data_6805 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6805 _Entry.Title ; Letter to the Editor: NMR assignments of the free and bound-state components of an anti-idiotypic affibody complex ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-09-01 _Entry.Accession_date 2005-09-01 _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 Jakob Dogan . . . 6805 2 Christofer Lendel . . . 6805 3 Torleif Hard . . . 6805 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6805 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 247 6805 '15N chemical shifts' 66 6805 '1H chemical shifts' 434 6805 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 . . 2007-02-07 2005-09-01 update author 'complete entry citation' 6805 2 . . 2006-04-20 2005-09-01 update author 'update the protein names, etc.' 6805 1 . . 2006-03-10 2005-09-01 original author 'original release' 6805 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2B89 'BMRB Entry Tracking System' 6805 . 6804 Ztaq 6805 . 6806 Ztaq:anti-Ztaq 6805 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6805 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16456703 _Citation.Full_citation . _Citation.Title ; NMR Assignments of the Free and Bound-state Protein Components of an Anti-idiotypic Affibody Complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _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 13 _Citation.Page_last 13 _Citation.Year 2006 _Citation.Details 'The first and second authors contributed equally to this publication' 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 Jakob Dogan . . . 6805 1 2 Christofer Lendel . . . 6805 1 3 Torleif Hard . . . 6805 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6805 _Assembly.ID 1 _Assembly.Name anti-Ztaq _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 6419.3 _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 anti-Ztaq 1 $anti-Ztaq . . yes native yes no . . . 6805 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_anti-Ztaq _Entity.Sf_category entity _Entity.Sf_framecode anti-Ztaq _Entity.Entry_ID 6805 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name anti-Ztaq _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details 'engineered protein' _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; VDNKFNKERVIAIGEIMRLP NLNSLQVVAFINSLRDDPSQ SANLLAEAKKLNDAQAPK ; _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 58 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 6419.3 _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 BMRB 6806 . anti-Ztaq . . . . . 100.00 58 100.00 100.00 3.15e-31 . . . . 6805 1 2 no PDB 2B87 . "Structural Basis For Molecular Recognition In An Affibody:affibody Complex" . . . . . 100.00 58 100.00 100.00 3.15e-31 . . . . 6805 1 3 no PDB 2B89 . "Structural Basis For Molecular Recognition In An Affibody:affibody Complex" . . . . . 100.00 58 100.00 100.00 3.15e-31 . . . . 6805 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID affibody 6805 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 . VAL . 6805 1 2 . ASP . 6805 1 3 . ASN . 6805 1 4 . LYS . 6805 1 5 . PHE . 6805 1 6 . ASN . 6805 1 7 . LYS . 6805 1 8 . GLU . 6805 1 9 . ARG . 6805 1 10 . VAL . 6805 1 11 . ILE . 6805 1 12 . ALA . 6805 1 13 . ILE . 6805 1 14 . GLY . 6805 1 15 . GLU . 6805 1 16 . ILE . 6805 1 17 . MET . 6805 1 18 . ARG . 6805 1 19 . LEU . 6805 1 20 . PRO . 6805 1 21 . ASN . 6805 1 22 . LEU . 6805 1 23 . ASN . 6805 1 24 . SER . 6805 1 25 . LEU . 6805 1 26 . GLN . 6805 1 27 . VAL . 6805 1 28 . VAL . 6805 1 29 . ALA . 6805 1 30 . PHE . 6805 1 31 . ILE . 6805 1 32 . ASN . 6805 1 33 . SER . 6805 1 34 . LEU . 6805 1 35 . ARG . 6805 1 36 . ASP . 6805 1 37 . ASP . 6805 1 38 . PRO . 6805 1 39 . SER . 6805 1 40 . GLN . 6805 1 41 . SER . 6805 1 42 . ALA . 6805 1 43 . ASN . 6805 1 44 . LEU . 6805 1 45 . LEU . 6805 1 46 . ALA . 6805 1 47 . GLU . 6805 1 48 . ALA . 6805 1 49 . LYS . 6805 1 50 . LYS . 6805 1 51 . LEU . 6805 1 52 . ASN . 6805 1 53 . ASP . 6805 1 54 . ALA . 6805 1 55 . GLN . 6805 1 56 . ALA . 6805 1 57 . PRO . 6805 1 58 . LYS . 6805 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 . VAL 1 1 6805 1 . ASP 2 2 6805 1 . ASN 3 3 6805 1 . LYS 4 4 6805 1 . PHE 5 5 6805 1 . ASN 6 6 6805 1 . LYS 7 7 6805 1 . GLU 8 8 6805 1 . ARG 9 9 6805 1 . VAL 10 10 6805 1 . ILE 11 11 6805 1 . ALA 12 12 6805 1 . ILE 13 13 6805 1 . GLY 14 14 6805 1 . GLU 15 15 6805 1 . ILE 16 16 6805 1 . MET 17 17 6805 1 . ARG 18 18 6805 1 . LEU 19 19 6805 1 . PRO 20 20 6805 1 . ASN 21 21 6805 1 . LEU 22 22 6805 1 . ASN 23 23 6805 1 . SER 24 24 6805 1 . LEU 25 25 6805 1 . GLN 26 26 6805 1 . VAL 27 27 6805 1 . VAL 28 28 6805 1 . ALA 29 29 6805 1 . PHE 30 30 6805 1 . ILE 31 31 6805 1 . ASN 32 32 6805 1 . SER 33 33 6805 1 . LEU 34 34 6805 1 . ARG 35 35 6805 1 . ASP 36 36 6805 1 . ASP 37 37 6805 1 . PRO 38 38 6805 1 . SER 39 39 6805 1 . GLN 40 40 6805 1 . SER 41 41 6805 1 . ALA 42 42 6805 1 . ASN 43 43 6805 1 . LEU 44 44 6805 1 . LEU 45 45 6805 1 . ALA 46 46 6805 1 . GLU 47 47 6805 1 . ALA 48 48 6805 1 . LYS 49 49 6805 1 . LYS 50 50 6805 1 . LEU 51 51 6805 1 . ASN 52 52 6805 1 . ASP 53 53 6805 1 . ALA 54 54 6805 1 . GLN 55 55 6805 1 . ALA 56 56 6805 1 . PRO 57 57 6805 1 . LYS 58 58 6805 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 6805 _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 $anti-Ztaq . . . no . . . . . . . . . . . . . . . . . . . . . . . . . . 'It is an engineered protein based on Staphylocoocal protein A.' . . 6805 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 6805 _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 $anti-Ztaq . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6805 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _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 anti-Ztaq '[U-13C; U-15N]' . . 1 $anti-Ztaq . protein 1.5 . . mM . . . . 6805 1 2 'Potassium Phosphate' . . . . . . buffer 20 . . mM . . . . 6805 1 3 'Sodium Chloride' . . . . . . salt 50 . . mM . . . . 6805 1 4 'Sodium Azide' . . . . . . . 0.01 . . % . . . . 6805 1 5 D2O . . . . . . . 10 . 100 '% v/v' . . . . 6805 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 6805 _Sample_condition_list.ID 1 _Sample_condition_list.Details '20mM KPi, 50mM NaCl, 0.01% NaN3, 10 vol% D2O, pH=6.4, T=298K' 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* 6.4 0.1 pH 6805 1 pressure 1 0 atm 6805 1 temperature 298 0.1 K 6805 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG_for_WINDOWS _Software.Sf_category software _Software.Sf_framecode ANSIG_for_WINDOWS _Software.Entry_ID 6805 _Software.ID 1 _Software.Name 'ANSIG for WINDOWS' _Software.Version . _Software.Details 'Data analysis and assignment' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID assignment 6805 1 'Data analysis' 6805 1 stop_ save_ save_BRUKER_XWIN-NMR _Software.Sf_category software _Software.Sf_framecode BRUKER_XWIN-NMR _Software.Entry_ID 6805 _Software.ID 2 _Software.Name XWIN-NMR _Software.Version . _Software.Details processing loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6805 2 stop_ save_ save_NMRPIPE _Software.Sf_category software _Software.Sf_framecode NMRPIPE _Software.Entry_ID 6805 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 6805 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz _NMR_spectrometer.Entry_ID 6805 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz _NMR_spectrometer.Entry_ID 6805 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer BRUKER _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_800MHz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 800MHz _NMR_spectrometer.Entry_ID 6805 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model INOVA _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 6805 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '1H-15N HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 2 '1H-13C HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 3 CBCA(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 4 CBCANH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 5 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 6 HN(CA)CO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 7 HCCH-COSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 8 HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 9 (H)CC(CO)NH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 10 '15N-NOESY HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 11 '15N-TOCSY HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 1 12 '13C-NOESY HSQC' no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6805 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 6805 _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 . . . . . . . . . 6805 1 H 1 H2O protons . . . . ppm 4.753 internal direct 1.0 . . . . . . . . . 6805 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6805 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 6805 _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 0.005 _Assigned_chem_shift_list.Chem_shift_13C_err 0.05 _Assigned_chem_shift_list.Chem_shift_15N_err 0.05 _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 6805 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 VAL HA H 1 3.77 0.005 . 1 . . . . 1 VAL HA . 6805 1 2 . 1 1 1 1 VAL HB H 1 2.18 0.005 . 1 . . . . 1 VAL HB . 6805 1 3 . 1 1 1 1 VAL HG11 H 1 1.01 0.005 . 1 . . . . 1 VAL HG1 . 6805 1 4 . 1 1 1 1 VAL HG12 H 1 1.01 0.005 . 1 . . . . 1 VAL HG1 . 6805 1 5 . 1 1 1 1 VAL HG13 H 1 1.01 0.005 . 1 . . . . 1 VAL HG1 . 6805 1 6 . 1 1 1 1 VAL HG21 H 1 1.01 0.005 . 1 . . . . 1 VAL HG2 . 6805 1 7 . 1 1 1 1 VAL HG22 H 1 1.01 0.005 . 1 . . . . 1 VAL HG2 . 6805 1 8 . 1 1 1 1 VAL HG23 H 1 1.01 0.005 . 1 . . . . 1 VAL HG2 . 6805 1 9 . 1 1 1 1 VAL CA C 13 61.3 0.05 . 1 . . . . 1 VAL CA . 6805 1 10 . 1 1 1 1 VAL CB C 13 32.9 0.05 . 1 . . . . 1 VAL CB . 6805 1 11 . 1 1 1 1 VAL CG1 C 13 20.5 0.05 . 1 . . . . 1 VAL CG1 . 6805 1 12 . 1 1 1 1 VAL CG2 C 13 19.8 0.05 . 1 . . . . 1 VAL CG2 . 6805 1 13 . 1 1 2 2 ASP HA H 1 4.70 0.005 . 1 . . . . 2 ASP HA . 6805 1 14 . 1 1 2 2 ASP HB2 H 1 2.71 0.005 . 2 . . . . 2 ASP HB2 . 6805 1 15 . 1 1 2 2 ASP HB3 H 1 2.64 0.005 . 2 . . . . 2 ASP HB3 . 6805 1 16 . 1 1 2 2 ASP C C 13 175.7 0.05 . 1 . . . . 2 ASP C . 6805 1 17 . 1 1 2 2 ASP CA C 13 54.2 0.05 . 1 . . . . 2 ASP CA . 6805 1 18 . 1 1 2 2 ASP CB C 13 41.5 0.05 . 1 . . . . 2 ASP CB . 6805 1 19 . 1 1 3 3 ASN H H 1 8.56 0.005 . 1 . . . . 3 ASN H . 6805 1 20 . 1 1 3 3 ASN HA H 1 4.69 0.005 . 1 . . . . 3 ASN HA . 6805 1 21 . 1 1 3 3 ASN HB2 H 1 2.80 0.005 . 1 . . . . 3 ASN HB2 . 6805 1 22 . 1 1 3 3 ASN HB3 H 1 2.80 0.005 . 1 . . . . 3 ASN HB3 . 6805 1 23 . 1 1 3 3 ASN HD21 H 1 6.89 0.005 . 2 . . . . 3 ASN HD21 . 6805 1 24 . 1 1 3 3 ASN HD22 H 1 7.62 0.005 . 2 . . . . 3 ASN HD22 . 6805 1 25 . 1 1 3 3 ASN C C 13 175.8 0.05 . 1 . . . . 3 ASN C . 6805 1 26 . 1 1 3 3 ASN CA C 13 53.3 0.05 . 1 . . . . 3 ASN CA . 6805 1 27 . 1 1 3 3 ASN CB C 13 39.0 0.05 . 1 . . . . 3 ASN CB . 6805 1 28 . 1 1 3 3 ASN N N 15 121.7 0.05 . 1 . . . . 3 ASN N . 6805 1 29 . 1 1 3 3 ASN ND2 N 15 113.2 0.05 . 1 . . . . 3 ASN ND2 . 6805 1 30 . 1 1 4 4 LYS H H 1 8.38 0.005 . 1 . . . . 4 LYS H . 6805 1 31 . 1 1 4 4 LYS HA H 1 4.11 0.005 . 1 . . . . 4 LYS HA . 6805 1 32 . 1 1 4 4 LYS HB2 H 1 1.70 0.005 . 1 . . . . 4 LYS HB2 . 6805 1 33 . 1 1 4 4 LYS HB3 H 1 1.62 0.005 . 1 . . . . 4 LYS HB3 . 6805 1 34 . 1 1 4 4 LYS HG2 H 1 1.17 0.005 . 1 . . . . 4 LYS HG2 . 6805 1 35 . 1 1 4 4 LYS HG3 H 1 1.17 0.005 . 1 . . . . 4 LYS HG3 . 6805 1 36 . 1 1 4 4 LYS HD2 H 1 1.56 0.005 . 1 . . . . 4 LYS HD2 . 6805 1 37 . 1 1 4 4 LYS HD3 H 1 1.56 0.005 . 1 . . . . 4 LYS HD3 . 6805 1 38 . 1 1 4 4 LYS HE2 H 1 2.89 0.005 . 1 . . . . 4 LYS HE2 . 6805 1 39 . 1 1 4 4 LYS HE3 H 1 2.89 0.005 . 1 . . . . 4 LYS HE3 . 6805 1 40 . 1 1 4 4 LYS C C 13 177.1 0.05 . 1 . . . . 4 LYS C . 6805 1 41 . 1 1 4 4 LYS CA C 13 57.8 0.05 . 1 . . . . 4 LYS CA . 6805 1 42 . 1 1 4 4 LYS CB C 13 32.6 0.05 . 1 . . . . 4 LYS CB . 6805 1 43 . 1 1 4 4 LYS CG C 13 24.6 0.05 . 1 . . . . 4 LYS CG . 6805 1 44 . 1 1 4 4 LYS CD C 13 29.1 0.05 . 1 . . . . 4 LYS CD . 6805 1 45 . 1 1 4 4 LYS CE C 13 42.0 0.05 . 1 . . . . 4 LYS CE . 6805 1 46 . 1 1 4 4 LYS N N 15 122.3 0.05 . 1 . . . . 4 LYS N . 6805 1 47 . 1 1 5 5 PHE H H 1 8.34 0.005 . 1 . . . . 5 PHE H . 6805 1 48 . 1 1 5 5 PHE HA H 1 4.56 0.005 . 1 . . . . 5 PHE HA . 6805 1 49 . 1 1 5 5 PHE HB2 H 1 2.95 0.005 . 1 . . . . 5 PHE HB2 . 6805 1 50 . 1 1 5 5 PHE HB3 H 1 3.14 0.005 . 1 . . . . 5 PHE HB3 . 6805 1 51 . 1 1 5 5 PHE HD1 H 1 7.21 0.005 . 1 . . . . 5 PHE HD1 . 6805 1 52 . 1 1 5 5 PHE HD2 H 1 7.21 0.005 . 1 . . . . 5 PHE HD2 . 6805 1 53 . 1 1 5 5 PHE HE1 H 1 7.36 0.005 . 1 . . . . 5 PHE HE1 . 6805 1 54 . 1 1 5 5 PHE HE2 H 1 7.36 0.005 . 1 . . . . 5 PHE HE2 . 6805 1 55 . 1 1 5 5 PHE HZ H 1 7.31 0.005 . 1 . . . . 5 PHE HZ . 6805 1 56 . 1 1 5 5 PHE C C 13 175.8 0.05 . 1 . . . . 5 PHE C . 6805 1 57 . 1 1 5 5 PHE CA C 13 58.6 0.05 . 1 . . . . 5 PHE CA . 6805 1 58 . 1 1 5 5 PHE CB C 13 38.5 0.05 . 1 . . . . 5 PHE CB . 6805 1 59 . 1 1 5 5 PHE N N 15 119.2 0.05 . 1 . . . . 5 PHE N . 6805 1 60 . 1 1 6 6 ASN H H 1 7.82 0.005 . 1 . . . . 6 ASN H . 6805 1 61 . 1 1 6 6 ASN HA H 1 4.53 0.005 . 1 . . . . 6 ASN HA . 6805 1 62 . 1 1 6 6 ASN HB2 H 1 2.91 0.005 . 2 . . . . 6 ASN HB2 . 6805 1 63 . 1 1 6 6 ASN HB3 H 1 2.84 0.005 . 2 . . . . 6 ASN HB3 . 6805 1 64 . 1 1 6 6 ASN HD21 H 1 6.96 0.005 . 2 . . . . 6 ASN HD21 . 6805 1 65 . 1 1 6 6 ASN HD22 H 1 7.69 0.005 . 2 . . . . 6 ASN HD22 . 6805 1 66 . 1 1 6 6 ASN C C 13 176.5 0.05 . 1 . . . . 6 ASN C . 6805 1 67 . 1 1 6 6 ASN CA C 13 54.9 0.05 . 1 . . . . 6 ASN CA . 6805 1 68 . 1 1 6 6 ASN CB C 13 38.7 0.05 . 1 . . . . 6 ASN CB . 6805 1 69 . 1 1 6 6 ASN N N 15 120.3 0.05 . 1 . . . . 6 ASN N . 6805 1 70 . 1 1 6 6 ASN ND2 N 15 113.1 0.05 . 1 . . . . 6 ASN ND2 . 6805 1 71 . 1 1 7 7 LYS H H 1 8.40 0.005 . 1 . . . . 7 LYS H . 6805 1 72 . 1 1 7 7 LYS HA H 1 3.98 0.005 . 1 . . . . 7 LYS HA . 6805 1 73 . 1 1 7 7 LYS HB2 H 1 1.88 0.005 . 2 . . . . 7 LYS HB2 . 6805 1 74 . 1 1 7 7 LYS HB3 H 1 1.83 0.005 . 2 . . . . 7 LYS HB3 . 6805 1 75 . 1 1 7 7 LYS HG2 H 1 1.49 0.005 . 2 . . . . 7 LYS HG2 . 6805 1 76 . 1 1 7 7 LYS HG3 H 1 1.40 0.005 . 2 . . . . 7 LYS HG3 . 6805 1 77 . 1 1 7 7 LYS HD2 H 1 1.70 0.005 . 1 . . . . 7 LYS HD2 . 6805 1 78 . 1 1 7 7 LYS HD3 H 1 1.70 0.005 . 1 . . . . 7 LYS HD3 . 6805 1 79 . 1 1 7 7 LYS HE2 H 1 2.96 0.005 . 1 . . . . 7 LYS HE2 . 6805 1 80 . 1 1 7 7 LYS HE3 H 1 2.96 0.005 . 1 . . . . 7 LYS HE3 . 6805 1 81 . 1 1 7 7 LYS C C 13 178.1 0.05 . 1 . . . . 7 LYS C . 6805 1 82 . 1 1 7 7 LYS CA C 13 59.6 0.05 . 1 . . . . 7 LYS CA . 6805 1 83 . 1 1 7 7 LYS CB C 13 32.2 0.05 . 1 . . . . 7 LYS CB . 6805 1 84 . 1 1 7 7 LYS CG C 13 24.9 0.05 . 1 . . . . 7 LYS CG . 6805 1 85 . 1 1 7 7 LYS CD C 13 29.3 0.05 . 1 . . . . 7 LYS CD . 6805 1 86 . 1 1 7 7 LYS CE C 13 42.0 0.05 . 1 . . . . 7 LYS CE . 6805 1 87 . 1 1 7 7 LYS N N 15 121.6 0.05 . 1 . . . . 7 LYS N . 6805 1 88 . 1 1 8 8 GLU H H 1 8.48 0.005 . 1 . . . . 8 GLU H . 6805 1 89 . 1 1 8 8 GLU HA H 1 3.98 0.005 . 1 . . . . 8 GLU HA . 6805 1 90 . 1 1 8 8 GLU HB2 H 1 2.07 0.005 . 1 . . . . 8 GLU HB2 . 6805 1 91 . 1 1 8 8 GLU HB3 H 1 2.19 0.005 . 1 . . . . 8 GLU HB3 . 6805 1 92 . 1 1 8 8 GLU HG2 H 1 2.42 0.005 . 2 . . . . 8 GLU HG2 . 6805 1 93 . 1 1 8 8 GLU HG3 H 1 2.38 0.005 . 2 . . . . 8 GLU HG3 . 6805 1 94 . 1 1 8 8 GLU C C 13 179.1 0.05 . 1 . . . . 8 GLU C . 6805 1 95 . 1 1 8 8 GLU CA C 13 59.9 0.05 . 1 . . . . 8 GLU CA . 6805 1 96 . 1 1 8 8 GLU CB C 13 29.0 0.05 . 1 . . . . 8 GLU CB . 6805 1 97 . 1 1 8 8 GLU CG C 13 37.0 0.05 . 1 . . . . 8 GLU CG . 6805 1 98 . 1 1 8 8 GLU N N 15 119.6 0.05 . 1 . . . . 8 GLU N . 6805 1 99 . 1 1 9 9 ARG H H 1 8.22 0.005 . 1 . . . . 9 ARG H . 6805 1 100 . 1 1 9 9 ARG HA H 1 4.16 0.005 . 1 . . . . 9 ARG HA . 6805 1 101 . 1 1 9 9 ARG HB2 H 1 2.06 0.005 . 2 . . . . 9 ARG HB2 . 6805 1 102 . 1 1 9 9 ARG HB3 H 1 1.84 0.005 . 2 . . . . 9 ARG HB3 . 6805 1 103 . 1 1 9 9 ARG HG2 H 1 1.69 0.005 . 2 . . . . 9 ARG HG2 . 6805 1 104 . 1 1 9 9 ARG HG3 H 1 1.62 0.005 . 2 . . . . 9 ARG HG3 . 6805 1 105 . 1 1 9 9 ARG HD2 H 1 3.12 0.005 . 2 . . . . 9 ARG HD2 . 6805 1 106 . 1 1 9 9 ARG HD3 H 1 3.08 0.005 . 2 . . . . 9 ARG HD3 . 6805 1 107 . 1 1 9 9 ARG HE H 1 7.40 0.005 . 1 . . . . 9 ARG HE . 6805 1 108 . 1 1 9 9 ARG C C 13 177.3 0.05 . 1 . . . . 9 ARG C . 6805 1 109 . 1 1 9 9 ARG CA C 13 59.4 0.05 . 1 . . . . 9 ARG CA . 6805 1 110 . 1 1 9 9 ARG CB C 13 30.2 0.05 . 1 . . . . 9 ARG CB . 6805 1 111 . 1 1 9 9 ARG CG C 13 27.2 0.05 . 1 . . . . 9 ARG CG . 6805 1 112 . 1 1 9 9 ARG CD C 13 44.0 0.05 . 1 . . . . 9 ARG CD . 6805 1 113 . 1 1 9 9 ARG N N 15 121.4 0.05 . 1 . . . . 9 ARG N . 6805 1 114 . 1 1 9 9 ARG NE N 15 83.9 0.05 . 1 . . . . 9 ARG NE . 6805 1 115 . 1 1 10 10 VAL H H 1 7.79 0.005 . 1 . . . . 10 VAL H . 6805 1 116 . 1 1 10 10 VAL HA H 1 3.63 0.005 . 1 . . . . 10 VAL HA . 6805 1 117 . 1 1 10 10 VAL HB H 1 2.21 0.005 . 1 . . . . 10 VAL HB . 6805 1 118 . 1 1 10 10 VAL HG11 H 1 0.96 0.005 . 1 . . . . 10 VAL HG1 . 6805 1 119 . 1 1 10 10 VAL HG12 H 1 0.96 0.005 . 1 . . . . 10 VAL HG1 . 6805 1 120 . 1 1 10 10 VAL HG13 H 1 0.96 0.005 . 1 . . . . 10 VAL HG1 . 6805 1 121 . 1 1 10 10 VAL HG21 H 1 1.07 0.005 . 1 . . . . 10 VAL HG2 . 6805 1 122 . 1 1 10 10 VAL HG22 H 1 1.07 0.005 . 1 . . . . 10 VAL HG2 . 6805 1 123 . 1 1 10 10 VAL HG23 H 1 1.07 0.005 . 1 . . . . 10 VAL HG2 . 6805 1 124 . 1 1 10 10 VAL C C 13 178.9 0.05 . 1 . . . . 10 VAL C . 6805 1 125 . 1 1 10 10 VAL CA C 13 66.4 0.05 . 1 . . . . 10 VAL CA . 6805 1 126 . 1 1 10 10 VAL CB C 13 31.8 0.05 . 1 . . . . 10 VAL CB . 6805 1 127 . 1 1 10 10 VAL CG1 C 13 21.6 0.05 . 1 . . . . 10 VAL CG1 . 6805 1 128 . 1 1 10 10 VAL CG2 C 13 23.0 0.05 . 1 . . . . 10 VAL CG2 . 6805 1 129 . 1 1 10 10 VAL N N 15 119.5 0.05 . 1 . . . . 10 VAL N . 6805 1 130 . 1 1 11 11 ILE H H 1 7.95 0.005 . 1 . . . . 11 ILE H . 6805 1 131 . 1 1 11 11 ILE HA H 1 3.74 0.005 . 1 . . . . 11 ILE HA . 6805 1 132 . 1 1 11 11 ILE HB H 1 1.88 0.005 . 1 . . . . 11 ILE HB . 6805 1 133 . 1 1 11 11 ILE HG12 H 1 1.68 0.005 . 2 . . . . 11 ILE HG12 . 6805 1 134 . 1 1 11 11 ILE HG13 H 1 1.18 0.005 . 2 . . . . 11 ILE HG13 . 6805 1 135 . 1 1 11 11 ILE HG21 H 1 0.89 0.005 . 1 . . . . 11 ILE HG2 . 6805 1 136 . 1 1 11 11 ILE HG22 H 1 0.89 0.005 . 1 . . . . 11 ILE HG2 . 6805 1 137 . 1 1 11 11 ILE HG23 H 1 0.89 0.005 . 1 . . . . 11 ILE HG2 . 6805 1 138 . 1 1 11 11 ILE HD11 H 1 0.82 0.005 . 1 . . . . 11 ILE HD1 . 6805 1 139 . 1 1 11 11 ILE HD12 H 1 0.82 0.005 . 1 . . . . 11 ILE HD1 . 6805 1 140 . 1 1 11 11 ILE HD13 H 1 0.82 0.005 . 1 . . . . 11 ILE HD1 . 6805 1 141 . 1 1 11 11 ILE C C 13 178.6 0.05 . 1 . . . . 11 ILE C . 6805 1 142 . 1 1 11 11 ILE CA C 13 64.3 0.05 . 1 . . . . 11 ILE CA . 6805 1 143 . 1 1 11 11 ILE CB C 13 38.0 0.05 . 1 . . . . 11 ILE CB . 6805 1 144 . 1 1 11 11 ILE CG1 C 13 29.0 0.05 . 1 . . . . 11 ILE CG1 . 6805 1 145 . 1 1 11 11 ILE CG2 C 13 17.2 0.05 . 1 . . . . 11 ILE CG2 . 6805 1 146 . 1 1 11 11 ILE CD1 C 13 13.0 0.05 . 1 . . . . 11 ILE CD1 . 6805 1 147 . 1 1 11 11 ILE N N 15 122.1 0.05 . 1 . . . . 11 ILE N . 6805 1 148 . 1 1 12 12 ALA H H 1 8.08 0.005 . 1 . . . . 12 ALA H . 6805 1 149 . 1 1 12 12 ALA HA H 1 4.04 0.005 . 1 . . . . 12 ALA HA . 6805 1 150 . 1 1 12 12 ALA HB1 H 1 1.47 0.005 . 1 . . . . 12 ALA HB . 6805 1 151 . 1 1 12 12 ALA HB2 H 1 1.47 0.005 . 1 . . . . 12 ALA HB . 6805 1 152 . 1 1 12 12 ALA HB3 H 1 1.47 0.005 . 1 . . . . 12 ALA HB . 6805 1 153 . 1 1 12 12 ALA C C 13 179.2 0.05 . 1 . . . . 12 ALA C . 6805 1 154 . 1 1 12 12 ALA CA C 13 55.5 0.05 . 1 . . . . 12 ALA CA . 6805 1 155 . 1 1 12 12 ALA CB C 13 18.4 0.05 . 1 . . . . 12 ALA CB . 6805 1 156 . 1 1 12 12 ALA N N 15 122.9 0.05 . 1 . . . . 12 ALA N . 6805 1 157 . 1 1 13 13 ILE H H 1 8.34 0.005 . 1 . . . . 13 ILE H . 6805 1 158 . 1 1 13 13 ILE HA H 1 3.39 0.005 . 1 . . . . 13 ILE HA . 6805 1 159 . 1 1 13 13 ILE HB H 1 1.88 0.005 . 1 . . . . 13 ILE HB . 6805 1 160 . 1 1 13 13 ILE HG12 H 1 1.95 0.005 . 2 . . . . 13 ILE HG12 . 6805 1 161 . 1 1 13 13 ILE HG13 H 1 0.89 0.005 . 2 . . . . 13 ILE HG13 . 6805 1 162 . 1 1 13 13 ILE HG21 H 1 0.84 0.005 . 1 . . . . 13 ILE HG2 . 6805 1 163 . 1 1 13 13 ILE HG22 H 1 0.84 0.005 . 1 . . . . 13 ILE HG2 . 6805 1 164 . 1 1 13 13 ILE HG23 H 1 0.84 0.005 . 1 . . . . 13 ILE HG2 . 6805 1 165 . 1 1 13 13 ILE HD11 H 1 0.81 0.005 . 1 . . . . 13 ILE HD1 . 6805 1 166 . 1 1 13 13 ILE HD12 H 1 0.81 0.005 . 1 . . . . 13 ILE HD1 . 6805 1 167 . 1 1 13 13 ILE HD13 H 1 0.81 0.005 . 1 . . . . 13 ILE HD1 . 6805 1 168 . 1 1 13 13 ILE C C 13 177.7 0.05 . 1 . . . . 13 ILE C . 6805 1 169 . 1 1 13 13 ILE CA C 13 66.0 0.05 . 1 . . . . 13 ILE CA . 6805 1 170 . 1 1 13 13 ILE CB C 13 37.8 0.05 . 1 . . . . 13 ILE CB . 6805 1 171 . 1 1 13 13 ILE CG1 C 13 30.3 0.05 . 1 . . . . 13 ILE CG1 . 6805 1 172 . 1 1 13 13 ILE CG2 C 13 17.4 0.05 . 1 . . . . 13 ILE CG2 . 6805 1 173 . 1 1 13 13 ILE CD1 C 13 13.9 0.05 . 1 . . . . 13 ILE CD1 . 6805 1 174 . 1 1 13 13 ILE N N 15 117.7 0.05 . 1 . . . . 13 ILE N . 6805 1 175 . 1 1 14 14 GLY H H 1 7.81 0.005 . 1 . . . . 14 GLY H . 6805 1 176 . 1 1 14 14 GLY HA2 H 1 3.88 0.005 . 2 . . . . 14 GLY HA2 . 6805 1 177 . 1 1 14 14 GLY HA3 H 1 3.62 0.005 . 2 . . . . 14 GLY HA3 . 6805 1 178 . 1 1 14 14 GLY C C 13 176.1 0.05 . 1 . . . . 14 GLY C . 6805 1 179 . 1 1 14 14 GLY CA C 13 47.3 0.05 . 1 . . . . 14 GLY CA . 6805 1 180 . 1 1 14 14 GLY N N 15 105.9 0.05 . 1 . . . . 14 GLY N . 6805 1 181 . 1 1 15 15 GLU H H 1 7.85 0.005 . 1 . . . . 15 GLU H . 6805 1 182 . 1 1 15 15 GLU HA H 1 3.99 0.005 . 1 . . . . 15 GLU HA . 6805 1 183 . 1 1 15 15 GLU HB2 H 1 2.08 0.005 . 2 . . . . 15 GLU HB2 . 6805 1 184 . 1 1 15 15 GLU HB3 H 1 1.96 0.005 . 2 . . . . 15 GLU HB3 . 6805 1 185 . 1 1 15 15 GLU HG2 H 1 2.29 0.005 . 2 . . . . 15 GLU HG2 . 6805 1 186 . 1 1 15 15 GLU HG3 H 1 2.22 0.005 . 2 . . . . 15 GLU HG3 . 6805 1 187 . 1 1 15 15 GLU C C 13 179.9 0.05 . 1 . . . . 15 GLU C . 6805 1 188 . 1 1 15 15 GLU CA C 13 59.1 0.05 . 1 . . . . 15 GLU CA . 6805 1 189 . 1 1 15 15 GLU CB C 13 30.0 0.05 . 1 . . . . 15 GLU CB . 6805 1 190 . 1 1 15 15 GLU CG C 13 36.2 0.05 . 1 . . . . 15 GLU CG . 6805 1 191 . 1 1 15 15 GLU N N 15 120.0 0.05 . 1 . . . . 15 GLU N . 6805 1 192 . 1 1 16 16 ILE H H 1 8.25 0.005 . 1 . . . . 16 ILE H . 6805 1 193 . 1 1 16 16 ILE HA H 1 3.48 0.005 . 1 . . . . 16 ILE HA . 6805 1 194 . 1 1 16 16 ILE HB H 1 1.87 0.005 . 1 . . . . 16 ILE HB . 6805 1 195 . 1 1 16 16 ILE HG12 H 1 1.73 0.005 . 2 . . . . 16 ILE HG12 . 6805 1 196 . 1 1 16 16 ILE HG13 H 1 0.63 0.005 . 2 . . . . 16 ILE HG13 . 6805 1 197 . 1 1 16 16 ILE HG21 H 1 0.80 0.005 . 1 . . . . 16 ILE HG2 . 6805 1 198 . 1 1 16 16 ILE HG22 H 1 0.80 0.005 . 1 . . . . 16 ILE HG2 . 6805 1 199 . 1 1 16 16 ILE HG23 H 1 0.80 0.005 . 1 . . . . 16 ILE HG2 . 6805 1 200 . 1 1 16 16 ILE HD11 H 1 0.44 0.005 . 1 . . . . 16 ILE HD1 . 6805 1 201 . 1 1 16 16 ILE HD12 H 1 0.44 0.005 . 1 . . . . 16 ILE HD1 . 6805 1 202 . 1 1 16 16 ILE HD13 H 1 0.44 0.005 . 1 . . . . 16 ILE HD1 . 6805 1 203 . 1 1 16 16 ILE C C 13 177.8 0.05 . 1 . . . . 16 ILE C . 6805 1 204 . 1 1 16 16 ILE CA C 13 64.9 0.05 . 1 . . . . 16 ILE CA . 6805 1 205 . 1 1 16 16 ILE CB C 13 37.7 0.05 . 1 . . . . 16 ILE CB . 6805 1 206 . 1 1 16 16 ILE CG1 C 13 30.0 0.05 . 1 . . . . 16 ILE CG1 . 6805 1 207 . 1 1 16 16 ILE CG2 C 13 17.3 0.05 . 1 . . . . 16 ILE CG2 . 6805 1 208 . 1 1 16 16 ILE CD1 C 13 12.8 0.05 . 1 . . . . 16 ILE CD1 . 6805 1 209 . 1 1 16 16 ILE N N 15 121.2 0.05 . 1 . . . . 16 ILE N . 6805 1 210 . 1 1 17 17 MET H H 1 7.89 0.005 . 1 . . . . 17 MET H . 6805 1 211 . 1 1 17 17 MET HA H 1 4.10 0.005 . 1 . . . . 17 MET HA . 6805 1 212 . 1 1 17 17 MET HB2 H 1 2.03 0.005 . 2 . . . . 17 MET HB2 . 6805 1 213 . 1 1 17 17 MET HB3 H 1 2.01 0.005 . 2 . . . . 17 MET HB3 . 6805 1 214 . 1 1 17 17 MET HG2 H 1 2.62 0.005 . 2 . . . . 17 MET HG2 . 6805 1 215 . 1 1 17 17 MET HG3 H 1 2.52 0.005 . 2 . . . . 17 MET HG3 . 6805 1 216 . 1 1 17 17 MET HE1 H 1 1.96 0.005 . 1 . . . . 17 MET HE . 6805 1 217 . 1 1 17 17 MET HE2 H 1 1.96 0.005 . 1 . . . . 17 MET HE . 6805 1 218 . 1 1 17 17 MET HE3 H 1 1.96 0.005 . 1 . . . . 17 MET HE . 6805 1 219 . 1 1 17 17 MET C C 13 176.7 0.05 . 1 . . . . 17 MET C . 6805 1 220 . 1 1 17 17 MET CA C 13 57.4 0.05 . 1 . . . . 17 MET CA . 6805 1 221 . 1 1 17 17 MET CB C 13 32.1 0.05 . 1 . . . . 17 MET CB . 6805 1 222 . 1 1 17 17 MET CG C 13 32.6 0.05 . 1 . . . . 17 MET CG . 6805 1 223 . 1 1 17 17 MET CE C 13 17.0 0.05 . 1 . . . . 17 MET CE . 6805 1 224 . 1 1 17 17 MET N N 15 114.9 0.05 . 1 . . . . 17 MET N . 6805 1 225 . 1 1 18 18 ARG H H 1 7.19 0.005 . 1 . . . . 18 ARG H . 6805 1 226 . 1 1 18 18 ARG HA H 1 4.38 0.005 . 1 . . . . 18 ARG HA . 6805 1 227 . 1 1 18 18 ARG HB2 H 1 1.96 0.005 . 1 . . . . 18 ARG HB2 . 6805 1 228 . 1 1 18 18 ARG HB3 H 1 1.82 0.005 . 1 . . . . 18 ARG HB3 . 6805 1 229 . 1 1 18 18 ARG HG2 H 1 1.73 0.005 . 2 . . . . 18 ARG HG2 . 6805 1 230 . 1 1 18 18 ARG HG3 H 1 1.69 0.005 . 2 . . . . 18 ARG HG3 . 6805 1 231 . 1 1 18 18 ARG HD2 H 1 3.16 0.005 . 1 . . . . 18 ARG HD2 . 6805 1 232 . 1 1 18 18 ARG HD3 H 1 3.16 0.005 . 1 . . . . 18 ARG HD3 . 6805 1 233 . 1 1 18 18 ARG HE H 1 7.23 0.005 . 1 . . . . 18 ARG HE . 6805 1 234 . 1 1 18 18 ARG C C 13 176.2 0.05 . 1 . . . . 18 ARG C . 6805 1 235 . 1 1 18 18 ARG CA C 13 56.0 0.05 . 1 . . . . 18 ARG CA . 6805 1 236 . 1 1 18 18 ARG CB C 13 31.1 0.05 . 1 . . . . 18 ARG CB . 6805 1 237 . 1 1 18 18 ARG CG C 13 27.6 0.05 . 1 . . . . 18 ARG CG . 6805 1 238 . 1 1 18 18 ARG CD C 13 43.6 0.05 . 1 . . . . 18 ARG CD . 6805 1 239 . 1 1 18 18 ARG N N 15 116.4 0.05 . 1 . . . . 18 ARG N . 6805 1 240 . 1 1 18 18 ARG NE N 15 85.2 0.05 . 1 . . . . 18 ARG NE . 6805 1 241 . 1 1 19 19 LEU H H 1 7.19 0.005 . 1 . . . . 19 LEU H . 6805 1 242 . 1 1 19 19 LEU HA H 1 4.49 0.005 . 1 . . . . 19 LEU HA . 6805 1 243 . 1 1 19 19 LEU HB2 H 1 1.94 0.005 . 1 . . . . 19 LEU HB2 . 6805 1 244 . 1 1 19 19 LEU HB3 H 1 1.20 0.005 . 1 . . . . 19 LEU HB3 . 6805 1 245 . 1 1 19 19 LEU HG H 1 2.06 0.005 . 1 . . . . 19 LEU HG . 6805 1 246 . 1 1 19 19 LEU HD11 H 1 0.70 0.005 . 1 . . . . 19 LEU HD1 . 6805 1 247 . 1 1 19 19 LEU HD12 H 1 0.70 0.005 . 1 . . . . 19 LEU HD1 . 6805 1 248 . 1 1 19 19 LEU HD13 H 1 0.70 0.005 . 1 . . . . 19 LEU HD1 . 6805 1 249 . 1 1 19 19 LEU HD21 H 1 0.81 0.005 . 1 . . . . 19 LEU HD2 . 6805 1 250 . 1 1 19 19 LEU HD22 H 1 0.81 0.005 . 1 . . . . 19 LEU HD2 . 6805 1 251 . 1 1 19 19 LEU HD23 H 1 0.81 0.005 . 1 . . . . 19 LEU HD2 . 6805 1 252 . 1 1 19 19 LEU C C 13 176.6 0.05 . 1 . . . . 19 LEU C . 6805 1 253 . 1 1 19 19 LEU CA C 13 52.6 0.05 . 1 . . . . 19 LEU CA . 6805 1 254 . 1 1 19 19 LEU CB C 13 39.7 0.05 . 1 . . . . 19 LEU CB . 6805 1 255 . 1 1 19 19 LEU CG C 13 25.3 0.05 . 1 . . . . 19 LEU CG . 6805 1 256 . 1 1 19 19 LEU CD1 C 13 27.2 0.05 . 1 . . . . 19 LEU CD1 . 6805 1 257 . 1 1 19 19 LEU CD2 C 13 23.3 0.05 . 1 . . . . 19 LEU CD2 . 6805 1 258 . 1 1 19 19 LEU N N 15 124.8 0.05 . 1 . . . . 19 LEU N . 6805 1 259 . 1 1 20 20 PRO HA H 1 4.38 0.005 . 1 . . . . 20 PRO HA . 6805 1 260 . 1 1 20 20 PRO HB2 H 1 2.27 0.005 . 2 . . . . 20 PRO HB2 . 6805 1 261 . 1 1 20 20 PRO HB3 H 1 1.96 0.005 . 2 . . . . 20 PRO HB3 . 6805 1 262 . 1 1 20 20 PRO HG2 H 1 2.11 0.005 . 2 . . . . 20 PRO HG2 . 6805 1 263 . 1 1 20 20 PRO HG3 H 1 1.96 0.005 . 2 . . . . 20 PRO HG3 . 6805 1 264 . 1 1 20 20 PRO HD2 H 1 4.06 0.005 . 2 . . . . 20 PRO HD2 . 6805 1 265 . 1 1 20 20 PRO HD3 H 1 3.80 0.005 . 2 . . . . 20 PRO HD3 . 6805 1 266 . 1 1 20 20 PRO C C 13 178.0 0.05 . 1 . . . . 20 PRO C . 6805 1 267 . 1 1 20 20 PRO CA C 13 64.6 0.05 . 1 . . . . 20 PRO CA . 6805 1 268 . 1 1 20 20 PRO CB C 13 32.8 0.05 . 1 . . . . 20 PRO CB . 6805 1 269 . 1 1 20 20 PRO CG C 13 27.2 0.05 . 1 . . . . 20 PRO CG . 6805 1 270 . 1 1 20 20 PRO CD C 13 51.3 0.05 . 1 . . . . 20 PRO CD . 6805 1 271 . 1 1 21 21 ASN H H 1 8.81 0.005 . 1 . . . . 21 ASN H . 6805 1 272 . 1 1 21 21 ASN HA H 1 4.96 0.005 . 1 . . . . 21 ASN HA . 6805 1 273 . 1 1 21 21 ASN HB2 H 1 2.88 0.005 . 2 . . . . 21 ASN HB2 . 6805 1 274 . 1 1 21 21 ASN HB3 H 1 2.84 0.005 . 2 . . . . 21 ASN HB3 . 6805 1 275 . 1 1 21 21 ASN HD21 H 1 6.98 0.005 . 2 . . . . 21 ASN HD21 . 6805 1 276 . 1 1 21 21 ASN HD22 H 1 7.41 0.005 . 2 . . . . 21 ASN HD22 . 6805 1 277 . 1 1 21 21 ASN C C 13 176.4 0.05 . 1 . . . . 21 ASN C . 6805 1 278 . 1 1 21 21 ASN CA C 13 52.6 0.05 . 1 . . . . 21 ASN CA . 6805 1 279 . 1 1 21 21 ASN CB C 13 38.8 0.05 . 1 . . . . 21 ASN CB . 6805 1 280 . 1 1 21 21 ASN N N 15 114.0 0.05 . 1 . . . . 21 ASN N . 6805 1 281 . 1 1 21 21 ASN ND2 N 15 115.6 0.05 . 1 . . . . 21 ASN ND2 . 6805 1 282 . 1 1 22 22 LEU H H 1 6.74 0.005 . 1 . . . . 22 LEU H . 6805 1 283 . 1 1 22 22 LEU HA H 1 4.44 0.005 . 1 . . . . 22 LEU HA . 6805 1 284 . 1 1 22 22 LEU HB2 H 1 1.83 0.005 . 1 . . . . 22 LEU HB2 . 6805 1 285 . 1 1 22 22 LEU HB3 H 1 1.49 0.005 . 1 . . . . 22 LEU HB3 . 6805 1 286 . 1 1 22 22 LEU HG H 1 1.69 0.005 . 1 . . . . 22 LEU HG . 6805 1 287 . 1 1 22 22 LEU HD11 H 1 0.98 0.005 . 1 . . . . 22 LEU HD1 . 6805 1 288 . 1 1 22 22 LEU HD12 H 1 0.98 0.005 . 1 . . . . 22 LEU HD1 . 6805 1 289 . 1 1 22 22 LEU HD13 H 1 0.98 0.005 . 1 . . . . 22 LEU HD1 . 6805 1 290 . 1 1 22 22 LEU HD21 H 1 0.85 0.005 . 1 . . . . 22 LEU HD2 . 6805 1 291 . 1 1 22 22 LEU HD22 H 1 0.85 0.005 . 1 . . . . 22 LEU HD2 . 6805 1 292 . 1 1 22 22 LEU HD23 H 1 0.85 0.005 . 1 . . . . 22 LEU HD2 . 6805 1 293 . 1 1 22 22 LEU C C 13 176.9 0.05 . 1 . . . . 22 LEU C . 6805 1 294 . 1 1 22 22 LEU CA C 13 54.3 0.05 . 1 . . . . 22 LEU CA . 6805 1 295 . 1 1 22 22 LEU CB C 13 42.7 0.05 . 1 . . . . 22 LEU CB . 6805 1 296 . 1 1 22 22 LEU CG C 13 27.2 0.05 . 1 . . . . 22 LEU CG . 6805 1 297 . 1 1 22 22 LEU CD1 C 13 27.1 0.05 . 1 . . . . 22 LEU CD1 . 6805 1 298 . 1 1 22 22 LEU CD2 C 13 22.4 0.05 . 1 . . . . 22 LEU CD2 . 6805 1 299 . 1 1 22 22 LEU N N 15 119.1 0.05 . 1 . . . . 22 LEU N . 6805 1 300 . 1 1 23 23 ASN H H 1 8.84 0.005 . 1 . . . . 23 ASN H . 6805 1 301 . 1 1 23 23 ASN HA H 1 4.97 0.005 . 1 . . . . 23 ASN HA . 6805 1 302 . 1 1 23 23 ASN HB2 H 1 3.21 0.005 . 1 . . . . 23 ASN HB2 . 6805 1 303 . 1 1 23 23 ASN HB3 H 1 2.80 0.005 . 1 . . . . 23 ASN HB3 . 6805 1 304 . 1 1 23 23 ASN HD21 H 1 7.00 0.005 . 2 . . . . 23 ASN HD21 . 6805 1 305 . 1 1 23 23 ASN HD22 H 1 7.65 0.005 . 2 . . . . 23 ASN HD22 . 6805 1 306 . 1 1 23 23 ASN C C 13 176.4 0.05 . 1 . . . . 23 ASN C . 6805 1 307 . 1 1 23 23 ASN CA C 13 51.4 0.05 . 1 . . . . 23 ASN CA . 6805 1 308 . 1 1 23 23 ASN CB C 13 39.3 0.05 . 1 . . . . 23 ASN CB . 6805 1 309 . 1 1 23 23 ASN N N 15 121.4 0.05 . 1 . . . . 23 ASN N . 6805 1 310 . 1 1 23 23 ASN ND2 N 15 113.8 0.05 . 1 . . . . 23 ASN ND2 . 6805 1 311 . 1 1 24 24 SER H H 1 8.77 0.005 . 1 . . . . 24 SER H . 6805 1 312 . 1 1 24 24 SER HA H 1 4.08 0.005 . 1 . . . . 24 SER HA . 6805 1 313 . 1 1 24 24 SER HB2 H 1 3.90 0.005 . 1 . . . . 24 SER HB2 . 6805 1 314 . 1 1 24 24 SER HB3 H 1 3.90 0.005 . 1 . . . . 24 SER HB3 . 6805 1 315 . 1 1 24 24 SER C C 13 176.1 0.05 . 1 . . . . 24 SER C . 6805 1 316 . 1 1 24 24 SER CA C 13 62.3 0.05 . 1 . . . . 24 SER CA . 6805 1 317 . 1 1 24 24 SER CB C 13 62.9 0.05 . 1 . . . . 24 SER CB . 6805 1 318 . 1 1 24 24 SER N N 15 115.6 0.05 . 1 . . . . 24 SER N . 6805 1 319 . 1 1 25 25 LEU H H 1 7.92 0.005 . 1 . . . . 25 LEU H . 6805 1 320 . 1 1 25 25 LEU HA H 1 4.05 0.005 . 1 . . . . 25 LEU HA . 6805 1 321 . 1 1 25 25 LEU HB2 H 1 1.53 0.005 . 2 . . . . 25 LEU HB2 . 6805 1 322 . 1 1 25 25 LEU HB3 H 1 1.81 0.005 . 2 . . . . 25 LEU HB3 . 6805 1 323 . 1 1 25 25 LEU HG H 1 1.66 0.005 . 1 . . . . 25 LEU HG . 6805 1 324 . 1 1 25 25 LEU HD11 H 1 0.88 0.005 . 1 . . . . 25 LEU HD1 . 6805 1 325 . 1 1 25 25 LEU HD12 H 1 0.88 0.005 . 1 . . . . 25 LEU HD1 . 6805 1 326 . 1 1 25 25 LEU HD13 H 1 0.88 0.005 . 1 . . . . 25 LEU HD1 . 6805 1 327 . 1 1 25 25 LEU HD21 H 1 0.84 0.005 . 1 . . . . 25 LEU HD2 . 6805 1 328 . 1 1 25 25 LEU HD22 H 1 0.84 0.005 . 1 . . . . 25 LEU HD2 . 6805 1 329 . 1 1 25 25 LEU HD23 H 1 0.84 0.005 . 1 . . . . 25 LEU HD2 . 6805 1 330 . 1 1 25 25 LEU C C 13 180.4 0.05 . 1 . . . . 25 LEU C . 6805 1 331 . 1 1 25 25 LEU CA C 13 58.0 0.05 . 1 . . . . 25 LEU CA . 6805 1 332 . 1 1 25 25 LEU CB C 13 41.3 0.05 . 1 . . . . 25 LEU CB . 6805 1 333 . 1 1 25 25 LEU CG C 13 27.1 0.05 . 1 . . . . 25 LEU CG . 6805 1 334 . 1 1 25 25 LEU CD1 C 13 25.0 0.05 . 1 . . . . 25 LEU CD1 . 6805 1 335 . 1 1 25 25 LEU CD2 C 13 23.5 0.05 . 1 . . . . 25 LEU CD2 . 6805 1 336 . 1 1 25 25 LEU N N 15 122.5 0.05 . 1 . . . . 25 LEU N . 6805 1 337 . 1 1 26 26 GLN H H 1 8.07 0.005 . 1 . . . . 26 GLN H . 6805 1 338 . 1 1 26 26 GLN HA H 1 3.93 0.005 . 1 . . . . 26 GLN HA . 6805 1 339 . 1 1 26 26 GLN HB2 H 1 2.58 0.005 . 1 . . . . 26 GLN HB2 . 6805 1 340 . 1 1 26 26 GLN HB3 H 1 1.69 0.005 . 1 . . . . 26 GLN HB3 . 6805 1 341 . 1 1 26 26 GLN HG2 H 1 2.67 0.005 . 2 . . . . 26 GLN HG2 . 6805 1 342 . 1 1 26 26 GLN HG3 H 1 2.31 0.005 . 2 . . . . 26 GLN HG3 . 6805 1 343 . 1 1 26 26 GLN HE21 H 1 7.66 0.005 . 2 . . . . 26 GLN HE21 . 6805 1 344 . 1 1 26 26 GLN HE22 H 1 8.34 0.005 . 2 . . . . 26 GLN HE22 . 6805 1 345 . 1 1 26 26 GLN C C 13 178.3 0.05 . 1 . . . . 26 GLN C . 6805 1 346 . 1 1 26 26 GLN CA C 13 58.3 0.05 . 1 . . . . 26 GLN CA . 6805 1 347 . 1 1 26 26 GLN CB C 13 28.6 0.05 . 1 . . . . 26 GLN CB . 6805 1 348 . 1 1 26 26 GLN CG C 13 34.4 0.05 . 1 . . . . 26 GLN CG . 6805 1 349 . 1 1 26 26 GLN N N 15 120.7 0.05 . 1 . . . . 26 GLN N . 6805 1 350 . 1 1 26 26 GLN NE2 N 15 114.1 0.05 . 1 . . . . 26 GLN NE2 . 6805 1 351 . 1 1 27 27 VAL H H 1 8.01 0.005 . 1 . . . . 27 VAL H . 6805 1 352 . 1 1 27 27 VAL HA H 1 3.51 0.005 . 1 . . . . 27 VAL HA . 6805 1 353 . 1 1 27 27 VAL HB H 1 2.19 0.005 . 1 . . . . 27 VAL HB . 6805 1 354 . 1 1 27 27 VAL HG11 H 1 0.93 0.005 . 1 . . . . 27 VAL HG1 . 6805 1 355 . 1 1 27 27 VAL HG12 H 1 0.93 0.005 . 1 . . . . 27 VAL HG1 . 6805 1 356 . 1 1 27 27 VAL HG13 H 1 0.93 0.005 . 1 . . . . 27 VAL HG1 . 6805 1 357 . 1 1 27 27 VAL HG21 H 1 1.03 0.005 . 1 . . . . 27 VAL HG2 . 6805 1 358 . 1 1 27 27 VAL HG22 H 1 1.03 0.005 . 1 . . . . 27 VAL HG2 . 6805 1 359 . 1 1 27 27 VAL HG23 H 1 1.03 0.005 . 1 . . . . 27 VAL HG2 . 6805 1 360 . 1 1 27 27 VAL C C 13 177.6 0.05 . 1 . . . . 27 VAL C . 6805 1 361 . 1 1 27 27 VAL CA C 13 68.1 0.05 . 1 . . . . 27 VAL CA . 6805 1 362 . 1 1 27 27 VAL CB C 13 32.0 0.05 . 1 . . . . 27 VAL CB . 6805 1 363 . 1 1 27 27 VAL CG1 C 13 22.1 0.05 . 1 . . . . 27 VAL CG1 . 6805 1 364 . 1 1 27 27 VAL CG2 C 13 23.9 0.05 . 1 . . . . 27 VAL CG2 . 6805 1 365 . 1 1 27 27 VAL N N 15 119.4 0.05 . 1 . . . . 27 VAL N . 6805 1 366 . 1 1 28 28 VAL H H 1 7.84 0.005 . 1 . . . . 28 VAL H . 6805 1 367 . 1 1 28 28 VAL HA H 1 3.46 0.005 . 1 . . . . 28 VAL HA . 6805 1 368 . 1 1 28 28 VAL HB H 1 2.08 0.005 . 1 . . . . 28 VAL HB . 6805 1 369 . 1 1 28 28 VAL HG11 H 1 0.91 0.005 . 1 . . . . 28 VAL HG1 . 6805 1 370 . 1 1 28 28 VAL HG12 H 1 0.91 0.005 . 1 . . . . 28 VAL HG1 . 6805 1 371 . 1 1 28 28 VAL HG13 H 1 0.91 0.005 . 1 . . . . 28 VAL HG1 . 6805 1 372 . 1 1 28 28 VAL HG21 H 1 1.06 0.005 . 1 . . . . 28 VAL HG2 . 6805 1 373 . 1 1 28 28 VAL HG22 H 1 1.06 0.005 . 1 . . . . 28 VAL HG2 . 6805 1 374 . 1 1 28 28 VAL HG23 H 1 1.06 0.005 . 1 . . . . 28 VAL HG2 . 6805 1 375 . 1 1 28 28 VAL C C 13 177.1 0.05 . 1 . . . . 28 VAL C . 6805 1 376 . 1 1 28 28 VAL CA C 13 66.9 0.05 . 1 . . . . 28 VAL CA . 6805 1 377 . 1 1 28 28 VAL CB C 13 31.7 0.05 . 1 . . . . 28 VAL CB . 6805 1 378 . 1 1 28 28 VAL CG1 C 13 21.3 0.05 . 1 . . . . 28 VAL CG1 . 6805 1 379 . 1 1 28 28 VAL CG2 C 13 23.5 0.05 . 1 . . . . 28 VAL CG2 . 6805 1 380 . 1 1 28 28 VAL N N 15 118.3 0.05 . 1 . . . . 28 VAL N . 6805 1 381 . 1 1 29 29 ALA H H 1 7.69 0.005 . 1 . . . . 29 ALA H . 6805 1 382 . 1 1 29 29 ALA HA H 1 4.09 0.005 . 1 . . . . 29 ALA HA . 6805 1 383 . 1 1 29 29 ALA HB1 H 1 1.31 0.005 . 1 . . . . 29 ALA HB . 6805 1 384 . 1 1 29 29 ALA HB2 H 1 1.31 0.005 . 1 . . . . 29 ALA HB . 6805 1 385 . 1 1 29 29 ALA HB3 H 1 1.31 0.005 . 1 . . . . 29 ALA HB . 6805 1 386 . 1 1 29 29 ALA C C 13 181.4 0.05 . 1 . . . . 29 ALA C . 6805 1 387 . 1 1 29 29 ALA CA C 13 55.4 0.05 . 1 . . . . 29 ALA CA . 6805 1 388 . 1 1 29 29 ALA CB C 13 17.8 0.05 . 1 . . . . 29 ALA CB . 6805 1 389 . 1 1 29 29 ALA N N 15 122.1 0.05 . 1 . . . . 29 ALA N . 6805 1 390 . 1 1 30 30 PHE H H 1 8.15 0.005 . 1 . . . . 30 PHE H . 6805 1 391 . 1 1 30 30 PHE HA H 1 4.36 0.005 . 1 . . . . 30 PHE HA . 6805 1 392 . 1 1 30 30 PHE HB2 H 1 3.14 0.005 . 1 . . . . 30 PHE HB2 . 6805 1 393 . 1 1 30 30 PHE HB3 H 1 2.96 0.005 . 1 . . . . 30 PHE HB3 . 6805 1 394 . 1 1 30 30 PHE HD1 H 1 7.24 0.005 . 1 . . . . 30 PHE HD1 . 6805 1 395 . 1 1 30 30 PHE HD2 H 1 7.24 0.005 . 1 . . . . 30 PHE HD2 . 6805 1 396 . 1 1 30 30 PHE HE1 H 1 7.26 0.005 . 1 . . . . 30 PHE HE1 . 6805 1 397 . 1 1 30 30 PHE HE2 H 1 7.26 0.005 . 1 . . . . 30 PHE HE2 . 6805 1 398 . 1 1 30 30 PHE HZ H 1 7.09 0.005 . 1 . . . . 30 PHE HZ . 6805 1 399 . 1 1 30 30 PHE C C 13 178.2 0.05 . 1 . . . . 30 PHE C . 6805 1 400 . 1 1 30 30 PHE CA C 13 62.3 0.05 . 1 . . . . 30 PHE CA . 6805 1 401 . 1 1 30 30 PHE CB C 13 39.3 0.05 . 1 . . . . 30 PHE CB . 6805 1 402 . 1 1 30 30 PHE N N 15 117.6 0.05 . 1 . . . . 30 PHE N . 6805 1 403 . 1 1 31 31 ILE H H 1 8.52 0.005 . 1 . . . . 31 ILE H . 6805 1 404 . 1 1 31 31 ILE HA H 1 3.60 0.005 . 1 . . . . 31 ILE HA . 6805 1 405 . 1 1 31 31 ILE HB H 1 1.99 0.005 . 1 . . . . 31 ILE HB . 6805 1 406 . 1 1 31 31 ILE HG12 H 1 1.78 0.005 . 2 . . . . 31 ILE HG12 . 6805 1 407 . 1 1 31 31 ILE HG13 H 1 1.20 0.005 . 2 . . . . 31 ILE HG13 . 6805 1 408 . 1 1 31 31 ILE HG21 H 1 0.85 0.005 . 1 . . . . 31 ILE HG2 . 6805 1 409 . 1 1 31 31 ILE HG22 H 1 0.85 0.005 . 1 . . . . 31 ILE HG2 . 6805 1 410 . 1 1 31 31 ILE HG23 H 1 0.85 0.005 . 1 . . . . 31 ILE HG2 . 6805 1 411 . 1 1 31 31 ILE HD11 H 1 0.79 0.005 . 1 . . . . 31 ILE HD1 . 6805 1 412 . 1 1 31 31 ILE HD12 H 1 0.79 0.005 . 1 . . . . 31 ILE HD1 . 6805 1 413 . 1 1 31 31 ILE HD13 H 1 0.79 0.005 . 1 . . . . 31 ILE HD1 . 6805 1 414 . 1 1 31 31 ILE C C 13 178.3 0.05 . 1 . . . . 31 ILE C . 6805 1 415 . 1 1 31 31 ILE CA C 13 65.6 0.05 . 1 . . . . 31 ILE CA . 6805 1 416 . 1 1 31 31 ILE CB C 13 36.7 0.05 . 1 . . . . 31 ILE CB . 6805 1 417 . 1 1 31 31 ILE CG1 C 13 29.4 0.05 . 1 . . . . 31 ILE CG1 . 6805 1 418 . 1 1 31 31 ILE CG2 C 13 17.5 0.05 . 1 . . . . 31 ILE CG2 . 6805 1 419 . 1 1 31 31 ILE CD1 C 13 13.5 0.05 . 1 . . . . 31 ILE CD1 . 6805 1 420 . 1 1 31 31 ILE N N 15 120.3 0.05 . 1 . . . . 31 ILE N . 6805 1 421 . 1 1 32 32 ASN H H 1 8.83 0.005 . 1 . . . . 32 ASN H . 6805 1 422 . 1 1 32 32 ASN HA H 1 4.38 0.005 . 1 . . . . 32 ASN HA . 6805 1 423 . 1 1 32 32 ASN HB2 H 1 2.90 0.005 . 2 . . . . 32 ASN HB2 . 6805 1 424 . 1 1 32 32 ASN HB3 H 1 2.87 0.005 . 2 . . . . 32 ASN HB3 . 6805 1 425 . 1 1 32 32 ASN HD21 H 1 6.81 0.005 . 2 . . . . 32 ASN HD21 . 6805 1 426 . 1 1 32 32 ASN HD22 H 1 7.55 0.005 . 2 . . . . 32 ASN HD22 . 6805 1 427 . 1 1 32 32 ASN C C 13 178.0 0.05 . 1 . . . . 32 ASN C . 6805 1 428 . 1 1 32 32 ASN CA C 13 56.4 0.05 . 1 . . . . 32 ASN CA . 6805 1 429 . 1 1 32 32 ASN CB C 13 37.9 0.05 . 1 . . . . 32 ASN CB . 6805 1 430 . 1 1 32 32 ASN N N 15 120.1 0.05 . 1 . . . . 32 ASN N . 6805 1 431 . 1 1 32 32 ASN ND2 N 15 112.7 0.05 . 1 . . . . 32 ASN ND2 . 6805 1 432 . 1 1 33 33 SER H H 1 8.05 0.005 . 1 . . . . 33 SER H . 6805 1 433 . 1 1 33 33 SER HA H 1 4.27 0.005 . 1 . . . . 33 SER HA . 6805 1 434 . 1 1 33 33 SER HB2 H 1 4.07 0.005 . 1 . . . . 33 SER HB2 . 6805 1 435 . 1 1 33 33 SER HB3 H 1 3.94 0.005 . 1 . . . . 33 SER HB3 . 6805 1 436 . 1 1 33 33 SER C C 13 176.3 0.05 . 1 . . . . 33 SER C . 6805 1 437 . 1 1 33 33 SER CA C 13 62.4 0.05 . 1 . . . . 33 SER CA . 6805 1 438 . 1 1 33 33 SER CB C 13 63.4 0.05 . 1 . . . . 33 SER CB . 6805 1 439 . 1 1 33 33 SER N N 15 117.2 0.05 . 1 . . . . 33 SER N . 6805 1 440 . 1 1 34 34 LEU H H 1 8.06 0.005 . 1 . . . . 34 LEU H . 6805 1 441 . 1 1 34 34 LEU HA H 1 3.88 0.005 . 1 . . . . 34 LEU HA . 6805 1 442 . 1 1 34 34 LEU HB2 H 1 1.31 0.005 . 2 . . . . 34 LEU HB2 . 6805 1 443 . 1 1 34 34 LEU HB3 H 1 1.91 0.005 . 2 . . . . 34 LEU HB3 . 6805 1 444 . 1 1 34 34 LEU HG H 1 1.83 0.005 . 1 . . . . 34 LEU HG . 6805 1 445 . 1 1 34 34 LEU HD11 H 1 0.80 0.005 . 1 . . . . 34 LEU HD1 . 6805 1 446 . 1 1 34 34 LEU HD12 H 1 0.80 0.005 . 1 . . . . 34 LEU HD1 . 6805 1 447 . 1 1 34 34 LEU HD13 H 1 0.80 0.005 . 1 . . . . 34 LEU HD1 . 6805 1 448 . 1 1 34 34 LEU HD21 H 1 0.85 0.005 . 1 . . . . 34 LEU HD2 . 6805 1 449 . 1 1 34 34 LEU HD22 H 1 0.85 0.005 . 1 . . . . 34 LEU HD2 . 6805 1 450 . 1 1 34 34 LEU HD23 H 1 0.85 0.005 . 1 . . . . 34 LEU HD2 . 6805 1 451 . 1 1 34 34 LEU C C 13 178.0 0.05 . 1 . . . . 34 LEU C . 6805 1 452 . 1 1 34 34 LEU CA C 13 57.3 0.05 . 1 . . . . 34 LEU CA . 6805 1 453 . 1 1 34 34 LEU CB C 13 42.3 0.05 . 1 . . . . 34 LEU CB . 6805 1 454 . 1 1 34 34 LEU CG C 13 27.2 0.05 . 1 . . . . 34 LEU CG . 6805 1 455 . 1 1 34 34 LEU CD1 C 13 26.2 0.05 . 1 . . . . 34 LEU CD1 . 6805 1 456 . 1 1 34 34 LEU CD2 C 13 25.6 0.05 . 1 . . . . 34 LEU CD2 . 6805 1 457 . 1 1 34 34 LEU N N 15 123.5 0.05 . 1 . . . . 34 LEU N . 6805 1 458 . 1 1 35 35 ARG H H 1 8.03 0.005 . 1 . . . . 35 ARG H . 6805 1 459 . 1 1 35 35 ARG HA H 1 3.92 0.005 . 1 . . . . 35 ARG HA . 6805 1 460 . 1 1 35 35 ARG HB2 H 1 2.08 0.005 . 1 . . . . 35 ARG HB2 . 6805 1 461 . 1 1 35 35 ARG HB3 H 1 1.90 0.005 . 1 . . . . 35 ARG HB3 . 6805 1 462 . 1 1 35 35 ARG HG2 H 1 1.86 0.005 . 2 . . . . 35 ARG HG2 . 6805 1 463 . 1 1 35 35 ARG HG3 H 1 1.56 0.005 . 2 . . . . 35 ARG HG3 . 6805 1 464 . 1 1 35 35 ARG HD2 H 1 3.17 0.005 . 1 . . . . 35 ARG HD2 . 6805 1 465 . 1 1 35 35 ARG HD3 H 1 3.17 0.005 . 1 . . . . 35 ARG HD3 . 6805 1 466 . 1 1 35 35 ARG HE H 1 7.26 0.005 . 1 . . . . 35 ARG HE . 6805 1 467 . 1 1 35 35 ARG C C 13 177.9 0.05 . 1 . . . . 35 ARG C . 6805 1 468 . 1 1 35 35 ARG CA C 13 58.9 0.05 . 1 . . . . 35 ARG CA . 6805 1 469 . 1 1 35 35 ARG CB C 13 30.0 0.05 . 1 . . . . 35 ARG CB . 6805 1 470 . 1 1 35 35 ARG CG C 13 27.5 0.05 . 1 . . . . 35 ARG CG . 6805 1 471 . 1 1 35 35 ARG CD C 13 43.8 0.05 . 1 . . . . 35 ARG CD . 6805 1 472 . 1 1 35 35 ARG N N 15 119.0 0.05 . 1 . . . . 35 ARG N . 6805 1 473 . 1 1 35 35 ARG NE N 15 85.2 0.05 . 1 . . . . 35 ARG NE . 6805 1 474 . 1 1 36 36 ASP H H 1 7.60 0.005 . 1 . . . . 36 ASP H . 6805 1 475 . 1 1 36 36 ASP HA H 1 4.47 0.005 . 1 . . . . 36 ASP HA . 6805 1 476 . 1 1 36 36 ASP HB2 H 1 2.69 0.005 . 1 . . . . 36 ASP HB2 . 6805 1 477 . 1 1 36 36 ASP HB3 H 1 2.69 0.005 . 1 . . . . 36 ASP HB3 . 6805 1 478 . 1 1 36 36 ASP C C 13 176.9 0.05 . 1 . . . . 36 ASP C . 6805 1 479 . 1 1 36 36 ASP CA C 13 56.5 0.05 . 1 . . . . 36 ASP CA . 6805 1 480 . 1 1 36 36 ASP CB C 13 41.1 0.05 . 1 . . . . 36 ASP CB . 6805 1 481 . 1 1 36 36 ASP N N 15 118.2 0.05 . 1 . . . . 36 ASP N . 6805 1 482 . 1 1 37 37 ASP H H 1 7.61 0.005 . 1 . . . . 37 ASP H . 6805 1 483 . 1 1 37 37 ASP HA H 1 4.96 0.005 . 1 . . . . 37 ASP HA . 6805 1 484 . 1 1 37 37 ASP HB2 H 1 2.55 0.005 . 2 . . . . 37 ASP HB2 . 6805 1 485 . 1 1 37 37 ASP HB3 H 1 2.90 0.005 . 2 . . . . 37 ASP HB3 . 6805 1 486 . 1 1 37 37 ASP CA C 13 51.6 0.05 . 1 . . . . 37 ASP CA . 6805 1 487 . 1 1 37 37 ASP CB C 13 40.6 0.05 . 1 . . . . 37 ASP CB . 6805 1 488 . 1 1 37 37 ASP N N 15 114.8 0.05 . 1 . . . . 37 ASP N . 6805 1 489 . 1 1 38 38 PRO HA H 1 4.41 0.005 . 1 . . . . 38 PRO HA . 6805 1 490 . 1 1 38 38 PRO HB2 H 1 2.14 0.005 . 2 . . . . 38 PRO HB2 . 6805 1 491 . 1 1 38 38 PRO HB3 H 1 1.96 0.005 . 2 . . . . 38 PRO HB3 . 6805 1 492 . 1 1 38 38 PRO HG2 H 1 2.04 0.005 . 2 . . . . 38 PRO HG2 . 6805 1 493 . 1 1 38 38 PRO HG3 H 1 1.96 0.005 . 2 . . . . 38 PRO HG3 . 6805 1 494 . 1 1 38 38 PRO HD2 H 1 3.90 0.005 . 2 . . . . 38 PRO HD2 . 6805 1 495 . 1 1 38 38 PRO HD3 H 1 3.56 0.005 . 2 . . . . 38 PRO HD3 . 6805 1 496 . 1 1 38 38 PRO C C 13 178.5 0.05 . 1 . . . . 38 PRO C . 6805 1 497 . 1 1 38 38 PRO CA C 13 64.2 0.05 . 1 . . . . 38 PRO CA . 6805 1 498 . 1 1 38 38 PRO CB C 13 31.9 0.05 . 1 . . . . 38 PRO CB . 6805 1 499 . 1 1 38 38 PRO CG C 13 27.1 0.05 . 1 . . . . 38 PRO CG . 6805 1 500 . 1 1 38 38 PRO CD C 13 50.3 0.05 . 1 . . . . 38 PRO CD . 6805 1 501 . 1 1 39 39 SER H H 1 8.19 0.005 . 1 . . . . 39 SER H . 6805 1 502 . 1 1 39 39 SER HA H 1 3.72 0.005 . 1 . . . . 39 SER HA . 6805 1 503 . 1 1 39 39 SER HB2 H 1 3.74 0.005 . 1 . . . . 39 SER HB2 . 6805 1 504 . 1 1 39 39 SER HB3 H 1 3.74 0.005 . 1 . . . . 39 SER HB3 . 6805 1 505 . 1 1 39 39 SER C C 13 175.9 0.05 . 1 . . . . 39 SER C . 6805 1 506 . 1 1 39 39 SER CA C 13 61.0 0.05 . 1 . . . . 39 SER CA . 6805 1 507 . 1 1 39 39 SER CB C 13 62.6 0.05 . 1 . . . . 39 SER CB . 6805 1 508 . 1 1 39 39 SER N N 15 117.0 0.05 . 1 . . . . 39 SER N . 6805 1 509 . 1 1 40 40 GLN H H 1 7.48 0.005 . 1 . . . . 40 GLN H . 6805 1 510 . 1 1 40 40 GLN HA H 1 4.55 0.005 . 1 . . . . 40 GLN HA . 6805 1 511 . 1 1 40 40 GLN HB2 H 1 1.91 0.005 . 1 . . . . 40 GLN HB2 . 6805 1 512 . 1 1 40 40 GLN HB3 H 1 2.57 0.005 . 1 . . . . 40 GLN HB3 . 6805 1 513 . 1 1 40 40 GLN HG2 H 1 2.39 0.005 . 2 . . . . 40 GLN HG2 . 6805 1 514 . 1 1 40 40 GLN HG3 H 1 2.23 0.005 . 2 . . . . 40 GLN HG3 . 6805 1 515 . 1 1 40 40 GLN HE21 H 1 6.82 0.005 . 2 . . . . 40 GLN HE21 . 6805 1 516 . 1 1 40 40 GLN HE22 H 1 7.46 0.005 . 2 . . . . 40 GLN HE22 . 6805 1 517 . 1 1 40 40 GLN C C 13 175.9 0.05 . 1 . . . . 40 GLN C . 6805 1 518 . 1 1 40 40 GLN CA C 13 55.3 0.05 . 1 . . . . 40 GLN CA . 6805 1 519 . 1 1 40 40 GLN CB C 13 28.3 0.05 . 1 . . . . 40 GLN CB . 6805 1 520 . 1 1 40 40 GLN CG C 13 33.5 0.05 . 1 . . . . 40 GLN CG . 6805 1 521 . 1 1 40 40 GLN N N 15 120.7 0.05 . 1 . . . . 40 GLN N . 6805 1 522 . 1 1 40 40 GLN NE2 N 15 114.4 0.05 . 1 . . . . 40 GLN NE2 . 6805 1 523 . 1 1 41 41 SER H H 1 7.52 0.005 . 1 . . . . 41 SER H . 6805 1 524 . 1 1 41 41 SER HA H 1 3.87 0.005 . 1 . . . . 41 SER HA . 6805 1 525 . 1 1 41 41 SER HB2 H 1 3.90 0.005 . 2 . . . . 41 SER HB2 . 6805 1 526 . 1 1 41 41 SER HB3 H 1 3.73 0.005 . 2 . . . . 41 SER HB3 . 6805 1 527 . 1 1 41 41 SER C C 13 174.4 0.05 . 1 . . . . 41 SER C . 6805 1 528 . 1 1 41 41 SER CA C 13 63.8 0.05 . 1 . . . . 41 SER CA . 6805 1 529 . 1 1 41 41 SER CB C 13 63.2 0.05 . 1 . . . . 41 SER CB . 6805 1 530 . 1 1 41 41 SER N N 15 116.4 0.05 . 1 . . . . 41 SER N . 6805 1 531 . 1 1 42 42 ALA H H 1 8.53 0.005 . 1 . . . . 42 ALA H . 6805 1 532 . 1 1 42 42 ALA HA H 1 4.08 0.005 . 1 . . . . 42 ALA HA . 6805 1 533 . 1 1 42 42 ALA HB1 H 1 1.41 0.005 . 1 . . . . 42 ALA HB . 6805 1 534 . 1 1 42 42 ALA HB2 H 1 1.41 0.005 . 1 . . . . 42 ALA HB . 6805 1 535 . 1 1 42 42 ALA HB3 H 1 1.41 0.005 . 1 . . . . 42 ALA HB . 6805 1 536 . 1 1 42 42 ALA C C 13 181.0 0.05 . 1 . . . . 42 ALA C . 6805 1 537 . 1 1 42 42 ALA CA C 13 55.6 0.05 . 1 . . . . 42 ALA CA . 6805 1 538 . 1 1 42 42 ALA CB C 13 17.6 0.05 . 1 . . . . 42 ALA CB . 6805 1 539 . 1 1 42 42 ALA N N 15 123.4 0.05 . 1 . . . . 42 ALA N . 6805 1 540 . 1 1 43 43 ASN H H 1 8.05 0.005 . 1 . . . . 43 ASN H . 6805 1 541 . 1 1 43 43 ASN HA H 1 4.48 0.005 . 1 . . . . 43 ASN HA . 6805 1 542 . 1 1 43 43 ASN HB2 H 1 2.85 0.005 . 1 . . . . 43 ASN HB2 . 6805 1 543 . 1 1 43 43 ASN HB3 H 1 2.85 0.005 . 1 . . . . 43 ASN HB3 . 6805 1 544 . 1 1 43 43 ASN HD21 H 1 6.96 0.005 . 2 . . . . 43 ASN HD21 . 6805 1 545 . 1 1 43 43 ASN HD22 H 1 7.72 0.005 . 2 . . . . 43 ASN HD22 . 6805 1 546 . 1 1 43 43 ASN C C 13 178.0 0.05 . 1 . . . . 43 ASN C . 6805 1 547 . 1 1 43 43 ASN CA C 13 56.0 0.05 . 1 . . . . 43 ASN CA . 6805 1 548 . 1 1 43 43 ASN CB C 13 38.1 0.05 . 1 . . . . 43 ASN CB . 6805 1 549 . 1 1 43 43 ASN N N 15 119.1 0.05 . 1 . . . . 43 ASN N . 6805 1 550 . 1 1 43 43 ASN ND2 N 15 113.4 0.05 . 1 . . . . 43 ASN ND2 . 6805 1 551 . 1 1 44 44 LEU H H 1 8.66 0.005 . 1 . . . . 44 LEU H . 6805 1 552 . 1 1 44 44 LEU HA H 1 4.19 0.005 . 1 . . . . 44 LEU HA . 6805 1 553 . 1 1 44 44 LEU HB2 H 1 1.81 0.005 . 1 . . . . 44 LEU HB2 . 6805 1 554 . 1 1 44 44 LEU HB3 H 1 1.33 0.005 . 1 . . . . 44 LEU HB3 . 6805 1 555 . 1 1 44 44 LEU HG H 1 1.86 0.005 . 1 . . . . 44 LEU HG . 6805 1 556 . 1 1 44 44 LEU HD11 H 1 0.85 0.005 . 1 . . . . 44 LEU HD1 . 6805 1 557 . 1 1 44 44 LEU HD12 H 1 0.85 0.005 . 1 . . . . 44 LEU HD1 . 6805 1 558 . 1 1 44 44 LEU HD13 H 1 0.85 0.005 . 1 . . . . 44 LEU HD1 . 6805 1 559 . 1 1 44 44 LEU HD21 H 1 1.03 0.005 . 1 . . . . 44 LEU HD2 . 6805 1 560 . 1 1 44 44 LEU HD22 H 1 1.03 0.005 . 1 . . . . 44 LEU HD2 . 6805 1 561 . 1 1 44 44 LEU HD23 H 1 1.03 0.005 . 1 . . . . 44 LEU HD2 . 6805 1 562 . 1 1 44 44 LEU C C 13 178.7 0.05 . 1 . . . . 44 LEU C . 6805 1 563 . 1 1 44 44 LEU CA C 13 57.9 0.05 . 1 . . . . 44 LEU CA . 6805 1 564 . 1 1 44 44 LEU CB C 13 41.7 0.05 . 1 . . . . 44 LEU CB . 6805 1 565 . 1 1 44 44 LEU CG C 13 27.4 0.05 . 1 . . . . 44 LEU CG . 6805 1 566 . 1 1 44 44 LEU CD1 C 13 26.0 0.05 . 1 . . . . 44 LEU CD1 . 6805 1 567 . 1 1 44 44 LEU CD2 C 13 23.4 0.05 . 1 . . . . 44 LEU CD2 . 6805 1 568 . 1 1 44 44 LEU N N 15 122.3 0.05 . 1 . . . . 44 LEU N . 6805 1 569 . 1 1 45 45 LEU H H 1 8.33 0.005 . 1 . . . . 45 LEU H . 6805 1 570 . 1 1 45 45 LEU HA H 1 3.82 0.005 . 1 . . . . 45 LEU HA . 6805 1 571 . 1 1 45 45 LEU HB2 H 1 1.81 0.005 . 2 . . . . 45 LEU HB2 . 6805 1 572 . 1 1 45 45 LEU HB3 H 1 1.51 0.005 . 2 . . . . 45 LEU HB3 . 6805 1 573 . 1 1 45 45 LEU HG H 1 1.55 0.005 . 1 . . . . 45 LEU HG . 6805 1 574 . 1 1 45 45 LEU HD11 H 1 0.86 0.005 . 1 . . . . 45 LEU HD1 . 6805 1 575 . 1 1 45 45 LEU HD12 H 1 0.86 0.005 . 1 . . . . 45 LEU HD1 . 6805 1 576 . 1 1 45 45 LEU HD13 H 1 0.86 0.005 . 1 . . . . 45 LEU HD1 . 6805 1 577 . 1 1 45 45 LEU HD21 H 1 0.86 0.005 . 1 . . . . 45 LEU HD2 . 6805 1 578 . 1 1 45 45 LEU HD22 H 1 0.86 0.005 . 1 . . . . 45 LEU HD2 . 6805 1 579 . 1 1 45 45 LEU HD23 H 1 0.86 0.005 . 1 . . . . 45 LEU HD2 . 6805 1 580 . 1 1 45 45 LEU C C 13 178.2 0.05 . 1 . . . . 45 LEU C . 6805 1 581 . 1 1 45 45 LEU CA C 13 58.0 0.05 . 1 . . . . 45 LEU CA . 6805 1 582 . 1 1 45 45 LEU CB C 13 41.5 0.05 . 1 . . . . 45 LEU CB . 6805 1 583 . 1 1 45 45 LEU CG C 13 27.2 0.05 . 1 . . . . 45 LEU CG . 6805 1 584 . 1 1 45 45 LEU CD1 C 13 23.9 0.05 . 1 . . . . 45 LEU CD1 . 6805 1 585 . 1 1 45 45 LEU CD2 C 13 25.1 0.05 . 1 . . . . 45 LEU CD2 . 6805 1 586 . 1 1 45 45 LEU N N 15 120.4 0.05 . 1 . . . . 45 LEU N . 6805 1 587 . 1 1 46 46 ALA H H 1 7.56 0.005 . 1 . . . . 46 ALA H . 6805 1 588 . 1 1 46 46 ALA HA H 1 4.03 0.005 . 1 . . . . 46 ALA HA . 6805 1 589 . 1 1 46 46 ALA HB1 H 1 1.53 0.005 . 1 . . . . 46 ALA HB . 6805 1 590 . 1 1 46 46 ALA HB2 H 1 1.53 0.005 . 1 . . . . 46 ALA HB . 6805 1 591 . 1 1 46 46 ALA HB3 H 1 1.53 0.005 . 1 . . . . 46 ALA HB . 6805 1 592 . 1 1 46 46 ALA C C 13 181.2 0.05 . 1 . . . . 46 ALA C . 6805 1 593 . 1 1 46 46 ALA CA C 13 55.4 0.05 . 1 . . . . 46 ALA CA . 6805 1 594 . 1 1 46 46 ALA CB C 13 17.7 0.05 . 1 . . . . 46 ALA CB . 6805 1 595 . 1 1 46 46 ALA N N 15 120.7 0.05 . 1 . . . . 46 ALA N . 6805 1 596 . 1 1 47 47 GLU H H 1 8.04 0.005 . 1 . . . . 47 GLU H . 6805 1 597 . 1 1 47 47 GLU HA H 1 4.03 0.005 . 1 . . . . 47 GLU HA . 6805 1 598 . 1 1 47 47 GLU HB2 H 1 2.27 0.005 . 1 . . . . 47 GLU HB2 . 6805 1 599 . 1 1 47 47 GLU HB3 H 1 2.27 0.005 . 1 . . . . 47 GLU HB3 . 6805 1 600 . 1 1 47 47 GLU HG2 H 1 2.46 0.005 . 2 . . . . 47 GLU HG2 . 6805 1 601 . 1 1 47 47 GLU HG3 H 1 2.44 0.005 . 2 . . . . 47 GLU HG3 . 6805 1 602 . 1 1 47 47 GLU C C 13 179.0 0.05 . 1 . . . . 47 GLU C . 6805 1 603 . 1 1 47 47 GLU CA C 13 59.3 0.05 . 1 . . . . 47 GLU CA . 6805 1 604 . 1 1 47 47 GLU CB C 13 29.5 0.05 . 1 . . . . 47 GLU CB . 6805 1 605 . 1 1 47 47 GLU CG C 13 35.8 0.05 . 1 . . . . 47 GLU CG . 6805 1 606 . 1 1 47 47 GLU N N 15 120.6 0.05 . 1 . . . . 47 GLU N . 6805 1 607 . 1 1 48 48 ALA H H 1 8.51 0.005 . 1 . . . . 48 ALA H . 6805 1 608 . 1 1 48 48 ALA HA H 1 3.66 0.005 . 1 . . . . 48 ALA HA . 6805 1 609 . 1 1 48 48 ALA HB1 H 1 0.59 0.005 . 1 . . . . 48 ALA HB . 6805 1 610 . 1 1 48 48 ALA HB2 H 1 0.59 0.005 . 1 . . . . 48 ALA HB . 6805 1 611 . 1 1 48 48 ALA HB3 H 1 0.59 0.005 . 1 . . . . 48 ALA HB . 6805 1 612 . 1 1 48 48 ALA C C 13 179.5 0.05 . 1 . . . . 48 ALA C . 6805 1 613 . 1 1 48 48 ALA CA C 13 55.4 0.05 . 1 . . . . 48 ALA CA . 6805 1 614 . 1 1 48 48 ALA CB C 13 17.5 0.05 . 1 . . . . 48 ALA CB . 6805 1 615 . 1 1 48 48 ALA N N 15 124.5 0.05 . 1 . . . . 48 ALA N . 6805 1 616 . 1 1 49 49 LYS H H 1 8.31 0.005 . 1 . . . . 49 LYS H . 6805 1 617 . 1 1 49 49 LYS HA H 1 3.78 0.005 . 1 . . . . 49 LYS HA . 6805 1 618 . 1 1 49 49 LYS HB2 H 1 1.81 0.005 . 1 . . . . 49 LYS HB2 . 6805 1 619 . 1 1 49 49 LYS HB3 H 1 1.95 0.005 . 1 . . . . 49 LYS HB3 . 6805 1 620 . 1 1 49 49 LYS HG2 H 1 1.59 0.005 . 2 . . . . 49 LYS HG2 . 6805 1 621 . 1 1 49 49 LYS HG3 H 1 1.34 0.005 . 2 . . . . 49 LYS HG3 . 6805 1 622 . 1 1 49 49 LYS HD2 H 1 1.66 0.005 . 2 . . . . 49 LYS HD2 . 6805 1 623 . 1 1 49 49 LYS HD3 H 1 1.60 0.005 . 2 . . . . 49 LYS HD3 . 6805 1 624 . 1 1 49 49 LYS HE2 H 1 2.95 0.005 . 2 . . . . 49 LYS HE2 . 6805 1 625 . 1 1 49 49 LYS HE3 H 1 2.81 0.005 . 2 . . . . 49 LYS HE3 . 6805 1 626 . 1 1 49 49 LYS C C 13 178.8 0.05 . 1 . . . . 49 LYS C . 6805 1 627 . 1 1 49 49 LYS CA C 13 60.3 0.05 . 1 . . . . 49 LYS CA . 6805 1 628 . 1 1 49 49 LYS CB C 13 32.3 0.05 . 1 . . . . 49 LYS CB . 6805 1 629 . 1 1 49 49 LYS CG C 13 26.6 0.05 . 1 . . . . 49 LYS CG . 6805 1 630 . 1 1 49 49 LYS CD C 13 29.4 0.05 . 1 . . . . 49 LYS CD . 6805 1 631 . 1 1 49 49 LYS CE C 13 41.9 0.05 . 1 . . . . 49 LYS CE . 6805 1 632 . 1 1 49 49 LYS N N 15 118.9 0.05 . 1 . . . . 49 LYS N . 6805 1 633 . 1 1 50 50 LYS H H 1 7.69 0.005 . 1 . . . . 50 LYS H . 6805 1 634 . 1 1 50 50 LYS HA H 1 4.12 0.005 . 1 . . . . 50 LYS HA . 6805 1 635 . 1 1 50 50 LYS HB2 H 1 1.95 0.005 . 1 . . . . 50 LYS HB2 . 6805 1 636 . 1 1 50 50 LYS HB3 H 1 1.95 0.005 . 1 . . . . 50 LYS HB3 . 6805 1 637 . 1 1 50 50 LYS HG2 H 1 1.62 0.005 . 2 . . . . 50 LYS HG2 . 6805 1 638 . 1 1 50 50 LYS HG3 H 1 1.42 0.005 . 2 . . . . 50 LYS HG3 . 6805 1 639 . 1 1 50 50 LYS HD2 H 1 1.71 0.005 . 1 . . . . 50 LYS HD2 . 6805 1 640 . 1 1 50 50 LYS HD3 H 1 1.71 0.005 . 1 . . . . 50 LYS HD3 . 6805 1 641 . 1 1 50 50 LYS HE2 H 1 2.93 0.005 . 1 . . . . 50 LYS HE2 . 6805 1 642 . 1 1 50 50 LYS HE3 H 1 2.93 0.005 . 1 . . . . 50 LYS HE3 . 6805 1 643 . 1 1 50 50 LYS C C 13 179.9 0.05 . 1 . . . . 50 LYS C . 6805 1 644 . 1 1 50 50 LYS CA C 13 59.6 0.05 . 1 . . . . 50 LYS CA . 6805 1 645 . 1 1 50 50 LYS CB C 13 32.5 0.05 . 1 . . . . 50 LYS CB . 6805 1 646 . 1 1 50 50 LYS CG C 13 25.1 0.05 . 1 . . . . 50 LYS CG . 6805 1 647 . 1 1 50 50 LYS CD C 13 29.6 0.05 . 1 . . . . 50 LYS CD . 6805 1 648 . 1 1 50 50 LYS CE C 13 42.0 0.05 . 1 . . . . 50 LYS CE . 6805 1 649 . 1 1 50 50 LYS N N 15 121.0 0.05 . 1 . . . . 50 LYS N . 6805 1 650 . 1 1 51 51 LEU H H 1 8.14 0.005 . 1 . . . . 51 LEU H . 6805 1 651 . 1 1 51 51 LEU HA H 1 4.14 0.005 . 1 . . . . 51 LEU HA . 6805 1 652 . 1 1 51 51 LEU HB2 H 1 1.73 0.005 . 1 . . . . 51 LEU HB2 . 6805 1 653 . 1 1 51 51 LEU HB3 H 1 1.73 0.005 . 1 . . . . 51 LEU HB3 . 6805 1 654 . 1 1 51 51 LEU HG H 1 1.58 0.005 . 1 . . . . 51 LEU HG . 6805 1 655 . 1 1 51 51 LEU HD11 H 1 0.97 0.005 . 1 . . . . 51 LEU HD1 . 6805 1 656 . 1 1 51 51 LEU HD12 H 1 0.97 0.005 . 1 . . . . 51 LEU HD1 . 6805 1 657 . 1 1 51 51 LEU HD13 H 1 0.97 0.005 . 1 . . . . 51 LEU HD1 . 6805 1 658 . 1 1 51 51 LEU HD21 H 1 0.97 0.005 . 1 . . . . 51 LEU HD2 . 6805 1 659 . 1 1 51 51 LEU HD22 H 1 0.97 0.005 . 1 . . . . 51 LEU HD2 . 6805 1 660 . 1 1 51 51 LEU HD23 H 1 0.97 0.005 . 1 . . . . 51 LEU HD2 . 6805 1 661 . 1 1 51 51 LEU C C 13 178.2 0.05 . 1 . . . . 51 LEU C . 6805 1 662 . 1 1 51 51 LEU CA C 13 57.7 0.05 . 1 . . . . 51 LEU CA . 6805 1 663 . 1 1 51 51 LEU CB C 13 42.1 0.05 . 1 . . . . 51 LEU CB . 6805 1 664 . 1 1 51 51 LEU CG C 13 26.8 0.05 . 1 . . . . 51 LEU CG . 6805 1 665 . 1 1 51 51 LEU CD1 C 13 24.0 0.05 . 1 . . . . 51 LEU CD1 . 6805 1 666 . 1 1 51 51 LEU CD2 C 13 24.6 0.05 . 1 . . . . 51 LEU CD2 . 6805 1 667 . 1 1 51 51 LEU N N 15 123.2 0.05 . 1 . . . . 51 LEU N . 6805 1 668 . 1 1 52 52 ASN H H 1 8.57 0.005 . 1 . . . . 52 ASN H . 6805 1 669 . 1 1 52 52 ASN HA H 1 3.93 0.005 . 1 . . . . 52 ASN HA . 6805 1 670 . 1 1 52 52 ASN HB2 H 1 3.09 0.005 . 2 . . . . 52 ASN HB2 . 6805 1 671 . 1 1 52 52 ASN HB3 H 1 2.40 0.005 . 2 . . . . 52 ASN HB3 . 6805 1 672 . 1 1 52 52 ASN HD21 H 1 6.84 0.005 . 2 . . . . 52 ASN HD21 . 6805 1 673 . 1 1 52 52 ASN HD22 H 1 7.94 0.005 . 2 . . . . 52 ASN HD22 . 6805 1 674 . 1 1 52 52 ASN C C 13 177.6 0.05 . 1 . . . . 52 ASN C . 6805 1 675 . 1 1 52 52 ASN CA C 13 58.1 0.05 . 1 . . . . 52 ASN CA . 6805 1 676 . 1 1 52 52 ASN CB C 13 41.6 0.05 . 1 . . . . 52 ASN CB . 6805 1 677 . 1 1 52 52 ASN N N 15 117.6 0.05 . 1 . . . . 52 ASN N . 6805 1 678 . 1 1 52 52 ASN ND2 N 15 116.8 0.05 . 1 . . . . 52 ASN ND2 . 6805 1 679 . 1 1 53 53 ASP H H 1 8.06 0.005 . 1 . . . . 53 ASP H . 6805 1 680 . 1 1 53 53 ASP HA H 1 4.47 0.005 . 1 . . . . 53 ASP HA . 6805 1 681 . 1 1 53 53 ASP HB2 H 1 2.77 0.005 . 2 . . . . 53 ASP HB2 . 6805 1 682 . 1 1 53 53 ASP HB3 H 1 2.72 0.005 . 2 . . . . 53 ASP HB3 . 6805 1 683 . 1 1 53 53 ASP C C 13 178.9 0.05 . 1 . . . . 53 ASP C . 6805 1 684 . 1 1 53 53 ASP CA C 13 57.0 0.05 . 1 . . . . 53 ASP CA . 6805 1 685 . 1 1 53 53 ASP CB C 13 40.0 0.05 . 1 . . . . 53 ASP CB . 6805 1 686 . 1 1 53 53 ASP N N 15 119.5 0.05 . 1 . . . . 53 ASP N . 6805 1 687 . 1 1 54 54 ALA H H 1 8.05 0.005 . 1 . . . . 54 ALA H . 6805 1 688 . 1 1 54 54 ALA HA H 1 4.23 0.005 . 1 . . . . 54 ALA HA . 6805 1 689 . 1 1 54 54 ALA HB1 H 1 1.58 0.005 . 1 . . . . 54 ALA HB . 6805 1 690 . 1 1 54 54 ALA HB2 H 1 1.58 0.005 . 1 . . . . 54 ALA HB . 6805 1 691 . 1 1 54 54 ALA HB3 H 1 1.58 0.005 . 1 . . . . 54 ALA HB . 6805 1 692 . 1 1 54 54 ALA C C 13 179.4 0.05 . 1 . . . . 54 ALA C . 6805 1 693 . 1 1 54 54 ALA CA C 13 54.3 0.05 . 1 . . . . 54 ALA CA . 6805 1 694 . 1 1 54 54 ALA CB C 13 18.5 0.05 . 1 . . . . 54 ALA CB . 6805 1 695 . 1 1 54 54 ALA N N 15 123.6 0.05 . 1 . . . . 54 ALA N . 6805 1 696 . 1 1 55 55 GLN H H 1 7.55 0.005 . 1 . . . . 55 GLN H . 6805 1 697 . 1 1 55 55 GLN HA H 1 4.37 0.005 . 1 . . . . 55 GLN HA . 6805 1 698 . 1 1 55 55 GLN HB2 H 1 1.74 0.005 . 1 . . . . 55 GLN HB2 . 6805 1 699 . 1 1 55 55 GLN HB3 H 1 2.49 0.005 . 1 . . . . 55 GLN HB3 . 6805 1 700 . 1 1 55 55 GLN HG2 H 1 2.63 0.005 . 2 . . . . 55 GLN HG2 . 6805 1 701 . 1 1 55 55 GLN HG3 H 1 2.32 0.005 . 2 . . . . 55 GLN HG3 . 6805 1 702 . 1 1 55 55 GLN HE21 H 1 7.22 0.005 . 2 . . . . 55 GLN HE21 . 6805 1 703 . 1 1 55 55 GLN HE22 H 1 8.68 0.005 . 2 . . . . 55 GLN HE22 . 6805 1 704 . 1 1 55 55 GLN C C 13 174.1 0.05 . 1 . . . . 55 GLN C . 6805 1 705 . 1 1 55 55 GLN CA C 13 55.0 0.05 . 1 . . . . 55 GLN CA . 6805 1 706 . 1 1 55 55 GLN CB C 13 28.2 0.05 . 1 . . . . 55 GLN CB . 6805 1 707 . 1 1 55 55 GLN CG C 13 35.7 0.05 . 1 . . . . 55 GLN CG . 6805 1 708 . 1 1 55 55 GLN N N 15 115.7 0.05 . 1 . . . . 55 GLN N . 6805 1 709 . 1 1 55 55 GLN NE2 N 15 111.7 0.05 . 1 . . . . 55 GLN NE2 . 6805 1 710 . 1 1 56 56 ALA H H 1 7.09 0.005 . 1 . . . . 56 ALA H . 6805 1 711 . 1 1 56 56 ALA HA H 1 4.34 0.005 . 1 . . . . 56 ALA HA . 6805 1 712 . 1 1 56 56 ALA HB1 H 1 1.43 0.005 . 1 . . . . 56 ALA HB . 6805 1 713 . 1 1 56 56 ALA HB2 H 1 1.43 0.005 . 1 . . . . 56 ALA HB . 6805 1 714 . 1 1 56 56 ALA HB3 H 1 1.43 0.005 . 1 . . . . 56 ALA HB . 6805 1 715 . 1 1 56 56 ALA C C 13 175.5 0.05 . 1 . . . . 56 ALA C . 6805 1 716 . 1 1 56 56 ALA CA C 13 51.0 0.05 . 1 . . . . 56 ALA CA . 6805 1 717 . 1 1 56 56 ALA CB C 13 17.9 0.05 . 1 . . . . 56 ALA CB . 6805 1 718 . 1 1 56 56 ALA N N 15 125.2 0.05 . 1 . . . . 56 ALA N . 6805 1 719 . 1 1 57 57 PRO HA H 1 4.42 0.005 . 1 . . . . 57 PRO HA . 6805 1 720 . 1 1 57 57 PRO HB2 H 1 2.30 0.005 . 2 . . . . 57 PRO HB2 . 6805 1 721 . 1 1 57 57 PRO HB3 H 1 1.96 0.005 . 2 . . . . 57 PRO HB3 . 6805 1 722 . 1 1 57 57 PRO HG2 H 1 2.10 0.005 . 2 . . . . 57 PRO HG2 . 6805 1 723 . 1 1 57 57 PRO HG3 H 1 2.06 0.005 . 2 . . . . 57 PRO HG3 . 6805 1 724 . 1 1 57 57 PRO HD2 H 1 3.79 0.005 . 2 . . . . 57 PRO HD2 . 6805 1 725 . 1 1 57 57 PRO HD3 H 1 3.62 0.005 . 2 . . . . 57 PRO HD3 . 6805 1 726 . 1 1 57 57 PRO C C 13 176.1 0.05 . 1 . . . . 57 PRO C . 6805 1 727 . 1 1 57 57 PRO CA C 13 63.3 0.05 . 1 . . . . 57 PRO CA . 6805 1 728 . 1 1 57 57 PRO CB C 13 32.0 0.05 . 1 . . . . 57 PRO CB . 6805 1 729 . 1 1 57 57 PRO CG C 13 27.5 0.05 . 1 . . . . 57 PRO CG . 6805 1 730 . 1 1 57 57 PRO CD C 13 50.6 0.05 . 1 . . . . 57 PRO CD . 6805 1 731 . 1 1 58 58 LYS H H 1 8.04 0.005 . 1 . . . . 58 LYS H . 6805 1 732 . 1 1 58 58 LYS HA H 1 4.17 0.005 . 1 . . . . 58 LYS HA . 6805 1 733 . 1 1 58 58 LYS HB2 H 1 1.70 0.005 . 1 . . . . 58 LYS HB2 . 6805 1 734 . 1 1 58 58 LYS HB3 H 1 1.85 0.005 . 1 . . . . 58 LYS HB3 . 6805 1 735 . 1 1 58 58 LYS HG2 H 1 1.43 0.005 . 1 . . . . 58 LYS HG2 . 6805 1 736 . 1 1 58 58 LYS HG3 H 1 1.43 0.005 . 1 . . . . 58 LYS HG3 . 6805 1 737 . 1 1 58 58 LYS HD2 H 1 1.68 0.005 . 1 . . . . 58 LYS HD2 . 6805 1 738 . 1 1 58 58 LYS HD3 H 1 1.68 0.005 . 1 . . . . 58 LYS HD3 . 6805 1 739 . 1 1 58 58 LYS HE2 H 1 3.02 0.005 . 1 . . . . 58 LYS HE2 . 6805 1 740 . 1 1 58 58 LYS HE3 H 1 3.02 0.005 . 1 . . . . 58 LYS HE3 . 6805 1 741 . 1 1 58 58 LYS C C 13 181.5 0.05 . 1 . . . . 58 LYS C . 6805 1 742 . 1 1 58 58 LYS CA C 13 57.6 0.05 . 1 . . . . 58 LYS CA . 6805 1 743 . 1 1 58 58 LYS CB C 13 33.8 0.05 . 1 . . . . 58 LYS CB . 6805 1 744 . 1 1 58 58 LYS CG C 13 24.6 0.05 . 1 . . . . 58 LYS CG . 6805 1 745 . 1 1 58 58 LYS CD C 13 29.0 0.05 . 1 . . . . 58 LYS CD . 6805 1 746 . 1 1 58 58 LYS CE C 13 42.3 0.05 . 1 . . . . 58 LYS CE . 6805 1 747 . 1 1 58 58 LYS N N 15 128.1 0.05 . 1 . . . . 58 LYS N . 6805 1 stop_ save_