 17 17 ASN ND2 N 15 110.82 0.01 . 1 . . . . 17 ASN ND2 . 6969 1 146 . 1 1 18 18 ALA H H 1 8.12 0.01 . 1 . . . . 18 ALA H . 6969 1 147 . 1 1 18 18 ALA HA H 1 4.03 0.01 . 1 . . . . 18 ALA HA . 6969 1 148 . 1 1 18 18 ALA HB1 H 1 1.39 0.01 . 1 . . . . 18 ALA HB . 6969 1 149 . 1 1 18 18 ALA HB2 H 1 1.39 0.01 . 1 . . . . 18 ALA HB . 6969 1 150 . 1 1 18 18 ALA HB3 H 1 1.39 0.01 . 1 . . . . 18 ALA HB . 6969 1 151 . 1 1 18 18 ALA C C 13 179.1 0.1 . 1 . . . . 18 ALA C . 6969 1 152 . 1 1 18 18 ALA CA C 13 54.55 0.1 . 1 . . . . 18 ALA CA . 6969 1 153 . 1 1 18 18 ALA CB C 13 18.1 0.1 . 1 . . . . 18 ALA CB . 6969 1 154 . 1 1 18 18 ALA N N 15 121.61 0.01 . 1 . . . . 18 ALA N . 6969 1 155 . 1 1 19 19 SER H H 1 7.97 0.01 . 1 . . . . 19 SER H . 6969 1 156 . 1 1 19 19 SER HA H 1 4.28 0.01 . 1 . . . . 19 SER HA . 6969 1 157 . 1 1 19 19 SER HB2 H 1 3.84 0.01 . 1 . . . . 19 SER HB2 . 6969 1 158 . 1 1 19 19 SER HB3 H 1 3.84 0.01 . 1 . . . . 19 SER HB3 . 6969 1 159 . 1 1 19 19 SER C C 13 175.55 0.1 . 1 . . . . 19 SER C . 6969 1 160 . 1 1 19 19 SER CA C 13 61.35 0.1 . 1 . . . . 19 SER CA . 6969 1 161 . 1 1 19 19 SER CB C 13 62.9 0.1 . 1 . . . . 19 SER CB . 6969 1 162 . 1 1 19 19 SER N N 15 113.61 0.01 . 1 . . . . 19 SER N . 6969 1 163 . 1 1 20 20 VAL H H 1 7.87 0.01 . 1 . . . . 20 VAL H . 6969 1 164 . 1 1 20 20 VAL HA H 1 3.69 0.01 . 1 . . . . 20 VAL HA . 6969 1 165 . 1 1 20 20 VAL HB H 1 2.09 0.01 . 9 . . . . 20 VAL HB . 6969 1 166 . 1 1 20 20 VAL HG11 H 1 0.95 0.01 . 1 . . . . 20 VAL HG1 . 6969 1 167 . 1 1 20 20 VAL HG12 H 1 0.95 0.01 . 1 . . . . 20 VAL HG1 . 6969 1 168 . 1 1 20 20 VAL HG13 H 1 0.95 0.01 . 1 . . . . 20 VAL HG1 . 6969 1 169 . 1 1 20 20 VAL HG21 H 1 0.87 0.01 . 1 . . . . 20 VAL HG2 . 6969 1 170 . 1 1 20 20 VAL HG22 H 1 0.87 0.01 . 1 . . . . 20 VAL HG2 . 6969 1 171 . 1 1 20 20 VAL HG23 H 1 0.87 0.01 . 1 . . . . 20 VAL HG2 . 6969 1 172 . 1 1 20 20 VAL C C 13 177.53 0.1 . 1 . . . . 20 VAL C . 6969 1 173 . 1 1 20 20 VAL CA C 13 65.9 0.1 . 1 . . . . 20 VAL CA . 6969 1 174 . 1 1 20 20 VAL CB C 13 31.7 0.1 . 1 . . . . 20 VAL CB . 6969 1 175 . 1 1 20 20 VAL CG1 C 13 21.5 0.1 . 1 . . . . 20 VAL CG1 . 6969 1 176 . 1 1 20 20 VAL CG2 C 13 20.7 0.1 . 1 . . . . 20 VAL CG2 . 6969 1 177 . 1 1 20 20 VAL N N 15 121.20 0.01 . 1 . . . . 20 VAL N . 6969 1 178 . 1 1 21 21 VAL H H 1 7.72 0.01 . 1 . . . . 21 VAL H . 6969 1 179 . 1 1 21 21 VAL HA H 1 3.68 0.01 . 1 . . . . 21 VAL HA . 6969 1 180 . 1 1 21 21 VAL HB H 1 2.02 0.01 . 1 . . . . 21 VAL HB . 6969 1 181 . 1 1 21 21 VAL HG11 H 1 0.92 0.01 . 1 . . . . 21 VAL HG1 . 6969 1 182 . 1 1 21 21 VAL HG12 H 1 0.92 0.01 . 1 . . . . 21 VAL HG1 . 6969 1 183 . 1 1 21 21 VAL HG13 H 1 0.92 0.01 . 1 . . . . 21 VAL HG1 . 6969 1 184 . 1 1 21 21 VAL HG21 H 1 0.92 0.01 . 1 . . . . 21 VAL HG2 . 6969 1 185 . 1 1 21 21 VAL HG22 H 1 0.92 0.01 . 1 . . . . 21 VAL HG2 . 6969 1 186 . 1 1 21 21 VAL HG23 H 1 0.92 0.01 . 1 . . . . 21 VAL HG2 . 6969 1 187 . 1 1 21 21 VAL C C 13 177.62 0.1 . 1 . . . . 21 VAL C . 6969 1 188 . 1 1 21 21 VAL CA C 13 65.9 0.1 . 1 . . . . 21 VAL CA . 6969 1 189 . 1 1 21 21 VAL CB C 13 31.7 0.1 . 1 . . . . 21 VAL CB . 6969 1 190 . 1 1 21 21 VAL CG1 C 13 21.9 0.1 . 1 . . . . 21 VAL CG1 . 6969 1 191 . 1 1 21 21 VAL CG2 C 13 20.8 0.1 . 1 . . . . 21 VAL CG2 . 6969 1 192 . 1 1 21 21 VAL N N 15 119.43 0.01 . 1 . . . . 21 VAL N . 6969 1 193 . 1 1 22 22 ASN H H 1 7.86 0.01 . 1 . . . . 22 ASN H . 6969 1 194 . 1 1 22 22 ASN HA H 1 4.46 0.01 . 1 . . . . 22 ASN HA . 6969 1 195 . 1 1 22 22 ASN HB2 H 1 2.8 0.01 . 1 . . . . 22 ASN HB2 . 6969 1 196 . 1 1 22 22 ASN HB3 H 1 2.8 0.01 . 1 . . . . 22 ASN HB3 . 6969 1 197 . 1 1 22 22 ASN HD21 H 1 7.44 0.01 . 1 . . . . 22 ASN HD21 . 6969 1 198 . 1 1 22 22 ASN HD22 H 1 6.77 0.01 . 1 . . . . 22 ASN HD22 . 6969 1 199 . 1 1 22 22 ASN C C 13 177.63 0.1 . 1 . . . . 22 ASN C . 6969 1 200 . 1 1 22 22 ASN CA C 13 56.05 0.1 . 1 . . . . 22 ASN CA . 6969 1 201 . 1 1 22 22 ASN CB C 13 38.3 0.1 . 1 . . . . 22 ASN CB . 6969 1 202 . 1 1 22 22 ASN N N 15 117.65 0.01 . 1 . . . . 22 ASN N . 6969 1 203 . 1 1 22 22 ASN ND2 N 15 111.40 0.01 . 1 . . . . 22 ASN ND2 . 6969 1 204 . 1 1 23 23 ILE H H 1 8.02 0.01 . 1 . . . . 23 ILE H . 6969 1 205 . 1 1 23 23 ILE HA H 1 3.72 0.01 . 1 . . . . 23 ILE HA . 6969 1 206 . 1 1 23 23 ILE HB H 1 1.89 0.01 . 1 . . . . 23 ILE HB . 6969 1 207 . 1 1 23 23 ILE HG12 H 1 1.65 0.01 . 1 . . . . 23 ILE HG12 . 6969 1 208 . 1 1 23 23 ILE HG13 H 1 1.0 0.01 . 1 . . . . 23 ILE HG13 . 6969 1 209 . 1 1 23 23 ILE HG21 H 1 0.82 0.01 . 4 . . . . 23 ILE HG2 . 6969 1 210 . 1 1 23 23 ILE HG22 H 1 0.82 0.01 . 4 . . . . 23 ILE HG2 . 6969 1 211 . 1 1 23 23 ILE HG23 H 1 0.82 0.01 . 4 . . . . 23 ILE HG2 . 6969 1 212 . 1 1 23 23 ILE HD11 H 1 0.82 0.01 . 4 . . . . 23 ILE HD1 . 6969 1 213 . 1 1 23 23 ILE HD12 H 1 0.82 0.01 . 4 . . . . 23 ILE HD1 . 6969 1 214 . 1 1 23 23 ILE HD13 H 1 0.82 0.01 . 4 . . . . 23 ILE HD1 . 6969 1 215 . 1 1 23 23 ILE C C 13 177.45 0.1 . 1 . . . . 23 ILE C . 6969 1 216 . 1 1 23 23 ILE CA C 13 64.9 0.1 . 1 . . . . 23 ILE CA . 6969 1 217 . 1 1 23 23 ILE CB C 13 38.0 0.1 . 1 . . . . 23 ILE CB . 6969 1 218 . 1 1 23 23 ILE CG1 C 13 28.8 0.1 . 1 . . . . 23 ILE CG1 . 6969 1 219 . 1 1 23 23 ILE CG2 C 13 16.8 0.1 . 1 . . . . 23 ILE CG2 . 6969 1 220 . 1 1 23 23 ILE CD1 C 13 12.65 0.1 . 1 . . . . 23 ILE CD1 . 6969 1 221 . 1 1 23 23 ILE N N 15 121.38 0.01 . 1 . . . . 23 ILE N . 6969 1 222 . 1 1 24 24 GLN H H 1 8.19 0.01 . 1 . . . . 24 GLN H . 6969 1 223 . 1 1 24 24 GLN HA H 1 3.76 0.01 . 1 . . . . 24 GLN HA . 6969 1 224 . 1 1 24 24 GLN HB2 H 1 2.15 0.01 . 1 . . . . 24 GLN HB2 . 6969 1 225 . 1 1 24 24 GLN HG2 H 1 2.4 0.01 . 1 . . . . 24 GLN HG2 . 6969 1 226 . 1 1 24 24 GLN HG3 H 1 2.4 0.01 . 1 . . . . 24 GLN HG3 . 6969 1 227 . 1 1 24 24 GLN HE21 H 1 7.21 0.01 . 1 . . . . 24 GLN HE21 . 6969 1 228 . 1 1 24 24 GLN HE22 H 1 6.42 0.01 . 1 . . . . 24 GLN HE22 . 6969 1 229 . 1 1 24 24 GLN C C 13 178.11 0.1 . 1 . . . . 24 GLN C . 6969 1 230 . 1 1 24 24 GLN CA C 13 59.1 0.1 . 1 . . . . 24 GLN CA . 6969 1 231 . 1 1 24 24 GLN CB C 13 27.9 0.1 . 1 . . . . 24 GLN CB . 6969 1 232 . 1 1 24 24 GLN CG C 13 33.8 0.1 . 1 . . . . 24 GLN CG . 6969 1 233 . 1 1 24 24 GLN N N 15 119.3 0.01 . 1 . . . . 24 GLN N . 6969 1 234 . 1 1 24 24 GLN NE2 N 15 111.58 0.01 . 1 . . . . 24 GLN NE2 . 6969 1 235 . 1 1 25 25 LYS H H 1 8.06 0.01 . 1 . . . . 25 LYS H . 6969 1 236 . 1 1 25 25 LYS HA H 1 4.07 0.01 . 1 . . . . 25 LYS HA . 6969 1 237 . 1 1 25 25 LYS HB2 H 1 1.92 0.01 . 1 . . . . 25 LYS HB2 . 6969 1 238 . 1 1 25 25 LYS HB3 H 1 1.82 0.01 . 1 . . . . 25 LYS HB3 . 6969 1 239 . 1 1 25 25 LYS HG2 H 1 1.45 0.01 . 1 . . . . 25 LYS HG2 . 6969 1 240 . 1 1 25 25 LYS HG3 H 1 1.45 0.01 . 1 . . . . 25 LYS HG3 . 6969 1 241 . 1 1 25 25 LYS HD2 H 1 1.65 0.01 . 1 . . . . 25 LYS HD2 . 6969 1 242 . 1 1 25 25 LYS HD3 H 1 1.65 0.01 . 1 . . . . 25 LYS HD3 . 6969 1 243 . 1 1 25 25 LYS C C 13 179.35 0.1 . 1 . . . . 25 LYS C . 6969 1 244 . 1 1 25 25 LYS CA C 13 59.1 0.1 . 1 . . . . 25 LYS CA . 6969 1 245 . 1 1 25 25 LYS CB C 13 32.0 0.1 . 1 . . . . 25 LYS CB . 6969 1 246 . 1 1 25 25 LYS CG C 13 25.1 0.1 . 1 . . . . 25 LYS CG . 6969 1 247 . 1 1 25 25 LYS CD C 13 29.1 0.1 . 1 . . . . 25 LYS CD . 6969 1 248 . 1 1 25 25 LYS CE C 13 42.1 0.1 . 1 . . . . 25 LYS CE . 6969 1 249 . 1 1 25 25 LYS N N 15 117.3 0.01 . 1 . . . . 25 LYS N . 6969 1 250 . 1 1 26 26 GLU H H 1 7.72 0.01 . 1 . . . . 26 GLU H . 6969 1 251 . 1 1 26 26 GLU HA H 1 4.3 0.01 . 9 . . . . 26 GLU HA . 6969 1 252 . 1 1 26 26 GLU HB2 H 1 2.25 0.01 . 1 . . . . 26 GLU HB2 . 6969 1 253 . 1 1 26 26 GLU HB3 H 1 2.11 0.01 . 1 . . . . 26 GLU HB3 . 6969 1 254 . 1 1 26 26 GLU C C 13 178.67 0.1 . 1 . . . . 26 GLU C . 6969 1 255 . 1 1 26 26 GLU CA C 13 58.7 0.1 . 1 . . . . 26 GLU CA . 6969 1 256 . 1 1 26 26 GLU CB C 13 28.8 0.1 . 1 . . . . 26 GLU CB . 6969 1 257 . 1 1 26 26 GLU CG C 13 35.0 0.1 . 1 . . . . 26 GLU CG . 6969 1 258 . 1 1 26 26 GLU N N 15 120.75 0.01 . 1 . . . . 26 GLU N . 6969 1 259 . 1 1 27 27 ILE H H 1 8.31 0.01 . 1 . . . . 27 ILE H . 6969 1 260 . 1 1 27 27 ILE HA H 1 3.56 0.01 . 1 . . . . 27 ILE HA . 6969 1 261 . 1 1 27 27 ILE HB H 1 1.88 0.01 . 1 . . . . 27 ILE HB . 6969 1 262 . 1 1 27 27 ILE HG12 H 1 1.5 0.01 . 1 . . . . 27 ILE HG12 . 6969 1 263 . 1 1 27 27 ILE HG13 H 1 1.11 0.01 . 1 . . . . 27 ILE HG13 . 6969 1 264 . 1 1 27 27 ILE HG21 H 1 0.8 0.01 . 4 . . . . 27 ILE HG2 . 6969 1 265 . 1 1 27 27 ILE HG22 H 1 0.8 0.01 . 4 . . . . 27 ILE HG2 . 6969 1 266 . 1 1 27 27 ILE HG23 H 1 0.8 0.01 . 4 . . . . 27 ILE HG2 . 6969 1 267 . 1 1 27 27 ILE HD11 H 1 0.8 0.01 . 4 . . . . 27 ILE HD1 . 6969 1 268 . 1 1 27 27 ILE HD12 H 1 0.8 0.01 . 4 . . . . 27 ILE HD1 . 6969 1 269 . 1 1 27 27 ILE HD13 H 1 0.8 0.01 . 4 . . . . 27 ILE HD1 . 6969 1 270 . 1 1 27 27 ILE C C 13 178.4 0.1 . 1 . . . . 27 ILE C . 6969 1 271 . 1 1 27 27 ILE CA C 13 65.2 0.1 . 1 . . . . 27 ILE CA . 6969 1 272 . 1 1 27 27 ILE CB C 13 37.6 0.1 . 1 . . . . 27 ILE CB . 6969 1 273 . 1 1 27 27 ILE CG1 C 13 28.7 0.1 . 1 . . . . 27 ILE CG1 . 6969 1 274 . 1 1 27 27 ILE CG2 C 13 16.85 0.1 . 1 . . . . 27 ILE CG2 . 6969 1 275 . 1 1 27 27 ILE CD1 C 13 12.75 0.1 . 1 . . . . 27 ILE CD1 . 6969 1 276 . 1 1 27 27 ILE N N 15 121.41 0.01 . 1 . . . . 27 ILE N . 6969 1 277 . 1 1 28 28 ASP H H 1 8.42 0.01 . 1 . . . . 28 ASP H . 6969 1 278 . 1 1 28 28 ASP HA H 1 4.38 0.01 . 1 . . . . 28 ASP HA . 6969 1 279 . 1 1 28 28 ASP HB2 H 1 2.8 0.01 . 2 . . . . 28 ASP HB2 . 6969 1 280 . 1 1 28 28 ASP HB3 H 1 2.6 0.01 . 2 . . . . 28 ASP HB3 . 6969 1 281 . 1 1 28 28 ASP C C 13 179.35 0.1 . 1 . . . . 28 ASP C . 6969 1 282 . 1 1 28 28 ASP CA C 13 56.6 0.1 . 1 . . . . 28 ASP CA . 6969 1 283 . 1 1 28 28 ASP CB C 13 40.2 0.1 . 1 . . . . 28 ASP CB . 6969 1 284 . 1 1 28 28 ASP N N 15 120.13 0.01 . 1 . . . . 28 ASP N . 6969 1 285 . 1 1 29 29 ARG H H 1 7.86 0.01 . 1 . . . . 29 ARG H . 6969 1 286 . 1 1 29 29 ARG HA H 1 4.02 0.01 . 1 . . . . 29 ARG HA . 6969 1 287 . 1 1 29 29 ARG HB2 H 1 1.95 0.01 . 1 . . . . 29 ARG HB2 . 6969 1 288 . 1 1 29 29 ARG HG2 H 1 1.72 0.01 . 1 . . . . 29 ARG HG2 . 6969 1 289 . 1 1 29 29 ARG HG3 H 1 1.72 0.01 . 1 . . . . 29 ARG HG3 . 6969 1 290 . 1 1 29 29 ARG C C 13 178.45 0.1 . 1 . . . . 29 ARG C . 6969 1 291 . 1 1 29 29 ARG CA C 13 59.6 0.1 . 1 . . . . 29 ARG CA . 6969 1 292 . 1 1 29 29 ARG CB C 13 30.0 0.1 . 1 . . . . 29 ARG CB . 6969 1 293 . 1 1 29 29 ARG CG C 13 27.5 0.1 . 1 . . . . 29 ARG CG . 6969 1 294 . 1 1 29 29 ARG CD C 13 43.1 0.1 . 1 . . . . 29 ARG CD . 6969 1 295 . 1 1 29 29 ARG N N 15 120.89 0.01 . 1 . . . . 29 ARG N . 6969 1 296 . 1 1 30 30 LEU H H 1 8.30 0.01 . 1 . . . . 30 LEU H . 6969 1 297 . 1 1 30 30 LEU HA H 1 4.0 0.01 . 1 . . . . 30 LEU HA . 6969 1 298 . 1 1 30 30 LEU HB2 H 1 1.78 0.01 . 1 . . . . 30 LEU HB2 . 6969 1 299 . 1 1 30 30 LEU HB3 H 1 1.54 0.01 . 1 . . . . 30 LEU HB3 . 6969 1 300 . 1 1 30 30 LEU HD11 H 1 0.78 0.01 . 1 . . . . 30 LEU HD1 . 6969 1 301 . 1 1 30 30 LEU HD12 H 1 0.78 0.01 . 1 . . . . 30 LEU HD1 . 6969 1 302 . 1 1 30 30 LEU HD13 H 1 0.78 0.01 . 1 . . . . 30 LEU HD1 . 6969 1 303 . 1 1 30 30 LEU HD21 H 1 0.78 0.01 . 1 . . . . 30 LEU HD2 . 6969 1 304 . 1 1 30 30 LEU HD22 H 1 0.78 0.01 . 1 . . . . 30 LEU HD2 . 6969 1 305 . 1 1 30 30 LEU HD23 H 1 0.78 0.01 . 1 . . . . 30 LEU HD2 . 6969 1 306 . 1 1 30 30 LEU C C 13 179.2 0.1 . 1 . . . . 30 LEU C . 6969 1 307 . 1 1 30 30 LEU CA C 13 58.1 0.1 . 1 . . . . 30 LEU CA . 6969 1 308 . 1 1 30 30 LEU CB C 13 41.4 0.1 . 1 . . . . 30 LEU CB . 6969 1 309 . 1 1 30 30 LEU CG C 13 26.7 0.1 . 1 . . . . 30 LEU CG . 6969 1 310 . 1 1 30 30 LEU CD1 C 13 24.2 0.1 . 1 . . . . 30 LEU CD1 . 6969 1 311 . 1 1 30 30 LEU CD2 C 13 23.0 0.1 . 1 . . . . 30 LEU CD2 . 6969 1 312 . 1 1 30 30 LEU N N 15 120.51 0.01 . 1 . . . . 30 LEU N . 6969 1 313 . 1 1 31 31 ASN H H 1 8.44 0.01 . 1 . . . . 31 ASN H . 6969 1 314 . 1 1 31 31 ASN HA H 1 4.39 0.01 . 1 . . . . 31 ASN HA . 6969 1 315 . 1 1 31 31 ASN HB2 H 1 2.67 0.01 . 2 . . . . 31 ASN HB2 . 6969 1 316 . 1 1 31 31 ASN HB3 H 1 2.9 0.01 . 2 . . . . 31 ASN HB3 . 6969 1 317 . 1 1 31 31 ASN HD21 H 1 7.7 0.01 . 1 . . . . 31 ASN HD21 . 6969 1 318 . 1 1 31 31 ASN HD22 H 1 6.53 0.01 . 1 . . . . 31 ASN HD22 . 6969 1 319 . 1 1 31 31 ASN C C 13 177.65 0.1 . 1 . . . . 31 ASN C . 6969 1 320 . 1 1 31 31 ASN CA C 13 56.1 0.1 . 1 . . . . 31 ASN CA . 6969 1 321 . 1 1 31 31 ASN CB C 13 38.4 0.1 . 1 . . . . 31 ASN CB . 6969 1 322 . 1 1 31 31 ASN N N 15 117.16 0.01 . 1 . . . . 31 ASN N . 6969 1 323 . 1 1 31 31 ASN ND2 N 15 111.55 0.01 . 1 . . . . 31 ASN ND2 . 6969 1 324 . 1 1 32 32 GLU H H 1 7.89 0.01 . 1 . . . . 32 GLU H . 6969 1 325 . 1 1 32 32 GLU HA H 1 4.03 0.01 . 1 . . . . 32 GLU HA . 6969 1 326 . 1 1 32 32 GLU HB2 H 1 2.15 0.01 . 1 . . . . 32 GLU HB2 . 6969 1 327 . 1 1 32 32 GLU HB3 H 1 2.15 0.01 . 1 . . . . 32 GLU HB3 . 6969 1 328 . 1 1 32 32 GLU HG2 H 1 2.42 0.01 . 1 . . . . 32 GLU HG2 . 6969 1 329 . 1 1 32 32 GLU HG3 H 1 2.42 0.01 . 1 . . . . 32 GLU HG3 . 6969 1 330 . 1 1 32 32 GLU C C 13 178.85 0.1 . 1 . . . . 32 GLU C . 6969 1 331 . 1 1 32 32 GLU CA C 13 59.4 0.1 . 1 . . . . 32 GLU CA . 6969 1 332 . 1 1 32 32 GLU CB C 13 29.3 0.1 . 1 . . . . 32 GLU CB . 6969 1 333 . 1 1 32 32 GLU CG C 13 35.8 0.1 . 1 . . . . 32 GLU CG . 6969 1 334 . 1 1 32 32 GLU N N 15 121.03 0.01 . 1 . . . . 32 GLU N . 6969 1 335 . 1 1 33 33 VAL H H 1 8.16 0.01 . 1 . . . . 33 VAL H . 6969 1 336 . 1 1 33 33 VAL HA H 1 3.56 0.01 . 1 . . . . 33 VAL HA . 6969 1 337 . 1 1 33 33 VAL HB H 1 2.01 0.01 . 1 . . . . 33 VAL HB . 6969 1 338 . 1 1 33 33 VAL HG11 H 1 1.0 0.01 . 1 . . . . 33 VAL HG1 . 6969 1 339 . 1 1 33 33 VAL HG12 H 1 1.0 0.01 . 1 . . . . 33 VAL HG1 . 6969 1 340 . 1 1 33 33 VAL HG13 H 1 1.0 0.01 . 1 . . . . 33 VAL HG1 . 6969 1 341 . 1 1 33 33 VAL HG21 H 1 0.85 0.01 . 1 . . . . 33 VAL HG2 . 6969 1 342 . 1 1 33 33 VAL HG22 H 1 0.85 0.01 . 1 . . . . 33 VAL HG2 . 6969 1 343 . 1 1 33 33 VAL HG23 H 1 0.85 0.01 . 1 . . . . 33 VAL HG2 . 6969 1 344 . 1 1 33 33 VAL C C 13 178.05 0.1 . 1 . . . . 33 VAL C . 6969 1 345 . 1 1 33 33 VAL CA C 13 66.65 0.1 . 1 . . . . 33 VAL CA . 6969 1 346 . 1 1 33 33 VAL CB C 13 31.45 0.1 . 1 . . . . 33 VAL CB . 6969 1 347 . 1 1 33 33 VAL CG1 C 13 22.0 0.1 . 1 . . . . 33 VAL CG1 . 6969 1 348 . 1 1 33 33 VAL CG2 C 13 20.6 0.1 . 1 . . . . 33 VAL CG2 . 6969 1 349 . 1 1 33 33 VAL N N 15 121.07 0.01 . 1 . . . . 33 VAL N . 6969 1 350 . 1 1 34 34 ALA H H 1 8.33 0.01 . 1 . . . . 34 ALA H . 6969 1 351 . 1 1 34 34 ALA HA H 1 3.92 0.01 . 1 . . . . 34 ALA HA . 6969 1 352 . 1 1 34 34 ALA HB1 H 1 1.41 0.01 . 1 . . . . 34 ALA HB . 6969 1 353 . 1 1 34 34 ALA HB2 H 1 1.41 0.01 . 1 . . . . 34 ALA HB . 6969 1 354 . 1 1 34 34 ALA HB3 H 1 1.41 0.01 . 1 . . . . 34 ALA HB . 6969 1 355 . 1 1 34 34 ALA C C 13 179.84 0.1 . 1 . . . . 34 ALA C . 6969 1 356 . 1 1 34 34 ALA CA C 13 55.3 0.1 . 1 . . . . 34 ALA CA . 6969 1 357 . 1 1 34 34 ALA CB C 13 17.65 0.1 . 1 . . . . 34 ALA CB . 6969 1 358 . 1 1 34 34 ALA N N 15 121.14 0.01 . 1 . . . . 34 ALA N . 6969 1 359 . 1 1 35 35 LYS H H 1 7.90 0.01 . 1 . . . . 35 LYS H . 6969 1 360 . 1 1 35 35 LYS HA H 1 3.96 0.01 . 1 . . . . 35 LYS HA . 6969 1 361 . 1 1 35 35 LYS HB2 H 1 1.88 0.01 . 1 . . . . 35 LYS HB2 . 6969 1 362 . 1 1 35 35 LYS HB3 H 1 1.88 0.01 . 1 . . . . 35 LYS HB3 . 6969 1 363 . 1 1 35 35 LYS HG2 H 1 1.41 0.01 . 1 . . . . 35 LYS HG2 . 6969 1 364 . 1 1 35 35 LYS HG3 H 1 1.41 0.01 . 1 . . . . 35 LYS HG3 . 6969 1 365 . 1 1 35 35 LYS HD2 H 1 1.65 0.01 . 1 . . . . 35 LYS HD2 . 6969 1 366 . 1 1 35 35 LYS HD3 H 1 1.65 0.01 . 1 . . . . 35 LYS HD3 . 6969 1 367 . 1 1 35 35 LYS C C 13 178.32 0.1 . 1 . . . . 35 LYS C . 6969 1 368 . 1 1 35 35 LYS CA C 13 59.35 0.1 . 1 . . . . 35 LYS CA . 6969 1 369 . 1 1 35 35 LYS CB C 13 32.25 0.1 . 1 . . . . 35 LYS CB . 6969 1 370 . 1 1 35 35 LYS CG C 13 24.6 0.1 . 1 . . . . 35 LYS CG . 6969 1 371 . 1 1 35 35 LYS CD C 13 29.5 0.1 . 1 . . . . 35 LYS CD . 6969 1 372 . 1 1 35 35 LYS CE C 13 42.0 0.1 . 1 . . . . 35 LYS CE . 6969 1 373 . 1 1 35 35 LYS N N 15 117.90 0.01 . 1 . . . . 35 LYS N . 6969 1 374 . 1 1 36 36 ASN H H 1 7.93 0.01 . 1 . . . . 36 ASN H . 6969 1 375 . 1 1 36 36 ASN HA H 1 4.46 0.01 . 1 . . . . 36 ASN HA . 6969 1 376 . 1 1 36 36 ASN HB2 H 1 2.82 0.01 . 2 . . . . 36 ASN HB2 . 6969 1 377 . 1 1 36 36 ASN HB3 H 1 2.7 0.01 . 2 . . . . 36 ASN HB3 . 6969 1 378 . 1 1 36 36 ASN HD21 H 1 7.34 0.01 . 1 . . . . 36 ASN HD21 . 6969 1 379 . 1 1 36 36 ASN HD22 H 1 6.97 0.01 . 1 . . . . 36 ASN HD22 . 6969 1 380 . 1 1 36 36 ASN C C 13 177.55 0.1 . 1 . . . . 36 ASN C . 6969 1 381 . 1 1 36 36 ASN CA C 13 55.9 0.1 . 1 . . . . 36 ASN CA . 6969 1 382 . 1 1 36 36 ASN CB C 13 39.0 0.1 . 1 . . . . 36 ASN CB . 6969 1 383 . 1 1 36 36 ASN N N 15 117.53 0.01 . 1 . . . . 36 ASN N . 6969 1 384 . 1 1 36 36 ASN ND2 N 15 111.98 0.01 . 1 . . . . 36 ASN ND2 . 6969 1 385 . 1 1 37 37 LEU H H 1 8.46 0.01 . 1 . . . . 37 LEU H . 6969 1 386 . 1 1 37 37 LEU HA H 1 4.05 0.01 . 1 . . . . 37 LEU HA . 6969 1 387 . 1 1 37 37 LEU HB2 H 1 1.72 0.01 . 1 . . . . 37 LEU HB2 . 6969 1 388 . 1 1 37 37 LEU HB3 H 1 1.54 0.01 . 1 . . . . 37 LEU HB3 . 6969 1 389 . 1 1 37 37 LEU HD11 H 1 0.79 0.01 . 1 . . . . 37 LEU HD1 . 6969 1 390 . 1 1 37 37 LEU HD12 H 1 0.79 0.01 . 1 . . . . 37 LEU HD1 . 6969 1 391 . 1 1 37 37 LEU HD13 H 1 0.79 0.01 . 1 . . . . 37 LEU HD1 . 6969 1 392 . 1 1 37 37 LEU HD21 H 1 0.79 0.01 . 1 . . . . 37 LEU HD2 . 6969 1 393 . 1 1 37 37 LEU HD22 H 1 0.79 0.01 . 1 . . . . 37 LEU HD2 . 6969 1 394 . 1 1 37 37 LEU HD23 H 1 0.79 0.01 . 1 . . . . 37 LEU HD2 . 6969 1 395 . 1 1 37 37 LEU C C 13 178.4 0.1 . 1 . . . . 37 LEU C . 6969 1 396 . 1 1 37 37 LEU CA C 13 57.6 0.1 . 1 . . . . 37 LEU CA . 6969 1 397 . 1 1 37 37 LEU CB C 13 41.7 0.1 . 1 . . . . 37 LEU CB . 6969 1 398 . 1 1 37 37 LEU CG C 13 26.7 0.1 . 1 . . . . 37 LEU CG . 6969 1 399 . 1 1 37 37 LEU CD1 C 13 24.3 0.1 . 1 . . . . 37 LEU CD1 . 6969 1 400 . 1 1 37 37 LEU CD2 C 13 23.0 0.1 . 1 . . . . 37 LEU CD2 . 6969 1 401 . 1 1 37 37 LEU N N 15 121.75 0.01 . 1 . . . . 37 LEU N . 6969 1 402 . 1 1 38 38 ASN H H 1 8.14 0.01 . 1 . . . . 38 ASN H . 6969 1 403 . 1 1 38 38 ASN HA H 1 4.39 0.01 . 1 . . . . 38 ASN HA . 6969 1 404 . 1 1 38 38 ASN HB2 H 1 2.78 0.01 . 1 . . . . 38 ASN HB2 . 6969 1 405 . 1 1 38 38 ASN HB3 H 1 2.78 0.01 . 1 . . . . 38 ASN HB3 . 6969 1 406 . 1 1 38 38 ASN HD21 H 1 7.48 0.01 . 1 . . . . 38 ASN HD21 . 6969 1 407 . 1 1 38 38 ASN HD22 H 1 6.62 0.01 . 1 . . . . 38 ASN HD22 . 6969 1 408 . 1 1 38 38 ASN C C 13 176.78 0.1 . 1 . . . . 38 ASN C . 6969 1 409 . 1 1 38 38 ASN CA C 13 56.05 0.1 . 1 . . . . 38 ASN CA . 6969 1 410 . 1 1 38 38 ASN CB C 13 39.0 0.1 . 1 . . . . 38 ASN CB . 6969 1 411 . 1 1 38 38 ASN N N 15 117.16 0.01 . 1 . . . . 38 ASN N . 6969 1 412 . 1 1 38 38 ASN ND2 N 15 111.43 0.01 . 1 . . . . 38 ASN ND2 . 6969 1 413 . 1 1 39 39 GLU H H 1 8.21 0.01 . 1 . . . . 39 GLU H . 6969 1 414 . 1 1 39 39 GLU HA H 1 4.04 0.01 . 1 . . . . 39 GLU HA . 6969 1 415 . 1 1 39 39 GLU HB2 H 1 2.2 0.01 . 1 . . . . 39 GLU HB2 . 6969 1 416 . 1 1 39 39 GLU HB3 H 1 2.03 0.01 . 1 . . . . 39 GLU HB3 . 6969 1 417 . 1 1 39 39 GLU HG2 H 1 2.42 0.01 . 1 . . . . 39 GLU HG2 . 6969 1 418 . 1 1 39 39 GLU HG3 H 1 2.42 0.01 . 1 . . . . 39 GLU HG3 . 6969 1 419 . 1 1 39 39 GLU C C 13 177.75 0.1 . 1 . . . . 39 GLU C . 6969 1 420 . 1 1 39 39 GLU CA C 13 58.7 0.1 . 1 . . . . 39 GLU CA . 6969 1 421 . 1 1 39 39 GLU CB C 13 29.5 0.1 . 1 . . . . 39 GLU CB . 6969 1 422 . 1 1 39 39 GLU CG C 13 36.45 0.1 . 1 . . . . 39 GLU CG . 6969 1 423 . 1 1 39 39 GLU N N 15 118.11 0.01 . 1 . . . . 39 GLU N . 6969 1 424 . 1 1 40 40 SER H H 1 7.97 0.01 . 1 . . . . 40 SER H . 6969 1 425 . 1 1 40 40 SER HA H 1 4.35 0.01 . 1 . . . . 40 SER HA . 6969 1 426 . 1 1 40 40 SER HB2 H 1 3.94 0.01 . 1 . . . . 40 SER HB2 . 6969 1 427 . 1 1 40 40 SER HB3 H 1 3.94 0.01 . 1 . . . . 40 SER HB3 . 6969 1 428 . 1 1 40 40 SER C C 13 174.95 0.1 . 1 . . . . 40 SER C . 6969 1 429 . 1 1 40 40 SER CA C 13 60.5 0.1 . 1 . . . . 40 SER CA . 6969 1 430 . 1 1 40 40 SER CB C 13 63.4 0.1 . 1 . . . . 40 SER CB . 6969 1 431 . 1 1 40 40 SER N N 15 114.78 0.01 . 1 . . . . 40 SER N . 6969 1 432 . 1 1 41 41 LEU H H 1 7.89 0.01 . 1 . . . . 41 LEU H . 6969 1 433 . 1 1 41 41 LEU HA H 1 4.15 0.01 . 1 . . . . 41 LEU HA . 6969 1 434 . 1 1 41 41 LEU HB2 H 1 1.72 0.01 . 1 . . . . 41 LEU HB2 . 6969 1 435 . 1 1 41 41 LEU HB3 H 1 1.5 0.01 . 1 . . . . 41 LEU HB3 . 6969 1 436 . 1 1 41 41 LEU HD11 H 1 0.8 0.01 . 1 . . . . 41 LEU HD1 . 6969 1 437 . 1 1 41 41 LEU HD12 H 1 0.8 0.01 . 1 . . . . 41 LEU HD1 . 6969 1 438 . 1 1 41 41 LEU HD13 H 1 0.8 0.01 . 1 . . . . 41 LEU HD1 . 6969 1 439 . 1 1 41 41 LEU HD21 H 1 0.8 0.01 . 1 . . . . 41 LEU HD2 . 6969 1 440 . 1 1 41 41 LEU HD22 H 1 0.8 0.01 . 1 . . . . 41 LEU HD2 . 6969 1 441 . 1 1 41 41 LEU HD23 H 1 0.8 0.01 . 1 . . . . 41 LEU HD2 . 6969 1 442 . 1 1 41 41 LEU C C 13 178.15 0.1 . 1 . . . . 41 LEU C . 6969 1 443 . 1 1 41 41 LEU CA C 13 56.65 0.1 . 1 . . . . 41 LEU CA . 6969 1 444 . 1 1 41 41 LEU CB C 13 41.7 0.1 . 1 . . . . 41 LEU CB . 6969 1 445 . 1 1 41 41 LEU CG C 13 26.7 0.1 . 1 . . . . 41 LEU CG . 6969 1 446 . 1 1 41 41 LEU CD1 C 13 24.6 0.1 . 1 . . . . 41 LEU CD1 . 6969 1 447 . 1 1 41 41 LEU CD2 C 13 22.7 0.1 . 1 . . . . 41 LEU CD2 . 6969 1 448 . 1 1 41 41 LEU N N 15 121.69 0.01 . 1 . . . . 41 LEU N . 6969 1 449 . 1 1 42 42 ILE H H 1 7.67 0.01 . 1 . . . . 42 ILE H . 6969 1 450 . 1 1 42 42 ILE HA H 1 3.85 0.01 . 1 . . . . 42 ILE HA . 6969 1 451 . 1 1 42 42 ILE HB H 1 1.8 0.01 . 1 . . . . 42 ILE HB . 6969 1 452 . 1 1 42 42 ILE HG12 H 1 1.5 0.01 . 1 . . . . 42 ILE HG12 . 6969 1 453 . 1 1 42 42 ILE HG13 H 1 1.1 0.01 . 1 . . . . 42 ILE HG13 . 6969 1 454 . 1 1 42 42 ILE HD11 H 1 0.8 0.01 . 1 . . . . 42 ILE HD1 . 6969 1 455 . 1 1 42 42 ILE HD12 H 1 0.8 0.01 . 1 . . . . 42 ILE HD1 . 6969 1 456 . 1 1 42 42 ILE HD13 H 1 0.8 0.01 . 1 . . . . 42 ILE HD1 . 6969 1 457 . 1 1 42 42 ILE C C 13 176.83 0.1 . 1 . . . . 42 ILE C . 6969 1 458 . 1 1 42 42 ILE CA C 13 63.1 0.1 . 1 . . . . 42 ILE CA . 6969 1 459 . 1 1 42 42 ILE CB C 13 38.2 0.1 . 1 . . . . 42 ILE CB . 6969 1 460 . 1 1 42 42 ILE CG1 C 13 28.1 0.1 . 1 . . . . 42 ILE CG1 . 6969 1 461 . 1 1 42 42 ILE CG2 C 13 17.1 0.1 . 1 . . . . 42 ILE CG2 . 6969 1 462 . 1 1 42 42 ILE CD1 C 13 12.65 0.1 . 1 . . . . 42 ILE CD1 . 6969 1 463 . 1 1 42 42 ILE N N 15 119.58 0.01 . 1 . . . . 42 ILE N . 6969 1 464 . 1 1 43 43 ASP H H 1 7.90 0.01 . 1 . . . . 43 ASP H . 6969 1 465 . 1 1 43 43 ASP HA H 1 4.5 0.01 . 1 . . . . 43 ASP HA . 6969 1 466 . 1 1 43 43 ASP HB2 H 1 2.66 0.01 . 1 . . . . 43 ASP HB2 . 6969 1 467 . 1 1 43 43 ASP HB3 H 1 2.66 0.01 . 1 . . . . 43 ASP HB3 . 6969 1 468 . 1 1 43 43 ASP C C 13 177.68 0.1 . 1 . . . . 43 ASP C . 6969 1 469 . 1 1 43 43 ASP CA C 13 55.5 0.1 . 1 . . . . 43 ASP CA . 6969 1 470 . 1 1 43 43 ASP CB C 13 40.6 0.1 . 1 . . . . 43 ASP CB . 6969 1 471 . 1 1 43 43 ASP N N 15 122.01 0.01 . 1 . . . . 43 ASP N . 6969 1 472 . 1 1 44 44 LEU H H 1 8.12 0.01 . 1 . . . . 44 LEU H . 6969 1 473 . 1 1 44 44 LEU HA H 1 4.03 0.01 . 1 . . . . 44 LEU HA . 6969 1 474 . 1 1 44 44 LEU HB2 H 1 1.72 0.01 . 1 . . . . 44 LEU HB2 . 6969 1 475 . 1 1 44 44 LEU HB3 H 1 1.6 0.01 . 1 . . . . 44 LEU HB3 . 6969 1 476 . 1 1 44 44 LEU HD11 H 1 0.8 0.01 . 1 . . . . 44 LEU HD1 . 6969 1 477 . 1 1 44 44 LEU HD12 H 1 0.8 0.01 . 1 . . . . 44 LEU HD1 . 6969 1 478 . 1 1 44 44 LEU HD13 H 1 0.8 0.01 . 1 . . . . 44 LEU HD1 . 6969 1 479 . 1 1 44 44 LEU HD21 H 1 0.8 0.01 . 1 . . . . 44 LEU HD2 . 6969 1 480 . 1 1 44 44 LEU HD22 H 1 0.8 0.01 . 1 . . . . 44 LEU HD2 . 6969 1 481 . 1 1 44 44 LEU HD23 H 1 0.8 0.01 . 1 . . . . 44 LEU HD2 . 6969 1 482 . 1 1 44 44 LEU C C 13 179.2 0.1 . 1 . . . . 44 LEU C . 6969 1 483 . 1 1 44 44 LEU CA C 13 57.4 0.1 . 1 . . . . 44 LEU CA . 6969 1 484 . 1 1 44 44 LEU CB C 13 41.8 0.1 . 1 . . . . 44 LEU CB . 6969 1 485 . 1 1 44 44 LEU CG C 13 26.8 0.1 . 1 . . . . 44 LEU CG . 6969 1 486 . 1 1 44 44 LEU CD1 C 13 24.4 0.1 . 1 . . . . 44 LEU CD1 . 6969 1 487 . 1 1 44 44 LEU CD2 C 13 23.0 0.1 . 1 . . . . 44 LEU CD2 . 6969 1 488 . 1 1 44 44 LEU N N 15 121.61 0.01 . 1 . . . . 44 LEU N . 6969 1 489 . 1 1 45 45 GLN H H 1 8.15 0.01 . 1 . . . . 45 GLN H . 6969 1 490 . 1 1 45 45 GLN HA H 1 4.0 0.01 . 1 . . . . 45 GLN HA . 6969 1 491 . 1 1 45 45 GLN HB2 H 1 2.15 0.01 . 2 . . . . 45 GLN HB2 . 6969 1 492 . 1 1 45 45 GLN HB3 H 1 2.11 0.01 . 2 . . . . 45 GLN HB3 . 6969 1 493 . 1 1 45 45 GLN HG2 H 1 2.42 0.01 . 1 . . . . 45 GLN HG2 . 6969 1 494 . 1 1 45 45 GLN HG3 H 1 2.42 0.01 . 1 . . . . 45 GLN HG3 . 6969 1 495 . 1 1 45 45 GLN HE21 H 1 7.32 0.01 . 1 . . . . 45 GLN HE21 . 6969 1 496 . 1 1 45 45 GLN HE22 H 1 6.59 0.01 . 1 . . . . 45 GLN HE22 . 6969 1 497 . 1 1 45 45 GLN C C 13 178.2 0.1 . 1 . . . . 45 GLN C . 6969 1 498 . 1 1 45 45 GLN CA C 13 58.3 0.1 . 1 . . . . 45 GLN CA . 6969 1 499 . 1 1 45 45 GLN CB C 13 28.6 0.1 . 1 . . . . 45 GLN CB . 6969 1 500 . 1 1 45 45 GLN CG C 13 34.4 0.1 . 1 . . . . 45 GLN CG . 6969 1 501 . 1 1 45 45 GLN N N 15 117.73 0.01 . 1 . . . . 45 GLN N . 6969 1 502 . 1 1 45 45 GLN NE2 N 15 110.2 0.01 . 1 . . . . 45 GLN NE2 . 6969 1 503 . 1 1 46 46 GLU H H 1 7.93 0.01 . 1 . . . . 46 GLU H . 6969 1 504 . 1 1 46 46 GLU HA H 1 4.11 0.01 . 1 . . . . 46 GLU HA . 6969 1 505 . 1 1 46 46 GLU HB2 H 1 2.28 0.01 . 1 . . . . 46 GLU HB2 . 6969 1 506 . 1 1 46 46 GLU HB3 H 1 2.07 0.01 . 1 . . . . 46 GLU HB3 . 6969 1 507 . 1 1 46 46 GLU C C 13 178.07 0.1 . 1 . . . . 46 GLU C . 6969 1 508 . 1 1 46 46 GLU CA C 13 58.1 0.1 . 1 . . . . 46 GLU CA . 6969 1 509 . 1 1 46 46 GLU CB C 13 29.5 0.1 . 1 . . . . 46 GLU CB . 6969 1 510 . 1 1 46 46 GLU CG C 13 35.8 0.1 . 1 . . . . 46 GLU CG . 6969 1 511 . 1 1 46 46 GLU N N 15 119.27 0.01 . 1 . . . . 46 GLU N . 6969 1 512 . 1 1 47 47 LEU H H 1 7.89 0.01 . 1 . . . . 47 LEU H . 6969 1 513 . 1 1 47 47 LEU HA H 1 4.1 0.01 . 1 . . . . 47 LEU HA . 6969 1 514 . 1 1 47 47 LEU HB2 H 1 1.64 0.01 . 1 . . . . 47 LEU HB2 . 6969 1 515 . 1 1 47 47 LEU HB3 H 1 1.64 0.01 . 1 . . . . 47 LEU HB3 . 6969 1 516 . 1 1 47 47 LEU HD11 H 1 0.8 0.01 . 1 . . . . 47 LEU HD1 . 6969 1 517 . 1 1 47 47 LEU HD12 H 1 0.8 0.01 . 1 . . . . 47 LEU HD1 . 6969 1 518 . 1 1 47 47 LEU HD13 H 1 0.8 0.01 . 1 . . . . 47 LEU HD1 . 6969 1 519 . 1 1 47 47 LEU HD21 H 1 0.8 0.01 . 1 . . . . 47 LEU HD2 . 6969 1 520 . 1 1 47 47 LEU HD22 H 1 0.8 0.01 . 1 . . . . 47 LEU HD2 . 6969 1 521 . 1 1 47 47 LEU HD23 H 1 0.8 0.01 . 1 . . . . 47 LEU HD2 . 6969 1 522 . 1 1 47 47 LEU C C 13 179.05 0.1 . 1 . . . . 47 LEU C . 6969 1 523 . 1 1 47 47 LEU CA C 13 57.55 0.1 . 1 . . . . 47 LEU CA . 6969 1 524 . 1 1 47 47 LEU CB C 13 41.8 0.1 . 1 . . . . 47 LEU CB . 6969 1 525 . 1 1 47 47 LEU CG C 13 26.8 0.1 . 1 . . . . 47 LEU CG . 6969 1 526 . 1 1 47 47 LEU CD1 C 13 24.1 0.1 . 1 . . . . 47 LEU CD1 . 6969 1 527 . 1 1 47 47 LEU CD2 C 13 23.5 0.1 . 1 . . . . 47 LEU CD2 . 6969 1 528 . 1 1 47 47 LEU N N 15 119.79 0.01 . 1 . . . . 47 LEU N . 6969 1 529 . 1 1 48 48 GLY H H 1 8.12 0.01 . 1 . . . . 48 GLY H . 6969 1 530 . 1 1 48 48 GLY HA2 H 1 3.84 0.01 . 1 . . . . 48 GLY HA2 . 6969 1 531 . 1 1 48 48 GLY HA3 H 1 3.84 0.01 . 1 . . . . 48 GLY HA3 . 6969 1 532 . 1 1 48 48 GLY C C 13 175.6 0.1 . 1 . . . . 48 GLY C . 6969 1 533 . 1 1 48 48 GLY CA C 13 46.3 0.1 . 1 . . . . 48 GLY CA . 6969 1 534 . 1 1 48 48 GLY N N 15 105.47 0.01 . 1 . . . . 48 GLY N . 6969 1 535 . 1 1 49 49 LYS H H 1 7.57 0.01 . 1 . . . . 49 LYS H . 6969 1 536 . 1 1 49 49 LYS HA H 1 4.03 0.01 . 1 . . . . 49 LYS HA . 6969 1 537 . 1 1 49 49 LYS HB2 H 1 1.95 0.01 . 1 . . . . 49 LYS HB2 . 6969 1 538 . 1 1 49 49 LYS HB3 H 1 1.95 0.01 . 1 . . . . 49 LYS HB3 . 6969 1 539 . 1 1 49 49 LYS HG2 H 1 1.22 0.01 . 1 . . . . 49 LYS HG2 . 6969 1 540 . 1 1 49 49 LYS HG3 H 1 1.22 0.01 . 1 . . . . 49 LYS HG3 . 6969 1 541 . 1 1 49 49 LYS HD2 H 1 1.65 0.01 . 1 . . . . 49 LYS HD2 . 6969 1 542 . 1 1 49 49 LYS HD3 H 1 1.65 0.01 . 1 . . . . 49 LYS HD3 . 6969 1 543 . 1 1 49 49 LYS C C 13 177.35 0.1 . 1 . . . . 49 LYS C . 6969 1 544 . 1 1 49 49 LYS CA C 13 58.1 0.1 . 1 . . . . 49 LYS CA . 6969 1 545 . 1 1 49 49 LYS CB C 13 32.3 0.1 . 1 . . . . 49 LYS CB . 6969 1 546 . 1 1 49 49 LYS CG C 13 24.8 0.1 . 1 . . . . 49 LYS CG . 6969 1 547 . 1 1 49 49 LYS CD C 13 29.5 0.1 . 1 . . . . 49 LYS CD . 6969 1 548 . 1 1 49 49 LYS CE C 13 42.1 0.1 . 1 . . . . 49 LYS CE . 6969 1 549 . 1 1 49 49 LYS N N 15 119.88 0.01 . 1 . . . . 49 LYS N . 6969 1 550 . 1 1 50 50 TYR H H 1 7.80 0.01 . 1 . . . . 50 TYR H . 6969 1 551 . 1 1 50 50 TYR HA H 1 4.4 0.01 . 1 . . . . 50 TYR HA . 6969 1 552 . 1 1 50 50 TYR HB2 H 1 3.15 0.01 . 1 . . . . 50 TYR HB2 . 6969 1 553 . 1 1 50 50 TYR HB3 H 1 2.92 0.01 . 1 . . . . 50 TYR HB3 . 6969 1 554 . 1 1 50 50 TYR C C 13 176.65 0.1 . 1 . . . . 50 TYR C . 6969 1 555 . 1 1 50 50 TYR CA C 13 59.25 0.1 . 1 . . . . 50 TYR CA . 6969 1 556 . 1 1 50 50 TYR CB C 13 38.3 0.1 . 1 . . . . 50 TYR CB . 6969 1 557 . 1 1 50 50 TYR N N 15 118.30 0.01 . 1 . . . . 50 TYR N . 6969 1 558 . 1 1 51 51 GLU H H 1 8.01 0.01 . 1 . . . . 51 GLU H . 6969 1 559 . 1 1 51 51 GLU HA H 1 3.96 0.01 . 1 . . . . 51 GLU HA . 6969 1 560 . 1 1 51 51 GLU HB2 H 1 2.2 0.01 . 1 . . . . 51 GLU HB2 . 6969 1 561 . 1 1 51 51 GLU HB3 H 1 1.96 0.01 . 1 . . . . 51 GLU HB3 . 6969 1 562 . 1 1 51 51 GLU C C 13 176.95 0.1 . 1 . . . . 51 GLU C . 6969 1 563 . 1 1 51 51 GLU CA C 13 58.4 0.1 . 1 . . . . 51 GLU CA . 6969 1 564 . 1 1 51 51 GLU CB C 13 29.7 0.1 . 1 . . . . 51 GLU CB . 6969 1 565 . 1 1 51 51 GLU CG C 13 36.2 0.1 . 1 . . . . 51 GLU CG . 6969 1 566 . 1 1 51 51 GLU N N 15 119.47 0.01 . 1 . . . . 51 GLU N . 6969 1 567 . 1 1 52 52 GLN H H 1 7.92 0.01 . 1 . . . . 52 GLN H . 6969 1 568 . 1 1 52 52 GLN HA H 1 4.07 0.01 . 1 . . . . 52 GLN HA . 6969 1 569 . 1 1 52 52 GLN HB2 H 1 2.04 0.01 . 9 . . . . 52 GLN HB2 . 6969 1 570 . 1 1 52 52 GLN HB3 H 1 1.83 0.01 . 9 . . . . 52 GLN HB3 . 6969 1 571 . 1 1 52 52 GLN HE21 H 1 7.31 0.01 . 1 . . . . 52 GLN HE21 . 6969 1 572 . 1 1 52 52 GLN HE22 H 1 6.62 0.01 . 1 . . . . 52 GLN HE22 . 6969 1 573 . 1 1 52 52 GLN C C 13 176.0 0.1 . 1 . . . . 52 GLN C . 6969 1 574 . 1 1 52 52 GLN CA C 13 56.8 0.1 . 1 . . . . 52 GLN CA . 6969 1 575 . 1 1 52 52 GLN CB C 13 28.8 0.1 . 1 . . . . 52 GLN CB . 6969 1 576 . 1 1 52 52 GLN CG C 13 33.5 0.1 . 1 . . . . 52 GLN CG . 6969 1 577 . 1 1 52 52 GLN N N 15 116.55 0.01 . 1 . . . . 52 GLN N . 6969 1 578 . 1 1 52 52 GLN NE2 N 15 111.25 0.01 . 1 . . . . 52 GLN NE2 . 6969 1 579 . 1 1 53 53 TYR H H 1 7.84 0.01 . 1 . . . . 53 TYR H . 6969 1 580 . 1 1 53 53 TYR HA H 1 4.48 0.01 . 1 . . . . 53 TYR HA . 6969 1 581 . 1 1 53 53 TYR HB2 H 1 3.1 0.01 . 1 . . . . 53 TYR HB2 . 6969 1 582 . 1 1 53 53 TYR HB3 H 1 2.86 0.01 . 1 . . . . 53 TYR HB3 . 6969 1 583 . 1 1 53 53 TYR C C 13 175.75 0.1 . 1 . . . . 53 TYR C . 6969 1 584 . 1 1 53 53 TYR CA C 13 58.3 0.1 . 1 . . . . 53 TYR CA . 6969 1 585 . 1 1 53 53 TYR CB C 13 38.65 0.1 . 1 . . . . 53 TYR CB . 6969 1 586 . 1 1 53 53 TYR N N 15 118.39 0.01 . 1 . . . . 53 TYR N . 6969 1 587 . 1 1 54 54 ILE H H 1 7.56 0.01 . 1 . . . . 54 ILE H . 6969 1 588 . 1 1 54 54 ILE HA H 1 4.07 0.01 . 1 . . . . 54 ILE HA . 6969 1 589 . 1 1 54 54 ILE HB H 1 1.8 0.01 . 1 . . . . 54 ILE HB . 6969 1 590 . 1 1 54 54 ILE HG12 H 1 1.35 0.01 . 1 . . . . 54 ILE HG12 . 6969 1 591 . 1 1 54 54 ILE HG13 H 1 1.1 0.01 . 1 . . . . 54 ILE HG13 . 6969 1 592 . 1 1 54 54 ILE HD11 H 1 0.79 0.01 . 1 . . . . 54 ILE HD1 . 6969 1 593 . 1 1 54 54 ILE HD12 H 1 0.79 0.01 . 1 . . . . 54 ILE HD1 . 6969 1 594 . 1 1 54 54 ILE HD13 H 1 0.79 0.01 . 1 . . . . 54 ILE HD1 . 6969 1 595 . 1 1 54 54 ILE C C 13 174.76 0.1 . 1 . . . . 54 ILE C . 6969 1 596 . 1 1 54 54 ILE CA C 13 61.5 0.1 . 1 . . . . 54 ILE CA . 6969 1 597 . 1 1 54 54 ILE CB C 13 38.4 0.1 . 1 . . . . 54 ILE CB . 6969 1 598 . 1 1 54 54 ILE N N 15 119.15 0.01 . 1 . . . . 54 ILE N . 6969 1 599 . 1 1 55 55 LYS H H 1 7.48 0.01 . 1 . . . . 55 LYS H . 6969 1 600 . 1 1 55 55 LYS HA H 1 4.06 0.01 . 1 . . . . 55 LYS HA . 6969 1 601 . 1 1 55 55 LYS HB2 H 1 1.68 0.01 . 1 . . . . 55 LYS HB2 . 6969 1 602 . 1 1 55 55 LYS HB3 H 1 1.68 0.01 . 1 . . . . 55 LYS HB3 . 6969 1 603 . 1 1 55 55 LYS HG2 H 1 1.33 0.01 . 1 . . . . 55 LYS HG2 . 6969 1 604 . 1 1 55 55 LYS HG3 H 1 1.33 0.01 . 1 . . . . 55 LYS HG3 . 6969 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 92 6969 1 1 93 6969 1 1 94 6969 1 1 95 6969 1 1 96 6969 1 1 97 6969 1 2 209 6969 1 2 210 6969 1 2 211 6969 1 2 212 6969 1 2 213 6969 1 2 214 6969 1 3 264 6969 1 3 265 6969 1 3 266 6969 1 3 267 6969 1 3 268 6969 1 3 269 6969 1 stop_ save_