data_6926 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6926 _Entry.Title ; Chemical Shift Assignments of Thylakoid Soluble Phosphoprotein of 9 kDa ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-12-19 _Entry.Accession_date 2005-12-19 _Entry.Last_release_date . _Entry.Original_release_date . _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 Jikui Song . . . 6926 2 Inger Carlberg . . . 6926 3 Min Lee . S. . 6926 4 John Markley . L. . 6926 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6926 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 313 6926 '15N chemical shifts' 87 6926 '1H chemical shifts' 403 6926 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 3 . . 2009-06-30 2005-12-29 update BMRB 'added time domain data' 6926 2 . . 2007-11-15 2005-12-29 update BMRB 'complete entry citation' 6926 1 . . 2005-12-23 2005-12-29 original author 'original release' 6926 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2FFT 'BMRB Entry Tracking System' 6926 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6926 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 17176085 _Citation.Full_citation . _Citation.Title 'Micelle-induced folding of spinach thylakoid soluble phosphoprotein of 9 kDa and its functional implications' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 45 _Citation.Journal_issue 51 _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 15633 _Citation.Page_last 15643 _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 Jikui Song . . . 6926 1 2 Min Lee . S. . 6926 1 3 Inger Carlberg . . . 6926 1 4 A. Vener . V. . 6926 1 5 John Markley . L. . 6926 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6926 _Assembly.ID 1 _Assembly.Name TSP9 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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_ _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 TSP9 1 $TSP9 . . yes native no no . . . 6926 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TSP9 _Entity.Sf_category entity _Entity.Sf_framecode TSP9 _Entity.Entry_ID 6926 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TSP9 _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 ; SAAKGTAETKQEKSFVDWLL GKITKEDQFYETDPILRGGD VKSSGSTSGKKGGTTSGKKG TVSIPSKKKNGNGGVFGGLF AKKD ; _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 84 _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 2FFT . "Nmr Structure Of Spinach Thylakoid Soluble Phosphoprotein Of 9 Kda In Sds Micelles" . . . . . 100.00 84 100.00 100.00 8.45e-49 . . . . 6926 1 2 no EMBL CAD45559 . "thylakoid soluble phosphoprotein [Spinacia oleracea]" . . . . . 100.00 103 98.81 100.00 8.51e-49 . . . . 6926 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 6926 1 2 . ALA . 6926 1 3 . ALA . 6926 1 4 . LYS . 6926 1 5 . GLY . 6926 1 6 . THR . 6926 1 7 . ALA . 6926 1 8 . GLU . 6926 1 9 . THR . 6926 1 10 . LYS . 6926 1 11 . GLN . 6926 1 12 . GLU . 6926 1 13 . LYS . 6926 1 14 . SER . 6926 1 15 . PHE . 6926 1 16 . VAL . 6926 1 17 . ASP . 6926 1 18 . TRP . 6926 1 19 . LEU . 6926 1 20 . LEU . 6926 1 21 . GLY . 6926 1 22 . LYS . 6926 1 23 . ILE . 6926 1 24 . THR . 6926 1 25 . LYS . 6926 1 26 . GLU . 6926 1 27 . ASP . 6926 1 28 . GLN . 6926 1 29 . PHE . 6926 1 30 . TYR . 6926 1 31 . GLU . 6926 1 32 . THR . 6926 1 33 . ASP . 6926 1 34 . PRO . 6926 1 35 . ILE . 6926 1 36 . LEU . 6926 1 37 . ARG . 6926 1 38 . GLY . 6926 1 39 . GLY . 6926 1 40 . ASP . 6926 1 41 . VAL . 6926 1 42 . LYS . 6926 1 43 . SER . 6926 1 44 . SER . 6926 1 45 . GLY . 6926 1 46 . SER . 6926 1 47 . THR . 6926 1 48 . SER . 6926 1 49 . GLY . 6926 1 50 . LYS . 6926 1 51 . LYS . 6926 1 52 . GLY . 6926 1 53 . GLY . 6926 1 54 . THR . 6926 1 55 . THR . 6926 1 56 . SER . 6926 1 57 . GLY . 6926 1 58 . LYS . 6926 1 59 . LYS . 6926 1 60 . GLY . 6926 1 61 . THR . 6926 1 62 . VAL . 6926 1 63 . SER . 6926 1 64 . ILE . 6926 1 65 . PRO . 6926 1 66 . SER . 6926 1 67 . LYS . 6926 1 68 . LYS . 6926 1 69 . LYS . 6926 1 70 . ASN . 6926 1 71 . GLY . 6926 1 72 . ASN . 6926 1 73 . GLY . 6926 1 74 . GLY . 6926 1 75 . VAL . 6926 1 76 . PHE . 6926 1 77 . GLY . 6926 1 78 . GLY . 6926 1 79 . LEU . 6926 1 80 . PHE . 6926 1 81 . ALA . 6926 1 82 . LYS . 6926 1 83 . LYS . 6926 1 84 . ASP . 6926 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 6926 1 . ALA 2 2 6926 1 . ALA 3 3 6926 1 . LYS 4 4 6926 1 . GLY 5 5 6926 1 . THR 6 6 6926 1 . ALA 7 7 6926 1 . GLU 8 8 6926 1 . THR 9 9 6926 1 . LYS 10 10 6926 1 . GLN 11 11 6926 1 . GLU 12 12 6926 1 . LYS 13 13 6926 1 . SER 14 14 6926 1 . PHE 15 15 6926 1 . VAL 16 16 6926 1 . ASP 17 17 6926 1 . TRP 18 18 6926 1 . LEU 19 19 6926 1 . LEU 20 20 6926 1 . GLY 21 21 6926 1 . LYS 22 22 6926 1 . ILE 23 23 6926 1 . THR 24 24 6926 1 . LYS 25 25 6926 1 . GLU 26 26 6926 1 . ASP 27 27 6926 1 . GLN 28 28 6926 1 . PHE 29 29 6926 1 . TYR 30 30 6926 1 . GLU 31 31 6926 1 . THR 32 32 6926 1 . ASP 33 33 6926 1 . PRO 34 34 6926 1 . ILE 35 35 6926 1 . LEU 36 36 6926 1 . ARG 37 37 6926 1 . GLY 38 38 6926 1 . GLY 39 39 6926 1 . ASP 40 40 6926 1 . VAL 41 41 6926 1 . LYS 42 42 6926 1 . SER 43 43 6926 1 . SER 44 44 6926 1 . GLY 45 45 6926 1 . SER 46 46 6926 1 . THR 47 47 6926 1 . SER 48 48 6926 1 . GLY 49 49 6926 1 . LYS 50 50 6926 1 . LYS 51 51 6926 1 . GLY 52 52 6926 1 . GLY 53 53 6926 1 . THR 54 54 6926 1 . THR 55 55 6926 1 . SER 56 56 6926 1 . GLY 57 57 6926 1 . LYS 58 58 6926 1 . LYS 59 59 6926 1 . GLY 60 60 6926 1 . THR 61 61 6926 1 . VAL 62 62 6926 1 . SER 63 63 6926 1 . ILE 64 64 6926 1 . PRO 65 65 6926 1 . SER 66 66 6926 1 . LYS 67 67 6926 1 . LYS 68 68 6926 1 . LYS 69 69 6926 1 . ASN 70 70 6926 1 . GLY 71 71 6926 1 . ASN 72 72 6926 1 . GLY 73 73 6926 1 . GLY 74 74 6926 1 . VAL 75 75 6926 1 . PHE 76 76 6926 1 . GLY 77 77 6926 1 . GLY 78 78 6926 1 . LEU 79 79 6926 1 . PHE 80 80 6926 1 . ALA 81 81 6926 1 . LYS 82 82 6926 1 . LYS 83 83 6926 1 . ASP 84 84 6926 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 6926 _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 $TSP9 . 3562 organism . 'Spinacia oleracea' spinach . . Eukaryota Viridiplantae Spinacia oleracea . . . . . . . . . . . . . . . . . . . . . 6926 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 6926 _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 $TSP9 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6926 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6926 _Sample.ID 1 _Sample.Type micelle _Sample.Sub_type . _Sample.Details '10 mM HEPES, 100 mM NaCl, and 75 mM SDS' _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 TSP9 '[U-15N; U-13C]' . . 1 $TSP9 . protein 0.5 . . mM 0.1 . . . 6926 1 2 HEPES . . . . . . buffer 10 . . mM 1 . . . 6926 1 3 NaCl . . . . . . salt 100 . . mM 5 . . . 6926 1 4 SDS . . . . . . lipid 75 . . mM 5 . . . 6926 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 6926 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.0 0.1 pH 6926 1 pressure 1 0.1 atm 6926 1 temperature 298 0.1 K 6926 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 6926 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 6926 _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 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 2 1H,13C-HSQC yes 2 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 3 HNCACB yes 3 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 4 CBCACONH yes 4 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 5 CCONH yes 5 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 6 HCCONH no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 7 HCCHTOCSY yes 6 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 8 HNCO yes 7 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 9 HBACONH yes 8 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 10 '3D 15N edited 1H,1H NOESY' yes 9 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 1 11 '3D 13C edited 1H,1H NOESY' yes 10 . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6926 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 6926 _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 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6926 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6926 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6926 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 6926 _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 6926 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.530 0.05 . 1 . . . . 1 S HA . 6926 1 2 . 1 1 1 1 SER HB2 H 1 3.940 0.05 . 1 . . . . 1 S HB2 . 6926 1 3 . 1 1 1 1 SER C C 13 174.663 0.15 . 1 . . . . 1 S C . 6926 1 4 . 1 1 1 1 SER CA C 13 59.139 0.15 . 1 . . . . 1 S CA . 6926 1 5 . 1 1 1 1 SER CB C 13 64.720 0.15 . 1 . . . . 1 S CB . 6926 1 6 . 1 1 2 2 ALA H H 1 8.448 0.05 . 1 . . . . 2 A H . 6926 1 7 . 1 1 2 2 ALA HA H 1 4.314 0.05 . 1 . . . . 2 A HA . 6926 1 8 . 1 1 2 2 ALA HB1 H 1 1.444 0.05 . 1 . . . . 2 A QB . 6926 1 9 . 1 1 2 2 ALA HB2 H 1 1.444 0.05 . 1 . . . . 2 A QB . 6926 1 10 . 1 1 2 2 ALA HB3 H 1 1.444 0.05 . 1 . . . . 2 A QB . 6926 1 11 . 1 1 2 2 ALA C C 13 177.731 0.15 . 1 . . . . 2 A C . 6926 1 12 . 1 1 2 2 ALA CA C 13 53.711 0.15 . 1 . . . . 2 A CA . 6926 1 13 . 1 1 2 2 ALA CB C 13 19.629 0.15 . 1 . . . . 2 A CB . 6926 1 14 . 1 1 2 2 ALA N N 15 125.995 0.15 . 1 . . . . 2 A N . 6926 1 15 . 1 1 3 3 ALA H H 1 8.148 0.05 . 1 . . . . 3 A H . 6926 1 16 . 1 1 3 3 ALA HA H 1 4.292 0.05 . 1 . . . . 3 A HA . 6926 1 17 . 1 1 3 3 ALA HB1 H 1 1.425 0.05 . 1 . . . . 3 A QB . 6926 1 18 . 1 1 3 3 ALA HB2 H 1 1.425 0.05 . 1 . . . . 3 A QB . 6926 1 19 . 1 1 3 3 ALA HB3 H 1 1.425 0.05 . 1 . . . . 3 A QB . 6926 1 20 . 1 1 3 3 ALA C C 13 177.888 0.15 . 1 . . . . 3 A C . 6926 1 21 . 1 1 3 3 ALA CA C 13 53.439 0.15 . 1 . . . . 3 A CA . 6926 1 22 . 1 1 3 3 ALA CB C 13 19.671 0.15 . 1 . . . . 3 A CB . 6926 1 23 . 1 1 3 3 ALA N N 15 121.767 0.15 . 1 . . . . 3 A N . 6926 1 24 . 1 1 4 4 LYS H H 1 8.047 0.05 . 1 . . . . 4 K H . 6926 1 25 . 1 1 4 4 LYS HA H 1 4.314 0.05 . 1 . . . . 4 K HA . 6926 1 26 . 1 1 4 4 LYS HB2 H 1 1.869 0.05 . 1 . . . . 4 K HB2 . 6926 1 27 . 1 1 4 4 LYS C C 13 177.363 0.15 . 1 . . . . 4 K C . 6926 1 28 . 1 1 4 4 LYS CA C 13 57.279 0.15 . 1 . . . . 4 K CA . 6926 1 29 . 1 1 4 4 LYS CB C 13 33.570 0.15 . 1 . . . . 4 K CB . 6926 1 30 . 1 1 4 4 LYS CG C 13 25.461 0.15 . 1 . . . . 4 K CG . 6926 1 31 . 1 1 4 4 LYS CD C 13 29.587 0.15 . 1 . . . . 4 K CD . 6926 1 32 . 1 1 4 4 LYS CE C 13 42.893 0.15 . 1 . . . . 4 K CE . 6926 1 33 . 1 1 4 4 LYS N N 15 119.233 0.15 . 1 . . . . 4 K N . 6926 1 34 . 1 1 5 5 GLY H H 1 8.317 0.05 . 1 . . . . 5 G H . 6926 1 35 . 1 1 5 5 GLY HA2 H 1 4.039 0.05 . 1 . . . . 5 G HA2 . 6926 1 36 . 1 1 5 5 GLY C C 13 174.706 0.15 . 1 . . . . 5 G C . 6926 1 37 . 1 1 5 5 GLY CA C 13 46.246 0.15 . 1 . . . . 5 G CA . 6926 1 38 . 1 1 5 5 GLY N N 15 109.070 0.15 . 1 . . . . 5 G N . 6926 1 39 . 1 1 6 6 THR H H 1 8.002 0.05 . 1 . . . . 6 T H . 6926 1 40 . 1 1 6 6 THR HA H 1 4.357 0.05 . 1 . . . . 6 T HA . 6926 1 41 . 1 1 6 6 THR HB H 1 4.334 0.05 . 1 . . . . 6 T HB . 6926 1 42 . 1 1 6 6 THR C C 13 174.839 0.15 . 1 . . . . 6 T C . 6926 1 43 . 1 1 6 6 THR CA C 13 62.444 0.15 . 1 . . . . 6 T CA . 6926 1 44 . 1 1 6 6 THR CB C 13 70.490 0.15 . 1 . . . . 6 T CB . 6926 1 45 . 1 1 6 6 THR CG2 C 13 22.342 0.15 . 1 . . . . 6 T CG2 . 6926 1 46 . 1 1 6 6 THR N N 15 112.809 0.15 . 1 . . . . 6 T N . 6926 1 47 . 1 1 7 7 ALA H H 1 8.309 0.05 . 1 . . . . 7 A H . 6926 1 48 . 1 1 7 7 ALA HA H 1 4.322 0.05 . 1 . . . . 7 A HA . 6926 1 49 . 1 1 7 7 ALA HB1 H 1 1.447 0.05 . 1 . . . . 7 A QB . 6926 1 50 . 1 1 7 7 ALA HB2 H 1 1.447 0.05 . 1 . . . . 7 A QB . 6926 1 51 . 1 1 7 7 ALA HB3 H 1 1.447 0.05 . 1 . . . . 7 A QB . 6926 1 52 . 1 1 7 7 ALA C C 13 178.032 0.15 . 1 . . . . 7 A C . 6926 1 53 . 1 1 7 7 ALA CA C 13 53.792 0.15 . 1 . . . . 7 A CA . 6926 1 54 . 1 1 7 7 ALA CB C 13 19.733 0.15 . 1 . . . . 7 A CB . 6926 1 55 . 1 1 7 7 ALA N N 15 125.292 0.15 . 1 . . . . 7 A N . 6926 1 56 . 1 1 8 8 GLU H H 1 8.358 0.05 . 1 . . . . 8 E H . 6926 1 57 . 1 1 8 8 GLU HA H 1 4.297 0.05 . 1 . . . . 8 E HA . 6926 1 58 . 1 1 8 8 GLU HB2 H 1 2.060 0.05 . 1 . . . . 8 E HB2 . 6926 1 59 . 1 1 8 8 GLU C C 13 176.936 0.15 . 1 . . . . 8 E C . 6926 1 60 . 1 1 8 8 GLU CA C 13 57.618 0.15 . 1 . . . . 8 E CA . 6926 1 61 . 1 1 8 8 GLU CB C 13 30.792 0.15 . 1 . . . . 8 E CB . 6926 1 62 . 1 1 8 8 GLU CG C 13 36.854 0.15 . 1 . . . . 8 E CG . 6926 1 63 . 1 1 8 8 GLU N N 15 118.943 0.15 . 1 . . . . 8 E N . 6926 1 64 . 1 1 9 9 THR H H 1 7.974 0.05 . 1 . . . . 9 T H . 6926 1 65 . 1 1 9 9 THR HA H 1 4.365 0.05 . 1 . . . . 9 T HA . 6926 1 66 . 1 1 9 9 THR HB H 1 4.270 0.05 . 1 . . . . 9 T HB . 6926 1 67 . 1 1 9 9 THR C C 13 174.629 0.15 . 1 . . . . 9 T C . 6926 1 68 . 1 1 9 9 THR CA C 13 62.617 0.15 . 1 . . . . 9 T CA . 6926 1 69 . 1 1 9 9 THR CB C 13 70.422 0.15 . 1 . . . . 9 T CB . 6926 1 70 . 1 1 9 9 THR CG2 C 13 22.357 0.15 . 1 . . . . 9 T CG2 . 6926 1 71 . 1 1 9 9 THR N N 15 113.540 0.15 . 1 . . . . 9 T N . 6926 1 72 . 1 1 10 10 LYS H H 1 8.242 0.05 . 1 . . . . 10 K H . 6926 1 73 . 1 1 10 10 LYS HA H 1 4.314 0.05 . 1 . . . . 10 K HA . 6926 1 74 . 1 1 10 10 LYS HB2 H 1 1.820 0.05 . 1 . . . . 10 K HB2 . 6926 1 75 . 1 1 10 10 LYS C C 13 176.513 0.15 . 1 . . . . 10 K C . 6926 1 76 . 1 1 10 10 LYS CA C 13 57.173 0.15 . 1 . . . . 10 K CA . 6926 1 77 . 1 1 10 10 LYS CB C 13 33.511 0.15 . 1 . . . . 10 K CB . 6926 1 78 . 1 1 10 10 LYS CG C 13 25.350 0.15 . 1 . . . . 10 K CG . 6926 1 79 . 1 1 10 10 LYS CD C 13 29.587 0.15 . 1 . . . . 10 K CD . 6926 1 80 . 1 1 10 10 LYS CE C 13 42.962 0.15 . 1 . . . . 10 K CE . 6926 1 81 . 1 1 10 10 LYS N N 15 123.339 0.15 . 1 . . . . 10 K N . 6926 1 82 . 1 1 11 11 GLN H H 1 8.381 0.05 . 1 . . . . 11 Q H . 6926 1 83 . 1 1 11 11 GLN HA H 1 4.322 0.05 . 1 . . . . 11 Q HA . 6926 1 84 . 1 1 11 11 GLN HB2 H 1 2.050 0.05 . 2 . . . . 11 Q HB2 . 6926 1 85 . 1 1 11 11 GLN HB3 H 1 2.152 0.05 . 2 . . . . 11 Q HB3 . 6926 1 86 . 1 1 11 11 GLN HG2 H 1 2.401 0.05 . 1 . . . . 11 Q HG2 . 6926 1 87 . 1 1 11 11 GLN HE21 H 1 6.828 0.05 . 2 . . . . 11 Q HE21 . 6926 1 88 . 1 1 11 11 GLN HE22 H 1 7.551 0.05 . 2 . . . . 11 Q HE22 . 6926 1 89 . 1 1 11 11 GLN C C 13 176.073 0.15 . 1 . . . . 11 Q C . 6926 1 90 . 1 1 11 11 GLN CA C 13 56.689 0.15 . 1 . . . . 11 Q CA . 6926 1 91 . 1 1 11 11 GLN CB C 13 29.940 0.15 . 1 . . . . 11 Q CB . 6926 1 92 . 1 1 11 11 GLN CG C 13 34.480 0.15 . 1 . . . . 11 Q CG . 6926 1 93 . 1 1 11 11 GLN N N 15 120.885 0.15 . 1 . . . . 11 Q N . 6926 1 94 . 1 1 11 11 GLN NE2 N 15 112.338 0.15 . 1 . . . . 11 Q NE2 . 6926 1 95 . 1 1 12 12 GLU H H 1 8.407 0.05 . 1 . . . . 12 E H . 6926 1 96 . 1 1 12 12 GLU HA H 1 4.304 0.05 . 1 . . . . 12 E HA . 6926 1 97 . 1 1 12 12 GLU HB2 H 1 2.044 0.05 . 1 . . . . 12 E HB2 . 6926 1 98 . 1 1 12 12 GLU C C 13 176.253 0.15 . 1 . . . . 12 E C . 6926 1 99 . 1 1 12 12 GLU CA C 13 57.536 0.15 . 1 . . . . 12 E CA . 6926 1 100 . 1 1 12 12 GLU CB C 13 30.799 0.15 . 1 . . . . 12 E CB . 6926 1 101 . 1 1 12 12 GLU CG C 13 36.841 0.15 . 1 . . . . 12 E CG . 6926 1 102 . 1 1 12 12 GLU N N 15 121.152 0.15 . 1 . . . . 12 E N . 6926 1 103 . 1 1 13 13 LYS H H 1 8.220 0.05 . 1 . . . . 13 K H . 6926 1 104 . 1 1 13 13 LYS HA H 1 4.542 0.05 . 1 . . . . 13 K HA . 6926 1 105 . 1 1 13 13 LYS HB2 H 1 1.852 0.05 . 1 . . . . 13 K HB2 . 6926 1 106 . 1 1 13 13 LYS HG2 H 1 1.484 0.05 . 1 . . . . 13 K HG2 . 6926 1 107 . 1 1 13 13 LYS HD2 H 1 1.697 0.05 . 1 . . . . 13 K HD2 . 6926 1 108 . 1 1 13 13 LYS C C 13 175.856 0.15 . 1 . . . . 13 K C . 6926 1 109 . 1 1 13 13 LYS CA C 13 56.335 0.15 . 1 . . . . 13 K CA . 6926 1 110 . 1 1 13 13 LYS CB C 13 33.863 0.15 . 1 . . . . 13 K CB . 6926 1 111 . 1 1 13 13 LYS CG C 13 25.377 0.15 . 1 . . . . 13 K CG . 6926 1 112 . 1 1 13 13 LYS CD C 13 29.768 0.15 . 1 . . . . 13 K CD . 6926 1 113 . 1 1 13 13 LYS CE C 13 42.853 0.15 . 1 . . . . 13 K CE . 6926 1 114 . 1 1 13 13 LYS N N 15 121.312 0.15 . 1 . . . . 13 K N . 6926 1 115 . 1 1 14 14 SER H H 1 8.447 0.05 . 1 . . . . 14 S H . 6926 1 116 . 1 1 14 14 SER HA H 1 4.639 0.05 . 1 . . . . 14 S HA . 6926 1 117 . 1 1 14 14 SER HB2 H 1 3.984 0.05 . 2 . . . . 14 S HB2 . 6926 1 118 . 1 1 14 14 SER HB3 H 1 4.185 0.05 . 2 . . . . 14 S HB3 . 6926 1 119 . 1 1 14 14 SER C C 13 175.529 0.15 . 1 . . . . 14 S C . 6926 1 120 . 1 1 14 14 SER CA C 13 58.802 0.15 . 1 . . . . 14 S CA . 6926 1 121 . 1 1 14 14 SER CB C 13 64.803 0.15 . 1 . . . . 14 S CB . 6926 1 122 . 1 1 14 14 SER N N 15 116.487 0.15 . 1 . . . . 14 S N . 6926 1 123 . 1 1 15 15 PHE H H 1 8.802 0.05 . 1 . . . . 15 F H . 6926 1 124 . 1 1 15 15 PHE HA H 1 4.448 0.05 . 1 . . . . 15 F HA . 6926 1 125 . 1 1 15 15 PHE HB2 H 1 3.262 0.05 . 2 . . . . 15 F HB2 . 6926 1 126 . 1 1 15 15 PHE HB3 H 1 3.313 0.05 . 2 . . . . 15 F HB3 . 6926 1 127 . 1 1 15 15 PHE HD1 H 1 7.215 0.05 . 4 . . . . 15 F QD . 6926 1 128 . 1 1 15 15 PHE HD2 H 1 7.215 0.05 . 4 . . . . 15 F QD . 6926 1 129 . 1 1 15 15 PHE C C 13 176.935 0.15 . 1 . . . . 15 F C . 6926 1 130 . 1 1 15 15 PHE CA C 13 62.188 0.15 . 1 . . . . 15 F CA . 6926 1 131 . 1 1 15 15 PHE CB C 13 39.721 0.15 . 1 . . . . 15 F CB . 6926 1 132 . 1 1 15 15 PHE N N 15 124.339 0.15 . 1 . . . . 15 F N . 6926 1 133 . 1 1 16 16 VAL H H 1 8.025 0.05 . 1 . . . . 16 V H . 6926 1 134 . 1 1 16 16 VAL HA H 1 3.490 0.05 . 1 . . . . 16 V HA . 6926 1 135 . 1 1 16 16 VAL HB H 1 2.077 0.05 . 1 . . . . 16 V HB . 6926 1 136 . 1 1 16 16 VAL HG11 H 1 1.140 0.05 . 2 . . . . 16 V QG1 . 6926 1 137 . 1 1 16 16 VAL HG12 H 1 1.140 0.05 . 2 . . . . 16 V QG1 . 6926 1 138 . 1 1 16 16 VAL HG13 H 1 1.140 0.05 . 2 . . . . 16 V QG1 . 6926 1 139 . 1 1 16 16 VAL HG21 H 1 0.999 0.05 . 2 . . . . 16 V QG2 . 6926 1 140 . 1 1 16 16 VAL HG22 H 1 0.999 0.05 . 2 . . . . 16 V QG2 . 6926 1 141 . 1 1 16 16 VAL HG23 H 1 0.999 0.05 . 2 . . . . 16 V QG2 . 6926 1 142 . 1 1 16 16 VAL C C 13 177.123 0.15 . 1 . . . . 16 V C . 6926 1 143 . 1 1 16 16 VAL CA C 13 67.959 0.15 . 1 . . . . 16 V CA . 6926 1 144 . 1 1 16 16 VAL CB C 13 32.250 0.15 . 1 . . . . 16 V CB . 6926 1 145 . 1 1 16 16 VAL CG1 C 13 24.029 0.15 . 2 . . . . 16 V CG1 . 6926 1 146 . 1 1 16 16 VAL CG2 C 13 22.044 0.15 . 2 . . . . 16 V CG2 . 6926 1 147 . 1 1 16 16 VAL N N 15 118.329 0.15 . 1 . . . . 16 V N . 6926 1 148 . 1 1 17 17 ASP H H 1 7.926 0.05 . 1 . . . . 17 D H . 6926 1 149 . 1 1 17 17 ASP HA H 1 4.354 0.05 . 1 . . . . 17 D HA . 6926 1 150 . 1 1 17 17 ASP HB2 H 1 2.676 0.05 . 2 . . . . 17 D HB2 . 6926 1 151 . 1 1 17 17 ASP HB3 H 1 2.793 0.05 . 2 . . . . 17 D HB3 . 6926 1 152 . 1 1 17 17 ASP C C 13 179.625 0.15 . 1 . . . . 17 D C . 6926 1 153 . 1 1 17 17 ASP CA C 13 58.204 0.15 . 1 . . . . 17 D CA . 6926 1 154 . 1 1 17 17 ASP CB C 13 41.324 0.15 . 1 . . . . 17 D CB . 6926 1 155 . 1 1 17 17 ASP N N 15 118.753 0.15 . 1 . . . . 17 D N . 6926 1 156 . 1 1 18 18 TRP H H 1 8.174 0.05 . 1 . . . . 18 W H . 6926 1 157 . 1 1 18 18 TRP HA H 1 4.111 0.05 . 1 . . . . 18 W HA . 6926 1 158 . 1 1 18 18 TRP HB2 H 1 3.320 0.05 . 2 . . . . 18 W HB2 . 6926 1 159 . 1 1 18 18 TRP HB3 H 1 3.630 0.05 . 2 . . . . 18 W HB3 . 6926 1 160 . 1 1 18 18 TRP HD1 H 1 7.325 0.05 . 4 . . . . 18 W HD1 . 6926 1 161 . 1 1 18 18 TRP HE1 H 1 9.971 0.05 . 1 . . . . 18 W HE1 . 6926 1 162 . 1 1 18 18 TRP HZ2 H 1 7.482 0.05 . 4 . . . . 18 W HZ2 . 6926 1 163 . 1 1 18 18 TRP CA C 13 62.194 0.15 . 1 . . . . 18 W CA . 6926 1 164 . 1 1 18 18 TRP CB C 13 29.150 0.15 . 1 . . . . 18 W CB . 6926 1 165 . 1 1 18 18 TRP N N 15 122.311 0.15 . 1 . . . . 18 W N . 6926 1 166 . 1 1 18 18 TRP NE1 N 15 128.879 0.15 . 1 . . . . 18 W NE1 . 6926 1 167 . 1 1 19 19 LEU H H 1 8.517 0.05 . 1 . . . . 19 L H . 6926 1 168 . 1 1 19 19 LEU HA H 1 3.447 0.05 . 1 . . . . 19 L HA . 6926 1 169 . 1 1 19 19 LEU HB2 H 1 1.615 0.05 . 2 . . . . 19 L HB2 . 6926 1 170 . 1 1 19 19 LEU HB3 H 1 1.519 0.05 . 2 . . . . 19 L HB3 . 6926 1 171 . 1 1 19 19 LEU HG H 1 1.582 0.05 . 1 . . . . 19 L HG . 6926 1 172 . 1 1 19 19 LEU HD11 H 1 0.881 0.05 . 2 . . . . 19 L QD1 . 6926 1 173 . 1 1 19 19 LEU HD12 H 1 0.881 0.05 . 2 . . . . 19 L QD1 . 6926 1 174 . 1 1 19 19 LEU HD13 H 1 0.881 0.05 . 2 . . . . 19 L QD1 . 6926 1 175 . 1 1 19 19 LEU HD21 H 1 0.914 0.05 . 2 . . . . 19 L QD2 . 6926 1 176 . 1 1 19 19 LEU HD22 H 1 0.914 0.05 . 2 . . . . 19 L QD2 . 6926 1 177 . 1 1 19 19 LEU HD23 H 1 0.914 0.05 . 2 . . . . 19 L QD2 . 6926 1 178 . 1 1 19 19 LEU C C 13 179.115 0.15 . 1 . . . . 19 L C . 6926 1 179 . 1 1 19 19 LEU CA C 13 58.630 0.15 . 1 . . . . 19 L CA . 6926 1 180 . 1 1 19 19 LEU CB C 13 42.676 0.15 . 1 . . . . 19 L CB . 6926 1 181 . 1 1 19 19 LEU CG C 13 27.659 0.15 . 1 . . . . 19 L CG . 6926 1 182 . 1 1 19 19 LEU CD1 C 13 25.122 0.15 . 2 . . . . 19 L CD1 . 6926 1 183 . 1 1 19 19 LEU CD2 C 13 25.977 0.15 . 2 . . . . 19 L CD2 . 6926 1 184 . 1 1 19 19 LEU N N 15 120.943 0.15 . 1 . . . . 19 L N . 6926 1 185 . 1 1 20 20 LEU H H 1 8.713 0.05 . 1 . . . . 20 L H . 6926 1 186 . 1 1 20 20 LEU HA H 1 3.972 0.05 . 1 . . . . 20 L HA . 6926 1 187 . 1 1 20 20 LEU HB2 H 1 1.496 0.05 . 2 . . . . 20 L HB2 . 6926 1 188 . 1 1 20 20 LEU HB3 H 1 1.847 0.05 . 2 . . . . 20 L HB3 . 6926 1 189 . 1 1 20 20 LEU HG H 1 1.859 0.05 . 1 . . . . 20 L HG . 6926 1 190 . 1 1 20 20 LEU HD11 H 1 0.851 0.05 . 2 . . . . 20 L QD1 . 6926 1 191 . 1 1 20 20 LEU HD12 H 1 0.851 0.05 . 2 . . . . 20 L QD1 . 6926 1 192 . 1 1 20 20 LEU HD13 H 1 0.851 0.05 . 2 . . . . 20 L QD1 . 6926 1 193 . 1 1 20 20 LEU HD21 H 1 0.899 0.05 . 2 . . . . 20 L QD2 . 6926 1 194 . 1 1 20 20 LEU HD22 H 1 0.899 0.05 . 2 . . . . 20 L QD2 . 6926 1 195 . 1 1 20 20 LEU HD23 H 1 0.899 0.05 . 2 . . . . 20 L QD2 . 6926 1 196 . 1 1 20 20 LEU C C 13 180.266 0.15 . 1 . . . . 20 L C . 6926 1 197 . 1 1 20 20 LEU CA C 13 58.318 0.15 . 1 . . . . 20 L CA . 6926 1 198 . 1 1 20 20 LEU CB C 13 41.655 0.15 . 1 . . . . 20 L CB . 6926 1 199 . 1 1 20 20 LEU CG C 13 27.834 0.15 . 1 . . . . 20 L CG . 6926 1 200 . 1 1 20 20 LEU CD1 C 13 23.478 0.15 . 2 . . . . 20 L CD1 . 6926 1 201 . 1 1 20 20 LEU CD2 C 13 25.953 0.15 . 2 . . . . 20 L CD2 . 6926 1 202 . 1 1 20 20 LEU N N 15 117.598 0.15 . 1 . . . . 20 L N . 6926 1 203 . 1 1 21 21 GLY H H 1 7.783 0.05 . 1 . . . . 21 G H . 6926 1 204 . 1 1 21 21 GLY HA2 H 1 3.829 0.05 . 1 . . . . 21 G HA2 . 6926 1 205 . 1 1 21 21 GLY C C 13 175.390 0.15 . 1 . . . . 21 G C . 6926 1 206 . 1 1 21 21 GLY CA C 13 46.978 0.15 . 1 . . . . 21 G CA . 6926 1 207 . 1 1 21 21 GLY N N 15 106.102 0.15 . 1 . . . . 21 G N . 6926 1 208 . 1 1 22 22 LYS H H 1 7.443 0.05 . 1 . . . . 22 K H . 6926 1 209 . 1 1 22 22 LYS HA H 1 4.090 0.05 . 1 . . . . 22 K HA . 6926 1 210 . 1 1 22 22 LYS HB2 H 1 1.629 0.05 . 2 . . . . 22 K HB2 . 6926 1 211 . 1 1 22 22 LYS HB3 H 1 1.562 0.05 . 2 . . . . 22 K HB3 . 6926 1 212 . 1 1 22 22 LYS HG2 H 1 0.614 0.05 . 2 . . . . 22 K HG2 . 6926 1 213 . 1 1 22 22 LYS HG3 H 1 0.903 0.05 . 2 . . . . 22 K HG3 . 6926 1 214 . 1 1 22 22 LYS HD2 H 1 1.253 0.05 . 1 . . . . 22 K HD2 . 6926 1 215 . 1 1 22 22 LYS HE2 H 1 2.727 0.05 . 2 . . . . 22 K HE2 . 6926 1 216 . 1 1 22 22 LYS HE3 H 1 2.318 0.05 . 2 . . . . 22 K HE3 . 6926 1 217 . 1 1 22 22 LYS C C 13 177.806 0.15 . 1 . . . . 22 K C . 6926 1 218 . 1 1 22 22 LYS CA C 13 56.974 0.15 . 1 . . . . 22 K CA . 6926 1 219 . 1 1 22 22 LYS CB C 13 32.718 0.15 . 1 . . . . 22 K CB . 6926 1 220 . 1 1 22 22 LYS CG C 13 23.901 0.15 . 1 . . . . 22 K CG . 6926 1 221 . 1 1 22 22 LYS CD C 13 28.187 0.15 . 1 . . . . 22 K CD . 6926 1 222 . 1 1 22 22 LYS CE C 13 42.676 0.15 . 1 . . . . 22 K CE . 6926 1 223 . 1 1 22 22 LYS N N 15 118.883 0.15 . 1 . . . . 22 K N . 6926 1 224 . 1 1 23 23 ILE H H 1 7.550 0.05 . 1 . . . . 23 I H . 6926 1 225 . 1 1 23 23 ILE HA H 1 4.165 0.05 . 1 . . . . 23 I HA . 6926 1 226 . 1 1 23 23 ILE HB H 1 1.992 0.05 . 1 . . . . 23 I HB . 6926 1 227 . 1 1 23 23 ILE HG12 H 1 1.261 0.05 . 2 . . . . 23 I HG12 . 6926 1 228 . 1 1 23 23 ILE HG13 H 1 1.561 0.05 . 2 . . . . 23 I HG13 . 6926 1 229 . 1 1 23 23 ILE HG21 H 1 0.904 0.05 . 1 . . . . 23 I QG2 . 6926 1 230 . 1 1 23 23 ILE HG22 H 1 0.904 0.05 . 1 . . . . 23 I QG2 . 6926 1 231 . 1 1 23 23 ILE HG23 H 1 0.904 0.05 . 1 . . . . 23 I QG2 . 6926 1 232 . 1 1 23 23 ILE HD11 H 1 0.819 0.05 . 1 . . . . 23 I QD1 . 6926 1 233 . 1 1 23 23 ILE HD12 H 1 0.819 0.05 . 1 . . . . 23 I QD1 . 6926 1 234 . 1 1 23 23 ILE HD13 H 1 0.819 0.05 . 1 . . . . 23 I QD1 . 6926 1 235 . 1 1 23 23 ILE C C 13 175.996 0.15 . 1 . . . . 23 I C . 6926 1 236 . 1 1 23 23 ILE CA C 13 62.916 0.15 . 1 . . . . 23 I CA . 6926 1 237 . 1 1 23 23 ILE CB C 13 39.444 0.15 . 1 . . . . 23 I CB . 6926 1 238 . 1 1 23 23 ILE CG1 C 13 28.022 0.15 . 1 . . . . 23 I CG1 . 6926 1 239 . 1 1 23 23 ILE CG2 C 13 18.214 0.15 . 1 . . . . 23 I CG2 . 6926 1 240 . 1 1 23 23 ILE CD1 C 13 14.419 0.15 . 1 . . . . 23 I CD1 . 6926 1 241 . 1 1 23 23 ILE N N 15 114.457 0.15 . 1 . . . . 23 I N . 6926 1 242 . 1 1 24 24 THR H H 1 7.778 0.05 . 1 . . . . 24 T H . 6926 1 243 . 1 1 24 24 THR HA H 1 4.379 0.05 . 1 . . . . 24 T HA . 6926 1 244 . 1 1 24 24 THR HB H 1 4.324 0.05 . 1 . . . . 24 T HB . 6926 1 245 . 1 1 24 24 THR HG21 H 1 1.227 0.05 . 1 . . . . 24 T QG2 . 6926 1 246 . 1 1 24 24 THR HG22 H 1 1.227 0.05 . 1 . . . . 24 T QG2 . 6926 1 247 . 1 1 24 24 THR HG23 H 1 1.227 0.05 . 1 . . . . 24 T QG2 . 6926 1 248 . 1 1 24 24 THR C C 13 174.616 0.15 . 1 . . . . 24 T C . 6926 1 249 . 1 1 24 24 THR CA C 13 62.699 0.15 . 1 . . . . 24 T CA . 6926 1 250 . 1 1 24 24 THR CB C 13 70.567 0.15 . 1 . . . . 24 T CB . 6926 1 251 . 1 1 24 24 THR CG2 C 13 22.259 0.15 . 1 . . . . 24 T CG2 . 6926 1 252 . 1 1 24 24 THR N N 15 113.224 0.15 . 1 . . . . 24 T N . 6926 1 253 . 1 1 25 25 LYS H H 1 7.956 0.05 . 1 . . . . 25 K H . 6926 1 254 . 1 1 25 25 LYS HB2 H 1 1.635 0.05 . 1 . . . . 25 K HB2 . 6926 1 255 . 1 1 25 25 LYS HG2 H 1 1.402 0.05 . 1 . . . . 25 K HG2 . 6926 1 256 . 1 1 25 25 LYS HD2 H 1 1.816 0.05 . 1 . . . . 25 K HD2 . 6926 1 257 . 1 1 25 25 LYS HE2 H 1 2.662 0.05 . 2 . . . . 25 K HE2 . 6926 1 258 . 1 1 25 25 LYS HE3 H 1 2.581 0.05 . 2 . . . . 25 K HE3 . 6926 1 259 . 1 1 25 25 LYS CA C 13 56.696 0.15 . 1 . . . . 25 K CA . 6926 1 260 . 1 1 25 25 LYS CB C 13 33.428 0.15 . 1 . . . . 25 K CB . 6926 1 261 . 1 1 25 25 LYS CE C 13 42.901 0.15 . 1 . . . . 25 K CE . 6926 1 262 . 1 1 25 25 LYS N N 15 122.468 0.15 . 1 . . . . 25 K N . 6926 1 263 . 1 1 26 26 GLU H H 1 8.392 0.05 . 1 . . . . 26 E H . 6926 1 264 . 1 1 26 26 GLU HA H 1 4.230 0.05 . 1 . . . . 26 E HA . 6926 1 265 . 1 1 26 26 GLU HB2 H 1 1.987 0.05 . 2 . . . . 26 E HB2 . 6926 1 266 . 1 1 26 26 GLU HB3 H 1 2.053 0.05 . 2 . . . . 26 E HB3 . 6926 1 267 . 1 1 26 26 GLU HG2 H 1 2.254 0.05 . 1 . . . . 26 E HG2 . 6926 1 268 . 1 1 26 26 GLU C C 13 176.320 0.15 . 1 . . . . 26 E C . 6926 1 269 . 1 1 26 26 GLU CA C 13 57.616 0.15 . 1 . . . . 26 E CA . 6926 1 270 . 1 1 26 26 GLU CB C 13 30.854 0.15 . 1 . . . . 26 E CB . 6926 1 271 . 1 1 26 26 GLU CG C 13 36.775 0.15 . 1 . . . . 26 E CG . 6926 1 272 . 1 1 26 26 GLU N N 15 121.068 0.15 . 1 . . . . 26 E N . 6926 1 273 . 1 1 27 27 ASP H H 1 8.299 0.05 . 1 . . . . 27 D H . 6926 1 274 . 1 1 27 27 ASP HA H 1 4.496 0.05 . 1 . . . . 27 D HA . 6926 1 275 . 1 1 27 27 ASP HB2 H 1 2.644 0.05 . 1 . . . . 27 D HB2 . 6926 1 276 . 1 1 27 27 ASP C C 13 175.931 0.15 . 1 . . . . 27 D C . 6926 1 277 . 1 1 27 27 ASP CA C 13 55.161 0.15 . 1 . . . . 27 D CA . 6926 1 278 . 1 1 27 27 ASP CB C 13 41.532 0.15 . 1 . . . . 27 D CB . 6926 1 279 . 1 1 27 27 ASP N N 15 119.412 0.15 . 1 . . . . 27 D N . 6926 1 280 . 1 1 28 28 GLN H H 1 8.108 0.05 . 1 . . . . 28 Q H . 6926 1 281 . 1 1 28 28 GLN HA H 1 4.215 0.05 . 1 . . . . 28 Q HA . 6926 1 282 . 1 1 28 28 GLN HB2 H 1 1.875 0.05 . 1 . . . . 28 Q HB2 . 6926 1 283 . 1 1 28 28 GLN HG2 H 1 2.144 0.05 . 1 . . . . 28 Q HG2 . 6926 1 284 . 1 1 28 28 GLN HE21 H 1 6.806 0.05 . 2 . . . . 28 Q HE21 . 6926 1 285 . 1 1 28 28 GLN HE22 H 1 7.401 0.05 . 2 . . . . 28 Q HE22 . 6926 1 286 . 1 1 28 28 GLN C C 13 175.845 0.15 . 1 . . . . 28 Q C . 6926 1 287 . 1 1 28 28 GLN CA C 13 56.559 0.15 . 1 . . . . 28 Q CA . 6926 1 288 . 1 1 28 28 GLN CB C 13 30.105 0.15 . 1 . . . . 28 Q CB . 6926 1 289 . 1 1 28 28 GLN CG C 13 34.218 0.15 . 1 . . . . 28 Q CG . 6926 1 290 . 1 1 28 28 GLN N N 15 119.037 0.15 . 1 . . . . 28 Q N . 6926 1 291 . 1 1 28 28 GLN NE2 N 15 112.292 0.15 . 1 . . . . 28 Q NE2 . 6926 1 292 . 1 1 29 29 PHE H H 1 8.235 0.05 . 1 . . . . 29 F H . 6926 1 293 . 1 1 29 29 PHE HA H 1 4.514 0.05 . 1 . . . . 29 F HA . 6926 1 294 . 1 1 29 29 PHE HB2 H 1 3.043 0.05 . 1 . . . . 29 F HB2 . 6926 1 295 . 1 1 29 29 PHE HD1 H 1 7.311 0.05 . 4 . . . . 29 F QD . 6926 1 296 . 1 1 29 29 PHE HD2 H 1 7.311 0.05 . 4 . . . . 29 F QD . 6926 1 297 . 1 1 29 29 PHE HE1 H 1 7.192 0.05 . 4 . . . . 29 F QE . 6926 1 298 . 1 1 29 29 PHE HE2 H 1 7.192 0.05 . 4 . . . . 29 F QE . 6926 1 299 . 1 1 29 29 PHE C C 13 175.361 0.15 . 1 . . . . 29 F C . 6926 1 300 . 1 1 29 29 PHE CA C 13 58.810 0.15 . 1 . . . . 29 F CA . 6926 1 301 . 1 1 29 29 PHE CB C 13 40.000 0.15 . 1 . . . . 29 F CB . 6926 1 302 . 1 1 29 29 PHE N N 15 120.622 0.15 . 1 . . . . 29 F N . 6926 1 303 . 1 1 30 30 TYR H H 1 7.715 0.05 . 1 . . . . 30 Y H . 6926 1 304 . 1 1 30 30 TYR HA H 1 4.508 0.05 . 1 . . . . 30 Y HA . 6926 1 305 . 1 1 30 30 TYR HB3 H 1 2.957 0.05 . 1 . . . . 30 Y HB3 . 6926 1 306 . 1 1 30 30 TYR HD1 H 1 6.815 0.05 . 1 . . . . 30 Y QD . 6926 1 307 . 1 1 30 30 TYR HD2 H 1 6.815 0.05 . 1 . . . . 30 Y QD . 6926 1 308 . 1 1 30 30 TYR HE1 H 1 7.065 0.05 . 1 . . . . 30 Y QE . 6926 1 309 . 1 1 30 30 TYR HE2 H 1 7.065 0.05 . 1 . . . . 30 Y QE . 6926 1 310 . 1 1 30 30 TYR C C 13 175.416 0.15 . 1 . . . . 30 Y C . 6926 1 311 . 1 1 30 30 TYR CA C 13 58.544 0.15 . 1 . . . . 30 Y CA . 6926 1 312 . 1 1 30 30 TYR CB C 13 39.613 0.15 . 1 . . . . 30 Y CB . 6926 1 313 . 1 1 30 30 TYR N N 15 119.864 0.15 . 1 . . . . 30 Y N . 6926 1 314 . 1 1 31 31 GLU H H 1 8.187 0.05 . 1 . . . . 31 E H . 6926 1 315 . 1 1 31 31 GLU HA H 1 4.293 0.05 . 1 . . . . 31 E HA . 6926 1 316 . 1 1 31 31 GLU HB2 H 1 1.925 0.05 . 2 . . . . 31 E HB2 . 6926 1 317 . 1 1 31 31 GLU HB3 H 1 2.066 0.05 . 2 . . . . 31 E HB3 . 6926 1 318 . 1 1 31 31 GLU HG2 H 1 2.202 0.05 . 1 . . . . 31 E HG2 . 6926 1 319 . 1 1 31 31 GLU C C 13 176.148 0.15 . 1 . . . . 31 E C . 6926 1 320 . 1 1 31 31 GLU CA C 13 57.172 0.15 . 1 . . . . 31 E CA . 6926 1 321 . 1 1 31 31 GLU CB C 13 30.845 0.15 . 1 . . . . 31 E CB . 6926 1 322 . 1 1 31 31 GLU CG C 13 36.810 0.15 . 1 . . . . 31 E CG . 6926 1 323 . 1 1 31 31 GLU N N 15 121.546 0.15 . 1 . . . . 31 E N . 6926 1 324 . 1 1 32 32 THR H H 1 7.864 0.05 . 1 . . . . 32 T H . 6926 1 325 . 1 1 32 32 THR HA H 1 4.359 0.05 . 1 . . . . 32 T HA . 6926 1 326 . 1 1 32 32 THR HB H 1 4.194 0.05 . 1 . . . . 32 T HB . 6926 1 327 . 1 1 32 32 THR HG21 H 1 1.200 0.05 . 1 . . . . 32 T QG2 . 6926 1 328 . 1 1 32 32 THR HG22 H 1 1.200 0.05 . 1 . . . . 32 T QG2 . 6926 1 329 . 1 1 32 32 THR HG23 H 1 1.200 0.05 . 1 . . . . 32 T QG2 . 6926 1 330 . 1 1 32 32 THR C C 13 173.970 0.15 . 1 . . . . 32 T C . 6926 1 331 . 1 1 32 32 THR CA C 13 62.043 0.15 . 1 . . . . 32 T CA . 6926 1 332 . 1 1 32 32 THR CB C 13 70.721 0.15 . 1 . . . . 32 T CB . 6926 1 333 . 1 1 32 32 THR CG2 C 13 22.225 0.15 . 1 . . . . 32 T CG2 . 6926 1 334 . 1 1 32 32 THR N N 15 113.695 0.15 . 1 . . . . 32 T N . 6926 1 335 . 1 1 33 33 ASP H H 1 8.317 0.05 . 1 . . . . 33 D H . 6926 1 336 . 1 1 33 33 ASP HA H 1 4.880 0.05 . 1 . . . . 33 D HA . 6926 1 337 . 1 1 33 33 ASP HB2 H 1 2.529 0.05 . 2 . . . . 33 D HB2 . 6926 1 338 . 1 1 33 33 ASP HB3 H 1 2.728 0.05 . 2 . . . . 33 D HB3 . 6926 1 339 . 1 1 33 33 ASP CA C 13 53.661 0.15 . 1 . . . . 33 D CA . 6926 1 340 . 1 1 33 33 ASP CB C 13 41.474 0.15 . 1 . . . . 33 D CB . 6926 1 341 . 1 1 33 33 ASP N N 15 123.601 0.15 . 1 . . . . 33 D N . 6926 1 342 . 1 1 34 34 PRO HA H 1 4.408 0.05 . 1 . . . . 34 P HA . 6926 1 343 . 1 1 34 34 PRO HB2 H 1 1.912 0.05 . 2 . . . . 34 P HB2 . 6926 1 344 . 1 1 34 34 PRO HB3 H 1 2.297 0.05 . 2 . . . . 34 P HB3 . 6926 1 345 . 1 1 34 34 PRO HG2 H 1 1.972 0.05 . 1 . . . . 34 P HG2 . 6926 1 346 . 1 1 34 34 PRO HD2 H 1 3.692 0.05 . 2 . . . . 34 P HD2 . 6926 1 347 . 1 1 34 34 PRO HD3 H 1 3.784 0.05 . 2 . . . . 34 P HD3 . 6926 1 348 . 1 1 34 34 PRO C C 13 174.420 0.15 . 1 . . . . 34 P C . 6926 1 349 . 1 1 34 34 PRO CA C 13 64.164 0.15 . 1 . . . . 34 P CA . 6926 1 350 . 1 1 34 34 PRO CB C 13 32.774 0.15 . 1 . . . . 34 P CB . 6926 1 351 . 1 1 34 34 PRO CG C 13 28.050 0.15 . 1 . . . . 34 P CG . 6926 1 352 . 1 1 34 34 PRO CD C 13 51.252 0.15 . 1 . . . . 34 P CD . 6926 1 353 . 1 1 35 35 ILE H H 1 8.143 0.05 . 1 . . . . 35 I H . 6926 1 354 . 1 1 35 35 ILE HA H 1 4.046 0.05 . 1 . . . . 35 I HA . 6926 1 355 . 1 1 35 35 ILE HB H 1 1.902 0.05 . 1 . . . . 35 I HB . 6926 1 356 . 1 1 35 35 ILE HG12 H 1 1.601 0.05 . 2 . . . . 35 I HG12 . 6926 1 357 . 1 1 35 35 ILE HG13 H 1 1.249 0.05 . 2 . . . . 35 I HG13 . 6926 1 358 . 1 1 35 35 ILE HG21 H 1 0.925 0.05 . 1 . . . . 35 I QG2 . 6926 1 359 . 1 1 35 35 ILE HG22 H 1 0.925 0.05 . 1 . . . . 35 I QG2 . 6926 1 360 . 1 1 35 35 ILE HG23 H 1 0.925 0.05 . 1 . . . . 35 I QG2 . 6926 1 361 . 1 1 35 35 ILE HD11 H 1 0.902 0.05 . 1 . . . . 35 I QD1 . 6926 1 362 . 1 1 35 35 ILE HD12 H 1 0.902 0.05 . 1 . . . . 35 I QD1 . 6926 1 363 . 1 1 35 35 ILE HD13 H 1 0.902 0.05 . 1 . . . . 35 I QD1 . 6926 1 364 . 1 1 35 35 ILE C C 13 176.474 0.15 . 1 . . . . 35 I C . 6926 1 365 . 1 1 35 35 ILE CA C 13 62.937 0.15 . 1 . . . . 35 I CA . 6926 1 366 . 1 1 35 35 ILE CB C 13 39.275 0.15 . 1 . . . . 35 I CB . 6926 1 367 . 1 1 35 35 ILE CG1 C 13 28.388 0.15 . 1 . . . . 35 I CG1 . 6926 1 368 . 1 1 35 35 ILE CG2 C 13 18.242 0.15 . 1 . . . . 35 I CG2 . 6926 1 369 . 1 1 35 35 ILE CD1 C 13 13.624 0.15 . 1 . . . . 35 I CD1 . 6926 1 370 . 1 1 35 35 ILE N N 15 120.322 0.15 . 1 . . . . 35 I N . 6926 1 371 . 1 1 36 36 LEU H H 1 7.975 0.05 . 1 . . . . 36 L H . 6926 1 372 . 1 1 36 36 LEU HA H 1 4.398 0.05 . 1 . . . . 36 L HA . 6926 1 373 . 1 1 36 36 LEU HB2 H 1 1.773 0.05 . 2 . . . . 36 L HB2 . 6926 1 374 . 1 1 36 36 LEU HB3 H 1 1.611 0.05 . 2 . . . . 36 L HB3 . 6926 1 375 . 1 1 36 36 LEU HD11 H 1 0.922 0.05 . 2 . . . . 36 L QD1 . 6926 1 376 . 1 1 36 36 LEU HD12 H 1 0.922 0.05 . 2 . . . . 36 L QD1 . 6926 1 377 . 1 1 36 36 LEU HD13 H 1 0.922 0.05 . 2 . . . . 36 L QD1 . 6926 1 378 . 1 1 36 36 LEU HD21 H 1 0.976 0.05 . 2 . . . . 36 L QD2 . 6926 1 379 . 1 1 36 36 LEU HD22 H 1 0.976 0.05 . 2 . . . . 36 L QD2 . 6926 1 380 . 1 1 36 36 LEU HD23 H 1 0.976 0.05 . 2 . . . . 36 L QD2 . 6926 1 381 . 1 1 36 36 LEU C C 13 177.299 0.15 . 1 . . . . 36 L C . 6926 1 382 . 1 1 36 36 LEU CA C 13 56.022 0.15 . 1 . . . . 36 L CA . 6926 1 383 . 1 1 36 36 LEU CB C 13 42.837 0.15 . 1 . . . . 36 L CB . 6926 1 384 . 1 1 36 36 LEU CG C 13 27.676 0.15 . 1 . . . . 36 L CG . 6926 1 385 . 1 1 36 36 LEU CD1 C 13 24.132 0.15 . 2 . . . . 36 L CD1 . 6926 1 386 . 1 1 36 36 LEU CD2 C 13 26.021 0.15 . 2 . . . . 36 L CD2 . 6926 1 387 . 1 1 36 36 LEU N N 15 121.023 0.15 . 1 . . . . 36 L N . 6926 1 388 . 1 1 37 37 ARG H H 1 7.932 0.05 . 1 . . . . 37 R H . 6926 1 389 . 1 1 37 37 ARG HA H 1 4.345 0.05 . 1 . . . . 37 R HA . 6926 1 390 . 1 1 37 37 ARG HB2 H 1 1.810 0.05 . 2 . . . . 37 R HB2 . 6926 1 391 . 1 1 37 37 ARG HB3 H 1 1.953 0.05 . 2 . . . . 37 R HB3 . 6926 1 392 . 1 1 37 37 ARG HG2 H 1 1.689 0.05 . 1 . . . . 37 R HG2 . 6926 1 393 . 1 1 37 37 ARG HD2 H 1 3.219 0.05 . 1 . . . . 37 R HD2 . 6926 1 394 . 1 1 37 37 ARG HE H 1 7.173 0.05 . 1 . . . . 37 R HE . 6926 1 395 . 1 1 37 37 ARG C C 13 176.869 0.15 . 1 . . . . 37 R C . 6926 1 396 . 1 1 37 37 ARG CA C 13 56.912 0.15 . 1 . . . . 37 R CA . 6926 1 397 . 1 1 37 37 ARG CB C 13 31.127 0.15 . 1 . . . . 37 R CB . 6926 1 398 . 1 1 37 37 ARG CG C 13 27.991 0.15 . 1 . . . . 37 R CG . 6926 1 399 . 1 1 37 37 ARG CD C 13 44.172 0.15 . 1 . . . . 37 R CD . 6926 1 400 . 1 1 37 37 ARG N N 15 118.673 0.15 . 1 . . . . 37 R N . 6926 1 401 . 1 1 37 37 ARG NE N 15 84.224 0.15 . 1 . . . . 37 R NE . 6926 1 402 . 1 1 38 38 GLY H H 1 8.271 0.05 . 1 . . . . 38 G H . 6926 1 403 . 1 1 38 38 GLY HA2 H 1 3.986 0.05 . 1 . . . . 38 G HA2 . 6926 1 404 . 1 1 38 38 GLY C C 13 174.864 0.15 . 1 . . . . 38 G C . 6926 1 405 . 1 1 38 38 GLY CA C 13 46.258 0.15 . 1 . . . . 38 G CA . 6926 1 406 . 1 1 38 38 GLY N N 15 108.377 0.15 . 1 . . . . 38 G N . 6926 1 407 . 1 1 39 39 GLY H H 1 8.218 0.05 . 1 . . . . 39 G H . 6926 1 408 . 1 1 39 39 GLY HA2 H 1 3.998 0.05 . 1 . . . . 39 G HA2 . 6926 1 409 . 1 1 39 39 GLY C C 13 174.158 0.15 . 1 . . . . 39 G C . 6926 1 410 . 1 1 39 39 GLY CA C 13 46.187 0.15 . 1 . . . . 39 G CA . 6926 1 411 . 1 1 39 39 GLY N N 15 108.485 0.15 . 1 . . . . 39 G N . 6926 1 412 . 1 1 40 40 ASP H H 1 8.274 0.05 . 1 . . . . 40 D H . 6926 1 413 . 1 1 40 40 ASP HA H 1 4.699 0.05 . 1 . . . . 40 D HA . 6926 1 414 . 1 1 40 40 ASP HB2 H 1 2.748 0.05 . 1 . . . . 40 D HB2 . 6926 1 415 . 1 1 40 40 ASP C C 13 176.791 0.15 . 1 . . . . 40 D C . 6926 1 416 . 1 1 40 40 ASP CA C 13 55.105 0.15 . 1 . . . . 40 D CA . 6926 1 417 . 1 1 40 40 ASP CB C 13 41.715 0.15 . 1 . . . . 40 D CB . 6926 1 418 . 1 1 40 40 ASP N N 15 120.261 0.15 . 1 . . . . 40 D N . 6926 1 419 . 1 1 41 41 VAL H H 1 8.071 0.05 . 1 . . . . 41 V H . 6926 1 420 . 1 1 41 41 VAL HA H 1 3.993 0.05 . 1 . . . . 41 V HA . 6926 1 421 . 1 1 41 41 VAL HB H 1 2.168 0.05 . 1 . . . . 41 V HB . 6926 1 422 . 1 1 41 41 VAL HG21 H 1 0.974 0.05 . 1 . . . . 41 V QG2 . 6926 1 423 . 1 1 41 41 VAL HG22 H 1 0.974 0.05 . 1 . . . . 41 V QG2 . 6926 1 424 . 1 1 41 41 VAL HG23 H 1 0.974 0.05 . 1 . . . . 41 V QG2 . 6926 1 425 . 1 1 41 41 VAL C C 13 176.869 0.15 . 1 . . . . 41 V C . 6926 1 426 . 1 1 41 41 VAL CA C 13 64.502 0.15 . 1 . . . . 41 V CA . 6926 1 427 . 1 1 41 41 VAL CB C 13 32.773 0.15 . 1 . . . . 41 V CB . 6926 1 428 . 1 1 41 41 VAL CG2 C 13 21.932 0.15 . 1 . . . . 41 V CG2 . 6926 1 429 . 1 1 41 41 VAL N N 15 120.111 0.15 . 1 . . . . 41 V N . 6926 1 430 . 1 1 42 42 LYS H H 1 8.213 0.05 . 1 . . . . 42 K H . 6926 1 431 . 1 1 42 42 LYS HA H 1 4.299 0.05 . 1 . . . . 42 K HA . 6926 1 432 . 1 1 42 42 LYS HB2 H 1 1.876 0.05 . 1 . . . . 42 K HB2 . 6926 1 433 . 1 1 42 42 LYS HG2 H 1 1.476 0.05 . 1 . . . . 42 K HG2 . 6926 1 434 . 1 1 42 42 LYS C C 13 177.041 0.15 . 1 . . . . 42 K C . 6926 1 435 . 1 1 42 42 LYS CA C 13 57.639 0.15 . 1 . . . . 42 K CA . 6926 1 436 . 1 1 42 42 LYS CB C 13 33.227 0.15 . 1 . . . . 42 K CB . 6926 1 437 . 1 1 42 42 LYS CG C 13 25.488 0.15 . 1 . . . . 42 K CG . 6926 1 438 . 1 1 42 42 LYS CD C 13 29.664 0.15 . 1 . . . . 42 K CD . 6926 1 439 . 1 1 42 42 LYS CE C 13 42.798 0.15 . 1 . . . . 42 K CE . 6926 1 440 . 1 1 42 42 LYS N N 15 121.557 0.15 . 1 . . . . 42 K N . 6926 1 441 . 1 1 43 43 SER H H 1 8.126 0.05 . 1 . . . . 43 S H . 6926 1 442 . 1 1 43 43 SER HA H 1 4.452 0.05 . 1 . . . . 43 S HA . 6926 1 443 . 1 1 43 43 SER HB2 H 1 3.941 0.05 . 1 . . . . 43 S HB2 . 6926 1 444 . 1 1 43 43 SER C C 13 175.085 0.15 . 1 . . . . 43 S C . 6926 1 445 . 1 1 43 43 SER CA C 13 59.403 0.15 . 1 . . . . 43 S CA . 6926 1 446 . 1 1 43 43 SER CB C 13 64.208 0.15 . 1 . . . . 43 S CB . 6926 1 447 . 1 1 43 43 SER N N 15 115.295 0.15 . 1 . . . . 43 S N . 6926 1 448 . 1 1 44 44 SER H H 1 8.251 0.05 . 1 . . . . 44 S H . 6926 1 449 . 1 1 44 44 SER HA H 1 4.479 0.05 . 1 . . . . 44 S HA . 6926 1 450 . 1 1 44 44 SER HB2 H 1 3.948 0.05 . 1 . . . . 44 S HB2 . 6926 1 451 . 1 1 44 44 SER C C 13 175.331 0.15 . 1 . . . . 44 S C . 6926 1 452 . 1 1 44 44 SER CA C 13 59.701 0.15 . 1 . . . . 44 S CA . 6926 1 453 . 1 1 44 44 SER CB C 13 64.453 0.15 . 1 . . . . 44 S CB . 6926 1 454 . 1 1 44 44 SER N N 15 117.357 0.15 . 1 . . . . 44 S N . 6926 1 455 . 1 1 45 45 GLY H H 1 8.401 0.05 . 1 . . . . 45 G H . 6926 1 456 . 1 1 45 45 GLY HA2 H 1 4.030 0.05 . 1 . . . . 45 G HA2 . 6926 1 457 . 1 1 45 45 GLY C C 13 174.472 0.15 . 1 . . . . 45 G C . 6926 1 458 . 1 1 45 45 GLY CA C 13 46.258 0.15 . 1 . . . . 45 G CA . 6926 1 459 . 1 1 45 45 GLY N N 15 110.523 0.15 . 1 . . . . 45 G N . 6926 1 460 . 1 1 46 46 SER H H 1 8.177 0.05 . 1 . . . . 46 S H . 6926 1 461 . 1 1 46 46 SER HA H 1 4.536 0.05 . 1 . . . . 46 S HA . 6926 1 462 . 1 1 46 46 SER HB2 H 1 3.944 0.05 . 1 . . . . 46 S HB2 . 6926 1 463 . 1 1 46 46 SER C C 13 175.206 0.15 . 1 . . . . 46 S C . 6926 1 464 . 1 1 46 46 SER CA C 13 59.244 0.15 . 1 . . . . 46 S CA . 6926 1 465 . 1 1 46 46 SER CB C 13 64.484 0.15 . 1 . . . . 46 S CB . 6926 1 466 . 1 1 46 46 SER N N 15 115.297 0.15 . 1 . . . . 46 S N . 6926 1 467 . 1 1 47 47 THR H H 1 8.198 0.05 . 1 . . . . 47 T H . 6926 1 468 . 1 1 47 47 THR HA H 1 4.432 0.05 . 1 . . . . 47 T HA . 6926 1 469 . 1 1 47 47 THR HB H 1 4.346 0.05 . 1 . . . . 47 T HB . 6926 1 470 . 1 1 47 47 THR C C 13 174.939 0.15 . 1 . . . . 47 T C . 6926 1 471 . 1 1 47 47 THR CA C 13 62.746 0.15 . 1 . . . . 47 T CA . 6926 1 472 . 1 1 47 47 THR CB C 13 70.246 0.15 . 1 . . . . 47 T CB . 6926 1 473 . 1 1 47 47 THR CG2 C 13 22.221 0.15 . 1 . . . . 47 T CG2 . 6926 1 474 . 1 1 47 47 THR N N 15 114.635 0.15 . 1 . . . . 47 T N . 6926 1 475 . 1 1 48 48 SER H H 1 8.228 0.05 . 1 . . . . 48 S H . 6926 1 476 . 1 1 48 48 SER HA H 1 4.473 0.05 . 1 . . . . 48 S HA . 6926 1 477 . 1 1 48 48 SER HB2 H 1 3.932 0.05 . 1 . . . . 48 S HB2 . 6926 1 478 . 1 1 48 48 SER C C 13 175.241 0.15 . 1 . . . . 48 S C . 6926 1 479 . 1 1 48 48 SER CA C 13 59.480 0.15 . 1 . . . . 48 S CA . 6926 1 480 . 1 1 48 48 SER CB C 13 64.429 0.15 . 1 . . . . 48 S CB . 6926 1 481 . 1 1 48 48 SER N N 15 117.146 0.15 . 1 . . . . 48 S N . 6926 1 482 . 1 1 49 49 GLY H H 1 8.342 0.05 . 1 . . . . 49 G H . 6926 1 483 . 1 1 49 49 GLY HA2 H 1 4.048 0.05 . 1 . . . . 49 G HA2 . 6926 1 484 . 1 1 49 49 GLY C C 13 174.776 0.15 . 1 . . . . 49 G C . 6926 1 485 . 1 1 49 49 GLY CA C 13 46.233 0.15 . 1 . . . . 49 G CA . 6926 1 486 . 1 1 49 49 GLY N N 15 110.627 0.15 . 1 . . . . 49 G N . 6926 1 487 . 1 1 50 50 LYS H H 1 8.124 0.05 . 1 . . . . 50 K H . 6926 1 488 . 1 1 50 50 LYS HA H 1 4.302 0.05 . 1 . . . . 50 K HA . 6926 1 489 . 1 1 50 50 LYS HB2 H 1 1.834 0.05 . 1 . . . . 50 K HB2 . 6926 1 490 . 1 1 50 50 LYS C C 13 176.932 0.15 . 1 . . . . 50 K C . 6926 1 491 . 1 1 50 50 LYS CA C 13 57.333 0.15 . 1 . . . . 50 K CA . 6926 1 492 . 1 1 50 50 LYS CB C 13 33.497 0.15 . 1 . . . . 50 K CB . 6926 1 493 . 1 1 50 50 LYS CG C 13 25.421 0.15 . 1 . . . . 50 K CG . 6926 1 494 . 1 1 50 50 LYS CD C 13 29.542 0.15 . 1 . . . . 50 K CD . 6926 1 495 . 1 1 50 50 LYS CE C 13 42.888 0.15 . 1 . . . . 50 K CE . 6926 1 496 . 1 1 50 50 LYS N N 15 120.037 0.15 . 1 . . . . 50 K N . 6926 1 497 . 1 1 51 51 LYS H H 1 8.089 0.05 . 1 . . . . 51 K H . 6926 1 498 . 1 1 51 51 LYS HA H 1 4.325 0.05 . 1 . . . . 51 K HA . 6926 1 499 . 1 1 51 51 LYS HB2 H 1 1.882 0.05 . 1 . . . . 51 K HB2 . 6926 1 500 . 1 1 51 51 LYS C C 13 177.169 0.15 . 1 . . . . 51 K C . 6926 1 501 . 1 1 51 51 LYS CA C 13 57.251 0.15 . 1 . . . . 51 K CA . 6926 1 502 . 1 1 51 51 LYS CB C 13 33.293 0.15 . 1 . . . . 51 K CB . 6926 1 503 . 1 1 51 51 LYS CG C 13 25.433 0.15 . 1 . . . . 51 K CG . 6926 1 504 . 1 1 51 51 LYS CD C 13 29.546 0.15 . 1 . . . . 51 K CD . 6926 1 505 . 1 1 51 51 LYS CE C 13 42.837 0.15 . 1 . . . . 51 K CE . 6926 1 506 . 1 1 51 51 LYS N N 15 120.805 0.15 . 1 . . . . 51 K N . 6926 1 507 . 1 1 52 52 GLY H H 1 8.304 0.05 . 1 . . . . 52 G H . 6926 1 508 . 1 1 52 52 GLY HA2 H 1 4.005 0.05 . 1 . . . . 52 G HA2 . 6926 1 509 . 1 1 52 52 GLY C C 13 174.545 0.15 . 1 . . . . 52 G C . 6926 1 510 . 1 1 52 52 GLY CA C 13 46.250 0.15 . 1 . . . . 52 G CA . 6926 1 511 . 1 1 52 52 GLY N N 15 109.109 0.15 . 1 . . . . 52 G N . 6926 1 512 . 1 1 53 53 GLY H H 1 8.201 0.05 . 1 . . . . 53 G H . 6926 1 513 . 1 1 53 53 GLY HA2 H 1 4.051 0.05 . 1 . . . . 53 G HA2 . 6926 1 514 . 1 1 53 53 GLY C C 13 174.771 0.15 . 1 . . . . 53 G C . 6926 1 515 . 1 1 53 53 GLY CA C 13 46.204 0.15 . 1 . . . . 53 G CA . 6926 1 516 . 1 1 53 53 GLY N N 15 108.474 0.15 . 1 . . . . 53 G N . 6926 1 517 . 1 1 54 54 THR H H 1 8.115 0.05 . 1 . . . . 54 T H . 6926 1 518 . 1 1 54 54 THR HA H 1 4.442 0.05 . 1 . . . . 54 T HA . 6926 1 519 . 1 1 54 54 THR HG21 H 1 1.267 0.05 . 1 . . . . 54 T QG2 . 6926 1 520 . 1 1 54 54 THR HG22 H 1 1.267 0.05 . 1 . . . . 54 T QG2 . 6926 1 521 . 1 1 54 54 THR HG23 H 1 1.267 0.05 . 1 . . . . 54 T QG2 . 6926 1 522 . 1 1 54 54 THR C C 13 175.190 0.15 . 1 . . . . 54 T C . 6926 1 523 . 1 1 54 54 THR CA C 13 62.904 0.15 . 1 . . . . 54 T CA . 6926 1 524 . 1 1 54 54 THR CB C 13 70.261 0.15 . 1 . . . . 54 T CB . 6926 1 525 . 1 1 54 54 THR N N 15 113.386 0.15 . 1 . . . . 54 T N . 6926 1 526 . 1 1 55 55 THR H H 1 8.158 0.05 . 1 . . . . 55 T H . 6926 1 527 . 1 1 55 55 THR HA H 1 4.452 0.05 . 1 . . . . 55 T HA . 6926 1 528 . 1 1 55 55 THR HG21 H 1 1.260 0.05 . 1 . . . . 55 T QG2 . 6926 1 529 . 1 1 55 55 THR HG22 H 1 1.260 0.05 . 1 . . . . 55 T QG2 . 6926 1 530 . 1 1 55 55 THR HG23 H 1 1.260 0.05 . 1 . . . . 55 T QG2 . 6926 1 531 . 1 1 55 55 THR C C 13 175.050 0.15 . 1 . . . . 55 T C . 6926 1 532 . 1 1 55 55 THR CA C 13 62.740 0.15 . 1 . . . . 55 T CA . 6926 1 533 . 1 1 55 55 THR CB C 13 70.171 0.15 . 1 . . . . 55 T CB . 6926 1 534 . 1 1 55 55 THR CG2 C 13 22.318 0.15 . 1 . . . . 55 T CG2 . 6926 1 535 . 1 1 55 55 THR N N 15 114.825 0.15 . 1 . . . . 55 T N . 6926 1 536 . 1 1 56 56 SER H H 1 8.233 0.05 . 1 . . . . 56 S H . 6926 1 537 . 1 1 56 56 SER HA H 1 4.484 0.05 . 1 . . . . 56 S HA . 6926 1 538 . 1 1 56 56 SER HB2 H 1 3.949 0.05 . 1 . . . . 56 S HB2 . 6926 1 539 . 1 1 56 56 SER C C 13 175.314 0.15 . 1 . . . . 56 S C . 6926 1 540 . 1 1 56 56 SER CA C 13 59.419 0.15 . 1 . . . . 56 S CA . 6926 1 541 . 1 1 56 56 SER CB C 13 64.576 0.15 . 1 . . . . 56 S CB . 6926 1 542 . 1 1 56 56 SER N N 15 117.144 0.15 . 1 . . . . 56 S N . 6926 1 543 . 1 1 57 57 GLY H H 1 8.340 0.05 . 1 . . . . 57 G H . 6926 1 544 . 1 1 57 57 GLY HA2 H 1 4.043 0.05 . 1 . . . . 57 G HA2 . 6926 1 545 . 1 1 57 57 GLY C C 13 176.801 0.15 . 1 . . . . 57 G C . 6926 1 546 . 1 1 57 57 GLY CA C 13 45.927 0.15 . 1 . . . . 57 G CA . 6926 1 547 . 1 1 57 57 GLY N N 15 110.613 0.15 . 1 . . . . 57 G N . 6926 1 548 . 1 1 58 58 LYS H H 1 8.125 0.05 . 1 . . . . 58 K H . 6926 1 549 . 1 1 58 58 LYS HA H 1 4.313 0.05 . 1 . . . . 58 K HA . 6926 1 550 . 1 1 58 58 LYS HB2 H 1 1.880 0.05 . 1 . . . . 58 K HB2 . 6926 1 551 . 1 1 58 58 LYS HG2 H 1 1.479 0.05 . 1 . . . . 58 K HG2 . 6926 1 552 . 1 1 58 58 LYS HD2 H 1 1.713 0.05 . 1 . . . . 58 K HD2 . 6926 1 553 . 1 1 58 58 LYS HE2 H 1 3.024 0.05 . 1 . . . . 58 K HE2 . 6926 1 554 . 1 1 58 58 LYS C C 13 176.220 0.15 . 1 . . . . 58 K C . 6926 1 555 . 1 1 58 58 LYS CA C 13 57.524 0.15 . 1 . . . . 58 K CA . 6926 1 556 . 1 1 58 58 LYS CB C 13 33.485 0.15 . 1 . . . . 58 K CB . 6926 1 557 . 1 1 58 58 LYS CG C 13 25.401 0.15 . 1 . . . . 58 K CG . 6926 1 558 . 1 1 58 58 LYS CD C 13 29.618 0.15 . 1 . . . . 58 K CD . 6926 1 559 . 1 1 58 58 LYS CE C 13 42.894 0.15 . 1 . . . . 58 K CE . 6926 1 560 . 1 1 58 58 LYS N N 15 120.526 0.15 . 1 . . . . 58 K N . 6926 1 561 . 1 1 59 59 LYS H H 1 8.227 0.05 . 1 . . . . 59 K H . 6926 1 562 . 1 1 59 59 LYS HA H 1 4.202 0.05 . 1 . . . . 59 K HA . 6926 1 563 . 1 1 59 59 LYS HB2 H 1 1.875 0.05 . 1 . . . . 59 K HB2 . 6926 1 564 . 1 1 59 59 LYS HG2 H 1 1.487 0.05 . 1 . . . . 59 K HG2 . 6926 1 565 . 1 1 59 59 LYS HD2 H 1 1.716 0.05 . 1 . . . . 59 K HD2 . 6926 1 566 . 1 1 59 59 LYS HE2 H 1 3.027 0.05 . 1 . . . . 59 K HE2 . 6926 1 567 . 1 1 59 59 LYS C C 13 177.075 0.15 . 1 . . . . 59 K C . 6926 1 568 . 1 1 59 59 LYS CA C 13 58.240 0.15 . 1 . . . . 59 K CA . 6926 1 569 . 1 1 59 59 LYS CB C 13 33.354 0.15 . 1 . . . . 59 K CB . 6926 1 570 . 1 1 59 59 LYS CG C 13 25.411 0.15 . 1 . . . . 59 K CG . 6926 1 571 . 1 1 59 59 LYS CD C 13 29.666 0.15 . 1 . . . . 59 K CD . 6926 1 572 . 1 1 59 59 LYS CE C 13 42.803 0.15 . 1 . . . . 59 K CE . 6926 1 573 . 1 1 59 59 LYS N N 15 121.098 0.15 . 1 . . . . 59 K N . 6926 1 574 . 1 1 60 60 GLY H H 1 8.337 0.05 . 1 . . . . 60 G H . 6926 1 575 . 1 1 60 60 GLY HA2 H 1 4.047 0.05 . 1 . . . . 60 G HA2 . 6926 1 576 . 1 1 60 60 GLY C C 13 174.631 0.15 . 1 . . . . 60 G C . 6926 1 577 . 1 1 60 60 GLY CA C 13 46.282 0.15 . 1 . . . . 60 G CA . 6926 1 578 . 1 1 60 60 GLY N N 15 109.436 0.15 . 1 . . . . 60 G N . 6926 1 579 . 1 1 61 61 THR H H 1 7.947 0.05 . 1 . . . . 61 T H . 6926 1 580 . 1 1 61 61 THR HA H 1 4.396 0.05 . 1 . . . . 61 T HA . 6926 1 581 . 1 1 61 61 THR HB H 1 4.284 0.05 . 1 . . . . 61 T HB . 6926 1 582 . 1 1 61 61 THR HG21 H 1 1.234 0.05 . 1 . . . . 61 T QG2 . 6926 1 583 . 1 1 61 61 THR HG22 H 1 1.234 0.05 . 1 . . . . 61 T QG2 . 6926 1 584 . 1 1 61 61 THR HG23 H 1 1.234 0.05 . 1 . . . . 61 T QG2 . 6926 1 585 . 1 1 61 61 THR C C 13 174.470 0.15 . 1 . . . . 61 T C . 6926 1 586 . 1 1 61 61 THR CA C 13 62.795 0.15 . 1 . . . . 61 T CA . 6926 1 587 . 1 1 61 61 THR CB C 13 70.637 0.15 . 1 . . . . 61 T CB . 6926 1 588 . 1 1 61 61 THR CG2 C 13 22.206 0.15 . 1 . . . . 61 T CG2 . 6926 1 589 . 1 1 61 61 THR N N 15 112.095 0.15 . 1 . . . . 61 T N . 6926 1 590 . 1 1 62 62 VAL H H 1 7.788 0.05 . 1 . . . . 62 V H . 6926 1 591 . 1 1 62 62 VAL HA H 1 4.243 0.05 . 1 . . . . 62 V HA . 6926 1 592 . 1 1 62 62 VAL HB H 1 2.125 0.05 . 1 . . . . 62 V HB . 6926 1 593 . 1 1 62 62 VAL HG11 H 1 0.975 0.05 . 1 . . . . 62 V QG1 . 6926 1 594 . 1 1 62 62 VAL HG12 H 1 0.975 0.05 . 1 . . . . 62 V QG1 . 6926 1 595 . 1 1 62 62 VAL HG13 H 1 0.975 0.05 . 1 . . . . 62 V QG1 . 6926 1 596 . 1 1 62 62 VAL CA C 13 62.733 0.15 . 1 . . . . 62 V CA . 6926 1 597 . 1 1 62 62 VAL CB C 13 33.693 0.15 . 1 . . . . 62 V CB . 6926 1 598 . 1 1 62 62 VAL CG1 C 13 21.869 0.15 . 1 . . . . 62 V CG1 . 6926 1 599 . 1 1 62 62 VAL N N 15 120.973 0.15 . 1 . . . . 62 V N . 6926 1 600 . 1 1 63 63 SER H H 1 8.052 0.05 . 1 . . . . 63 S H . 6926 1 601 . 1 1 63 63 SER HA H 1 4.665 0.05 . 1 . . . . 63 S HA . 6926 1 602 . 1 1 63 63 SER HB2 H 1 3.805 0.05 . 1 . . . . 63 S HB2 . 6926 1 603 . 1 1 63 63 SER HB3 H 1 3.823 0.05 . 1 . . . . 63 S HB3 . 6926 1 604 . 1 1 63 63 SER CA C 13 57.747 0.15 . 1 . . . . 63 S CA . 6926 1 605 . 1 1 63 63 SER CB C 13 64.991 0.15 . 1 . . . . 63 S CB . 6926 1 606 . 1 1 63 63 SER N N 15 119.427 0.15 . 1 . . . . 63 S N . 6926 1 607 . 1 1 64 64 ILE H H 1 8.191 0.05 . 1 . . . . 64 I H . 6926 1 608 . 1 1 64 64 ILE HA H 1 4.313 0.05 . 1 . . . . 64 I HA . 6926 1 609 . 1 1 64 64 ILE HB H 1 1.949 0.05 . 1 . . . . 64 I HB . 6926 1 610 . 1 1 64 64 ILE HG12 H 1 1.673 0.05 . 1 . . . . 64 I HG12 . 6926 1 611 . 1 1 64 64 ILE HG21 H 1 1.015 0.05 . 1 . . . . 64 I QG2 . 6926 1 612 . 1 1 64 64 ILE HG22 H 1 1.015 0.05 . 1 . . . . 64 I QG2 . 6926 1 613 . 1 1 64 64 ILE HG23 H 1 1.015 0.05 . 1 . . . . 64 I QG2 . 6926 1 614 . 1 1 64 64 ILE HD11 H 1 0.905 0.05 . 1 . . . . 64 I QD1 . 6926 1 615 . 1 1 64 64 ILE HD12 H 1 0.905 0.05 . 1 . . . . 64 I QD1 . 6926 1 616 . 1 1 64 64 ILE HD13 H 1 0.905 0.05 . 1 . . . . 64 I QD1 . 6926 1 617 . 1 1 64 64 ILE CA C 13 59.873 0.15 . 1 . . . . 64 I CA . 6926 1 618 . 1 1 64 64 ILE CB C 13 38.818 0.15 . 1 . . . . 64 I CB . 6926 1 619 . 1 1 64 64 ILE CG2 C 13 17.939 0.15 . 1 . . . . 64 I CG2 . 6926 1 620 . 1 1 64 64 ILE CD1 C 13 13.490 0.15 . 1 . . . . 64 I CD1 . 6926 1 621 . 1 1 64 64 ILE N N 15 122.947 0.15 . 1 . . . . 64 I N . 6926 1 622 . 1 1 65 65 PRO HA H 1 4.466 0.05 . 1 . . . . 65 P HA . 6926 1 623 . 1 1 65 65 PRO HB2 H 1 1.956 0.05 . 2 . . . . 65 P HB2 . 6926 1 624 . 1 1 65 65 PRO HB3 H 1 2.371 0.05 . 2 . . . . 65 P HB3 . 6926 1 625 . 1 1 65 65 PRO HG2 H 1 2.039 0.05 . 1 . . . . 65 P HG2 . 6926 1 626 . 1 1 65 65 PRO HD2 H 1 3.623 0.05 . 2 . . . . 65 P HD2 . 6926 1 627 . 1 1 65 65 PRO HD3 H 1 3.984 0.05 . 2 . . . . 65 P HD3 . 6926 1 628 . 1 1 65 65 PRO CA C 13 64.303 0.15 . 1 . . . . 65 P CA . 6926 1 629 . 1 1 65 65 PRO CB C 13 32.672 0.15 . 1 . . . . 65 P CB . 6926 1 630 . 1 1 65 65 PRO CG C 13 28.192 0.15 . 1 . . . . 65 P CG . 6926 1 631 . 1 1 65 65 PRO CD C 13 51.473 0.15 . 1 . . . . 65 P CD . 6926 1 632 . 1 1 66 66 SER H H 1 8.002 0.05 . 1 . . . . 66 S H . 6926 1 633 . 1 1 66 66 SER HA H 1 4.498 0.05 . 1 . . . . 66 S HA . 6926 1 634 . 1 1 66 66 SER HB2 H 1 3.895 0.05 . 1 . . . . 66 S HB2 . 6926 1 635 . 1 1 66 66 SER CA C 13 58.702 0.15 . 1 . . . . 66 S CA . 6926 1 636 . 1 1 66 66 SER CB C 13 64.819 0.15 . 1 . . . . 66 S CB . 6926 1 637 . 1 1 66 66 SER N N 15 112.889 0.15 . 1 . . . . 66 S N . 6926 1 638 . 1 1 67 67 LYS H H 1 8.137 0.05 . 1 . . . . 67 K H . 6926 1 639 . 1 1 67 67 LYS HA H 1 4.347 0.05 . 1 . . . . 67 K HA . 6926 1 640 . 1 1 67 67 LYS HB2 H 1 1.847 0.05 . 1 . . . . 67 K HB2 . 6926 1 641 . 1 1 67 67 LYS C C 13 176.555 0.15 . 1 . . . . 67 K C . 6926 1 642 . 1 1 67 67 LYS CA C 13 57.061 0.15 . 1 . . . . 67 K CA . 6926 1 643 . 1 1 67 67 LYS CB C 13 33.669 0.15 . 1 . . . . 67 K CB . 6926 1 644 . 1 1 67 67 LYS CG C 13 25.405 0.15 . 1 . . . . 67 K CG . 6926 1 645 . 1 1 67 67 LYS CD C 13 29.528 0.15 . 1 . . . . 67 K CD . 6926 1 646 . 1 1 67 67 LYS CE C 13 42.824 0.15 . 1 . . . . 67 K CE . 6926 1 647 . 1 1 67 67 LYS N N 15 122.114 0.15 . 1 . . . . 67 K N . 6926 1 648 . 1 1 68 68 LYS H H 1 8.118 0.05 . 1 . . . . 68 K H . 6926 1 649 . 1 1 68 68 LYS HA H 1 4.322 0.05 . 1 . . . . 68 K HA . 6926 1 650 . 1 1 68 68 LYS HB2 H 1 1.858 0.05 . 1 . . . . 68 K HB2 . 6926 1 651 . 1 1 68 68 LYS C C 13 176.446 0.15 . 1 . . . . 68 K C . 6926 1 652 . 1 1 68 68 LYS CA C 13 57.043 0.15 . 1 . . . . 68 K CA . 6926 1 653 . 1 1 68 68 LYS CB C 13 33.531 0.15 . 1 . . . . 68 K CB . 6926 1 654 . 1 1 68 68 LYS CG C 13 25.272 0.15 . 1 . . . . 68 K CG . 6926 1 655 . 1 1 68 68 LYS CD C 13 29.598 0.15 . 1 . . . . 68 K CD . 6926 1 656 . 1 1 68 68 LYS CE C 13 42.930 0.15 . 1 . . . . 68 K CE . 6926 1 657 . 1 1 68 68 LYS N N 15 121.435 0.15 . 1 . . . . 68 K N . 6926 1 658 . 1 1 69 69 LYS H H 1 8.394 0.05 . 1 . . . . 69 K H . 6926 1 659 . 1 1 69 69 LYS HA H 1 4.351 0.05 . 1 . . . . 69 K HA . 6926 1 660 . 1 1 69 69 LYS HB2 H 1 1.821 0.05 . 1 . . . . 69 K HB2 . 6926 1 661 . 1 1 69 69 LYS HG2 H 1 1.457 0.05 . 1 . . . . 69 K HG2 . 6926 1 662 . 1 1 69 69 LYS HD2 H 1 1.741 0.05 . 1 . . . . 69 K HD2 . 6926 1 663 . 1 1 69 69 LYS C C 13 175.623 0.15 . 1 . . . . 69 K C . 6926 1 664 . 1 1 69 69 LYS CA C 13 56.762 0.15 . 1 . . . . 69 K CA . 6926 1 665 . 1 1 69 69 LYS CB C 13 33.782 0.15 . 1 . . . . 69 K CB . 6926 1 666 . 1 1 69 69 LYS CG C 13 25.336 0.15 . 1 . . . . 69 K CG . 6926 1 667 . 1 1 69 69 LYS CD C 13 29.580 0.15 . 1 . . . . 69 K CD . 6926 1 668 . 1 1 69 69 LYS CE C 13 42.898 0.15 . 1 . . . . 69 K CE . 6926 1 669 . 1 1 69 69 LYS N N 15 121.052 0.15 . 1 . . . . 69 K N . 6926 1 670 . 1 1 70 70 ASN H H 1 8.014 0.05 . 1 . . . . 70 N H . 6926 1 671 . 1 1 70 70 ASN HA H 1 4.515 0.05 . 1 . . . . 70 N HA . 6926 1 672 . 1 1 70 70 ASN HB2 H 1 2.829 0.05 . 2 . . . . 70 N HB2 . 6926 1 673 . 1 1 70 70 ASN HB3 H 1 2.737 0.05 . 2 . . . . 70 N HB3 . 6926 1 674 . 1 1 70 70 ASN HD21 H 1 7.590 0.05 . 1 . . . . 70 N HD21 . 6926 1 675 . 1 1 70 70 ASN CA C 13 55.331 0.15 . 1 . . . . 70 N CA . 6926 1 676 . 1 1 70 70 ASN CB C 13 41.478 0.15 . 1 . . . . 70 N CB . 6926 1 677 . 1 1 70 70 ASN N N 15 125.005 0.15 . 1 . . . . 70 N N . 6926 1 678 . 1 1 70 70 ASN ND2 N 15 113.101 0.15 . 1 . . . . 70 N ND2 . 6926 1 679 . 1 1 71 71 GLY H H 1 8.255 0.05 . 1 . . . . 71 G H . 6926 1 680 . 1 1 71 71 GLY HA2 H 1 3.986 0.05 . 1 . . . . 71 G HA2 . 6926 1 681 . 1 1 71 71 GLY C C 13 174.458 0.15 . 1 . . . . 71 G C . 6926 1 682 . 1 1 71 71 GLY CA C 13 46.110 0.15 . 1 . . . . 71 G CA . 6926 1 683 . 1 1 71 71 GLY N N 15 114.247 0.15 . 1 . . . . 71 G N . 6926 1 684 . 1 1 72 72 ASN H H 1 8.462 0.05 . 1 . . . . 72 N H . 6926 1 685 . 1 1 72 72 ASN HA H 1 4.796 0.05 . 1 . . . . 72 N HA . 6926 1 686 . 1 1 72 72 ASN HB2 H 1 2.845 0.05 . 1 . . . . 72 N HB2 . 6926 1 687 . 1 1 72 72 ASN HD21 H 1 6.922 0.05 . 2 . . . . 72 N HD21 . 6926 1 688 . 1 1 72 72 ASN HD22 H 1 7.589 0.05 . 2 . . . . 72 N HD22 . 6926 1 689 . 1 1 72 72 ASN C C 13 175.757 0.15 . 1 . . . . 72 N C . 6926 1 690 . 1 1 72 72 ASN CA C 13 53.882 0.15 . 1 . . . . 72 N CA . 6926 1 691 . 1 1 72 72 ASN CB C 13 39.885 0.15 . 1 . . . . 72 N CB . 6926 1 692 . 1 1 72 72 ASN N N 15 118.314 0.15 . 1 . . . . 72 N N . 6926 1 693 . 1 1 72 72 ASN ND2 N 15 112.997 0.15 . 1 . . . . 72 N ND2 . 6926 1 694 . 1 1 73 73 GLY H H 1 8.469 0.05 . 1 . . . . 73 G H . 6926 1 695 . 1 1 73 73 GLY HA2 H 1 3.968 0.05 . 1 . . . . 73 G HA2 . 6926 1 696 . 1 1 73 73 GLY C C 13 174.791 0.15 . 1 . . . . 73 G C . 6926 1 697 . 1 1 73 73 GLY CA C 13 46.247 0.15 . 1 . . . . 73 G CA . 6926 1 698 . 1 1 73 73 GLY N N 15 109.019 0.15 . 1 . . . . 73 G N . 6926 1 699 . 1 1 74 74 GLY H H 1 7.946 0.05 . 1 . . . . 74 G H . 6926 1 700 . 1 1 74 74 GLY HA2 H 1 4.112 0.05 . 2 . . . . 74 G HA2 . 6926 1 701 . 1 1 74 74 GLY HA3 H 1 4.177 0.05 . 2 . . . . 74 G HA3 . 6926 1 702 . 1 1 74 74 GLY C C 13 175.399 0.15 . 1 . . . . 74 G C . 6926 1 703 . 1 1 74 74 GLY CA C 13 45.825 0.15 . 1 . . . . 74 G CA . 6926 1 704 . 1 1 74 74 GLY N N 15 108.672 0.15 . 1 . . . . 74 G N . 6926 1 705 . 1 1 75 75 VAL H H 1 8.168 0.05 . 1 . . . . 75 V H . 6926 1 706 . 1 1 75 75 VAL HA H 1 3.881 0.05 . 1 . . . . 75 V HA . 6926 1 707 . 1 1 75 75 VAL HB H 1 1.899 0.05 . 1 . . . . 75 V HB . 6926 1 708 . 1 1 75 75 VAL HG11 H 1 0.607 0.05 . 2 . . . . 75 V QG1 . 6926 1 709 . 1 1 75 75 VAL HG12 H 1 0.607 0.05 . 2 . . . . 75 V QG1 . 6926 1 710 . 1 1 75 75 VAL HG13 H 1 0.607 0.05 . 2 . . . . 75 V QG1 . 6926 1 711 . 1 1 75 75 VAL HG21 H 1 0.795 0.05 . 2 . . . . 75 V QG2 . 6926 1 712 . 1 1 75 75 VAL HG22 H 1 0.795 0.05 . 2 . . . . 75 V QG2 . 6926 1 713 . 1 1 75 75 VAL HG23 H 1 0.795 0.05 . 2 . . . . 75 V QG2 . 6926 1 714 . 1 1 75 75 VAL C C 13 176.466 0.15 . 1 . . . . 75 V C . 6926 1 715 . 1 1 75 75 VAL CA C 13 64.845 0.15 . 1 . . . . 75 V CA . 6926 1 716 . 1 1 75 75 VAL CB C 13 32.811 0.15 . 1 . . . . 75 V CB . 6926 1 717 . 1 1 75 75 VAL CG1 C 13 21.524 0.15 . 2 . . . . 75 V CG1 . 6926 1 718 . 1 1 75 75 VAL CG2 C 13 21.615 0.15 . 2 . . . . 75 V CG2 . 6926 1 719 . 1 1 75 75 VAL N N 15 119.832 0.15 . 1 . . . . 75 V N . 6926 1 720 . 1 1 76 76 PHE H H 1 8.138 0.05 . 1 . . . . 76 F H . 6926 1 721 . 1 1 76 76 PHE HA H 1 4.664 0.05 . 1 . . . . 76 F HA . 6926 1 722 . 1 1 76 76 PHE HB2 H 1 3.141 0.05 . 1 . . . . 76 F HB2 . 6926 1 723 . 1 1 76 76 PHE HB3 H 1 3.390 0.05 . 1 . . . . 76 F HB3 . 6926 1 724 . 1 1 76 76 PHE HD1 H 1 7.321 0.05 . 4 . . . . 76 F QD . 6926 1 725 . 1 1 76 76 PHE HD2 H 1 7.321 0.05 . 4 . . . . 76 F QD . 6926 1 726 . 1 1 76 76 PHE HE1 H 1 7.236 0.05 . 4 . . . . 76 F QE . 6926 1 727 . 1 1 76 76 PHE HE2 H 1 7.236 0.05 . 4 . . . . 76 F QE . 6926 1 728 . 1 1 76 76 PHE HZ H 1 7.122 0.05 . 4 . . . . 76 F HZ . 6926 1 729 . 1 1 76 76 PHE C C 13 176.775 0.15 . 1 . . . . 76 F C . 6926 1 730 . 1 1 76 76 PHE CA C 13 58.810 0.15 . 1 . . . . 76 F CA . 6926 1 731 . 1 1 76 76 PHE CB C 13 39.177 0.15 . 1 . . . . 76 F CB . 6926 1 732 . 1 1 76 76 PHE N N 15 118.007 0.15 . 1 . . . . 76 F N . 6926 1 733 . 1 1 77 77 GLY H H 1 8.080 0.05 . 1 . . . . 77 G H . 6926 1 734 . 1 1 77 77 GLY HA2 H 1 3.948 0.05 . 1 . . . . 77 G HA2 . 6926 1 735 . 1 1 77 77 GLY C C 13 175.581 0.15 . 1 . . . . 77 G C . 6926 1 736 . 1 1 77 77 GLY CA C 13 47.292 0.15 . 1 . . . . 77 G CA . 6926 1 737 . 1 1 77 77 GLY N N 15 107.115 0.15 . 1 . . . . 77 G N . 6926 1 738 . 1 1 78 78 GLY H H 1 8.136 0.05 . 1 . . . . 78 G H . 6926 1 739 . 1 1 78 78 GLY HA2 H 1 4.011 0.05 . 1 . . . . 78 G HA2 . 6926 1 740 . 1 1 78 78 GLY C C 13 175.337 0.15 . 1 . . . . 78 G C . 6926 1 741 . 1 1 78 78 GLY CA C 13 46.315 0.15 . 1 . . . . 78 G CA . 6926 1 742 . 1 1 78 78 GLY N N 15 108.462 0.15 . 1 . . . . 78 G N . 6926 1 743 . 1 1 79 79 LEU H H 1 7.641 0.05 . 1 . . . . 79 L H . 6926 1 744 . 1 1 79 79 LEU HA H 1 4.022 0.05 . 1 . . . . 79 L HA . 6926 1 745 . 1 1 79 79 LEU HB2 H 1 1.174 0.05 . 2 . . . . 79 L HB2 . 6926 1 746 . 1 1 79 79 LEU HB3 H 1 1.562 0.05 . 2 . . . . 79 L HB3 . 6926 1 747 . 1 1 79 79 LEU HD11 H 1 0.717 0.05 . 2 . . . . 79 L QD1 . 6926 1 748 . 1 1 79 79 LEU HD12 H 1 0.717 0.05 . 2 . . . . 79 L QD1 . 6926 1 749 . 1 1 79 79 LEU HD13 H 1 0.717 0.05 . 2 . . . . 79 L QD1 . 6926 1 750 . 1 1 79 79 LEU HD21 H 1 0.837 0.05 . 2 . . . . 79 L QD2 . 6926 1 751 . 1 1 79 79 LEU HD22 H 1 0.837 0.05 . 2 . . . . 79 L QD2 . 6926 1 752 . 1 1 79 79 LEU HD23 H 1 0.837 0.05 . 2 . . . . 79 L QD2 . 6926 1 753 . 1 1 79 79 LEU C C 13 177.256 0.15 . 1 . . . . 79 L C . 6926 1 754 . 1 1 79 79 LEU CA C 13 57.813 0.15 . 1 . . . . 79 L CA . 6926 1 755 . 1 1 79 79 LEU CB C 13 43.316 0.15 . 1 . . . . 79 L CB . 6926 1 756 . 1 1 79 79 LEU CG C 13 27.403 0.15 . 1 . . . . 79 L CG . 6926 1 757 . 1 1 79 79 LEU CD1 C 13 24.982 0.15 . 2 . . . . 79 L CD1 . 6926 1 758 . 1 1 79 79 LEU CD2 C 13 25.345 0.15 . 2 . . . . 79 L CD2 . 6926 1 759 . 1 1 79 79 LEU N N 15 121.664 0.15 . 1 . . . . 79 L N . 6926 1 760 . 1 1 80 80 PHE H H 1 7.944 0.05 . 1 . . . . 80 F H . 6926 1 761 . 1 1 80 80 PHE HA H 1 4.633 0.05 . 1 . . . . 80 F HA . 6926 1 762 . 1 1 80 80 PHE HB2 H 1 2.942 0.05 . 2 . . . . 80 F HB2 . 6926 1 763 . 1 1 80 80 PHE HB3 H 1 3.332 0.05 . 2 . . . . 80 F HB3 . 6926 1 764 . 1 1 80 80 PHE HD1 H 1 7.282 0.05 . 4 . . . . 80 F QD . 6926 1 765 . 1 1 80 80 PHE HD2 H 1 7.282 0.05 . 4 . . . . 80 F QD . 6926 1 766 . 1 1 80 80 PHE HE1 H 1 7.142 0.05 . 4 . . . . 80 F QE . 6926 1 767 . 1 1 80 80 PHE HE2 H 1 7.142 0.05 . 4 . . . . 80 F QE . 6926 1 768 . 1 1 80 80 PHE C C 13 175.433 0.15 . 1 . . . . 80 F C . 6926 1 769 . 1 1 80 80 PHE CA C 13 58.208 0.15 . 1 . . . . 80 F CA . 6926 1 770 . 1 1 80 80 PHE CB C 13 39.615 0.15 . 1 . . . . 80 F CB . 6926 1 771 . 1 1 80 80 PHE N N 15 114.796 0.15 . 1 . . . . 80 F N . 6926 1 772 . 1 1 81 81 ALA H H 1 7.611 0.05 . 1 . . . . 81 A H . 6926 1 773 . 1 1 81 81 ALA HA H 1 4.364 0.05 . 1 . . . . 81 A HA . 6926 1 774 . 1 1 81 81 ALA HB1 H 1 1.418 0.05 . 1 . . . . 81 A QB . 6926 1 775 . 1 1 81 81 ALA HB2 H 1 1.418 0.05 . 1 . . . . 81 A QB . 6926 1 776 . 1 1 81 81 ALA HB3 H 1 1.418 0.05 . 1 . . . . 81 A QB . 6926 1 777 . 1 1 81 81 ALA C C 13 177.568 0.15 . 1 . . . . 81 A C . 6926 1 778 . 1 1 81 81 ALA CA C 13 52.989 0.15 . 1 . . . . 81 A CA . 6926 1 779 . 1 1 81 81 ALA CB C 13 19.902 0.15 . 1 . . . . 81 A CB . 6926 1 780 . 1 1 81 81 ALA N N 15 122.618 0.15 . 1 . . . . 81 A N . 6926 1 781 . 1 1 82 82 LYS H H 1 8.155 0.05 . 1 . . . . 82 K H . 6926 1 782 . 1 1 82 82 LYS HA H 1 4.313 0.05 . 1 . . . . 82 K HA . 6926 1 783 . 1 1 82 82 LYS HB2 H 1 1.876 0.05 . 1 . . . . 82 K HB2 . 6926 1 784 . 1 1 82 82 LYS C C 13 176.941 0.15 . 1 . . . . 82 K C . 6926 1 785 . 1 1 82 82 LYS CA C 13 57.023 0.15 . 1 . . . . 82 K CA . 6926 1 786 . 1 1 82 82 LYS CB C 13 33.299 0.15 . 1 . . . . 82 K CB . 6926 1 787 . 1 1 82 82 LYS CG C 13 25.422 0.15 . 1 . . . . 82 K CG . 6926 1 788 . 1 1 82 82 LYS CD C 13 29.576 0.15 . 1 . . . . 82 K CD . 6926 1 789 . 1 1 82 82 LYS N N 15 120.345 0.15 . 1 . . . . 82 K N . 6926 1 790 . 1 1 83 83 LYS H H 1 8.256 0.05 . 1 . . . . 83 K H . 6926 1 791 . 1 1 83 83 LYS HA H 1 4.378 0.05 . 1 . . . . 83 K HA . 6926 1 792 . 1 1 83 83 LYS HB2 H 1 1.836 0.05 . 2 . . . . 83 K HB2 . 6926 1 793 . 1 1 83 83 LYS HB3 H 1 1.901 0.05 . 2 . . . . 83 K HB3 . 6926 1 794 . 1 1 83 83 LYS CA C 13 56.618 0.15 . 1 . . . . 83 K CA . 6926 1 795 . 1 1 83 83 LYS CB C 13 33.767 0.15 . 1 . . . . 83 K CB . 6926 1 796 . 1 1 83 83 LYS CG C 13 25.157 0.15 . 1 . . . . 83 K CG . 6926 1 797 . 1 1 83 83 LYS CD C 13 29.536 0.15 . 1 . . . . 83 K CD . 6926 1 798 . 1 1 83 83 LYS CE C 13 42.971 0.15 . 1 . . . . 83 K CE . 6926 1 799 . 1 1 83 83 LYS N N 15 122.901 0.15 . 1 . . . . 83 K N . 6926 1 800 . 1 1 84 84 ASP H H 1 7.972 0.05 . 1 . . . . 84 D H . 6926 1 801 . 1 1 84 84 ASP CA C 13 56.561 0.15 . 1 . . . . 84 D CA . 6926 1 802 . 1 1 84 84 ASP CB C 13 42.958 0.15 . 1 . . . . 84 D CB . 6926 1 803 . 1 1 84 84 ASP N N 15 126.947 0.15 . 1 . . . . 84 D N . 6926 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 1 127 6926 1 1 128 6926 1 2 160 6926 1 2 162 6926 1 3 295 6926 1 3 296 6926 1 3 297 6926 1 3 298 6926 1 4 724 6926 1 4 725 6926 1 4 726 6926 1 4 727 6926 1 4 728 6926 1 5 764 6926 1 5 765 6926 1 5 766 6926 1 5 767 6926 1 stop_ save_