data_6899 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6899 _Entry.Title ; Native PAH2 domain of Mm. mSin3B ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-14 _Entry.Accession_date 2005-11-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details 'Chemical shift assignments and relaxation data.' _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 Hugo 'van Ingen' . . . 6899 2 Geerten Vuister . W. . 6899 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6899 heteronucl_NOEs 1 6899 heteronucl_T1_relaxation 1 6899 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 338 6899 '15N chemical shifts' 107 6899 '1H chemical shifts' 622 6899 'T1 relaxation values' 70 6899 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-11 . update BMRB 'residue name for residue 94 corrected in relaxation save frames' 6899 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 5457 'chemical shift data of Mad1-complex' 6899 BMRB 5808 'relaxation data of MAd1-complex' 6899 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6899 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16519900 _Citation.Full_citation . _Citation.Title ; Role of Structural and Dynamical Plasticity in Sin3: The Free PAH2 Domain is a Folded Module in mSin3B ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 358 _Citation.Journal_issue 2 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 485 _Citation.Page_last 497 _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 Hugo 'van Ingen' . . . 6899 1 2 Maria Baltussen . . . 6899 1 3 Jan Aelen . . . 6899 1 4 Geerten Vuister . W. . 6899 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6899 _Assembly.ID 1 _Assembly.Name 'PAH2 domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 6899 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'PAH2 domain' 1 $PAH2 . . . native . . . . . 6899 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'PAH2 domain' abbreviation 6899 1 'PAH2 domain' system 6899 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PAH2 _Entity.Sf_category entity _Entity.Sf_framecode PAH2 _Entity.Entry_ID 6899 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'PAH2 domain' _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 ; ESDSVEFNNAISYVNKIKTR FLDHPEIYRSFLEILHTYQK EQLHTKGRPFRGMSEEEVFT EVANLFRGQEDLLSEFGQFL PEAKRSLFTGNGSAEMNSGQ KNEEK ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _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 . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'PAH2 domain' common 6899 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 . GLU . 6899 1 2 . SER . 6899 1 3 . ASP . 6899 1 4 . SER . 6899 1 5 . VAL . 6899 1 6 . GLU . 6899 1 7 . PHE . 6899 1 8 . ASN . 6899 1 9 . ASN . 6899 1 10 . ALA . 6899 1 11 . ILE . 6899 1 12 . SER . 6899 1 13 . TYR . 6899 1 14 . VAL . 6899 1 15 . ASN . 6899 1 16 . LYS . 6899 1 17 . ILE . 6899 1 18 . LYS . 6899 1 19 . THR . 6899 1 20 . ARG . 6899 1 21 . PHE . 6899 1 22 . LEU . 6899 1 23 . ASP . 6899 1 24 . HIS . 6899 1 25 . PRO . 6899 1 26 . GLU . 6899 1 27 . ILE . 6899 1 28 . TYR . 6899 1 29 . ARG . 6899 1 30 . SER . 6899 1 31 . PHE . 6899 1 32 . LEU . 6899 1 33 . GLU . 6899 1 34 . ILE . 6899 1 35 . LEU . 6899 1 36 . HIS . 6899 1 37 . THR . 6899 1 38 . TYR . 6899 1 39 . GLN . 6899 1 40 . LYS . 6899 1 41 . GLU . 6899 1 42 . GLN . 6899 1 43 . LEU . 6899 1 44 . HIS . 6899 1 45 . THR . 6899 1 46 . LYS . 6899 1 47 . GLY . 6899 1 48 . ARG . 6899 1 49 . PRO . 6899 1 50 . PHE . 6899 1 51 . ARG . 6899 1 52 . GLY . 6899 1 53 . MET . 6899 1 54 . SER . 6899 1 55 . GLU . 6899 1 56 . GLU . 6899 1 57 . GLU . 6899 1 58 . VAL . 6899 1 59 . PHE . 6899 1 60 . THR . 6899 1 61 . GLU . 6899 1 62 . VAL . 6899 1 63 . ALA . 6899 1 64 . ASN . 6899 1 65 . LEU . 6899 1 66 . PHE . 6899 1 67 . ARG . 6899 1 68 . GLY . 6899 1 69 . GLN . 6899 1 70 . GLU . 6899 1 71 . ASP . 6899 1 72 . LEU . 6899 1 73 . LEU . 6899 1 74 . SER . 6899 1 75 . GLU . 6899 1 76 . PHE . 6899 1 77 . GLY . 6899 1 78 . GLN . 6899 1 79 . PHE . 6899 1 80 . LEU . 6899 1 81 . PRO . 6899 1 82 . GLU . 6899 1 83 . ALA . 6899 1 84 . LYS . 6899 1 85 . ARG . 6899 1 86 . SER . 6899 1 87 . LEU . 6899 1 88 . PHE . 6899 1 89 . THR . 6899 1 90 . GLY . 6899 1 91 . ASN . 6899 1 92 . GLY . 6899 1 93 . SER . 6899 1 94 . ALA . 6899 1 95 . GLU . 6899 1 96 . MET . 6899 1 97 . ASN . 6899 1 98 . SER . 6899 1 99 . GLY . 6899 1 100 . GLN . 6899 1 101 . LYS . 6899 1 102 . ASN . 6899 1 103 . GLU . 6899 1 104 . GLU . 6899 1 105 . LYS . 6899 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 . GLU 1 1 6899 1 . SER 2 2 6899 1 . ASP 3 3 6899 1 . SER 4 4 6899 1 . VAL 5 5 6899 1 . GLU 6 6 6899 1 . PHE 7 7 6899 1 . ASN 8 8 6899 1 . ASN 9 9 6899 1 . ALA 10 10 6899 1 . ILE 11 11 6899 1 . SER 12 12 6899 1 . TYR 13 13 6899 1 . VAL 14 14 6899 1 . ASN 15 15 6899 1 . LYS 16 16 6899 1 . ILE 17 17 6899 1 . LYS 18 18 6899 1 . THR 19 19 6899 1 . ARG 20 20 6899 1 . PHE 21 21 6899 1 . LEU 22 22 6899 1 . ASP 23 23 6899 1 . HIS 24 24 6899 1 . PRO 25 25 6899 1 . GLU 26 26 6899 1 . ILE 27 27 6899 1 . TYR 28 28 6899 1 . ARG 29 29 6899 1 . SER 30 30 6899 1 . PHE 31 31 6899 1 . LEU 32 32 6899 1 . GLU 33 33 6899 1 . ILE 34 34 6899 1 . LEU 35 35 6899 1 . HIS 36 36 6899 1 . THR 37 37 6899 1 . TYR 38 38 6899 1 . GLN 39 39 6899 1 . LYS 40 40 6899 1 . GLU 41 41 6899 1 . GLN 42 42 6899 1 . LEU 43 43 6899 1 . HIS 44 44 6899 1 . THR 45 45 6899 1 . LYS 46 46 6899 1 . GLY 47 47 6899 1 . ARG 48 48 6899 1 . PRO 49 49 6899 1 . PHE 50 50 6899 1 . ARG 51 51 6899 1 . GLY 52 52 6899 1 . MET 53 53 6899 1 . SER 54 54 6899 1 . GLU 55 55 6899 1 . GLU 56 56 6899 1 . GLU 57 57 6899 1 . VAL 58 58 6899 1 . PHE 59 59 6899 1 . THR 60 60 6899 1 . GLU 61 61 6899 1 . VAL 62 62 6899 1 . ALA 63 63 6899 1 . ASN 64 64 6899 1 . LEU 65 65 6899 1 . PHE 66 66 6899 1 . ARG 67 67 6899 1 . GLY 68 68 6899 1 . GLN 69 69 6899 1 . GLU 70 70 6899 1 . ASP 71 71 6899 1 . LEU 72 72 6899 1 . LEU 73 73 6899 1 . SER 74 74 6899 1 . GLU 75 75 6899 1 . PHE 76 76 6899 1 . GLY 77 77 6899 1 . GLN 78 78 6899 1 . PHE 79 79 6899 1 . LEU 80 80 6899 1 . PRO 81 81 6899 1 . GLU 82 82 6899 1 . ALA 83 83 6899 1 . LYS 84 84 6899 1 . ARG 85 85 6899 1 . SER 86 86 6899 1 . LEU 87 87 6899 1 . PHE 88 88 6899 1 . THR 89 89 6899 1 . GLY 90 90 6899 1 . ASN 91 91 6899 1 . GLY 92 92 6899 1 . SER 93 93 6899 1 . ALA 94 94 6899 1 . GLU 95 95 6899 1 . MET 96 96 6899 1 . ASN 97 97 6899 1 . SER 98 98 6899 1 . GLY 99 99 6899 1 . GLN 100 100 6899 1 . LYS 101 101 6899 1 . ASN 102 102 6899 1 . GLU 103 103 6899 1 . GLU 104 104 6899 1 . LYS 105 105 6899 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 6899 _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 $PAH2 . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 6899 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 6899 _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 $PAH2 . 'recombinant technology' . 'E. Coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6899 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6899 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'PAH2 domain' '[U-15N; U-13C]' . . 1 $PAH2 . . 1 . . mM . . . . 6899 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 6899 _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 6.3 0.05 pH 6899 1 temperature 293 0.1 K 6899 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 6899 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength . save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 6899 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 unknown unknown . . 'spectrometer information not available' . . 6899 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 6899 _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 . . . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $spectrometer_list . . . . . . . . . . . . . . . . 6899 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 6899 _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 6899 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 6899 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6899 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 6899 _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 . 6899 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 GLU H H 1 8.977 0.020 . 1 . . . . . . . . 6899 1 2 . 1 1 1 1 GLU HA H 1 4.381 0.020 . 1 . . . . . . . . 6899 1 3 . 1 1 1 1 GLU HB2 H 1 2.140 0.020 . 2 . . . . . . . . 6899 1 4 . 1 1 1 1 GLU HG2 H 1 2.350 0.020 . 2 . . . . . . . . 6899 1 5 . 1 1 1 1 GLU CA C 13 57.570 0.200 . 1 . . . . . . . . 6899 1 6 . 1 1 1 1 GLU CB C 13 29.553 0.200 . 1 . . . . . . . . 6899 1 7 . 1 1 1 1 GLU CG C 13 36.341 0.200 . 1 . . . . . . . . 6899 1 8 . 1 1 1 1 GLU N N 15 123.047 0.200 . 1 . . . . . . . . 6899 1 9 . 1 1 2 2 SER H H 1 8.349 0.020 . 1 . . . . . . . . 6899 1 10 . 1 1 2 2 SER HA H 1 4.461 0.020 . 1 . . . . . . . . 6899 1 11 . 1 1 2 2 SER HB2 H 1 3.931 0.020 . 2 . . . . . . . . 6899 1 12 . 1 1 2 2 SER CA C 13 58.705 0.200 . 1 . . . . . . . . 6899 1 13 . 1 1 2 2 SER CB C 13 63.907 0.200 . 1 . . . . . . . . 6899 1 14 . 1 1 2 2 SER N N 15 115.585 0.200 . 1 . . . . . . . . 6899 1 15 . 1 1 3 3 ASP H H 1 8.277 0.020 . 1 . . . . . . . . 6899 1 16 . 1 1 3 3 ASP HA H 1 4.714 0.020 . 1 . . . . . . . . 6899 1 17 . 1 1 3 3 ASP HB2 H 1 2.785 0.001 . 2 . . . . . . . . 6899 1 18 . 1 1 3 3 ASP CA C 13 54.808 0.200 . 1 . . . . . . . . 6899 1 19 . 1 1 3 3 ASP CB C 13 41.282 0.200 . 1 . . . . . . . . 6899 1 20 . 1 1 3 3 ASP N N 15 122.337 0.200 . 1 . . . . . . . . 6899 1 21 . 1 1 4 4 SER H H 1 8.291 0.020 . 1 . . . . . . . . 6899 1 22 . 1 1 4 4 SER HA H 1 4.582 0.020 . 1 . . . . . . . . 6899 1 23 . 1 1 4 4 SER HB2 H 1 4.011 0.020 . 2 . . . . . . . . 6899 1 24 . 1 1 4 4 SER CA C 13 58.771 0.200 . 1 . . . . . . . . 6899 1 25 . 1 1 4 4 SER CB C 13 63.799 0.200 . 1 . . . . . . . . 6899 1 26 . 1 1 4 4 SER N N 15 115.900 0.200 . 1 . . . . . . . . 6899 1 27 . 1 1 5 5 VAL H H 1 8.346 0.020 . 1 . . . . . . . . 6899 1 28 . 1 1 5 5 VAL HA H 1 4.077 0.001 . 1 . . . . . . . . 6899 1 29 . 1 1 5 5 VAL HB H 1 2.169 0.002 . 1 . . . . . . . . 6899 1 30 . 1 1 5 5 VAL HG11 H 1 0.990 0.001 . 2 . . . . . . . . 6899 1 31 . 1 1 5 5 VAL HG12 H 1 0.990 0.001 . 2 . . . . . . . . 6899 1 32 . 1 1 5 5 VAL HG13 H 1 0.990 0.001 . 2 . . . . . . . . 6899 1 33 . 1 1 5 5 VAL HG21 H 1 1.056 0.020 . 2 . . . . . . . . 6899 1 34 . 1 1 5 5 VAL HG22 H 1 1.056 0.020 . 2 . . . . . . . . 6899 1 35 . 1 1 5 5 VAL HG23 H 1 1.056 0.020 . 2 . . . . . . . . 6899 1 36 . 1 1 5 5 VAL CA C 13 63.901 0.200 . 1 . . . . . . . . 6899 1 37 . 1 1 5 5 VAL CB C 13 32.420 0.200 . 1 . . . . . . . . 6899 1 38 . 1 1 5 5 VAL CG1 C 13 21.188 0.008 . 1 . . . . . . . . 6899 1 39 . 1 1 5 5 VAL CG2 C 13 21.221 0.048 . 1 . . . . . . . . 6899 1 40 . 1 1 5 5 VAL N N 15 122.996 0.200 . 1 . . . . . . . . 6899 1 41 . 1 1 6 6 GLU H H 1 8.574 0.020 . 1 . . . . . . . . 6899 1 42 . 1 1 6 6 GLU HA H 1 4.248 0.020 . 1 . . . . . . . . 6899 1 43 . 1 1 6 6 GLU HB2 H 1 2.026 0.020 . 2 . . . . . . . . 6899 1 44 . 1 1 6 6 GLU HG2 H 1 2.331 0.020 . 2 . . . . . . . . 6899 1 45 . 1 1 6 6 GLU CA C 13 58.131 0.200 . 1 . . . . . . . . 6899 1 46 . 1 1 6 6 GLU CB C 13 29.894 0.200 . 1 . . . . . . . . 6899 1 47 . 1 1 6 6 GLU CG C 13 36.763 0.200 . 1 . . . . . . . . 6899 1 48 . 1 1 6 6 GLU N N 15 122.042 0.200 . 1 . . . . . . . . 6899 1 49 . 1 1 7 7 PHE H H 1 8.337 0.020 . 1 . . . . . . . . 6899 1 50 . 1 1 7 7 PHE HA H 1 4.537 0.020 . 1 . . . . . . . . 6899 1 51 . 1 1 7 7 PHE HB2 H 1 3.204 0.001 . 2 . . . . . . . . 6899 1 52 . 1 1 7 7 PHE HD1 H 1 7.321 0.001 . 4 . . . . . . . . 6899 1 53 . 1 1 7 7 PHE CA C 13 59.469 0.006 . 1 . . . . . . . . 6899 1 54 . 1 1 7 7 PHE CB C 13 39.577 0.200 . 1 . . . . . . . . 6899 1 55 . 1 1 7 7 PHE CD1 C 13 131.800 0.200 . 1 . . . . . . . . 6899 1 56 . 1 1 7 7 PHE N N 15 121.139 0.200 . 1 . . . . . . . . 6899 1 57 . 1 1 8 8 ASN H H 1 8.370 0.020 . 1 . . . . . . . . 6899 1 58 . 1 1 8 8 ASN HA H 1 4.597 0.020 . 1 . . . . . . . . 6899 1 59 . 1 1 8 8 ASN HB2 H 1 2.928 0.020 . 2 . . . . . . . . 6899 1 60 . 1 1 8 8 ASN HD21 H 1 7.724 0.020 . 1 . . . . . . . . 6899 1 61 . 1 1 8 8 ASN HD22 H 1 7.087 0.020 . 1 . . . . . . . . 6899 1 62 . 1 1 8 8 ASN CA C 13 54.966 0.007 . 1 . . . . . . . . 6899 1 63 . 1 1 8 8 ASN CB C 13 38.711 0.200 . 1 . . . . . . . . 6899 1 64 . 1 1 8 8 ASN N N 15 119.170 0.200 . 1 . . . . . . . . 6899 1 65 . 1 1 8 8 ASN ND2 N 15 112.893 0.009 . 1 . . . . . . . . 6899 1 66 . 1 1 9 9 ASN H H 1 8.731 0.020 . 1 . . . . . . . . 6899 1 67 . 1 1 9 9 ASN HA H 1 4.663 0.020 . 1 . . . . . . . . 6899 1 68 . 1 1 9 9 ASN HB2 H 1 3.007 0.001 . 2 . . . . . . . . 6899 1 69 . 1 1 9 9 ASN HD21 H 1 7.962 0.020 . 1 . . . . . . . . 6899 1 70 . 1 1 9 9 ASN HD22 H 1 6.993 0.002 . 1 . . . . . . . . 6899 1 71 . 1 1 9 9 ASN CA C 13 55.002 0.200 . 1 . . . . . . . . 6899 1 72 . 1 1 9 9 ASN CB C 13 38.391 0.200 . 1 . . . . . . . . 6899 1 73 . 1 1 9 9 ASN N N 15 120.029 0.200 . 1 . . . . . . . . 6899 1 74 . 1 1 9 9 ASN ND2 N 15 112.754 0.200 . 1 . . . . . . . . 6899 1 75 . 1 1 10 10 ALA H H 1 8.417 0.020 . 1 . . . . . . . . 6899 1 76 . 1 1 10 10 ALA HA H 1 4.501 0.020 . 1 . . . . . . . . 6899 1 77 . 1 1 10 10 ALA HB1 H 1 1.583 0.020 . 1 . . . . . . . . 6899 1 78 . 1 1 10 10 ALA HB2 H 1 1.583 0.020 . 1 . . . . . . . . 6899 1 79 . 1 1 10 10 ALA HB3 H 1 1.583 0.020 . 1 . . . . . . . . 6899 1 80 . 1 1 10 10 ALA CA C 13 55.211 0.200 . 1 . . . . . . . . 6899 1 81 . 1 1 10 10 ALA CB C 13 18.625 0.200 . 1 . . . . . . . . 6899 1 82 . 1 1 10 10 ALA N N 15 124.838 0.200 . 1 . . . . . . . . 6899 1 83 . 1 1 11 11 ILE H H 1 8.172 0.020 . 1 . . . . . . . . 6899 1 84 . 1 1 11 11 ILE HA H 1 3.982 0.020 . 1 . . . . . . . . 6899 1 85 . 1 1 11 11 ILE HB H 1 1.969 0.020 . 1 . . . . . . . . 6899 1 86 . 1 1 11 11 ILE HG12 H 1 1.540 0.020 . 1 . . . . . . . . 6899 1 87 . 1 1 11 11 ILE HG13 H 1 1.281 0.020 . 1 . . . . . . . . 6899 1 88 . 1 1 11 11 ILE HG21 H 1 0.993 0.020 . 1 . . . . . . . . 6899 1 89 . 1 1 11 11 ILE HG22 H 1 0.993 0.020 . 1 . . . . . . . . 6899 1 90 . 1 1 11 11 ILE HG23 H 1 0.993 0.020 . 1 . . . . . . . . 6899 1 91 . 1 1 11 11 ILE HD11 H 1 0.891 0.020 . 1 . . . . . . . . 6899 1 92 . 1 1 11 11 ILE HD12 H 1 0.891 0.020 . 1 . . . . . . . . 6899 1 93 . 1 1 11 11 ILE HD13 H 1 0.891 0.020 . 1 . . . . . . . . 6899 1 94 . 1 1 11 11 ILE CA C 13 63.259 0.200 . 1 . . . . . . . . 6899 1 95 . 1 1 11 11 ILE CB C 13 37.699 0.200 . 1 . . . . . . . . 6899 1 96 . 1 1 11 11 ILE CG1 C 13 28.396 0.200 . 1 . . . . . . . . 6899 1 97 . 1 1 11 11 ILE CG2 C 13 17.842 0.200 . 1 . . . . . . . . 6899 1 98 . 1 1 11 11 ILE CD1 C 13 12.464 0.200 . 1 . . . . . . . . 6899 1 99 . 1 1 11 11 ILE N N 15 118.181 0.200 . 1 . . . . . . . . 6899 1 100 . 1 1 12 12 SER H H 1 8.256 0.020 . 1 . . . . . . . . 6899 1 101 . 1 1 12 12 SER HA H 1 4.352 0.002 . 1 . . . . . . . . 6899 1 102 . 1 1 12 12 SER HB2 H 1 4.076 0.020 . 2 . . . . . . . . 6899 1 103 . 1 1 12 12 SER CA C 13 61.505 0.200 . 1 . . . . . . . . 6899 1 104 . 1 1 12 12 SER CB C 13 62.917 0.200 . 1 . . . . . . . . 6899 1 105 . 1 1 12 12 SER N N 15 116.524 0.200 . 1 . . . . . . . . 6899 1 106 . 1 1 13 13 TYR H H 1 8.165 0.020 . 1 . . . . . . . . 6899 1 107 . 1 1 13 13 TYR HA H 1 4.263 0.001 . 1 . . . . . . . . 6899 1 108 . 1 1 13 13 TYR HB2 H 1 3.308 0.020 . 1 . . . . . . . . 6899 1 109 . 1 1 13 13 TYR HB3 H 1 3.041 0.002 . 1 . . . . . . . . 6899 1 110 . 1 1 13 13 TYR HD1 H 1 7.068 0.020 . 4 . . . . . . . . 6899 1 111 . 1 1 13 13 TYR CA C 13 61.851 0.008 . 1 . . . . . . . . 6899 1 112 . 1 1 13 13 TYR CB C 13 38.700 0.200 . 1 . . . . . . . . 6899 1 113 . 1 1 13 13 TYR CD1 C 13 133.100 0.200 . 1 . . . . . . . . 6899 1 114 . 1 1 13 13 TYR N N 15 123.893 0.200 . 1 . . . . . . . . 6899 1 115 . 1 1 14 14 VAL H H 1 8.026 0.020 . 1 . . . . . . . . 6899 1 116 . 1 1 14 14 VAL HA H 1 3.506 0.020 . 1 . . . . . . . . 6899 1 117 . 1 1 14 14 VAL HB H 1 2.396 0.001 . 1 . . . . . . . . 6899 1 118 . 1 1 14 14 VAL HG11 H 1 1.328 0.020 . 1 . . . . . . . . 6899 1 119 . 1 1 14 14 VAL HG12 H 1 1.328 0.020 . 1 . . . . . . . . 6899 1 120 . 1 1 14 14 VAL HG13 H 1 1.328 0.020 . 1 . . . . . . . . 6899 1 121 . 1 1 14 14 VAL HG21 H 1 1.324 0.020 . 1 . . . . . . . . 6899 1 122 . 1 1 14 14 VAL HG22 H 1 1.324 0.020 . 1 . . . . . . . . 6899 1 123 . 1 1 14 14 VAL HG23 H 1 1.324 0.020 . 1 . . . . . . . . 6899 1 124 . 1 1 14 14 VAL CA C 13 67.427 0.200 . 1 . . . . . . . . 6899 1 125 . 1 1 14 14 VAL CB C 13 31.594 0.200 . 1 . . . . . . . . 6899 1 126 . 1 1 14 14 VAL CG1 C 13 23.483 0.200 . 1 . . . . . . . . 6899 1 127 . 1 1 14 14 VAL CG2 C 13 22.864 0.200 . 1 . . . . . . . . 6899 1 128 . 1 1 14 14 VAL N N 15 117.892 0.200 . 1 . . . . . . . . 6899 1 129 . 1 1 15 15 ASN H H 1 8.260 0.020 . 1 . . . . . . . . 6899 1 130 . 1 1 15 15 ASN HA H 1 4.526 0.020 . 1 . . . . . . . . 6899 1 131 . 1 1 15 15 ASN HB2 H 1 2.917 0.020 . 1 . . . . . . . . 6899 1 132 . 1 1 15 15 ASN HB3 H 1 2.853 0.020 . 1 . . . . . . . . 6899 1 133 . 1 1 15 15 ASN HD21 H 1 7.723 0.020 . 1 . . . . . . . . 6899 1 134 . 1 1 15 15 ASN HD22 H 1 7.039 0.020 . 1 . . . . . . . . 6899 1 135 . 1 1 15 15 ASN CA C 13 56.058 0.200 . 1 . . . . . . . . 6899 1 136 . 1 1 15 15 ASN CB C 13 38.311 0.041 . 1 . . . . . . . . 6899 1 137 . 1 1 15 15 ASN N N 15 117.390 0.200 . 1 . . . . . . . . 6899 1 138 . 1 1 15 15 ASN ND2 N 15 112.826 0.200 . 1 . . . . . . . . 6899 1 139 . 1 1 16 16 LYS H H 1 8.077 0.020 . 1 . . . . . . . . 6899 1 140 . 1 1 16 16 LYS HA H 1 3.975 0.020 . 1 . . . . . . . . 6899 1 141 . 1 1 16 16 LYS HB2 H 1 1.911 0.020 . 2 . . . . . . . . 6899 1 142 . 1 1 16 16 LYS HG2 H 1 1.555 0.020 . 1 . . . . . . . . 6899 1 143 . 1 1 16 16 LYS HG3 H 1 1.166 0.020 . 1 . . . . . . . . 6899 1 144 . 1 1 16 16 LYS HD2 H 1 1.655 0.020 . 2 . . . . . . . . 6899 1 145 . 1 1 16 16 LYS HE2 H 1 2.872 0.020 . 2 . . . . . . . . 6899 1 146 . 1 1 16 16 LYS CA C 13 59.991 0.200 . 1 . . . . . . . . 6899 1 147 . 1 1 16 16 LYS CB C 13 31.975 0.200 . 1 . . . . . . . . 6899 1 148 . 1 1 16 16 LYS CG C 13 25.338 0.200 . 1 . . . . . . . . 6899 1 149 . 1 1 16 16 LYS CD C 13 30.010 0.200 . 1 . . . . . . . . 6899 1 150 . 1 1 16 16 LYS CE C 13 41.951 0.200 . 1 . . . . . . . . 6899 1 151 . 1 1 16 16 LYS N N 15 123.916 0.200 . 1 . . . . . . . . 6899 1 152 . 1 1 17 17 ILE H H 1 7.690 0.020 . 1 . . . . . . . . 6899 1 153 . 1 1 17 17 ILE HA H 1 3.280 0.020 . 1 . . . . . . . . 6899 1 154 . 1 1 17 17 ILE HB H 1 2.053 0.020 . 1 . . . . . . . . 6899 1 155 . 1 1 17 17 ILE HG12 H 1 0.777 0.020 . 1 . . . . . . . . 6899 1 156 . 1 1 17 17 ILE HG13 H 1 0.691 0.020 . 1 . . . . . . . . 6899 1 157 . 1 1 17 17 ILE HG21 H 1 0.861 0.020 . 1 . . . . . . . . 6899 1 158 . 1 1 17 17 ILE HG22 H 1 0.861 0.020 . 1 . . . . . . . . 6899 1 159 . 1 1 17 17 ILE HG23 H 1 0.861 0.020 . 1 . . . . . . . . 6899 1 160 . 1 1 17 17 ILE HD11 H 1 -0.039 0.020 . 1 . . . . . . . . 6899 1 161 . 1 1 17 17 ILE HD12 H 1 -0.039 0.020 . 1 . . . . . . . . 6899 1 162 . 1 1 17 17 ILE HD13 H 1 -0.039 0.020 . 1 . . . . . . . . 6899 1 163 . 1 1 17 17 ILE CA C 13 64.207 0.200 . 1 . . . . . . . . 6899 1 164 . 1 1 17 17 ILE CB C 13 36.796 0.200 . 1 . . . . . . . . 6899 1 165 . 1 1 17 17 ILE CG1 C 13 27.814 0.200 . 1 . . . . . . . . 6899 1 166 . 1 1 17 17 ILE CG2 C 13 18.321 0.200 . 1 . . . . . . . . 6899 1 167 . 1 1 17 17 ILE CD1 C 13 12.986 0.200 . 1 . . . . . . . . 6899 1 168 . 1 1 17 17 ILE N N 15 120.206 0.200 . 1 . . . . . . . . 6899 1 169 . 1 1 18 18 LYS H H 1 8.127 0.002 . 1 . . . . . . . . 6899 1 170 . 1 1 18 18 LYS HA H 1 3.196 0.002 . 1 . . . . . . . . 6899 1 171 . 1 1 18 18 LYS HB2 H 1 1.763 0.020 . 1 . . . . . . . . 6899 1 172 . 1 1 18 18 LYS HB3 H 1 1.369 0.020 . 1 . . . . . . . . 6899 1 173 . 1 1 18 18 LYS HG2 H 1 0.582 0.020 . 1 . . . . . . . . 6899 1 174 . 1 1 18 18 LYS HG3 H 1 0.872 0.020 . 1 . . . . . . . . 6899 1 175 . 1 1 18 18 LYS HD2 H 1 1.496 0.020 . 2 . . . . . . . . 6899 1 176 . 1 1 18 18 LYS HE2 H 1 2.872 0.020 . 2 . . . . . . . . 6899 1 177 . 1 1 18 18 LYS CA C 13 59.950 0.020 . 1 . . . . . . . . 6899 1 178 . 1 1 18 18 LYS CB C 13 32.484 0.200 . 1 . . . . . . . . 6899 1 179 . 1 1 18 18 LYS CG C 13 24.680 0.200 . 1 . . . . . . . . 6899 1 180 . 1 1 18 18 LYS CD C 13 29.530 0.200 . 1 . . . . . . . . 6899 1 181 . 1 1 18 18 LYS CE C 13 42.304 0.200 . 1 . . . . . . . . 6899 1 182 . 1 1 18 18 LYS N N 15 119.765 0.200 . 1 . . . . . . . . 6899 1 183 . 1 1 19 19 THR H H 1 7.974 0.020 . 1 . . . . . . . . 6899 1 184 . 1 1 19 19 THR HA H 1 3.824 0.020 . 1 . . . . . . . . 6899 1 185 . 1 1 19 19 THR HB H 1 4.158 0.020 . 1 . . . . . . . . 6899 1 186 . 1 1 19 19 THR HG21 H 1 1.239 0.020 . 1 . . . . . . . . 6899 1 187 . 1 1 19 19 THR HG22 H 1 1.239 0.020 . 1 . . . . . . . . 6899 1 188 . 1 1 19 19 THR HG23 H 1 1.239 0.020 . 1 . . . . . . . . 6899 1 189 . 1 1 19 19 THR CA C 13 65.774 0.200 . 1 . . . . . . . . 6899 1 190 . 1 1 19 19 THR CB C 13 69.101 0.200 . 1 . . . . . . . . 6899 1 191 . 1 1 19 19 THR CG2 C 13 21.776 0.200 . 1 . . . . . . . . 6899 1 192 . 1 1 19 19 THR N N 15 111.432 0.200 . 1 . . . . . . . . 6899 1 193 . 1 1 20 20 ARG H H 1 8.160 0.020 . 1 . . . . . . . . 6899 1 194 . 1 1 20 20 ARG HA H 1 3.913 0.020 . 1 . . . . . . . . 6899 1 195 . 1 1 20 20 ARG HB2 H 1 1.648 0.020 . 1 . . . . . . . . 6899 1 196 . 1 1 20 20 ARG HB3 H 1 1.244 0.020 . 1 . . . . . . . . 6899 1 197 . 1 1 20 20 ARG HG2 H 1 1.035 0.020 . 1 . . . . . . . . 6899 1 198 . 1 1 20 20 ARG HG3 H 1 0.605 0.020 . 1 . . . . . . . . 6899 1 199 . 1 1 20 20 ARG HD2 H 1 3.055 0.020 . 2 . . . . . . . . 6899 1 200 . 1 1 20 20 ARG CA C 13 56.506 0.200 . 1 . . . . . . . . 6899 1 201 . 1 1 20 20 ARG CB C 13 28.045 0.200 . 1 . . . . . . . . 6899 1 202 . 1 1 20 20 ARG CG C 13 25.327 0.200 . 1 . . . . . . . . 6899 1 203 . 1 1 20 20 ARG CD C 13 40.206 0.200 . 1 . . . . . . . . 6899 1 204 . 1 1 20 20 ARG N N 15 123.498 0.200 . 1 . . . . . . . . 6899 1 205 . 1 1 21 21 PHE H H 1 7.403 0.020 . 1 . . . . . . . . 6899 1 206 . 1 1 21 21 PHE HA H 1 5.032 0.004 . 1 . . . . . . . . 6899 1 207 . 1 1 21 21 PHE HB2 H 1 3.961 0.020 . 1 . . . . . . . . 6899 1 208 . 1 1 21 21 PHE HB3 H 1 2.564 0.004 . 1 . . . . . . . . 6899 1 209 . 1 1 21 21 PHE HD1 H 1 7.416 0.002 . 3 . . . . . . . . 6899 1 210 . 1 1 21 21 PHE HE1 H 1 6.966 0.020 . 3 . . . . . . . . 6899 1 211 . 1 1 21 21 PHE CA C 13 57.327 0.200 . 1 . . . . . . . . 6899 1 212 . 1 1 21 21 PHE CB C 13 38.102 0.200 . 1 . . . . . . . . 6899 1 213 . 1 1 21 21 PHE CD1 C 13 132.349 0.041 . 1 . . . . . . . . 6899 1 214 . 1 1 21 21 PHE CE1 C 13 130.991 0.200 . 1 . . . . . . . . 6899 1 215 . 1 1 21 21 PHE N N 15 113.538 0.200 . 1 . . . . . . . . 6899 1 216 . 1 1 22 22 LEU H H 1 7.304 0.020 . 1 . . . . . . . . 6899 1 217 . 1 1 22 22 LEU HA H 1 4.102 0.020 . 1 . . . . . . . . 6899 1 218 . 1 1 22 22 LEU HB2 H 1 1.641 0.020 . 1 . . . . . . . . 6899 1 219 . 1 1 22 22 LEU HB3 H 1 1.866 0.020 . 1 . . . . . . . . 6899 1 220 . 1 1 22 22 LEU HG H 1 1.997 0.020 . 1 . . . . . . . . 6899 1 221 . 1 1 22 22 LEU HD11 H 1 0.989 0.020 . 1 . . . . . . . . 6899 1 222 . 1 1 22 22 LEU HD12 H 1 0.989 0.020 . 1 . . . . . . . . 6899 1 223 . 1 1 22 22 LEU HD13 H 1 0.989 0.020 . 1 . . . . . . . . 6899 1 224 . 1 1 22 22 LEU HD21 H 1 0.924 0.020 . 1 . . . . . . . . 6899 1 225 . 1 1 22 22 LEU HD22 H 1 0.924 0.020 . 1 . . . . . . . . 6899 1 226 . 1 1 22 22 LEU HD23 H 1 0.924 0.020 . 1 . . . . . . . . 6899 1 227 . 1 1 22 22 LEU CA C 13 58.982 0.200 . 1 . . . . . . . . 6899 1 228 . 1 1 22 22 LEU CB C 13 42.351 0.200 . 1 . . . . . . . . 6899 1 229 . 1 1 22 22 LEU CG C 13 26.676 0.200 . 1 . . . . . . . . 6899 1 230 . 1 1 22 22 LEU CD1 C 13 24.643 0.200 . 1 . . . . . . . . 6899 1 231 . 1 1 22 22 LEU CD2 C 13 24.048 0.200 . 1 . . . . . . . . 6899 1 232 . 1 1 22 22 LEU N N 15 126.088 0.200 . 1 . . . . . . . . 6899 1 233 . 1 1 23 23 ASP H H 1 8.747 0.020 . 1 . . . . . . . . 6899 1 234 . 1 1 23 23 ASP HA H 1 4.632 0.001 . 1 . . . . . . . . 6899 1 235 . 1 1 23 23 ASP HB2 H 1 2.655 0.020 . 1 . . . . . . . . 6899 1 236 . 1 1 23 23 ASP HB3 H 1 2.617 0.020 . 1 . . . . . . . . 6899 1 237 . 1 1 23 23 ASP CA C 13 54.309 0.200 . 1 . . . . . . . . 6899 1 238 . 1 1 23 23 ASP CB C 13 40.418 0.200 . 1 . . . . . . . . 6899 1 239 . 1 1 23 23 ASP N N 15 113.091 0.200 . 1 . . . . . . . . 6899 1 240 . 1 1 24 24 HIS H H 1 7.818 0.020 . 1 . . . . . . . . 6899 1 241 . 1 1 24 24 HIS HA H 1 5.279 0.001 . 1 . . . . . . . . 6899 1 242 . 1 1 24 24 HIS HB2 H 1 3.515 0.020 . 1 . . . . . . . . 6899 1 243 . 1 1 24 24 HIS HB3 H 1 3.099 0.020 . 1 . . . . . . . . 6899 1 244 . 1 1 24 24 HIS HD2 H 1 7.452 0.020 . 1 . . . . . . . . 6899 1 245 . 1 1 24 24 HIS HE1 H 1 8.608 0.002 . 1 . . . . . . . . 6899 1 246 . 1 1 24 24 HIS CA C 13 54.133 0.025 . 1 . . . . . . . . 6899 1 247 . 1 1 24 24 HIS CB C 13 30.568 0.200 . 1 . . . . . . . . 6899 1 248 . 1 1 24 24 HIS CD2 C 13 119.936 0.200 . 1 . . . . . . . . 6899 1 249 . 1 1 24 24 HIS CE1 C 13 136.822 0.200 . 1 . . . . . . . . 6899 1 250 . 1 1 24 24 HIS N N 15 117.148 0.200 . 1 . . . . . . . . 6899 1 251 . 1 1 25 25 PRO HA H 1 4.542 0.020 . 1 . . . . . . . . 6899 1 252 . 1 1 25 25 PRO HB2 H 1 2.532 0.020 . 1 . . . . . . . . 6899 1 253 . 1 1 25 25 PRO HB3 H 1 2.265 0.020 . 1 . . . . . . . . 6899 1 254 . 1 1 25 25 PRO HG2 H 1 2.185 0.001 . 2 . . . . . . . . 6899 1 255 . 1 1 25 25 PRO HD2 H 1 3.820 0.020 . 1 . . . . . . . . 6899 1 256 . 1 1 25 25 PRO HD3 H 1 3.600 0.020 . 1 . . . . . . . . 6899 1 257 . 1 1 25 25 PRO CA C 13 65.460 0.200 . 1 . . . . . . . . 6899 1 258 . 1 1 25 25 PRO CB C 13 31.773 0.200 . 1 . . . . . . . . 6899 1 259 . 1 1 25 25 PRO CG C 13 27.562 0.200 . 1 . . . . . . . . 6899 1 260 . 1 1 25 25 PRO CD C 13 50.688 0.200 . 1 . . . . . . . . 6899 1 261 . 1 1 26 26 GLU H H 1 10.380 0.020 . 1 . . . . . . . . 6899 1 262 . 1 1 26 26 GLU HA H 1 4.296 0.020 . 1 . . . . . . . . 6899 1 263 . 1 1 26 26 GLU HB2 H 1 2.258 0.020 . 1 . . . . . . . . 6899 1 264 . 1 1 26 26 GLU HB3 H 1 2.142 0.020 . 1 . . . . . . . . 6899 1 265 . 1 1 26 26 GLU HG2 H 1 2.621 0.020 . 1 . . . . . . . . 6899 1 266 . 1 1 26 26 GLU HG3 H 1 2.430 0.020 . 1 . . . . . . . . 6899 1 267 . 1 1 26 26 GLU CA C 13 59.473 0.200 . 1 . . . . . . . . 6899 1 268 . 1 1 26 26 GLU CB C 13 27.628 0.200 . 1 . . . . . . . . 6899 1 269 . 1 1 26 26 GLU CG C 13 35.705 0.200 . 1 . . . . . . . . 6899 1 270 . 1 1 26 26 GLU N N 15 121.570 0.200 . 1 . . . . . . . . 6899 1 271 . 1 1 27 27 ILE H H 1 8.227 0.020 . 1 . . . . . . . . 6899 1 272 . 1 1 27 27 ILE HA H 1 3.776 0.020 . 1 . . . . . . . . 6899 1 273 . 1 1 27 27 ILE HB H 1 1.686 0.020 . 1 . . . . . . . . 6899 1 274 . 1 1 27 27 ILE HG12 H 1 1.618 0.020 . 1 . . . . . . . . 6899 1 275 . 1 1 27 27 ILE HG13 H 1 1.242 0.020 . 1 . . . . . . . . 6899 1 276 . 1 1 27 27 ILE HG21 H 1 0.096 0.020 . 1 . . . . . . . . 6899 1 277 . 1 1 27 27 ILE HG22 H 1 0.096 0.020 . 1 . . . . . . . . 6899 1 278 . 1 1 27 27 ILE HG23 H 1 0.096 0.020 . 1 . . . . . . . . 6899 1 279 . 1 1 27 27 ILE HD11 H 1 0.812 0.020 . 1 . . . . . . . . 6899 1 280 . 1 1 27 27 ILE HD12 H 1 0.812 0.020 . 1 . . . . . . . . 6899 1 281 . 1 1 27 27 ILE HD13 H 1 0.812 0.020 . 1 . . . . . . . . 6899 1 282 . 1 1 27 27 ILE CA C 13 64.448 0.200 . 1 . . . . . . . . 6899 1 283 . 1 1 27 27 ILE CB C 13 37.055 0.200 . 1 . . . . . . . . 6899 1 284 . 1 1 27 27 ILE CG1 C 13 28.658 0.200 . 1 . . . . . . . . 6899 1 285 . 1 1 27 27 ILE CG2 C 13 15.895 0.200 . 1 . . . . . . . . 6899 1 286 . 1 1 27 27 ILE CD1 C 13 11.799 0.200 . 1 . . . . . . . . 6899 1 287 . 1 1 27 27 ILE N N 15 123.260 0.200 . 1 . . . . . . . . 6899 1 288 . 1 1 28 28 TYR H H 1 6.841 0.020 . 1 . . . . . . . . 6899 1 289 . 1 1 28 28 TYR HA H 1 4.294 0.020 . 1 . . . . . . . . 6899 1 290 . 1 1 28 28 TYR HB2 H 1 3.278 0.020 . 2 . . . . . . . . 6899 1 291 . 1 1 28 28 TYR HD1 H 1 7.127 0.002 . 3 . . . . . . . . 6899 1 292 . 1 1 28 28 TYR HE1 H 1 6.931 0.001 . 3 . . . . . . . . 6899 1 293 . 1 1 28 28 TYR CA C 13 61.031 0.200 . 1 . . . . . . . . 6899 1 294 . 1 1 28 28 TYR CB C 13 38.854 0.200 . 1 . . . . . . . . 6899 1 295 . 1 1 28 28 TYR CD1 C 13 132.588 0.200 . 1 . . . . . . . . 6899 1 296 . 1 1 28 28 TYR CE1 C 13 118.497 0.200 . 1 . . . . . . . . 6899 1 297 . 1 1 28 28 TYR N N 15 119.591 0.200 . 1 . . . . . . . . 6899 1 298 . 1 1 29 29 ARG H H 1 8.467 0.020 . 1 . . . . . . . . 6899 1 299 . 1 1 29 29 ARG HA H 1 3.800 0.020 . 1 . . . . . . . . 6899 1 300 . 1 1 29 29 ARG HB2 H 1 1.987 0.020 . 2 . . . . . . . . 6899 1 301 . 1 1 29 29 ARG HG2 H 1 1.948 0.020 . 1 . . . . . . . . 6899 1 302 . 1 1 29 29 ARG HG3 H 1 1.691 0.020 . 1 . . . . . . . . 6899 1 303 . 1 1 29 29 ARG HD2 H 1 3.356 0.020 . 1 . . . . . . . . 6899 1 304 . 1 1 29 29 ARG HD3 H 1 3.261 0.020 . 1 . . . . . . . . 6899 1 305 . 1 1 29 29 ARG CA C 13 60.029 0.200 . 1 . . . . . . . . 6899 1 306 . 1 1 29 29 ARG CB C 13 29.872 0.200 . 1 . . . . . . . . 6899 1 307 . 1 1 29 29 ARG CG C 13 27.855 0.200 . 1 . . . . . . . . 6899 1 308 . 1 1 29 29 ARG CD C 13 43.510 0.200 . 1 . . . . . . . . 6899 1 309 . 1 1 29 29 ARG N N 15 117.260 0.200 . 1 . . . . . . . . 6899 1 310 . 1 1 30 30 SER H H 1 8.252 0.020 . 1 . . . . . . . . 6899 1 311 . 1 1 30 30 SER HA H 1 4.431 0.020 . 1 . . . . . . . . 6899 1 312 . 1 1 30 30 SER HB2 H 1 4.168 0.020 . 2 . . . . . . . . 6899 1 313 . 1 1 30 30 SER CA C 13 61.698 0.200 . 1 . . . . . . . . 6899 1 314 . 1 1 30 30 SER CB C 13 62.891 0.200 . 1 . . . . . . . . 6899 1 315 . 1 1 30 30 SER N N 15 116.494 0.200 . 1 . . . . . . . . 6899 1 316 . 1 1 31 31 PHE H H 1 8.314 0.020 . 1 . . . . . . . . 6899 1 317 . 1 1 31 31 PHE HA H 1 3.966 0.020 . 1 . . . . . . . . 6899 1 318 . 1 1 31 31 PHE HB2 H 1 3.533 0.001 . 1 . . . . . . . . 6899 1 319 . 1 1 31 31 PHE HB3 H 1 3.143 0.020 . 1 . . . . . . . . 6899 1 320 . 1 1 31 31 PHE HD1 H 1 7.048 0.020 . 4 . . . . . . . . 6899 1 321 . 1 1 31 31 PHE CA C 13 61.520 0.200 . 1 . . . . . . . . 6899 1 322 . 1 1 31 31 PHE CB C 13 38.545 0.013 . 1 . . . . . . . . 6899 1 323 . 1 1 31 31 PHE N N 15 123.442 0.200 . 1 . . . . . . . . 6899 1 324 . 1 1 32 32 LEU H H 1 8.025 0.020 . 1 . . . . . . . . 6899 1 325 . 1 1 32 32 LEU HA H 1 3.621 0.020 . 1 . . . . . . . . 6899 1 326 . 1 1 32 32 LEU HB2 H 1 1.828 0.020 . 1 . . . . . . . . 6899 1 327 . 1 1 32 32 LEU HB3 H 1 1.247 0.020 . 1 . . . . . . . . 6899 1 328 . 1 1 32 32 LEU HG H 1 1.436 0.020 . 1 . . . . . . . . 6899 1 329 . 1 1 32 32 LEU HD11 H 1 0.722 0.020 . 1 . . . . . . . . 6899 1 330 . 1 1 32 32 LEU HD12 H 1 0.722 0.020 . 1 . . . . . . . . 6899 1 331 . 1 1 32 32 LEU HD13 H 1 0.722 0.020 . 1 . . . . . . . . 6899 1 332 . 1 1 32 32 LEU HD21 H 1 0.853 0.020 . 1 . . . . . . . . 6899 1 333 . 1 1 32 32 LEU HD22 H 1 0.853 0.020 . 1 . . . . . . . . 6899 1 334 . 1 1 32 32 LEU HD23 H 1 0.853 0.020 . 1 . . . . . . . . 6899 1 335 . 1 1 32 32 LEU CA C 13 57.829 0.200 . 1 . . . . . . . . 6899 1 336 . 1 1 32 32 LEU CB C 13 41.575 0.200 . 1 . . . . . . . . 6899 1 337 . 1 1 32 32 LEU CG C 13 26.449 0.200 . 1 . . . . . . . . 6899 1 338 . 1 1 32 32 LEU CD1 C 13 25.560 0.200 . 1 . . . . . . . . 6899 1 339 . 1 1 32 32 LEU CD2 C 13 22.064 0.200 . 1 . . . . . . . . 6899 1 340 . 1 1 32 32 LEU N N 15 117.731 0.200 . 1 . . . . . . . . 6899 1 341 . 1 1 33 33 GLU H H 1 7.949 0.020 . 1 . . . . . . . . 6899 1 342 . 1 1 33 33 GLU HA H 1 4.116 0.020 . 1 . . . . . . . . 6899 1 343 . 1 1 33 33 GLU HB2 H 1 2.173 0.020 . 2 . . . . . . . . 6899 1 344 . 1 1 33 33 GLU HG2 H 1 2.434 0.020 . 1 . . . . . . . . 6899 1 345 . 1 1 33 33 GLU HG3 H 1 2.335 0.020 . 1 . . . . . . . . 6899 1 346 . 1 1 33 33 GLU CA C 13 59.558 0.200 . 1 . . . . . . . . 6899 1 347 . 1 1 33 33 GLU CB C 13 29.379 0.200 . 1 . . . . . . . . 6899 1 348 . 1 1 33 33 GLU CG C 13 36.164 0.200 . 1 . . . . . . . . 6899 1 349 . 1 1 33 33 GLU N N 15 119.108 0.200 . 1 . . . . . . . . 6899 1 350 . 1 1 34 34 ILE H H 1 8.039 0.020 . 1 . . . . . . . . 6899 1 351 . 1 1 34 34 ILE HA H 1 3.758 0.020 . 1 . . . . . . . . 6899 1 352 . 1 1 34 34 ILE HB H 1 1.843 0.020 . 1 . . . . . . . . 6899 1 353 . 1 1 34 34 ILE HG12 H 1 1.799 0.020 . 1 . . . . . . . . 6899 1 354 . 1 1 34 34 ILE HG13 H 1 1.079 0.020 . 1 . . . . . . . . 6899 1 355 . 1 1 34 34 ILE HG21 H 1 0.807 0.020 . 1 . . . . . . . . 6899 1 356 . 1 1 34 34 ILE HG22 H 1 0.807 0.020 . 1 . . . . . . . . 6899 1 357 . 1 1 34 34 ILE HG23 H 1 0.807 0.020 . 1 . . . . . . . . 6899 1 358 . 1 1 34 34 ILE HD11 H 1 0.768 0.020 . 1 . . . . . . . . 6899 1 359 . 1 1 34 34 ILE HD12 H 1 0.768 0.020 . 1 . . . . . . . . 6899 1 360 . 1 1 34 34 ILE HD13 H 1 0.768 0.020 . 1 . . . . . . . . 6899 1 361 . 1 1 34 34 ILE CA C 13 65.199 0.200 . 1 . . . . . . . . 6899 1 362 . 1 1 34 34 ILE CB C 13 38.128 0.200 . 1 . . . . . . . . 6899 1 363 . 1 1 34 34 ILE CG1 C 13 29.112 0.200 . 1 . . . . . . . . 6899 1 364 . 1 1 34 34 ILE CG2 C 13 17.737 0.200 . 1 . . . . . . . . 6899 1 365 . 1 1 34 34 ILE CD1 C 13 14.651 0.200 . 1 . . . . . . . . 6899 1 366 . 1 1 34 34 ILE N N 15 122.233 0.200 . 1 . . . . . . . . 6899 1 367 . 1 1 35 35 LEU H H 1 7.857 0.020 . 1 . . . . . . . . 6899 1 368 . 1 1 35 35 LEU HA H 1 3.971 0.020 . 1 . . . . . . . . 6899 1 369 . 1 1 35 35 LEU HB2 H 1 1.513 0.020 . 2 . . . . . . . . 6899 1 370 . 1 1 35 35 LEU HG H 1 1.546 0.020 . 1 . . . . . . . . 6899 1 371 . 1 1 35 35 LEU HD11 H 1 0.870 0.020 . 1 . . . . . . . . 6899 1 372 . 1 1 35 35 LEU HD12 H 1 0.870 0.020 . 1 . . . . . . . . 6899 1 373 . 1 1 35 35 LEU HD13 H 1 0.870 0.020 . 1 . . . . . . . . 6899 1 374 . 1 1 35 35 LEU HD21 H 1 0.826 0.020 . 1 . . . . . . . . 6899 1 375 . 1 1 35 35 LEU HD22 H 1 0.826 0.020 . 1 . . . . . . . . 6899 1 376 . 1 1 35 35 LEU HD23 H 1 0.826 0.020 . 1 . . . . . . . . 6899 1 377 . 1 1 35 35 LEU CA C 13 57.797 0.200 . 1 . . . . . . . . 6899 1 378 . 1 1 35 35 LEU CB C 13 41.209 0.200 . 1 . . . . . . . . 6899 1 379 . 1 1 35 35 LEU CG C 13 26.637 0.200 . 1 . . . . . . . . 6899 1 380 . 1 1 35 35 LEU CD1 C 13 24.870 0.200 . 1 . . . . . . . . 6899 1 381 . 1 1 35 35 LEU CD2 C 13 23.422 0.200 . 1 . . . . . . . . 6899 1 382 . 1 1 35 35 LEU N N 15 119.327 0.200 . 1 . . . . . . . . 6899 1 383 . 1 1 36 36 HIS H H 1 8.689 0.020 . 1 . . . . . . . . 6899 1 384 . 1 1 36 36 HIS HA H 1 4.450 0.020 . 1 . . . . . . . . 6899 1 385 . 1 1 36 36 HIS HB2 H 1 3.312 0.020 . 2 . . . . . . . . 6899 1 386 . 1 1 36 36 HIS HD2 H 1 7.172 0.002 . 1 . . . . . . . . 6899 1 387 . 1 1 36 36 HIS HE1 H 1 8.256 0.020 . 1 . . . . . . . . 6899 1 388 . 1 1 36 36 HIS CA C 13 58.812 0.200 . 1 . . . . . . . . 6899 1 389 . 1 1 36 36 HIS CB C 13 29.406 0.200 . 1 . . . . . . . . 6899 1 390 . 1 1 36 36 HIS CD2 C 13 119.822 0.200 . 1 . . . . . . . . 6899 1 391 . 1 1 36 36 HIS CE1 C 13 137.037 0.200 . 1 . . . . . . . . 6899 1 392 . 1 1 36 36 HIS N N 15 117.671 0.200 . 1 . . . . . . . . 6899 1 393 . 1 1 37 37 THR H H 1 8.415 0.020 . 1 . . . . . . . . 6899 1 394 . 1 1 37 37 THR HA H 1 3.899 0.020 . 1 . . . . . . . . 6899 1 395 . 1 1 37 37 THR HB H 1 4.440 0.020 . 1 . . . . . . . . 6899 1 396 . 1 1 37 37 THR HG21 H 1 1.325 0.020 . 1 . . . . . . . . 6899 1 397 . 1 1 37 37 THR HG22 H 1 1.325 0.020 . 1 . . . . . . . . 6899 1 398 . 1 1 37 37 THR HG23 H 1 1.325 0.020 . 1 . . . . . . . . 6899 1 399 . 1 1 37 37 THR CA C 13 66.957 0.200 . 1 . . . . . . . . 6899 1 400 . 1 1 37 37 THR CB C 13 68.700 0.200 . 1 . . . . . . . . 6899 1 401 . 1 1 37 37 THR CG2 C 13 21.864 0.200 . 1 . . . . . . . . 6899 1 402 . 1 1 37 37 THR N N 15 117.344 0.200 . 1 . . . . . . . . 6899 1 403 . 1 1 38 38 TYR H H 1 8.349 0.020 . 1 . . . . . . . . 6899 1 404 . 1 1 38 38 TYR HA H 1 4.342 0.020 . 1 . . . . . . . . 6899 1 405 . 1 1 38 38 TYR HB2 H 1 3.174 0.020 . 2 . . . . . . . . 6899 1 406 . 1 1 38 38 TYR HD1 H 1 7.032 0.001 . 3 . . . . . . . . 6899 1 407 . 1 1 38 38 TYR HE1 H 1 6.734 0.001 . 3 . . . . . . . . 6899 1 408 . 1 1 38 38 TYR CA C 13 61.061 0.019 . 1 . . . . . . . . 6899 1 409 . 1 1 38 38 TYR CB C 13 38.683 0.200 . 1 . . . . . . . . 6899 1 410 . 1 1 38 38 TYR CD1 C 13 132.669 0.200 . 1 . . . . . . . . 6899 1 411 . 1 1 38 38 TYR CE1 C 13 118.497 0.200 . 1 . . . . . . . . 6899 1 412 . 1 1 38 38 TYR N N 15 122.135 0.200 . 1 . . . . . . . . 6899 1 413 . 1 1 39 39 GLN H H 1 8.386 0.020 . 1 . . . . . . . . 6899 1 414 . 1 1 39 39 GLN HA H 1 3.834 0.020 . 1 . . . . . . . . 6899 1 415 . 1 1 39 39 GLN HB2 H 1 2.157 0.020 . 1 . . . . . . . . 6899 1 416 . 1 1 39 39 GLN HB3 H 1 2.087 0.020 . 1 . . . . . . . . 6899 1 417 . 1 1 39 39 GLN HG2 H 1 2.566 0.020 . 1 . . . . . . . . 6899 1 418 . 1 1 39 39 GLN HG3 H 1 2.313 0.020 . 1 . . . . . . . . 6899 1 419 . 1 1 39 39 GLN HE21 H 1 7.426 0.001 . 1 . . . . . . . . 6899 1 420 . 1 1 39 39 GLN HE22 H 1 6.797 0.003 . 1 . . . . . . . . 6899 1 421 . 1 1 39 39 GLN CA C 13 58.537 0.200 . 1 . . . . . . . . 6899 1 422 . 1 1 39 39 GLN CB C 13 28.910 0.200 . 1 . . . . . . . . 6899 1 423 . 1 1 39 39 GLN CG C 13 34.250 0.200 . 1 . . . . . . . . 6899 1 424 . 1 1 39 39 GLN N N 15 117.340 0.200 . 1 . . . . . . . . 6899 1 425 . 1 1 39 39 GLN NE2 N 15 110.191 0.007 . 1 . . . . . . . . 6899 1 426 . 1 1 40 40 LYS H H 1 8.035 0.020 . 1 . . . . . . . . 6899 1 427 . 1 1 40 40 LYS HA H 1 4.044 0.020 . 1 . . . . . . . . 6899 1 428 . 1 1 40 40 LYS HB2 H 1 1.887 0.020 . 2 . . . . . . . . 6899 1 429 . 1 1 40 40 LYS HG2 H 1 1.524 0.020 . 1 . . . . . . . . 6899 1 430 . 1 1 40 40 LYS HG3 H 1 1.448 0.020 . 1 . . . . . . . . 6899 1 431 . 1 1 40 40 LYS HD2 H 1 1.665 0.020 . 2 . . . . . . . . 6899 1 432 . 1 1 40 40 LYS HE2 H 1 2.943 0.020 . 2 . . . . . . . . 6899 1 433 . 1 1 40 40 LYS CA C 13 58.736 0.200 . 1 . . . . . . . . 6899 1 434 . 1 1 40 40 LYS CB C 13 32.502 0.200 . 1 . . . . . . . . 6899 1 435 . 1 1 40 40 LYS CG C 13 24.919 0.200 . 1 . . . . . . . . 6899 1 436 . 1 1 40 40 LYS CD C 13 29.367 0.200 . 1 . . . . . . . . 6899 1 437 . 1 1 40 40 LYS CE C 13 42.122 0.200 . 1 . . . . . . . . 6899 1 438 . 1 1 40 40 LYS N N 15 119.470 0.200 . 1 . . . . . . . . 6899 1 439 . 1 1 41 41 GLU H H 1 8.108 0.020 . 1 . . . . . . . . 6899 1 440 . 1 1 41 41 GLU HA H 1 4.209 0.020 . 1 . . . . . . . . 6899 1 441 . 1 1 41 41 GLU HB2 H 1 2.050 0.020 . 2 . . . . . . . . 6899 1 442 . 1 1 41 41 GLU HG2 H 1 2.302 0.020 . 2 . . . . . . . . 6899 1 443 . 1 1 41 41 GLU CA C 13 57.609 0.200 . 1 . . . . . . . . 6899 1 444 . 1 1 41 41 GLU CB C 13 29.616 0.200 . 1 . . . . . . . . 6899 1 445 . 1 1 41 41 GLU CG C 13 36.404 0.200 . 1 . . . . . . . . 6899 1 446 . 1 1 41 41 GLU N N 15 118.902 0.200 . 1 . . . . . . . . 6899 1 447 . 1 1 42 42 GLN H H 1 7.926 0.020 . 1 . . . . . . . . 6899 1 448 . 1 1 42 42 GLN HA H 1 4.191 0.020 . 1 . . . . . . . . 6899 1 449 . 1 1 42 42 GLN HB2 H 1 2.109 0.020 . 1 . . . . . . . . 6899 1 450 . 1 1 42 42 GLN HB3 H 1 1.919 0.020 . 1 . . . . . . . . 6899 1 451 . 1 1 42 42 GLN HG2 H 1 2.272 0.020 . 1 . . . . . . . . 6899 1 452 . 1 1 42 42 GLN HG3 H 1 2.082 0.020 . 1 . . . . . . . . 6899 1 453 . 1 1 42 42 GLN HE21 H 1 7.276 0.020 . 1 . . . . . . . . 6899 1 454 . 1 1 42 42 GLN HE22 H 1 6.893 0.020 . 1 . . . . . . . . 6899 1 455 . 1 1 42 42 GLN CA C 13 56.327 0.200 . 1 . . . . . . . . 6899 1 456 . 1 1 42 42 GLN CB C 13 28.866 0.200 . 1 . . . . . . . . 6899 1 457 . 1 1 42 42 GLN CG C 13 33.625 0.200 . 1 . . . . . . . . 6899 1 458 . 1 1 42 42 GLN N N 15 117.670 0.200 . 1 . . . . . . . . 6899 1 459 . 1 1 42 42 GLN NE2 N 15 114.216 0.002 . 1 . . . . . . . . 6899 1 460 . 1 1 43 43 LEU H H 1 7.775 0.020 . 1 . . . . . . . . 6899 1 461 . 1 1 43 43 LEU HA H 1 4.332 0.020 . 1 . . . . . . . . 6899 1 462 . 1 1 43 43 LEU HB2 H 1 1.695 0.020 . 1 . . . . . . . . 6899 1 463 . 1 1 43 43 LEU HB3 H 1 1.535 0.020 . 1 . . . . . . . . 6899 1 464 . 1 1 43 43 LEU HG H 1 1.614 0.020 . 1 . . . . . . . . 6899 1 465 . 1 1 43 43 LEU HD11 H 1 0.935 0.020 . 1 . . . . . . . . 6899 1 466 . 1 1 43 43 LEU HD12 H 1 0.935 0.020 . 1 . . . . . . . . 6899 1 467 . 1 1 43 43 LEU HD13 H 1 0.935 0.020 . 1 . . . . . . . . 6899 1 468 . 1 1 43 43 LEU HD21 H 1 0.878 0.020 . 1 . . . . . . . . 6899 1 469 . 1 1 43 43 LEU HD22 H 1 0.878 0.020 . 1 . . . . . . . . 6899 1 470 . 1 1 43 43 LEU HD23 H 1 0.878 0.020 . 1 . . . . . . . . 6899 1 471 . 1 1 43 43 LEU CA C 13 55.704 0.200 . 1 . . . . . . . . 6899 1 472 . 1 1 43 43 LEU CB C 13 42.448 0.200 . 1 . . . . . . . . 6899 1 473 . 1 1 43 43 LEU CG C 13 26.913 0.200 . 1 . . . . . . . . 6899 1 474 . 1 1 43 43 LEU CD1 C 13 25.057 0.200 . 1 . . . . . . . . 6899 1 475 . 1 1 43 43 LEU CD2 C 13 23.518 0.200 . 1 . . . . . . . . 6899 1 476 . 1 1 43 43 LEU N N 15 120.060 0.200 . 1 . . . . . . . . 6899 1 477 . 1 1 44 44 HIS H H 1 8.302 0.020 . 1 . . . . . . . . 6899 1 478 . 1 1 44 44 HIS HA H 1 4.762 0.020 . 1 . . . . . . . . 6899 1 479 . 1 1 44 44 HIS HB2 H 1 3.264 0.020 . 1 . . . . . . . . 6899 1 480 . 1 1 44 44 HIS HB3 H 1 3.174 0.020 . 1 . . . . . . . . 6899 1 481 . 1 1 44 44 HIS HD2 H 1 7.153 0.002 . 1 . . . . . . . . 6899 1 482 . 1 1 44 44 HIS HE1 H 1 8.139 0.002 . 1 . . . . . . . . 6899 1 483 . 1 1 44 44 HIS CA C 13 56.134 0.200 . 1 . . . . . . . . 6899 1 484 . 1 1 44 44 HIS CB C 13 29.940 0.200 . 1 . . . . . . . . 6899 1 485 . 1 1 44 44 HIS CD2 C 13 119.752 0.200 . 1 . . . . . . . . 6899 1 486 . 1 1 44 44 HIS CE1 C 13 137.412 0.200 . 1 . . . . . . . . 6899 1 487 . 1 1 44 44 HIS N N 15 119.186 0.200 . 1 . . . . . . . . 6899 1 488 . 1 1 45 45 THR H H 1 8.271 0.020 . 1 . . . . . . . . 6899 1 489 . 1 1 45 45 THR HA H 1 4.365 0.020 . 1 . . . . . . . . 6899 1 490 . 1 1 45 45 THR HB H 1 4.243 0.020 . 1 . . . . . . . . 6899 1 491 . 1 1 45 45 THR HG21 H 1 1.243 0.020 . 1 . . . . . . . . 6899 1 492 . 1 1 45 45 THR HG22 H 1 1.243 0.020 . 1 . . . . . . . . 6899 1 493 . 1 1 45 45 THR HG23 H 1 1.243 0.020 . 1 . . . . . . . . 6899 1 494 . 1 1 45 45 THR CA C 13 62.235 0.200 . 1 . . . . . . . . 6899 1 495 . 1 1 45 45 THR CB C 13 70.001 0.200 . 1 . . . . . . . . 6899 1 496 . 1 1 45 45 THR CG2 C 13 21.733 0.200 . 1 . . . . . . . . 6899 1 497 . 1 1 45 45 THR N N 15 115.669 0.200 . 1 . . . . . . . . 6899 1 498 . 1 1 46 46 LYS H H 1 8.498 0.020 . 1 . . . . . . . . 6899 1 499 . 1 1 46 46 LYS HA H 1 4.295 0.020 . 1 . . . . . . . . 6899 1 500 . 1 1 46 46 LYS HB2 H 1 1.896 0.020 . 2 . . . . . . . . 6899 1 501 . 1 1 46 46 LYS HG2 H 1 1.538 0.020 . 1 . . . . . . . . 6899 1 502 . 1 1 46 46 LYS HG3 H 1 1.470 0.020 . 1 . . . . . . . . 6899 1 503 . 1 1 46 46 LYS HD2 H 1 1.746 0.020 . 2 . . . . . . . . 6899 1 504 . 1 1 46 46 LYS HE2 H 1 2.985 0.020 . 2 . . . . . . . . 6899 1 505 . 1 1 46 46 LYS CA C 13 57.223 0.200 . 1 . . . . . . . . 6899 1 506 . 1 1 46 46 LYS CB C 13 32.652 0.200 . 1 . . . . . . . . 6899 1 507 . 1 1 46 46 LYS CG C 13 24.844 0.200 . 1 . . . . . . . . 6899 1 508 . 1 1 46 46 LYS CD C 13 29.243 0.200 . 1 . . . . . . . . 6899 1 509 . 1 1 46 46 LYS CE C 13 42.018 0.200 . 1 . . . . . . . . 6899 1 510 . 1 1 46 46 LYS N N 15 123.906 0.200 . 1 . . . . . . . . 6899 1 511 . 1 1 47 47 GLY H H 1 8.726 0.020 . 1 . . . . . . . . 6899 1 512 . 1 1 47 47 GLY HA2 H 1 4.131 0.020 . 2 . . . . . . . . 6899 1 513 . 1 1 47 47 GLY HA3 H 1 3.901 0.020 . 1 . . . . . . . . 6899 1 514 . 1 1 47 47 GLY CA C 13 45.322 0.200 . 1 . . . . . . . . 6899 1 515 . 1 1 47 47 GLY N N 15 110.588 0.200 . 1 . . . . . . . . 6899 1 516 . 1 1 48 48 ARG H H 1 7.982 0.020 . 1 . . . . . . . . 6899 1 517 . 1 1 48 48 ARG HA H 1 4.757 0.020 . 1 . . . . . . . . 6899 1 518 . 1 1 48 48 ARG HB2 H 1 1.894 0.020 . 1 . . . . . . . . 6899 1 519 . 1 1 48 48 ARG HB3 H 1 1.780 0.020 . 1 . . . . . . . . 6899 1 520 . 1 1 48 48 ARG HG2 H 1 1.669 0.020 . 2 . . . . . . . . 6899 1 521 . 1 1 48 48 ARG HD2 H 1 3.252 0.020 . 2 . . . . . . . . 6899 1 522 . 1 1 48 48 ARG CA C 13 53.867 0.200 . 1 . . . . . . . . 6899 1 523 . 1 1 48 48 ARG CB C 13 30.556 0.200 . 1 . . . . . . . . 6899 1 524 . 1 1 48 48 ARG CG C 13 26.876 0.200 . 1 . . . . . . . . 6899 1 525 . 1 1 48 48 ARG CD C 13 43.501 0.200 . 1 . . . . . . . . 6899 1 526 . 1 1 48 48 ARG N N 15 120.880 0.200 . 1 . . . . . . . . 6899 1 527 . 1 1 49 49 PRO HA H 1 4.480 0.020 . 1 . . . . . . . . 6899 1 528 . 1 1 49 49 PRO HB2 H 1 2.263 0.020 . 1 . . . . . . . . 6899 1 529 . 1 1 49 49 PRO HB3 H 1 1.844 0.020 . 1 . . . . . . . . 6899 1 530 . 1 1 49 49 PRO HG2 H 1 2.034 0.020 . 2 . . . . . . . . 6899 1 531 . 1 1 49 49 PRO HD2 H 1 3.834 0.020 . 1 . . . . . . . . 6899 1 532 . 1 1 49 49 PRO HD3 H 1 3.666 0.020 . 1 . . . . . . . . 6899 1 533 . 1 1 49 49 PRO CA C 13 63.470 0.200 . 1 . . . . . . . . 6899 1 534 . 1 1 49 49 PRO CB C 13 31.904 0.200 . 1 . . . . . . . . 6899 1 535 . 1 1 49 49 PRO CG C 13 27.427 0.200 . 1 . . . . . . . . 6899 1 536 . 1 1 49 49 PRO CD C 13 50.682 0.200 . 1 . . . . . . . . 6899 1 537 . 1 1 50 50 PHE H H 1 8.353 0.020 . 1 . . . . . . . . 6899 1 538 . 1 1 50 50 PHE HA H 1 4.673 0.020 . 1 . . . . . . . . 6899 1 539 . 1 1 50 50 PHE HB2 H 1 3.108 0.001 . 2 . . . . . . . . 6899 1 540 . 1 1 50 50 PHE HD1 H 1 7.254 0.020 . 4 . . . . . . . . 6899 1 541 . 1 1 50 50 PHE CA C 13 57.718 0.200 . 1 . . . . . . . . 6899 1 542 . 1 1 50 50 PHE CB C 13 40.029 0.200 . 1 . . . . . . . . 6899 1 543 . 1 1 50 50 PHE CD1 C 13 131.889 0.011 . 1 . . . . . . . . 6899 1 544 . 1 1 50 50 PHE N N 15 120.790 0.200 . 1 . . . . . . . . 6899 1 545 . 1 1 51 51 ARG H H 1 8.395 0.020 . 1 . . . . . . . . 6899 1 546 . 1 1 51 51 ARG HA H 1 4.369 0.020 . 1 . . . . . . . . 6899 1 547 . 1 1 51 51 ARG HB2 H 1 1.882 0.020 . 1 . . . . . . . . 6899 1 548 . 1 1 51 51 ARG HB3 H 1 1.735 0.020 . 1 . . . . . . . . 6899 1 549 . 1 1 51 51 ARG HG2 H 1 1.613 0.020 . 2 . . . . . . . . 6899 1 550 . 1 1 51 51 ARG HD2 H 1 3.215 0.020 . 2 . . . . . . . . 6899 1 551 . 1 1 51 51 ARG CA C 13 55.894 0.200 . 1 . . . . . . . . 6899 1 552 . 1 1 51 51 ARG CB C 13 31.050 0.200 . 1 . . . . . . . . 6899 1 553 . 1 1 51 51 ARG CG C 13 26.961 0.200 . 1 . . . . . . . . 6899 1 554 . 1 1 51 51 ARG CD C 13 43.388 0.200 . 1 . . . . . . . . 6899 1 555 . 1 1 51 51 ARG N N 15 124.154 0.200 . 1 . . . . . . . . 6899 1 556 . 1 1 52 52 GLY H H 1 7.826 0.020 . 1 . . . . . . . . 6899 1 557 . 1 1 52 52 GLY HA2 H 1 3.854 0.020 . 2 . . . . . . . . 6899 1 558 . 1 1 52 52 GLY HA3 H 1 4.044 0.001 . 1 . . . . . . . . 6899 1 559 . 1 1 52 52 GLY CA C 13 45.048 0.200 . 1 . . . . . . . . 6899 1 560 . 1 1 52 52 GLY N N 15 109.790 0.200 . 1 . . . . . . . . 6899 1 561 . 1 1 53 53 MET H H 1 8.614 0.020 . 1 . . . . . . . . 6899 1 562 . 1 1 53 53 MET HA H 1 4.603 0.020 . 1 . . . . . . . . 6899 1 563 . 1 1 53 53 MET HB2 H 1 2.105 0.020 . 2 . . . . . . . . 6899 1 564 . 1 1 53 53 MET HG2 H 1 2.700 0.020 . 2 . . . . . . . . 6899 1 565 . 1 1 53 53 MET HE1 H 1 2.119 0.020 . 1 . . . . . . . . 6899 1 566 . 1 1 53 53 MET HE2 H 1 2.119 0.020 . 1 . . . . . . . . 6899 1 567 . 1 1 53 53 MET HE3 H 1 2.119 0.020 . 1 . . . . . . . . 6899 1 568 . 1 1 53 53 MET CA C 13 56.436 0.200 . 1 . . . . . . . . 6899 1 569 . 1 1 53 53 MET CB C 13 35.250 0.200 . 1 . . . . . . . . 6899 1 570 . 1 1 53 53 MET CG C 13 32.427 0.200 . 1 . . . . . . . . 6899 1 571 . 1 1 53 53 MET CE C 13 17.166 0.200 . 1 . . . . . . . . 6899 1 572 . 1 1 53 53 MET N N 15 121.070 0.200 . 1 . . . . . . . . 6899 1 573 . 1 1 54 54 SER H H 1 9.032 0.020 . 1 . . . . . . . . 6899 1 574 . 1 1 54 54 SER HA H 1 4.778 0.020 . 1 . . . . . . . . 6899 1 575 . 1 1 54 54 SER HB2 H 1 4.522 0.020 . 1 . . . . . . . . 6899 1 576 . 1 1 54 54 SER HB3 H 1 4.152 0.020 . 1 . . . . . . . . 6899 1 577 . 1 1 54 54 SER CA C 13 57.561 0.200 . 1 . . . . . . . . 6899 1 578 . 1 1 54 54 SER CB C 13 65.759 0.200 . 1 . . . . . . . . 6899 1 579 . 1 1 54 54 SER N N 15 120.495 0.200 . 1 . . . . . . . . 6899 1 580 . 1 1 55 55 GLU H H 1 9.083 0.020 . 1 . . . . . . . . 6899 1 581 . 1 1 55 55 GLU HA H 1 3.927 0.020 . 1 . . . . . . . . 6899 1 582 . 1 1 55 55 GLU HB2 H 1 2.246 0.020 . 1 . . . . . . . . 6899 1 583 . 1 1 55 55 GLU HB3 H 1 2.096 0.020 . 1 . . . . . . . . 6899 1 584 . 1 1 55 55 GLU HG2 H 1 2.432 0.020 . 2 . . . . . . . . 6899 1 585 . 1 1 55 55 GLU CA C 13 60.809 0.200 . 1 . . . . . . . . 6899 1 586 . 1 1 55 55 GLU CB C 13 29.433 0.200 . 1 . . . . . . . . 6899 1 587 . 1 1 55 55 GLU CG C 13 37.773 0.200 . 1 . . . . . . . . 6899 1 588 . 1 1 55 55 GLU N N 15 121.258 0.200 . 1 . . . . . . . . 6899 1 589 . 1 1 56 56 GLU H H 1 8.752 0.020 . 1 . . . . . . . . 6899 1 590 . 1 1 56 56 GLU HA H 1 4.194 0.020 . 1 . . . . . . . . 6899 1 591 . 1 1 56 56 GLU HB2 H 1 2.069 0.020 . 1 . . . . . . . . 6899 1 592 . 1 1 56 56 GLU HB3 H 1 2.166 0.020 . 1 . . . . . . . . 6899 1 593 . 1 1 56 56 GLU HG2 H 1 2.396 0.020 . 2 . . . . . . . . 6899 1 594 . 1 1 56 56 GLU CA C 13 60.096 0.200 . 1 . . . . . . . . 6899 1 595 . 1 1 56 56 GLU CB C 13 29.319 0.200 . 1 . . . . . . . . 6899 1 596 . 1 1 56 56 GLU CG C 13 36.918 0.200 . 1 . . . . . . . . 6899 1 597 . 1 1 56 56 GLU N N 15 118.514 0.200 . 1 . . . . . . . . 6899 1 598 . 1 1 57 57 GLU H H 1 7.999 0.020 . 1 . . . . . . . . 6899 1 599 . 1 1 57 57 GLU HA H 1 4.150 0.020 . 1 . . . . . . . . 6899 1 600 . 1 1 57 57 GLU HB2 H 1 2.100 0.020 . 2 . . . . . . . . 6899 1 601 . 1 1 57 57 GLU HG2 H 1 2.428 0.020 . 1 . . . . . . . . 6899 1 602 . 1 1 57 57 GLU HG3 H 1 2.387 0.020 . 1 . . . . . . . . 6899 1 603 . 1 1 57 57 GLU CA C 13 59.445 0.200 . 1 . . . . . . . . 6899 1 604 . 1 1 57 57 GLU CB C 13 29.859 0.200 . 1 . . . . . . . . 6899 1 605 . 1 1 57 57 GLU CG C 13 35.777 0.200 . 1 . . . . . . . . 6899 1 606 . 1 1 57 57 GLU N N 15 120.880 0.200 . 1 . . . . . . . . 6899 1 607 . 1 1 58 58 VAL H H 1 8.209 0.020 . 1 . . . . . . . . 6899 1 608 . 1 1 58 58 VAL HA H 1 3.664 0.020 . 1 . . . . . . . . 6899 1 609 . 1 1 58 58 VAL HB H 1 2.119 0.020 . 1 . . . . . . . . 6899 1 610 . 1 1 58 58 VAL HG11 H 1 0.826 0.020 . 1 . . . . . . . . 6899 1 611 . 1 1 58 58 VAL HG12 H 1 0.826 0.020 . 1 . . . . . . . . 6899 1 612 . 1 1 58 58 VAL HG13 H 1 0.826 0.020 . 1 . . . . . . . . 6899 1 613 . 1 1 58 58 VAL HG21 H 1 0.805 0.020 . 1 . . . . . . . . 6899 1 614 . 1 1 58 58 VAL HG22 H 1 0.805 0.020 . 1 . . . . . . . . 6899 1 615 . 1 1 58 58 VAL HG23 H 1 0.805 0.020 . 1 . . . . . . . . 6899 1 616 . 1 1 58 58 VAL CA C 13 66.622 0.200 . 1 . . . . . . . . 6899 1 617 . 1 1 58 58 VAL CB C 13 31.342 0.200 . 1 . . . . . . . . 6899 1 618 . 1 1 58 58 VAL CG1 C 13 23.127 0.200 . 1 . . . . . . . . 6899 1 619 . 1 1 58 58 VAL CG2 C 13 21.300 0.001 . 1 . . . . . . . . 6899 1 620 . 1 1 58 58 VAL N N 15 120.485 0.200 . 1 . . . . . . . . 6899 1 621 . 1 1 59 59 PHE H H 1 8.311 0.001 . 1 . . . . . . . . 6899 1 622 . 1 1 59 59 PHE HA H 1 3.985 0.001 . 1 . . . . . . . . 6899 1 623 . 1 1 59 59 PHE HB2 H 1 3.293 0.003 . 2 . . . . . . . . 6899 1 624 . 1 1 59 59 PHE HD1 H 1 7.374 0.003 . 4 . . . . . . . . 6899 1 625 . 1 1 59 59 PHE CA C 13 62.397 0.002 . 1 . . . . . . . . 6899 1 626 . 1 1 59 59 PHE CB C 13 38.783 0.021 . 1 . . . . . . . . 6899 1 627 . 1 1 59 59 PHE CD1 C 13 131.798 0.200 . 1 . . . . . . . . 6899 1 628 . 1 1 59 59 PHE N N 15 119.485 0.200 . 1 . . . . . . . . 6899 1 629 . 1 1 60 60 THR H H 1 8.291 0.020 . 1 . . . . . . . . 6899 1 630 . 1 1 60 60 THR HA H 1 3.877 0.020 . 1 . . . . . . . . 6899 1 631 . 1 1 60 60 THR HB H 1 4.384 0.020 . 1 . . . . . . . . 6899 1 632 . 1 1 60 60 THR HG21 H 1 1.299 0.020 . 1 . . . . . . . . 6899 1 633 . 1 1 60 60 THR HG22 H 1 1.299 0.020 . 1 . . . . . . . . 6899 1 634 . 1 1 60 60 THR HG23 H 1 1.299 0.020 . 1 . . . . . . . . 6899 1 635 . 1 1 60 60 THR CA C 13 66.928 0.200 . 1 . . . . . . . . 6899 1 636 . 1 1 60 60 THR CB C 13 68.853 0.200 . 1 . . . . . . . . 6899 1 637 . 1 1 60 60 THR CG2 C 13 21.776 0.200 . 1 . . . . . . . . 6899 1 638 . 1 1 60 60 THR N N 15 115.790 0.200 . 1 . . . . . . . . 6899 1 639 . 1 1 61 61 GLU H H 1 8.037 0.020 . 1 . . . . . . . . 6899 1 640 . 1 1 61 61 GLU HA H 1 4.143 0.004 . 1 . . . . . . . . 6899 1 641 . 1 1 61 61 GLU HB2 H 1 2.108 0.020 . 2 . . . . . . . . 6899 1 642 . 1 1 61 61 GLU HG2 H 1 2.440 0.020 . 2 . . . . . . . . 6899 1 643 . 1 1 61 61 GLU CA C 13 59.281 0.200 . 1 . . . . . . . . 6899 1 644 . 1 1 61 61 GLU CB C 13 29.385 0.200 . 1 . . . . . . . . 6899 1 645 . 1 1 61 61 GLU CG C 13 37.429 0.200 . 1 . . . . . . . . 6899 1 646 . 1 1 61 61 GLU N N 15 120.491 0.200 . 1 . . . . . . . . 6899 1 647 . 1 1 62 62 VAL H H 1 8.342 0.020 . 1 . . . . . . . . 6899 1 648 . 1 1 62 62 VAL HA H 1 3.116 0.020 . 1 . . . . . . . . 6899 1 649 . 1 1 62 62 VAL HB H 1 1.466 0.020 . 1 . . . . . . . . 6899 1 650 . 1 1 62 62 VAL HG11 H 1 0.550 0.020 . 1 . . . . . . . . 6899 1 651 . 1 1 62 62 VAL HG12 H 1 0.550 0.020 . 1 . . . . . . . . 6899 1 652 . 1 1 62 62 VAL HG13 H 1 0.550 0.020 . 1 . . . . . . . . 6899 1 653 . 1 1 62 62 VAL HG21 H 1 -0.026 0.020 . 1 . . . . . . . . 6899 1 654 . 1 1 62 62 VAL HG22 H 1 -0.026 0.020 . 1 . . . . . . . . 6899 1 655 . 1 1 62 62 VAL HG23 H 1 -0.026 0.020 . 1 . . . . . . . . 6899 1 656 . 1 1 62 62 VAL CA C 13 66.801 0.200 . 1 . . . . . . . . 6899 1 657 . 1 1 62 62 VAL CB C 13 30.949 0.200 . 1 . . . . . . . . 6899 1 658 . 1 1 62 62 VAL CG1 C 13 23.033 0.200 . 1 . . . . . . . . 6899 1 659 . 1 1 62 62 VAL CG2 C 13 21.110 0.200 . 1 . . . . . . . . 6899 1 660 . 1 1 62 62 VAL N N 15 120.879 0.200 . 1 . . . . . . . . 6899 1 661 . 1 1 63 63 ALA H H 1 8.534 0.020 . 1 . . . . . . . . 6899 1 662 . 1 1 63 63 ALA HA H 1 3.892 0.020 . 1 . . . . . . . . 6899 1 663 . 1 1 63 63 ALA HB1 H 1 1.326 0.001 . 1 . . . . . . . . 6899 1 664 . 1 1 63 63 ALA HB2 H 1 1.326 0.001 . 1 . . . . . . . . 6899 1 665 . 1 1 63 63 ALA HB3 H 1 1.326 0.001 . 1 . . . . . . . . 6899 1 666 . 1 1 63 63 ALA CA C 13 55.339 0.200 . 1 . . . . . . . . 6899 1 667 . 1 1 63 63 ALA CB C 13 17.588 0.200 . 1 . . . . . . . . 6899 1 668 . 1 1 63 63 ALA N N 15 122.156 0.200 . 1 . . . . . . . . 6899 1 669 . 1 1 64 64 ASN H H 1 7.503 0.020 . 1 . . . . . . . . 6899 1 670 . 1 1 64 64 ASN HA H 1 4.530 0.020 . 1 . . . . . . . . 6899 1 671 . 1 1 64 64 ASN HB2 H 1 2.902 0.001 . 1 . . . . . . . . 6899 1 672 . 1 1 64 64 ASN HB3 H 1 2.860 0.020 . 1 . . . . . . . . 6899 1 673 . 1 1 64 64 ASN HD21 H 1 7.761 0.001 . 1 . . . . . . . . 6899 1 674 . 1 1 64 64 ASN HD22 H 1 6.991 0.001 . 1 . . . . . . . . 6899 1 675 . 1 1 64 64 ASN CA C 13 55.618 0.200 . 1 . . . . . . . . 6899 1 676 . 1 1 64 64 ASN CB C 13 38.493 0.015 . 1 . . . . . . . . 6899 1 677 . 1 1 64 64 ASN N N 15 114.278 0.200 . 1 . . . . . . . . 6899 1 678 . 1 1 64 64 ASN ND2 N 15 113.540 0.001 . 1 . . . . . . . . 6899 1 679 . 1 1 65 65 LEU H H 1 7.684 0.020 . 1 . . . . . . . . 6899 1 680 . 1 1 65 65 LEU HA H 1 4.101 0.020 . 1 . . . . . . . . 6899 1 681 . 1 1 65 65 LEU HB2 H 1 1.526 0.020 . 1 . . . . . . . . 6899 1 682 . 1 1 65 65 LEU HB3 H 1 1.373 0.020 . 1 . . . . . . . . 6899 1 683 . 1 1 65 65 LEU HG H 1 1.655 0.020 . 1 . . . . . . . . 6899 1 684 . 1 1 65 65 LEU HD11 H 1 0.876 0.020 . 1 . . . . . . . . 6899 1 685 . 1 1 65 65 LEU HD12 H 1 0.876 0.020 . 1 . . . . . . . . 6899 1 686 . 1 1 65 65 LEU HD13 H 1 0.876 0.020 . 1 . . . . . . . . 6899 1 687 . 1 1 65 65 LEU HD21 H 1 0.824 0.020 . 1 . . . . . . . . 6899 1 688 . 1 1 65 65 LEU HD22 H 1 0.824 0.020 . 1 . . . . . . . . 6899 1 689 . 1 1 65 65 LEU HD23 H 1 0.824 0.020 . 1 . . . . . . . . 6899 1 690 . 1 1 65 65 LEU CA C 13 57.348 0.200 . 1 . . . . . . . . 6899 1 691 . 1 1 65 65 LEU CB C 13 42.427 0.200 . 1 . . . . . . . . 6899 1 692 . 1 1 65 65 LEU CG C 13 26.510 0.200 . 1 . . . . . . . . 6899 1 693 . 1 1 65 65 LEU CD1 C 13 24.603 0.200 . 1 . . . . . . . . 6899 1 694 . 1 1 65 65 LEU CD2 C 13 24.068 0.200 . 1 . . . . . . . . 6899 1 695 . 1 1 65 65 LEU N N 15 121.196 0.200 . 1 . . . . . . . . 6899 1 696 . 1 1 66 66 PHE H H 1 8.212 0.020 . 1 . . . . . . . . 6899 1 697 . 1 1 66 66 PHE HA H 1 4.960 0.020 . 1 . . . . . . . . 6899 1 698 . 1 1 66 66 PHE HB2 H 1 3.722 0.020 . 1 . . . . . . . . 6899 1 699 . 1 1 66 66 PHE HB3 H 1 2.991 0.020 . 1 . . . . . . . . 6899 1 700 . 1 1 66 66 PHE HD1 H 1 6.736 0.003 . 3 . . . . . . . . 6899 1 701 . 1 1 66 66 PHE HE1 H 1 6.877 0.001 . 3 . . . . . . . . 6899 1 702 . 1 1 66 66 PHE CA C 13 53.225 0.200 . 1 . . . . . . . . 6899 1 703 . 1 1 66 66 PHE CB C 13 36.683 0.200 . 1 . . . . . . . . 6899 1 704 . 1 1 66 66 PHE CD1 C 13 129.461 0.200 . 1 . . . . . . . . 6899 1 705 . 1 1 66 66 PHE CE1 C 13 130.623 0.200 . 1 . . . . . . . . 6899 1 706 . 1 1 66 66 PHE N N 15 114.820 0.200 . 1 . . . . . . . . 6899 1 707 . 1 1 67 67 ARG H H 1 7.062 0.020 . 1 . . . . . . . . 6899 1 708 . 1 1 67 67 ARG HA H 1 4.180 0.020 . 1 . . . . . . . . 6899 1 709 . 1 1 67 67 ARG HB2 H 1 2.086 0.020 . 1 . . . . . . . . 6899 1 710 . 1 1 67 67 ARG HB3 H 1 1.927 0.020 . 1 . . . . . . . . 6899 1 711 . 1 1 67 67 ARG HG2 H 1 1.879 0.020 . 1 . . . . . . . . 6899 1 712 . 1 1 67 67 ARG HG3 H 1 1.785 0.020 . 1 . . . . . . . . 6899 1 713 . 1 1 67 67 ARG HD2 H 1 3.358 0.001 . 2 . . . . . . . . 6899 1 714 . 1 1 67 67 ARG CA C 13 58.656 0.200 . 1 . . . . . . . . 6899 1 715 . 1 1 67 67 ARG CB C 13 29.778 0.200 . 1 . . . . . . . . 6899 1 716 . 1 1 67 67 ARG CG C 13 26.909 0.200 . 1 . . . . . . . . 6899 1 717 . 1 1 67 67 ARG CD C 13 43.506 0.200 . 1 . . . . . . . . 6899 1 718 . 1 1 67 67 ARG N N 15 120.803 0.200 . 1 . . . . . . . . 6899 1 719 . 1 1 68 68 GLY H H 1 9.435 0.020 . 1 . . . . . . . . 6899 1 720 . 1 1 68 68 GLY HA2 H 1 4.402 0.020 . 2 . . . . . . . . 6899 1 721 . 1 1 68 68 GLY HA3 H 1 3.955 0.020 . 1 . . . . . . . . 6899 1 722 . 1 1 68 68 GLY CA C 13 45.626 0.200 . 1 . . . . . . . . 6899 1 723 . 1 1 68 68 GLY N N 15 115.286 0.200 . 1 . . . . . . . . 6899 1 724 . 1 1 69 69 GLN H H 1 8.562 0.020 . 1 . . . . . . . . 6899 1 725 . 1 1 69 69 GLN HA H 1 4.847 0.010 . 1 . . . . . . . . 6899 1 726 . 1 1 69 69 GLN HB2 H 1 2.056 0.020 . 2 . . . . . . . . 6899 1 727 . 1 1 69 69 GLN HG2 H 1 2.350 0.020 . 1 . . . . . . . . 6899 1 728 . 1 1 69 69 GLN HG3 H 1 2.307 0.020 . 1 . . . . . . . . 6899 1 729 . 1 1 69 69 GLN HE21 H 1 7.626 0.001 . 1 . . . . . . . . 6899 1 730 . 1 1 69 69 GLN HE22 H 1 6.850 0.002 . 1 . . . . . . . . 6899 1 731 . 1 1 69 69 GLN CA C 13 52.607 0.200 . 1 . . . . . . . . 6899 1 732 . 1 1 69 69 GLN CB C 13 26.628 0.200 . 1 . . . . . . . . 6899 1 733 . 1 1 69 69 GLN CG C 13 31.959 0.200 . 1 . . . . . . . . 6899 1 734 . 1 1 69 69 GLN N N 15 120.461 0.200 . 1 . . . . . . . . 6899 1 735 . 1 1 69 69 GLN NE2 N 15 111.637 0.200 . 1 . . . . . . . . 6899 1 736 . 1 1 70 70 GLU H H 1 8.664 0.020 . 1 . . . . . . . . 6899 1 737 . 1 1 70 70 GLU HA H 1 4.000 0.020 . 1 . . . . . . . . 6899 1 738 . 1 1 70 70 GLU HB2 H 1 2.191 0.020 . 2 . . . . . . . . 6899 1 739 . 1 1 70 70 GLU HG2 H 1 2.567 0.020 . 1 . . . . . . . . 6899 1 740 . 1 1 70 70 GLU HG3 H 1 2.456 0.020 . 1 . . . . . . . . 6899 1 741 . 1 1 70 70 GLU CA C 13 61.000 0.200 . 1 . . . . . . . . 6899 1 742 . 1 1 70 70 GLU CB C 13 29.136 0.200 . 1 . . . . . . . . 6899 1 743 . 1 1 70 70 GLU CG C 13 37.155 0.200 . 1 . . . . . . . . 6899 1 744 . 1 1 70 70 GLU N N 15 120.458 0.200 . 1 . . . . . . . . 6899 1 745 . 1 1 71 71 ASP H H 1 9.033 0.020 . 1 . . . . . . . . 6899 1 746 . 1 1 71 71 ASP HA H 1 4.476 0.020 . 1 . . . . . . . . 6899 1 747 . 1 1 71 71 ASP HB2 H 1 2.888 0.020 . 1 . . . . . . . . 6899 1 748 . 1 1 71 71 ASP HB3 H 1 2.747 0.020 . 1 . . . . . . . . 6899 1 749 . 1 1 71 71 ASP CA C 13 56.486 0.200 . 1 . . . . . . . . 6899 1 750 . 1 1 71 71 ASP CB C 13 38.598 0.200 . 1 . . . . . . . . 6899 1 751 . 1 1 71 71 ASP N N 15 119.263 0.200 . 1 . . . . . . . . 6899 1 752 . 1 1 72 72 LEU H H 1 7.827 0.020 . 1 . . . . . . . . 6899 1 753 . 1 1 72 72 LEU HA H 1 4.300 0.020 . 1 . . . . . . . . 6899 1 754 . 1 1 72 72 LEU HB2 H 1 1.727 0.020 . 1 . . . . . . . . 6899 1 755 . 1 1 72 72 LEU HB3 H 1 1.164 0.020 . 1 . . . . . . . . 6899 1 756 . 1 1 72 72 LEU HG H 1 1.624 0.020 . 1 . . . . . . . . 6899 1 757 . 1 1 72 72 LEU HD11 H 1 0.277 0.020 . 1 . . . . . . . . 6899 1 758 . 1 1 72 72 LEU HD12 H 1 0.277 0.020 . 1 . . . . . . . . 6899 1 759 . 1 1 72 72 LEU HD13 H 1 0.277 0.020 . 1 . . . . . . . . 6899 1 760 . 1 1 72 72 LEU HD21 H 1 0.496 0.020 . 1 . . . . . . . . 6899 1 761 . 1 1 72 72 LEU HD22 H 1 0.496 0.020 . 1 . . . . . . . . 6899 1 762 . 1 1 72 72 LEU HD23 H 1 0.496 0.020 . 1 . . . . . . . . 6899 1 763 . 1 1 72 72 LEU CA C 13 56.991 0.200 . 1 . . . . . . . . 6899 1 764 . 1 1 72 72 LEU CB C 13 41.777 0.200 . 1 . . . . . . . . 6899 1 765 . 1 1 72 72 LEU CG C 13 26.507 0.200 . 1 . . . . . . . . 6899 1 766 . 1 1 72 72 LEU CD1 C 13 25.782 0.200 . 1 . . . . . . . . 6899 1 767 . 1 1 72 72 LEU CD2 C 13 22.156 0.200 . 1 . . . . . . . . 6899 1 768 . 1 1 72 72 LEU N N 15 119.525 0.200 . 1 . . . . . . . . 6899 1 769 . 1 1 73 73 LEU H H 1 8.098 0.020 . 1 . . . . . . . . 6899 1 770 . 1 1 73 73 LEU HA H 1 4.412 0.020 . 1 . . . . . . . . 6899 1 771 . 1 1 73 73 LEU HB2 H 1 1.994 0.020 . 2 . . . . . . . . 6899 1 772 . 1 1 73 73 LEU HG H 1 1.918 0.020 . 1 . . . . . . . . 6899 1 773 . 1 1 73 73 LEU HD11 H 1 1.000 0.020 . 1 . . . . . . . . 6899 1 774 . 1 1 73 73 LEU HD12 H 1 1.000 0.020 . 1 . . . . . . . . 6899 1 775 . 1 1 73 73 LEU HD13 H 1 1.000 0.020 . 1 . . . . . . . . 6899 1 776 . 1 1 73 73 LEU HD21 H 1 0.933 0.020 . 1 . . . . . . . . 6899 1 777 . 1 1 73 73 LEU HD22 H 1 0.933 0.020 . 1 . . . . . . . . 6899 1 778 . 1 1 73 73 LEU HD23 H 1 0.933 0.020 . 1 . . . . . . . . 6899 1 779 . 1 1 73 73 LEU CA C 13 57.713 0.200 . 1 . . . . . . . . 6899 1 780 . 1 1 73 73 LEU CB C 13 41.891 0.200 . 1 . . . . . . . . 6899 1 781 . 1 1 73 73 LEU CG C 13 27.156 0.200 . 1 . . . . . . . . 6899 1 782 . 1 1 73 73 LEU CD1 C 13 24.736 0.200 . 1 . . . . . . . . 6899 1 783 . 1 1 73 73 LEU CD2 C 13 24.215 0.200 . 1 . . . . . . . . 6899 1 784 . 1 1 73 73 LEU N N 15 119.880 0.200 . 1 . . . . . . . . 6899 1 785 . 1 1 74 74 SER H H 1 8.334 0.020 . 1 . . . . . . . . 6899 1 786 . 1 1 74 74 SER HA H 1 4.350 0.020 . 1 . . . . . . . . 6899 1 787 . 1 1 74 74 SER HB2 H 1 4.155 0.020 . 2 . . . . . . . . 6899 1 788 . 1 1 74 74 SER CA C 13 61.700 0.200 . 1 . . . . . . . . 6899 1 789 . 1 1 74 74 SER CB C 13 63.225 0.026 . 1 . . . . . . . . 6899 1 790 . 1 1 74 74 SER N N 15 115.501 0.200 . 1 . . . . . . . . 6899 1 791 . 1 1 75 75 GLU H H 1 7.950 0.020 . 1 . . . . . . . . 6899 1 792 . 1 1 75 75 GLU HA H 1 4.337 0.020 . 1 . . . . . . . . 6899 1 793 . 1 1 75 75 GLU HB2 H 1 2.150 0.020 . 2 . . . . . . . . 6899 1 794 . 1 1 75 75 GLU HG2 H 1 2.450 0.020 . 2 . . . . . . . . 6899 1 795 . 1 1 75 75 GLU CA C 13 57.433 0.200 . 1 . . . . . . . . 6899 1 796 . 1 1 75 75 GLU CB C 13 30.905 0.200 . 1 . . . . . . . . 6899 1 797 . 1 1 75 75 GLU CG C 13 36.591 0.200 . 1 . . . . . . . . 6899 1 798 . 1 1 75 75 GLU N N 15 119.063 0.200 . 1 . . . . . . . . 6899 1 799 . 1 1 76 76 PHE H H 1 7.893 0.020 . 1 . . . . . . . . 6899 1 800 . 1 1 76 76 PHE HA H 1 4.137 0.002 . 1 . . . . . . . . 6899 1 801 . 1 1 76 76 PHE HB2 H 1 3.844 0.005 . 1 . . . . . . . . 6899 1 802 . 1 1 76 76 PHE HB3 H 1 3.292 0.002 . 1 . . . . . . . . 6899 1 803 . 1 1 76 76 PHE HD1 H 1 7.500 0.003 . 3 . . . . . . . . 6899 1 804 . 1 1 76 76 PHE HE1 H 1 7.192 0.020 . 3 . . . . . . . . 6899 1 805 . 1 1 76 76 PHE HZ H 1 6.992 0.001 . 1 . . . . . . . . 6899 1 806 . 1 1 76 76 PHE CA C 13 62.368 0.059 . 1 . . . . . . . . 6899 1 807 . 1 1 76 76 PHE CB C 13 39.225 0.015 . 1 . . . . . . . . 6899 1 808 . 1 1 76 76 PHE CD1 C 13 132.346 0.033 . 1 . . . . . . . . 6899 1 809 . 1 1 76 76 PHE CE1 C 13 130.430 0.200 . 1 . . . . . . . . 6899 1 810 . 1 1 76 76 PHE CZ C 13 129.499 0.200 . 1 . . . . . . . . 6899 1 811 . 1 1 76 76 PHE N N 15 121.440 0.200 . 1 . . . . . . . . 6899 1 812 . 1 1 77 77 GLY H H 1 8.504 0.020 . 1 . . . . . . . . 6899 1 813 . 1 1 77 77 GLY HA2 H 1 3.802 0.020 . 2 . . . . . . . . 6899 1 814 . 1 1 77 77 GLY HA3 H 1 4.090 0.002 . 1 . . . . . . . . 6899 1 815 . 1 1 77 77 GLY CA C 13 46.981 0.030 . 1 . . . . . . . . 6899 1 816 . 1 1 77 77 GLY N N 15 103.812 0.200 . 1 . . . . . . . . 6899 1 817 . 1 1 78 78 GLN H H 1 7.476 0.020 . 1 . . . . . . . . 6899 1 818 . 1 1 78 78 GLN HA H 1 4.248 0.020 . 1 . . . . . . . . 6899 1 819 . 1 1 78 78 GLN HB2 H 1 2.070 0.020 . 2 . . . . . . . . 6899 1 820 . 1 1 78 78 GLN HG2 H 1 2.339 0.020 . 1 . . . . . . . . 6899 1 821 . 1 1 78 78 GLN HG3 H 1 2.295 0.020 . 1 . . . . . . . . 6899 1 822 . 1 1 78 78 GLN HE21 H 1 7.604 0.020 . 1 . . . . . . . . 6899 1 823 . 1 1 78 78 GLN HE22 H 1 6.903 0.020 . 1 . . . . . . . . 6899 1 824 . 1 1 78 78 GLN CA C 13 57.063 0.200 . 1 . . . . . . . . 6899 1 825 . 1 1 78 78 GLN CB C 13 28.978 0.200 . 1 . . . . . . . . 6899 1 826 . 1 1 78 78 GLN CG C 13 34.061 0.200 . 1 . . . . . . . . 6899 1 827 . 1 1 78 78 GLN N N 15 117.488 0.200 . 1 . . . . . . . . 6899 1 828 . 1 1 78 78 GLN NE2 N 15 112.109 0.200 . 1 . . . . . . . . 6899 1 829 . 1 1 79 79 PHE H H 1 7.550 0.020 . 1 . . . . . . . . 6899 1 830 . 1 1 79 79 PHE HA H 1 4.441 0.020 . 1 . . . . . . . . 6899 1 831 . 1 1 79 79 PHE HB2 H 1 2.803 0.020 . 1 . . . . . . . . 6899 1 832 . 1 1 79 79 PHE HB3 H 1 2.692 0.020 . 1 . . . . . . . . 6899 1 833 . 1 1 79 79 PHE HD1 H 1 7.179 0.020 . 4 . . . . . . . . 6899 1 834 . 1 1 79 79 PHE CB C 13 39.366 0.200 . 1 . . . . . . . . 6899 1 835 . 1 1 79 79 PHE CD1 C 13 132.740 0.200 . 1 . . . . . . . . 6899 1 836 . 1 1 79 79 PHE N N 15 120.488 0.200 . 1 . . . . . . . . 6899 1 837 . 1 1 80 80 LEU HB2 H 1 1.635 0.020 . 1 . . . . . . . . 6899 1 838 . 1 1 80 80 LEU HB3 H 1 1.048 0.020 . 1 . . . . . . . . 6899 1 839 . 1 1 80 80 LEU HG H 1 1.480 0.020 . 1 . . . . . . . . 6899 1 840 . 1 1 80 80 LEU HD11 H 1 0.725 0.020 . 1 . . . . . . . . 6899 1 841 . 1 1 80 80 LEU HD12 H 1 0.725 0.020 . 1 . . . . . . . . 6899 1 842 . 1 1 80 80 LEU HD13 H 1 0.725 0.020 . 1 . . . . . . . . 6899 1 843 . 1 1 80 80 LEU HD21 H 1 0.744 0.001 . 1 . . . . . . . . 6899 1 844 . 1 1 80 80 LEU HD22 H 1 0.744 0.001 . 1 . . . . . . . . 6899 1 845 . 1 1 80 80 LEU HD23 H 1 0.744 0.001 . 1 . . . . . . . . 6899 1 846 . 1 1 80 80 LEU CB C 13 39.318 0.200 . 1 . . . . . . . . 6899 1 847 . 1 1 80 80 LEU CD1 C 13 23.735 0.200 . 1 . . . . . . . . 6899 1 848 . 1 1 80 80 LEU CD2 C 13 24.955 0.013 . 1 . . . . . . . . 6899 1 849 . 1 1 81 81 PRO HA H 1 4.335 0.020 . 1 . . . . . . . . 6899 1 850 . 1 1 81 81 PRO HB2 H 1 2.406 0.020 . 1 . . . . . . . . 6899 1 851 . 1 1 81 81 PRO HB3 H 1 1.878 0.020 . 1 . . . . . . . . 6899 1 852 . 1 1 81 81 PRO HG2 H 1 2.119 0.020 . 1 . . . . . . . . 6899 1 853 . 1 1 81 81 PRO HG3 H 1 2.031 0.020 . 1 . . . . . . . . 6899 1 854 . 1 1 81 81 PRO HD2 H 1 3.638 0.020 . 1 . . . . . . . . 6899 1 855 . 1 1 81 81 PRO HD3 H 1 3.495 0.020 . 1 . . . . . . . . 6899 1 856 . 1 1 81 81 PRO CA C 13 65.578 0.200 . 1 . . . . . . . . 6899 1 857 . 1 1 81 81 PRO CB C 13 31.444 0.200 . 1 . . . . . . . . 6899 1 858 . 1 1 81 81 PRO CG C 13 28.149 0.200 . 1 . . . . . . . . 6899 1 859 . 1 1 81 81 PRO CD C 13 50.476 0.200 . 1 . . . . . . . . 6899 1 860 . 1 1 82 82 GLU HA H 1 4.218 0.020 . 1 . . . . . . . . 6899 1 861 . 1 1 82 82 GLU HB2 H 1 2.396 0.020 . 2 . . . . . . . . 6899 1 862 . 1 1 82 82 GLU HG2 H 1 2.305 0.020 . 2 . . . . . . . . 6899 1 863 . 1 1 82 82 GLU CA C 13 58.101 0.200 . 1 . . . . . . . . 6899 1 864 . 1 1 82 82 GLU CB C 13 34.177 0.200 . 1 . . . . . . . . 6899 1 865 . 1 1 82 82 GLU CG C 13 36.559 0.200 . 1 . . . . . . . . 6899 1 866 . 1 1 83 83 ALA HA H 1 3.936 0.020 . 1 . . . . . . . . 6899 1 867 . 1 1 83 83 ALA HB1 H 1 1.082 0.020 . 1 . . . . . . . . 6899 1 868 . 1 1 83 83 ALA HB2 H 1 1.082 0.020 . 1 . . . . . . . . 6899 1 869 . 1 1 83 83 ALA HB3 H 1 1.082 0.020 . 1 . . . . . . . . 6899 1 870 . 1 1 83 83 ALA CA C 13 54.296 0.200 . 1 . . . . . . . . 6899 1 871 . 1 1 83 83 ALA CB C 13 18.362 0.200 . 1 . . . . . . . . 6899 1 872 . 1 1 84 84 LYS H H 1 8.033 0.020 . 1 . . . . . . . . 6899 1 873 . 1 1 84 84 LYS HA H 1 4.108 0.020 . 1 . . . . . . . . 6899 1 874 . 1 1 84 84 LYS HB2 H 1 1.973 0.020 . 2 . . . . . . . . 6899 1 875 . 1 1 84 84 LYS HG2 H 1 1.525 0.020 . 1 . . . . . . . . 6899 1 876 . 1 1 84 84 LYS HG3 H 1 1.443 0.020 . 1 . . . . . . . . 6899 1 877 . 1 1 84 84 LYS HD2 H 1 1.731 0.020 . 2 . . . . . . . . 6899 1 878 . 1 1 84 84 LYS HE2 H 1 2.977 0.020 . 2 . . . . . . . . 6899 1 879 . 1 1 84 84 LYS CA C 13 58.405 0.200 . 1 . . . . . . . . 6899 1 880 . 1 1 84 84 LYS CB C 13 32.822 0.200 . 1 . . . . . . . . 6899 1 881 . 1 1 84 84 LYS CG C 13 25.104 0.200 . 1 . . . . . . . . 6899 1 882 . 1 1 84 84 LYS CD C 13 29.373 0.200 . 1 . . . . . . . . 6899 1 883 . 1 1 84 84 LYS CE C 13 42.152 0.200 . 1 . . . . . . . . 6899 1 884 . 1 1 84 84 LYS N N 15 116.013 0.200 . 1 . . . . . . . . 6899 1 885 . 1 1 85 85 ARG H H 1 7.625 0.020 . 1 . . . . . . . . 6899 1 886 . 1 1 85 85 ARG HA H 1 4.331 0.020 . 1 . . . . . . . . 6899 1 887 . 1 1 85 85 ARG HB2 H 1 1.957 0.020 . 2 . . . . . . . . 6899 1 888 . 1 1 85 85 ARG HG2 H 1 1.799 0.020 . 1 . . . . . . . . 6899 1 889 . 1 1 85 85 ARG HG3 H 1 1.702 0.020 . 1 . . . . . . . . 6899 1 890 . 1 1 85 85 ARG HD2 H 1 3.255 0.020 . 2 . . . . . . . . 6899 1 891 . 1 1 85 85 ARG CA C 13 57.786 0.200 . 1 . . . . . . . . 6899 1 892 . 1 1 85 85 ARG CB C 13 31.201 0.200 . 1 . . . . . . . . 6899 1 893 . 1 1 85 85 ARG CG C 13 27.665 0.200 . 1 . . . . . . . . 6899 1 894 . 1 1 85 85 ARG CD C 13 43.653 0.200 . 1 . . . . . . . . 6899 1 895 . 1 1 85 85 ARG N N 15 119.610 0.200 . 1 . . . . . . . . 6899 1 896 . 1 1 86 86 SER H H 1 8.102 0.020 . 1 . . . . . . . . 6899 1 897 . 1 1 86 86 SER HA H 1 4.549 0.020 . 1 . . . . . . . . 6899 1 898 . 1 1 86 86 SER HB2 H 1 3.891 0.020 . 2 . . . . . . . . 6899 1 899 . 1 1 86 86 SER CA C 13 59.527 0.200 . 1 . . . . . . . . 6899 1 900 . 1 1 86 86 SER CB C 13 64.371 0.200 . 1 . . . . . . . . 6899 1 901 . 1 1 86 86 SER N N 15 113.380 0.200 . 1 . . . . . . . . 6899 1 902 . 1 1 87 87 LEU H H 1 8.107 0.020 . 1 . . . . . . . . 6899 1 903 . 1 1 87 87 LEU HA H 1 4.374 0.020 . 1 . . . . . . . . 6899 1 904 . 1 1 87 87 LEU HB2 H 1 1.510 0.020 . 1 . . . . . . . . 6899 1 905 . 1 1 87 87 LEU HB3 H 1 1.347 0.020 . 1 . . . . . . . . 6899 1 906 . 1 1 87 87 LEU HG H 1 1.591 0.020 . 1 . . . . . . . . 6899 1 907 . 1 1 87 87 LEU HD11 H 1 0.911 0.020 . 1 . . . . . . . . 6899 1 908 . 1 1 87 87 LEU HD12 H 1 0.911 0.020 . 1 . . . . . . . . 6899 1 909 . 1 1 87 87 LEU HD13 H 1 0.911 0.020 . 1 . . . . . . . . 6899 1 910 . 1 1 87 87 LEU HD21 H 1 0.842 0.020 . 1 . . . . . . . . 6899 1 911 . 1 1 87 87 LEU HD22 H 1 0.842 0.020 . 1 . . . . . . . . 6899 1 912 . 1 1 87 87 LEU HD23 H 1 0.842 0.020 . 1 . . . . . . . . 6899 1 913 . 1 1 87 87 LEU CA C 13 55.944 0.200 . 1 . . . . . . . . 6899 1 914 . 1 1 87 87 LEU CB C 13 42.646 0.200 . 1 . . . . . . . . 6899 1 915 . 1 1 87 87 LEU CG C 13 26.966 0.200 . 1 . . . . . . . . 6899 1 916 . 1 1 87 87 LEU CD1 C 13 25.093 0.200 . 1 . . . . . . . . 6899 1 917 . 1 1 87 87 LEU CD2 C 13 23.830 0.200 . 1 . . . . . . . . 6899 1 918 . 1 1 87 87 LEU N N 15 121.919 0.200 . 1 . . . . . . . . 6899 1 919 . 1 1 88 88 PHE H H 1 8.177 0.020 . 1 . . . . . . . . 6899 1 920 . 1 1 88 88 PHE HA H 1 4.846 0.020 . 1 . . . . . . . . 6899 1 921 . 1 1 88 88 PHE HB2 H 1 3.354 0.001 . 1 . . . . . . . . 6899 1 922 . 1 1 88 88 PHE HB3 H 1 3.119 0.020 . 1 . . . . . . . . 6899 1 923 . 1 1 88 88 PHE HD1 H 1 7.316 0.002 . 4 . . . . . . . . 6899 1 924 . 1 1 88 88 PHE CA C 13 57.449 0.200 . 1 . . . . . . . . 6899 1 925 . 1 1 88 88 PHE CB C 13 39.129 0.013 . 1 . . . . . . . . 6899 1 926 . 1 1 88 88 PHE CD1 C 13 132.129 0.200 . 1 . . . . . . . . 6899 1 927 . 1 1 88 88 PHE N N 15 118.083 0.200 . 1 . . . . . . . . 6899 1 928 . 1 1 89 89 THR H H 1 8.039 0.020 . 1 . . . . . . . . 6899 1 929 . 1 1 89 89 THR HA H 1 4.480 0.020 . 1 . . . . . . . . 6899 1 930 . 1 1 89 89 THR HB H 1 4.376 0.020 . 1 . . . . . . . . 6899 1 931 . 1 1 89 89 THR HG21 H 1 1.263 0.020 . 1 . . . . . . . . 6899 1 932 . 1 1 89 89 THR HG22 H 1 1.263 0.020 . 1 . . . . . . . . 6899 1 933 . 1 1 89 89 THR HG23 H 1 1.263 0.020 . 1 . . . . . . . . 6899 1 934 . 1 1 89 89 THR CA C 13 61.940 0.200 . 1 . . . . . . . . 6899 1 935 . 1 1 89 89 THR CB C 13 69.976 0.200 . 1 . . . . . . . . 6899 1 936 . 1 1 89 89 THR CG2 C 13 21.628 0.200 . 1 . . . . . . . . 6899 1 937 . 1 1 89 89 THR N N 15 112.714 0.200 . 1 . . . . . . . . 6899 1 938 . 1 1 90 90 GLY H H 1 8.180 0.020 . 1 . . . . . . . . 6899 1 939 . 1 1 90 90 GLY HA2 H 1 4.133 0.020 . 2 . . . . . . . . 6899 1 940 . 1 1 90 90 GLY HA3 H 1 3.903 0.020 . 1 . . . . . . . . 6899 1 941 . 1 1 90 90 GLY CA C 13 45.437 0.200 . 1 . . . . . . . . 6899 1 942 . 1 1 90 90 GLY N N 15 110.361 0.200 . 1 . . . . . . . . 6899 1 943 . 1 1 91 91 ASN H H 1 8.520 0.020 . 1 . . . . . . . . 6899 1 944 . 1 1 91 91 ASN HA H 1 4.835 0.020 . 1 . . . . . . . . 6899 1 945 . 1 1 91 91 ASN HB2 H 1 2.942 0.020 . 2 . . . . . . . . 6899 1 946 . 1 1 91 91 ASN CA C 13 53.521 0.200 . 1 . . . . . . . . 6899 1 947 . 1 1 91 91 ASN CB C 13 39.051 0.200 . 1 . . . . . . . . 6899 1 948 . 1 1 91 91 ASN N N 15 118.813 0.200 . 1 . . . . . . . . 6899 1 949 . 1 1 92 92 GLY H H 1 8.602 0.020 . 1 . . . . . . . . 6899 1 950 . 1 1 92 92 GLY HA2 H 1 4.044 0.020 . 2 . . . . . . . . 6899 1 951 . 1 1 92 92 GLY HA3 H 1 4.040 0.020 . 1 . . . . . . . . 6899 1 952 . 1 1 92 92 GLY CA C 13 45.502 0.200 . 1 . . . . . . . . 6899 1 953 . 1 1 92 92 GLY N N 15 109.596 0.200 . 1 . . . . . . . . 6899 1 954 . 1 1 93 93 SER H H 1 8.291 0.020 . 1 . . . . . . . . 6899 1 955 . 1 1 93 93 SER HA H 1 4.461 0.020 . 1 . . . . . . . . 6899 1 956 . 1 1 93 93 SER HB2 H 1 3.896 0.020 . 2 . . . . . . . . 6899 1 957 . 1 1 93 93 SER CA C 13 58.695 0.200 . 1 . . . . . . . . 6899 1 958 . 1 1 93 93 SER CB C 13 63.952 0.200 . 1 . . . . . . . . 6899 1 959 . 1 1 93 93 SER N N 15 115.873 0.200 . 1 . . . . . . . . 6899 1 960 . 1 1 94 94 ALA H H 1 8.526 0.020 . 1 . . . . . . . . 6899 1 961 . 1 1 94 94 ALA HA H 1 4.391 0.020 . 1 . . . . . . . . 6899 1 962 . 1 1 94 94 ALA HB1 H 1 1.477 0.001 . 1 . . . . . . . . 6899 1 963 . 1 1 94 94 ALA HB2 H 1 1.477 0.001 . 1 . . . . . . . . 6899 1 964 . 1 1 94 94 ALA HB3 H 1 1.477 0.001 . 1 . . . . . . . . 6899 1 965 . 1 1 94 94 ALA CA C 13 53.097 0.200 . 1 . . . . . . . . 6899 1 966 . 1 1 94 94 ALA CB C 13 19.263 0.200 . 1 . . . . . . . . 6899 1 967 . 1 1 94 94 ALA N N 15 125.773 0.200 . 1 . . . . . . . . 6899 1 968 . 1 1 95 95 GLU H H 1 8.437 0.020 . 1 . . . . . . . . 6899 1 969 . 1 1 95 95 GLU HA H 1 4.325 0.020 . 1 . . . . . . . . 6899 1 970 . 1 1 95 95 GLU HB2 H 1 2.129 0.020 . 1 . . . . . . . . 6899 1 971 . 1 1 95 95 GLU HB3 H 1 2.022 0.020 . 1 . . . . . . . . 6899 1 972 . 1 1 95 95 GLU HG2 H 1 2.348 0.020 . 2 . . . . . . . . 6899 1 973 . 1 1 95 95 GLU CA C 13 56.926 0.200 . 1 . . . . . . . . 6899 1 974 . 1 1 95 95 GLU CB C 13 30.165 0.200 . 1 . . . . . . . . 6899 1 975 . 1 1 95 95 GLU CG C 13 36.520 0.200 . 1 . . . . . . . . 6899 1 976 . 1 1 95 95 GLU N N 15 119.310 0.200 . 1 . . . . . . . . 6899 1 977 . 1 1 96 96 MET H H 1 8.385 0.020 . 1 . . . . . . . . 6899 1 978 . 1 1 96 96 MET HA H 1 4.516 0.020 . 1 . . . . . . . . 6899 1 979 . 1 1 96 96 MET HB2 H 1 2.160 0.020 . 1 . . . . . . . . 6899 1 980 . 1 1 96 96 MET HB3 H 1 2.085 0.020 . 1 . . . . . . . . 6899 1 981 . 1 1 96 96 MET HG2 H 1 2.665 0.020 . 1 . . . . . . . . 6899 1 982 . 1 1 96 96 MET HG3 H 1 2.577 0.020 . 1 . . . . . . . . 6899 1 983 . 1 1 96 96 MET HE1 H 1 2.145 0.020 . 1 . . . . . . . . 6899 1 984 . 1 1 96 96 MET HE2 H 1 2.145 0.020 . 1 . . . . . . . . 6899 1 985 . 1 1 96 96 MET HE3 H 1 2.145 0.020 . 1 . . . . . . . . 6899 1 986 . 1 1 96 96 MET CA C 13 55.923 0.200 . 1 . . . . . . . . 6899 1 987 . 1 1 96 96 MET CB C 13 32.943 0.200 . 1 . . . . . . . . 6899 1 988 . 1 1 96 96 MET CG C 13 32.127 0.200 . 1 . . . . . . . . 6899 1 989 . 1 1 96 96 MET CE C 13 17.366 0.200 . 1 . . . . . . . . 6899 1 990 . 1 1 96 96 MET N N 15 120.727 0.200 . 1 . . . . . . . . 6899 1 991 . 1 1 97 97 ASN H H 1 8.533 0.020 . 1 . . . . . . . . 6899 1 992 . 1 1 97 97 ASN HA H 1 4.843 0.020 . 1 . . . . . . . . 6899 1 993 . 1 1 97 97 ASN HB2 H 1 2.863 0.020 . 2 . . . . . . . . 6899 1 994 . 1 1 97 97 ASN CA C 13 53.437 0.200 . 1 . . . . . . . . 6899 1 995 . 1 1 97 97 ASN CB C 13 39.061 0.200 . 1 . . . . . . . . 6899 1 996 . 1 1 97 97 ASN N N 15 119.666 0.200 . 1 . . . . . . . . 6899 1 997 . 1 1 98 98 SER H H 1 8.445 0.020 . 1 . . . . . . . . 6899 1 998 . 1 1 98 98 SER HA H 1 4.499 0.020 . 1 . . . . . . . . 6899 1 999 . 1 1 98 98 SER HB2 H 1 3.985 0.020 . 2 . . . . . . . . 6899 1 1000 . 1 1 98 98 SER CA C 13 58.844 0.200 . 1 . . . . . . . . 6899 1 1001 . 1 1 98 98 SER CB C 13 63.852 0.200 . 1 . . . . . . . . 6899 1 1002 . 1 1 98 98 SER N N 15 116.422 0.200 . 1 . . . . . . . . 6899 1 1003 . 1 1 99 99 GLY H H 1 8.575 0.020 . 1 . . . . . . . . 6899 1 1004 . 1 1 99 99 GLY HA2 H 1 4.040 0.020 . 1 . . . . . . . . 6899 1 1005 . 1 1 99 99 GLY HA3 H 1 4.040 0.020 . 1 . . . . . . . . 6899 1 1006 . 1 1 99 99 GLY CA C 13 45.502 0.200 . 1 . . . . . . . . 6899 1 1007 . 1 1 99 99 GLY N N 15 110.709 0.200 . 1 . . . . . . . . 6899 1 1008 . 1 1 100 100 GLN H H 1 8.267 0.020 . 1 . . . . . . . . 6899 1 1009 . 1 1 100 100 GLN HA H 1 4.395 0.020 . 1 . . . . . . . . 6899 1 1010 . 1 1 100 100 GLN HB2 H 1 2.166 0.020 . 1 . . . . . . . . 6899 1 1011 . 1 1 100 100 GLN HB3 H 1 2.040 0.020 . 1 . . . . . . . . 6899 1 1012 . 1 1 100 100 GLN HG2 H 1 2.415 0.020 . 2 . . . . . . . . 6899 1 1013 . 1 1 100 100 GLN CA C 13 55.752 0.200 . 1 . . . . . . . . 6899 1 1014 . 1 1 100 100 GLN CB C 13 29.786 0.200 . 1 . . . . . . . . 6899 1 1015 . 1 1 100 100 GLN CG C 13 33.993 0.200 . 1 . . . . . . . . 6899 1 1016 . 1 1 100 100 GLN N N 15 119.913 0.200 . 1 . . . . . . . . 6899 1 1017 . 1 1 101 101 LYS H H 1 8.532 0.020 . 1 . . . . . . . . 6899 1 1018 . 1 1 101 101 LYS HA H 1 4.396 0.020 . 1 . . . . . . . . 6899 1 1019 . 1 1 101 101 LYS HB2 H 1 1.909 0.020 . 1 . . . . . . . . 6899 1 1020 . 1 1 101 101 LYS HB3 H 1 1.826 0.020 . 1 . . . . . . . . 6899 1 1021 . 1 1 101 101 LYS HG2 H 1 1.523 0.020 . 1 . . . . . . . . 6899 1 1022 . 1 1 101 101 LYS HG3 H 1 1.458 0.020 . 1 . . . . . . . . 6899 1 1023 . 1 1 101 101 LYS HD2 H 1 1.743 0.020 . 2 . . . . . . . . 6899 1 1024 . 1 1 101 101 LYS HE2 H 1 3.057 0.020 . 2 . . . . . . . . 6899 1 1025 . 1 1 101 101 LYS CA C 13 56.402 0.200 . 1 . . . . . . . . 6899 1 1026 . 1 1 101 101 LYS CB C 13 33.118 0.200 . 1 . . . . . . . . 6899 1 1027 . 1 1 101 101 LYS CG C 13 24.743 0.200 . 1 . . . . . . . . 6899 1 1028 . 1 1 101 101 LYS CD C 13 29.157 0.200 . 1 . . . . . . . . 6899 1 1029 . 1 1 101 101 LYS CE C 13 42.241 0.200 . 1 . . . . . . . . 6899 1 1030 . 1 1 101 101 LYS N N 15 122.860 0.200 . 1 . . . . . . . . 6899 1 1031 . 1 1 102 102 ASN H H 1 8.649 0.020 . 1 . . . . . . . . 6899 1 1032 . 1 1 102 102 ASN HA H 1 4.770 0.020 . 1 . . . . . . . . 6899 1 1033 . 1 1 102 102 ASN HB2 H 1 2.867 0.020 . 2 . . . . . . . . 6899 1 1034 . 1 1 102 102 ASN CA C 13 53.491 0.200 . 1 . . . . . . . . 6899 1 1035 . 1 1 102 102 ASN CB C 13 39.088 0.200 . 1 . . . . . . . . 6899 1 1036 . 1 1 102 102 ASN N N 15 120.532 0.200 . 1 . . . . . . . . 6899 1 1037 . 1 1 103 103 GLU H H 1 8.561 0.020 . 1 . . . . . . . . 6899 1 1038 . 1 1 103 103 GLU HA H 1 4.369 0.020 . 1 . . . . . . . . 6899 1 1039 . 1 1 103 103 GLU HB2 H 1 2.143 0.020 . 1 . . . . . . . . 6899 1 1040 . 1 1 103 103 GLU HB3 H 1 1.999 0.020 . 1 . . . . . . . . 6899 1 1041 . 1 1 103 103 GLU HG2 H 1 2.328 0.020 . 2 . . . . . . . . 6899 1 1042 . 1 1 103 103 GLU CA C 13 56.632 0.200 . 1 . . . . . . . . 6899 1 1043 . 1 1 103 103 GLU CB C 13 30.629 0.200 . 1 . . . . . . . . 6899 1 1044 . 1 1 103 103 GLU CG C 13 36.506 0.200 . 1 . . . . . . . . 6899 1 1045 . 1 1 103 103 GLU N N 15 121.459 0.200 . 1 . . . . . . . . 6899 1 1046 . 1 1 104 104 GLU H H 1 8.498 0.020 . 1 . . . . . . . . 6899 1 1047 . 1 1 104 104 GLU HA H 1 4.365 0.020 . 1 . . . . . . . . 6899 1 1048 . 1 1 104 104 GLU HB2 H 1 2.143 0.020 . 1 . . . . . . . . 6899 1 1049 . 1 1 104 104 GLU HB3 H 1 1.995 0.020 . 1 . . . . . . . . 6899 1 1050 . 1 1 104 104 GLU HG2 H 1 2.330 0.020 . 2 . . . . . . . . 6899 1 1051 . 1 1 104 104 GLU CA C 13 56.534 0.200 . 1 . . . . . . . . 6899 1 1052 . 1 1 104 104 GLU CB C 13 30.245 0.200 . 1 . . . . . . . . 6899 1 1053 . 1 1 104 104 GLU CG C 13 36.367 0.200 . 1 . . . . . . . . 6899 1 1054 . 1 1 104 104 GLU N N 15 122.685 0.200 . 1 . . . . . . . . 6899 1 1055 . 1 1 105 105 LYS H H 1 8.054 0.020 . 1 . . . . . . . . 6899 1 1056 . 1 1 105 105 LYS HA H 1 4.236 0.020 . 1 . . . . . . . . 6899 1 1057 . 1 1 105 105 LYS HB2 H 1 1.899 0.020 . 1 . . . . . . . . 6899 1 1058 . 1 1 105 105 LYS HB3 H 1 1.781 0.020 . 1 . . . . . . . . 6899 1 1059 . 1 1 105 105 LYS HG2 H 1 1.456 0.020 . 2 . . . . . . . . 6899 1 1060 . 1 1 105 105 LYS HD2 H 1 1.744 0.020 . 2 . . . . . . . . 6899 1 1061 . 1 1 105 105 LYS HE2 H 1 3.060 0.020 . 2 . . . . . . . . 6899 1 1062 . 1 1 105 105 LYS CA C 13 57.707 0.200 . 1 . . . . . . . . 6899 1 1063 . 1 1 105 105 LYS CB C 13 33.884 0.200 . 1 . . . . . . . . 6899 1 1064 . 1 1 105 105 LYS CG C 13 24.760 0.200 . 1 . . . . . . . . 6899 1 1065 . 1 1 105 105 LYS CD C 13 29.226 0.200 . 1 . . . . . . . . 6899 1 1066 . 1 1 105 105 LYS CE C 13 42.413 0.200 . 1 . . . . . . . . 6899 1 1067 . 1 1 105 105 LYS N N 15 127.727 0.200 . 1 . . . . . . . . 6899 1 stop_ save_ ############################## # Heteronuclear NOE values # ############################## save_heteronucl_NOE_list_1 _Heteronucl_NOE_list.Sf_category heteronucl_NOEs _Heteronucl_NOE_list.Sf_framecode heteronucl_NOE_list_1 _Heteronucl_NOE_list.Entry_ID 6899 _Heteronucl_NOE_list.ID 1 _Heteronucl_NOE_list.Sample_condition_list_ID 1 _Heteronucl_NOE_list.Sample_condition_list_label $conditions_1 _Heteronucl_NOE_list.Spectrometer_frequency_1H 600 _Heteronucl_NOE_list.Heteronuclear_NOE_val_type {1H}-15N _Heteronucl_NOE_list.NOE_ref_val 1 _Heteronucl_NOE_list.NOE_ref_description . _Heteronucl_NOE_list.Details . _Heteronucl_NOE_list.Text_data_format . _Heteronucl_NOE_list.Text_data . loop_ _Heteronucl_NOE_experiment.Experiment_ID _Heteronucl_NOE_experiment.Experiment_name _Heteronucl_NOE_experiment.Sample_ID _Heteronucl_NOE_experiment.Sample_label _Heteronucl_NOE_experiment.Sample_state _Heteronucl_NOE_experiment.Entry_ID _Heteronucl_NOE_experiment.Heteronucl_NOE_list_ID . . 1 $sample_1 . 6899 1 stop_ loop_ _Heteronucl_NOE.ID _Heteronucl_NOE.Assembly_atom_ID_1 _Heteronucl_NOE.Entity_assembly_ID_1 _Heteronucl_NOE.Entity_ID_1 _Heteronucl_NOE.Comp_index_ID_1 _Heteronucl_NOE.Seq_ID_1 _Heteronucl_NOE.Comp_ID_1 _Heteronucl_NOE.Atom_ID_1 _Heteronucl_NOE.Atom_type_1 _Heteronucl_NOE.Atom_isotope_number_1 _Heteronucl_NOE.Assembly_atom_ID_2 _Heteronucl_NOE.Entity_assembly_ID_2 _Heteronucl_NOE.Entity_ID_2 _Heteronucl_NOE.Comp_index_ID_2 _Heteronucl_NOE.Seq_ID_2 _Heteronucl_NOE.Comp_ID_2 _Heteronucl_NOE.Atom_ID_2 _Heteronucl_NOE.Atom_type_2 _Heteronucl_NOE.Atom_isotope_number_2 _Heteronucl_NOE.Val _Heteronucl_NOE.Val_err _Heteronucl_NOE.Resonance_ID_1 _Heteronucl_NOE.Resonance_ID_2 _Heteronucl_NOE.Auth_entity_assembly_ID_1 _Heteronucl_NOE.Auth_seq_ID_1 _Heteronucl_NOE.Auth_comp_ID_1 _Heteronucl_NOE.Auth_atom_ID_1 _Heteronucl_NOE.Auth_entity_assembly_ID_2 _Heteronucl_NOE.Auth_seq_ID_2 _Heteronucl_NOE.Auth_comp_ID_2 _Heteronucl_NOE.Auth_atom_ID_2 _Heteronucl_NOE.Entry_ID _Heteronucl_NOE.Heteronucl_NOE_list_ID 1 . 1 1 1 1 GLU N . . . 1 1 1 1 GLU H . . -0.487 0.014 . . . . . . . . . . 6899 1 2 . 1 1 3 3 ASP N . . . 1 1 3 3 ASP H . . -0.046 0.008 . . . . . . . . . . 6899 1 3 . 1 1 5 5 VAL N . . . 1 1 5 5 VAL H . . 0.313 0.016 . . . . . . . . . . 6899 1 4 . 1 1 6 6 GLU N . . . 1 1 6 6 GLU H . . 0.457 0.017 . . . . . . . . . . 6899 1 5 . 1 1 9 9 ASN N . . . 1 1 9 9 ASN H . . 0.632 0.034 . . . . . . . . . . 6899 1 6 . 1 1 10 10 ALA N . . . 1 1 10 10 ALA H . . 0.680 0.041 . . . . . . . . . . 6899 1 7 . 1 1 13 13 TYR N . . . 1 1 13 13 TYR H . . 0.774 0.040 . . . . . . . . . . 6899 1 8 . 1 1 15 15 ASN N . . . 1 1 15 15 ASN H . . 0.797 0.035 . . . . . . . . . . 6899 1 9 . 1 1 17 17 ILE N . . . 1 1 17 17 ILE H . . 0.798 0.052 . . . . . . . . . . 6899 1 10 . 1 1 19 19 THR N . . . 1 1 19 19 THR H . . 0.822 0.035 . . . . . . . . . . 6899 1 11 . 1 1 20 20 ARG N . . . 1 1 20 20 ARG H . . 0.728 0.040 . . . . . . . . . . 6899 1 12 . 1 1 21 21 PHE N . . . 1 1 21 21 PHE H . . 0.897 0.077 . . . . . . . . . . 6899 1 13 . 1 1 22 22 LEU N . . . 1 1 22 22 LEU H . . 0.808 0.070 . . . . . . . . . . 6899 1 14 . 1 1 23 23 ASP N . . . 1 1 23 23 ASP H . . 0.844 0.046 . . . . . . . . . . 6899 1 15 . 1 1 24 24 HIS N . . . 1 1 24 24 HIS H . . 0.713 0.026 . . . . . . . . . . 6899 1 16 . 1 1 26 26 GLU N . . . 1 1 26 26 GLU H . . 0.756 0.074 . . . . . . . . . . 6899 1 17 . 1 1 27 27 ILE N . . . 1 1 27 27 ILE H . . 0.736 0.050 . . . . . . . . . . 6899 1 18 . 1 1 28 28 TYR N . . . 1 1 28 28 TYR H . . 0.948 0.149 . . . . . . . . . . 6899 1 19 . 1 1 29 29 ARG N . . . 1 1 29 29 ARG H . . 0.790 0.035 . . . . . . . . . . 6899 1 20 . 1 1 31 31 PHE N . . . 1 1 31 31 PHE H . . 0.804 0.039 . . . . . . . . . . 6899 1 21 . 1 1 34 34 ILE N . . . 1 1 34 34 ILE H . . 0.889 0.047 . . . . . . . . . . 6899 1 22 . 1 1 35 35 LEU N . . . 1 1 35 35 LEU H . . 0.739 0.046 . . . . . . . . . . 6899 1 23 . 1 1 36 36 HIS N . . . 1 1 36 36 HIS H . . 0.767 0.068 . . . . . . . . . . 6899 1 24 . 1 1 38 38 TYR N . . . 1 1 38 38 TYR H . . 0.694 0.044 . . . . . . . . . . 6899 1 25 . 1 1 40 40 LYS N . . . 1 1 40 40 LYS H . . 0.690 0.035 . . . . . . . . . . 6899 1 26 . 1 1 41 41 GLU N . . . 1 1 41 41 GLU H . . 0.707 0.036 . . . . . . . . . . 6899 1 27 . 1 1 42 42 GLN N . . . 1 1 42 42 GLN H . . 0.663 0.042 . . . . . . . . . . 6899 1 28 . 1 1 43 43 LEU N . . . 1 1 43 43 LEU H . . 0.613 0.037 . . . . . . . . . . 6899 1 29 . 1 1 44 44 HIS N . . . 1 1 44 44 HIS H . . 0.425 0.044 . . . . . . . . . . 6899 1 30 . 1 1 46 46 LYS N . . . 1 1 46 46 LYS H . . 0.401 0.031 . . . . . . . . . . 6899 1 31 . 1 1 47 47 GLY N . . . 1 1 47 47 GLY H . . 0.390 0.060 . . . . . . . . . . 6899 1 32 . 1 1 51 51 ARG N . . . 1 1 51 51 ARG H . . 0.474 0.045 . . . . . . . . . . 6899 1 33 . 1 1 52 52 GLY N . . . 1 1 52 52 GLY H . . 0.444 0.044 . . . . . . . . . . 6899 1 34 . 1 1 53 53 MET N . . . 1 1 53 53 MET H . . 0.472 0.051 . . . . . . . . . . 6899 1 35 . 1 1 54 54 SER N . . . 1 1 54 54 SER H . . 0.728 0.057 . . . . . . . . . . 6899 1 36 . 1 1 55 55 GLU N . . . 1 1 55 55 GLU H . . 0.684 0.033 . . . . . . . . . . 6899 1 37 . 1 1 56 56 GLU N . . . 1 1 56 56 GLU H . . 0.734 0.036 . . . . . . . . . . 6899 1 38 . 1 1 58 58 VAL N . . . 1 1 58 58 VAL H . . 0.774 0.033 . . . . . . . . . . 6899 1 39 . 1 1 59 59 PHE N . . . 1 1 59 59 PHE H . . 0.790 0.038 . . . . . . . . . . 6899 1 40 . 1 1 61 61 GLU N . . . 1 1 61 61 GLU H . . 0.836 0.035 . . . . . . . . . . 6899 1 41 . 1 1 63 63 ALA N . . . 1 1 63 63 ALA H . . 0.693 0.033 . . . . . . . . . . 6899 1 42 . 1 1 64 64 ASN N . . . 1 1 64 64 ASN H . . 0.751 0.053 . . . . . . . . . . 6899 1 43 . 1 1 65 65 LEU N . . . 1 1 65 65 LEU H . . 0.810 0.047 . . . . . . . . . . 6899 1 44 . 1 1 66 66 PHE N . . . 1 1 66 66 PHE H . . 0.836 0.057 . . . . . . . . . . 6899 1 45 . 1 1 67 67 ARG N . . . 1 1 67 67 ARG H . . 0.751 0.043 . . . . . . . . . . 6899 1 46 . 1 1 68 68 GLY N . . . 1 1 68 68 GLY H . . 0.741 0.104 . . . . . . . . . . 6899 1 47 . 1 1 69 69 GLN N . . . 1 1 69 69 GLN H . . 0.683 0.028 . . . . . . . . . . 6899 1 48 . 1 1 71 71 ASP N . . . 1 1 71 71 ASP H . . 0.764 0.026 . . . . . . . . . . 6899 1 49 . 1 1 72 72 LEU N . . . 1 1 72 72 LEU H . . 0.636 0.028 . . . . . . . . . . 6899 1 50 . 1 1 76 76 PHE N . . . 1 1 76 76 PHE H . . 0.761 0.076 . . . . . . . . . . 6899 1 51 . 1 1 78 78 GLN N . . . 1 1 78 78 GLN H . . 0.689 0.058 . . . . . . . . . . 6899 1 52 . 1 1 79 79 PHE N . . . 1 1 79 79 PHE H . . 0.768 0.144 . . . . . . . . . . 6899 1 53 . 1 1 84 84 LYS N . . . 1 1 84 84 LYS H . . 0.729 0.046 . . . . . . . . . . 6899 1 54 . 1 1 85 85 ARG N . . . 1 1 85 85 ARG H . . 0.805 0.141 . . . . . . . . . . 6899 1 55 . 1 1 86 86 SER N . . . 1 1 86 86 SER H . . 0.704 0.082 . . . . . . . . . . 6899 1 56 . 1 1 87 87 LEU N . . . 1 1 87 87 LEU H . . 0.581 0.051 . . . . . . . . . . 6899 1 57 . 1 1 89 89 THR N . . . 1 1 89 89 THR H . . 0.441 0.030 . . . . . . . . . . 6899 1 58 . 1 1 90 90 GLY N . . . 1 1 90 90 GLY H . . 0.464 0.061 . . . . . . . . . . 6899 1 59 . 1 1 91 91 ASN N . . . 1 1 91 91 ASN H . . 0.294 0.028 . . . . . . . . . . 6899 1 60 . 1 1 92 92 GLY N . . . 1 1 92 92 GLY H . . 0.166 0.019 . . . . . . . . . . 6899 1 61 . 1 1 94 94 ALA N . . . 1 1 94 94 ALA H . . 0.154 0.012 . . . . . . . . . . 6899 1 62 . 1 1 95 95 GLU N . . . 1 1 95 95 GLU H . . 0.123 0.010 . . . . . . . . . . 6899 1 63 . 1 1 97 97 ASN N . . . 1 1 97 97 ASN H . . 0.049 0.015 . . . . . . . . . . 6899 1 64 . 1 1 98 98 SER N . . . 1 1 98 98 SER H . . -0.013 0.017 . . . . . . . . . . 6899 1 65 . 1 1 99 99 GLY N . . . 1 1 99 99 GLY H . . -0.068 0.011 . . . . . . . . . . 6899 1 66 . 1 1 100 100 GLN N . . . 1 1 100 100 GLN H . . -0.047 0.008 . . . . . . . . . . 6899 1 67 . 1 1 101 101 LYS N . . . 1 1 101 101 LYS H . . -0.284 0.008 . . . . . . . . . . 6899 1 68 . 1 1 103 103 GLU N . . . 1 1 103 103 GLU H . . -0.468 0.007 . . . . . . . . . . 6899 1 69 . 1 1 104 104 GLU N . . . 1 1 104 104 GLU H . . -0.707 0.007 . . . . . . . . . . 6899 1 70 . 1 1 105 105 LYS N . . . 1 1 105 105 LYS H . . -1.042 0.007 . . . . . . . . . . 6899 1 stop_ save_ ######################################## # Heteronuclear T1 relaxation values # ######################################## save_T1_list_1 _Heteronucl_T1_list.Sf_category heteronucl_T1_relaxation _Heteronucl_T1_list.Sf_framecode T1_list_1 _Heteronucl_T1_list.Entry_ID 6899 _Heteronucl_T1_list.ID 1 _Heteronucl_T1_list.Sample_condition_list_ID 1 _Heteronucl_T1_list.Sample_condition_list_label $conditions_1 _Heteronucl_T1_list.Spectrometer_frequency_1H 600 _Heteronucl_T1_list.T1_coherence_type 15N _Heteronucl_T1_list.T1_val_units s _Heteronucl_T1_list.Details . _Heteronucl_T1_list.Text_data_format . _Heteronucl_T1_list.Text_data . loop_ _Heteronucl_T1_experiment.Experiment_ID _Heteronucl_T1_experiment.Experiment_name _Heteronucl_T1_experiment.Sample_ID _Heteronucl_T1_experiment.Sample_label _Heteronucl_T1_experiment.Sample_state _Heteronucl_T1_experiment.Entry_ID _Heteronucl_T1_experiment.Heteronucl_T1_list_ID . . 1 $sample_1 . 6899 1 stop_ loop_ _T1.ID _T1.Assembly_atom_ID _T1.Entity_assembly_ID _T1.Entity_ID _T1.Comp_index_ID _T1.Seq_ID _T1.Comp_ID _T1.Atom_ID _T1.Atom_type _T1.Atom_isotope_number _T1.Val _T1.Val_err _T1.Resonance_ID _T1.Auth_entity_assembly_ID _T1.Auth_seq_ID _T1.Auth_comp_ID _T1.Auth_atom_ID _T1.Entry_ID _T1.Heteronucl_T1_list_ID 1 . 1 1 1 1 GLU N . . 0.7228 0.0067 . . . . . 6899 1 2 . 1 1 3 3 ASP N . . 0.6198 0.0033 . . . . . 6899 1 3 . 1 1 5 5 VAL N . . 0.6499 0.0062 . . . . . 6899 1 4 . 1 1 6 6 GLU N . . 0.6455 0.0061 . . . . . 6899 1 5 . 1 1 9 9 ASN N . . 0.6327 0.0149 . . . . . 6899 1 6 . 1 1 10 10 ALA N . . 0.6730 0.0163 . . . . . 6899 1 7 . 1 1 13 13 TYR N . . 0.6976 0.0173 . . . . . 6899 1 8 . 1 1 15 15 ASN N . . 0.6813 0.0132 . . . . . 6899 1 9 . 1 1 17 17 ILE N . . 0.7108 0.0226 . . . . . 6899 1 10 . 1 1 19 19 THR N . . 0.7098 0.0143 . . . . . 6899 1 11 . 1 1 20 20 ARG N . . 0.6990 0.0192 . . . . . 6899 1 12 . 1 1 21 21 PHE N . . 0.7556 0.0368 . . . . . 6899 1 13 . 1 1 22 22 LEU N . . 0.7331 0.0298 . . . . . 6899 1 14 . 1 1 23 23 ASP N . . 0.6915 0.0209 . . . . . 6899 1 15 . 1 1 24 24 HIS N . . 0.7672 0.0128 . . . . . 6899 1 16 . 1 1 26 26 GLU N . . 0.7097 0.0393 . . . . . 6899 1 17 . 1 1 27 27 ILE N . . 0.7146 0.0251 . . . . . 6899 1 18 . 1 1 28 28 TYR N . . 0.7165 0.0964 . . . . . 6899 1 19 . 1 1 29 29 ARG N . . 0.7278 0.0151 . . . . . 6899 1 20 . 1 1 31 31 PHE N . . 0.7251 0.0169 . . . . . 6899 1 21 . 1 1 34 34 ILE N . . 0.7280 0.0174 . . . . . 6899 1 22 . 1 1 35 35 LEU N . . 0.7216 0.0239 . . . . . 6899 1 23 . 1 1 36 36 HIS N . . 0.7238 0.0296 . . . . . 6899 1 24 . 1 1 38 38 TYR N . . 0.7214 0.0209 . . . . . 6899 1 25 . 1 1 40 40 LYS N . . 0.7199 0.0143 . . . . . 6899 1 26 . 1 1 41 41 GLU N . . 0.6993 0.0142 . . . . . 6899 1 27 . 1 1 42 42 GLN N . . 0.6693 0.0175 . . . . . 6899 1 28 . 1 1 43 43 LEU N . . 0.6451 0.0149 . . . . . 6899 1 29 . 1 1 44 44 HIS N . . 0.6842 0.0288 . . . . . 6899 1 30 . 1 1 46 46 LYS N . . 0.5929 0.0131 . . . . . 6899 1 31 . 1 1 47 47 GLY N . . 0.6237 0.0369 . . . . . 6899 1 32 . 1 1 51 51 ARG N . . 0.6078 0.0208 . . . . . 6899 1 33 . 1 1 52 52 GLY N . . 0.6246 0.0217 . . . . . 6899 1 34 . 1 1 53 53 MET N . . 0.6948 0.0259 . . . . . 6899 1 35 . 1 1 54 54 SER N . . 0.7027 0.0243 . . . . . 6899 1 36 . 1 1 55 55 GLU N . . 0.6878 0.0131 . . . . . 6899 1 37 . 1 1 56 56 GLU N . . 0.7368 0.0146 . . . . . 6899 1 38 . 1 1 58 58 VAL N . . 0.7216 0.0126 . . . . . 6899 1 39 . 1 1 59 59 PHE N . . 0.7007 0.0144 . . . . . 6899 1 40 . 1 1 61 61 GLU N . . 0.7196 0.0136 . . . . . 6899 1 41 . 1 1 63 63 ALA N . . 0.6959 0.0125 . . . . . 6899 1 42 . 1 1 64 64 ASN N . . 0.7523 0.0239 . . . . . 6899 1 43 . 1 1 65 65 LEU N . . 0.7438 0.0197 . . . . . 6899 1 44 . 1 1 66 66 PHE N . . 0.7692 0.0276 . . . . . 6899 1 45 . 1 1 67 67 ARG N . . 0.7510 0.0194 . . . . . 6899 1 46 . 1 1 68 68 GLY N . . 0.6831 0.0579 . . . . . 6899 1 47 . 1 1 69 69 GLN N . . 0.7353 0.0138 . . . . . 6899 1 48 . 1 1 71 71 ASP N . . 0.6804 0.0108 . . . . . 6899 1 49 . 1 1 72 72 LEU N . . 0.7009 0.0142 . . . . . 6899 1 50 . 1 1 76 76 PHE N . . 0.7013 0.0361 . . . . . 6899 1 51 . 1 1 78 78 GLN N . . 0.7531 0.0306 . . . . . 6899 1 52 . 1 1 79 79 PHE N . . 0.7734 0.0796 . . . . . 6899 1 53 . 1 1 84 84 LYS N . . 0.6648 0.0161 . . . . . 6899 1 54 . 1 1 85 85 ARG N . . 0.7216 0.0685 . . . . . 6899 1 55 . 1 1 86 86 SER N . . 0.6703 0.0427 . . . . . 6899 1 56 . 1 1 87 87 LEU N . . 0.6508 0.0228 . . . . . 6899 1 57 . 1 1 89 89 THR N . . 0.5981 0.0127 . . . . . 6899 1 58 . 1 1 90 90 GLY N . . 0.6291 0.0370 . . . . . 6899 1 59 . 1 1 91 91 ASN N . . 0.5863 0.0131 . . . . . 6899 1 60 . 1 1 92 92 GLY N . . 0.6076 0.0093 . . . . . 6899 1 61 . 1 1 94 94 ALA N . . 0.5899 0.0047 . . . . . 6899 1 62 . 1 1 95 95 GLU N . . 0.6040 0.0034 . . . . . 6899 1 63 . 1 1 97 97 ASN N . . 0.5972 0.0067 . . . . . 6899 1 64 . 1 1 98 98 SER N . . 0.6085 0.0086 . . . . . 6899 1 65 . 1 1 99 99 GLY N . . 0.5931 0.0050 . . . . . 6899 1 66 . 1 1 100 100 GLN N . . 0.5974 0.0031 . . . . . 6899 1 67 . 1 1 101 101 LYS N . . 0.6297 0.0031 . . . . . 6899 1 68 . 1 1 103 103 GLU N . . 0.6807 0.0027 . . . . . 6899 1 69 . 1 1 104 104 GLU N . . 0.7277 0.0022 . . . . . 6899 1 70 . 1 1 105 105 LYS N . . 0.9847 0.0022 . . . . . 6899 1 stop_ save_