data_5174 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5174 _Entry.Title ; Molecular structure of the GARP family of plant Myb-related DNA binding motifs of the Arabidopsis response regulators ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2001-10-11 _Entry.Accession_date 2001-10-11 _Entry.Last_release_date 2002-09-12 _Entry.Original_release_date 2002-09-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Kazuo Hosoda . . . 5174 2 A. Imamura . . . 5174 3 Etsuko Katoh . . . 5174 4 T. Hatta . . . 5174 5 M. Tachiki . . . 5174 6 H. Yamada . . . 5174 7 Takeshi Mizuno . . . 5174 8 Toshimasa Yamazaki . . . 5174 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5174 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 466 5174 '13C chemical shifts' 302 5174 '15N chemical shifts' 66 5174 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 . . 2002-09-12 2001-10-11 original author . 5174 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5174 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 22204429 _Citation.DOI . _Citation.PubMed_ID 12215502 _Citation.Full_citation . _Citation.Title ; Molecular structure of the GARP family of plant Myb-related DNA binding motifs of the Arabidopsis response regulators ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Plant Cell' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 9 _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 2015 _Citation.Page_last 2029 _Citation.Year 2002 _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 Kazuo Hosoda . . . 5174 1 2 A. Imamura . . . 5174 1 3 Etsuko Katoh . . . 5174 1 4 T. Hatta . . . 5174 1 5 M. Tachiki . . . 5174 1 6 H. Yamada . . . 5174 1 7 Takeshi Mizuno . . . 5174 1 8 Toshimasa Yamazaki . . . 5174 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_ARR10 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_ARR10 _Assembly.Entry_ID 5174 _Assembly.ID 1 _Assembly.Name ARR10 _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 5174 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 'ARR10 monomer' 1 $ARR10 . . . native . . . . . 5174 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID ARR10 system 5174 1 ARR10 abbreviation 5174 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ARR10 _Entity.Sf_category entity _Entity.Sf_framecode ARR10 _Entity.Entry_ID 5174 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ARR10 _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 ; TAQKKPRVLWTHELHNKFLA AVDHLGVERAVPKKILDLMN VDKLTRENVASHLQKFRVAL KKVS ; _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 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1IRZ . "Solution Structure Of Arr10-B Belonging To The Garp Family Of Plant Myb-Related Dna Binding Motifs Of The Arabidopsis Response " . . . . . 100.00 64 100.00 100.00 8.74e-37 . . . . 5174 1 2 no DBJ BAF00105 . "predicted protein [Arabidopsis thaliana]" . . . . . 100.00 552 100.00 100.00 1.02e-33 . . . . 5174 1 3 no EMBL CAA06432 . "receiver-like protein 4 [Arabidopsis thaliana]" . . . . . 100.00 552 100.00 100.00 1.02e-33 . . . . 5174 1 4 no EMBL CAA16597 . "predicted protein [Arabidopsis thaliana]" . . . . . 100.00 552 100.00 100.00 1.02e-33 . . . . 5174 1 5 no EMBL CAB79910 . "predicted protein [Arabidopsis thaliana]" . . . . . 100.00 552 100.00 100.00 1.02e-33 . . . . 5174 1 6 no GB AAO24590 . "At4g31920 [Arabidopsis thaliana]" . . . . . 100.00 552 100.00 100.00 1.02e-33 . . . . 5174 1 7 no GB AEE85979 . "two-component response regulator ARR10 [Arabidopsis thaliana]" . . . . . 100.00 552 100.00 100.00 1.02e-33 . . . . 5174 1 8 no REF NP_194920 . "two-component response regulator ARR10 [Arabidopsis thaliana]" . . . . . 100.00 552 100.00 100.00 1.02e-33 . . . . 5174 1 9 no REF XP_010432800 . "PREDICTED: LOW QUALITY PROTEIN: two-component response regulator ARR10-like [Camelina sativa]" . . . . . 100.00 576 98.44 100.00 5.50e-33 . . . . 5174 1 10 no REF XP_010447471 . "PREDICTED: LOW QUALITY PROTEIN: two-component response regulator ARR10 [Camelina sativa]" . . . . . 100.00 548 98.44 100.00 1.69e-33 . . . . 5174 1 11 no SP O49397 . "RecName: Full=Two-component response regulator ARR10; AltName: Full=Receiver-like protein 4 [Arabidopsis thaliana]" . . . . . 100.00 552 100.00 100.00 1.02e-33 . . . . 5174 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID ARR10 common 5174 1 B-motif abbreviation 5174 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 . THR . 5174 1 2 . ALA . 5174 1 3 . GLN . 5174 1 4 . LYS . 5174 1 5 . LYS . 5174 1 6 . PRO . 5174 1 7 . ARG . 5174 1 8 . VAL . 5174 1 9 . LEU . 5174 1 10 . TRP . 5174 1 11 . THR . 5174 1 12 . HIS . 5174 1 13 . GLU . 5174 1 14 . LEU . 5174 1 15 . HIS . 5174 1 16 . ASN . 5174 1 17 . LYS . 5174 1 18 . PHE . 5174 1 19 . LEU . 5174 1 20 . ALA . 5174 1 21 . ALA . 5174 1 22 . VAL . 5174 1 23 . ASP . 5174 1 24 . HIS . 5174 1 25 . LEU . 5174 1 26 . GLY . 5174 1 27 . VAL . 5174 1 28 . GLU . 5174 1 29 . ARG . 5174 1 30 . ALA . 5174 1 31 . VAL . 5174 1 32 . PRO . 5174 1 33 . LYS . 5174 1 34 . LYS . 5174 1 35 . ILE . 5174 1 36 . LEU . 5174 1 37 . ASP . 5174 1 38 . LEU . 5174 1 39 . MET . 5174 1 40 . ASN . 5174 1 41 . VAL . 5174 1 42 . ASP . 5174 1 43 . LYS . 5174 1 44 . LEU . 5174 1 45 . THR . 5174 1 46 . ARG . 5174 1 47 . GLU . 5174 1 48 . ASN . 5174 1 49 . VAL . 5174 1 50 . ALA . 5174 1 51 . SER . 5174 1 52 . HIS . 5174 1 53 . LEU . 5174 1 54 . GLN . 5174 1 55 . LYS . 5174 1 56 . PHE . 5174 1 57 . ARG . 5174 1 58 . VAL . 5174 1 59 . ALA . 5174 1 60 . LEU . 5174 1 61 . LYS . 5174 1 62 . LYS . 5174 1 63 . VAL . 5174 1 64 . SER . 5174 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 . THR 1 1 5174 1 . ALA 2 2 5174 1 . GLN 3 3 5174 1 . LYS 4 4 5174 1 . LYS 5 5 5174 1 . PRO 6 6 5174 1 . ARG 7 7 5174 1 . VAL 8 8 5174 1 . LEU 9 9 5174 1 . TRP 10 10 5174 1 . THR 11 11 5174 1 . HIS 12 12 5174 1 . GLU 13 13 5174 1 . LEU 14 14 5174 1 . HIS 15 15 5174 1 . ASN 16 16 5174 1 . LYS 17 17 5174 1 . PHE 18 18 5174 1 . LEU 19 19 5174 1 . ALA 20 20 5174 1 . ALA 21 21 5174 1 . VAL 22 22 5174 1 . ASP 23 23 5174 1 . HIS 24 24 5174 1 . LEU 25 25 5174 1 . GLY 26 26 5174 1 . VAL 27 27 5174 1 . GLU 28 28 5174 1 . ARG 29 29 5174 1 . ALA 30 30 5174 1 . VAL 31 31 5174 1 . PRO 32 32 5174 1 . LYS 33 33 5174 1 . LYS 34 34 5174 1 . ILE 35 35 5174 1 . LEU 36 36 5174 1 . ASP 37 37 5174 1 . LEU 38 38 5174 1 . MET 39 39 5174 1 . ASN 40 40 5174 1 . VAL 41 41 5174 1 . ASP 42 42 5174 1 . LYS 43 43 5174 1 . LEU 44 44 5174 1 . THR 45 45 5174 1 . ARG 46 46 5174 1 . GLU 47 47 5174 1 . ASN 48 48 5174 1 . VAL 49 49 5174 1 . ALA 50 50 5174 1 . SER 51 51 5174 1 . HIS 52 52 5174 1 . LEU 53 53 5174 1 . GLN 54 54 5174 1 . LYS 55 55 5174 1 . PHE 56 56 5174 1 . ARG 57 57 5174 1 . VAL 58 58 5174 1 . ALA 59 59 5174 1 . LEU 60 60 5174 1 . LYS 61 61 5174 1 . LYS 62 62 5174 1 . VAL 63 63 5174 1 . SER 64 64 5174 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 5174 _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 $ARR10 . 3701 . . 'Arabidopsis' Arabidopsis . . Eukaryota Viridiplantae Arabidopsis . . . . . . . . . . . . . . . . . . . 'Response regulator' . . 5174 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 5174 _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 $ARR10 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . . . . . . . . 5174 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5174 _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 ARR10 '[U-15N; U-13C]' . . 1 $ARR10 . . 1.0 . . mM . . . . 5174 1 stop_ save_ ####################### # Sample conditions # ####################### save_B-motif-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode B-motif-cond_1 _Sample_condition_list.Entry_ID 5174 _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 6.9 0.1 n/a 5174 1 temperature 288 1 K 5174 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5174 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5174 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DMX . 750 . . . 5174 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 5174 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5174 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0.00 internal direct . internal spherical parallel . . . . . . 5174 1 C 13 TSP 'methyl protons' . . . . ppm 0.00 external indirect . internal spherical parallel . . . . . . 5174 1 N 15 'liquid ammonia' nitrogen . . . . ppm 0.00 external indirect . internal spherical parallel . . . . . . 5174 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_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 5174 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $B-motif-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5174 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 THR HA H 1 3.85 . . 1 . . . . . . . . 5174 1 2 . 1 1 1 1 THR HB H 1 4.22 . . 1 . . . . . . . . 5174 1 3 . 1 1 1 1 THR HG21 H 1 1.4 . . 1 . . . . . . . . 5174 1 4 . 1 1 1 1 THR HG22 H 1 1.4 . . 1 . . . . . . . . 5174 1 5 . 1 1 1 1 THR HG23 H 1 1.4 . . 1 . . . . . . . . 5174 1 6 . 1 1 1 1 THR C C 13 172.68 . . 1 . . . . . . . . 5174 1 7 . 1 1 1 1 THR CA C 13 61.7 . . 1 . . . . . . . . 5174 1 8 . 1 1 1 1 THR CB C 13 69.93 . . 1 . . . . . . . . 5174 1 9 . 1 1 1 1 THR CG2 C 13 21.63 . . 1 . . . . . . . . 5174 1 10 . 1 1 2 2 ALA HA H 1 4.48 . . 1 . . . . . . . . 5174 1 11 . 1 1 2 2 ALA HB1 H 1 1.5 . . 1 . . . . . . . . 5174 1 12 . 1 1 2 2 ALA HB2 H 1 1.5 . . 1 . . . . . . . . 5174 1 13 . 1 1 2 2 ALA HB3 H 1 1.5 . . 1 . . . . . . . . 5174 1 14 . 1 1 2 2 ALA C C 13 177.64 . . 1 . . . . . . . . 5174 1 15 . 1 1 2 2 ALA CA C 13 52.79 . . 1 . . . . . . . . 5174 1 16 . 1 1 2 2 ALA CB C 13 19.49 . . 1 . . . . . . . . 5174 1 17 . 1 1 3 3 GLN H H 1 8.55 . . 1 . . . . . . . . 5174 1 18 . 1 1 3 3 GLN HA H 1 4.4 . . 1 . . . . . . . . 5174 1 19 . 1 1 3 3 GLN HB2 H 1 2.17 . . 2 . . . . . . . . 5174 1 20 . 1 1 3 3 GLN HB3 H 1 2.07 . . 2 . . . . . . . . 5174 1 21 . 1 1 3 3 GLN HG2 H 1 2.48 . . 1 . . . . . . . . 5174 1 22 . 1 1 3 3 GLN HG3 H 1 2.48 . . 1 . . . . . . . . 5174 1 23 . 1 1 3 3 GLN HE21 H 1 7.64 . . 2 . . . . . . . . 5174 1 24 . 1 1 3 3 GLN HE22 H 1 6.98 . . 2 . . . . . . . . 5174 1 25 . 1 1 3 3 GLN C C 13 176.12 . . 1 . . . . . . . . 5174 1 26 . 1 1 3 3 GLN CA C 13 55.96 . . 1 . . . . . . . . 5174 1 27 . 1 1 3 3 GLN CB C 13 29.83 . . 1 . . . . . . . . 5174 1 28 . 1 1 3 3 GLN CG C 13 34.1 . . 1 . . . . . . . . 5174 1 29 . 1 1 3 3 GLN CD C 13 180.74 . . 1 . . . . . . . . 5174 1 30 . 1 1 3 3 GLN N N 15 120.3 . . 1 . . . . . . . . 5174 1 31 . 1 1 3 3 GLN NE2 N 15 112.64 . . 1 . . . . . . . . 5174 1 32 . 1 1 4 4 LYS H H 1 8.51 . . 1 . . . . . . . . 5174 1 33 . 1 1 4 4 LYS HA H 1 4.41 . . 1 . . . . . . . . 5174 1 34 . 1 1 4 4 LYS C C 13 176.51 . . 1 . . . . . . . . 5174 1 35 . 1 1 4 4 LYS CA C 13 56.42 . . 1 . . . . . . . . 5174 1 36 . 1 1 4 4 LYS CB C 13 33.35 . . 1 . . . . . . . . 5174 1 37 . 1 1 4 4 LYS CG C 13 25.05 . . 1 . . . . . . . . 5174 1 38 . 1 1 4 4 LYS CD C 13 29.33 . . 1 . . . . . . . . 5174 1 39 . 1 1 4 4 LYS CE C 13 42.43 . . 1 . . . . . . . . 5174 1 40 . 1 1 4 4 LYS N N 15 123.38 . . 1 . . . . . . . . 5174 1 41 . 1 1 5 5 LYS H H 1 8.49 . . 1 . . . . . . . . 5174 1 42 . 1 1 5 5 LYS HA H 1 4.69 . . 1 . . . . . . . . 5174 1 43 . 1 1 5 5 LYS HB2 H 1 1.92 . . 2 . . . . . . . . 5174 1 44 . 1 1 5 5 LYS HB3 H 1 1.81 . . 2 . . . . . . . . 5174 1 45 . 1 1 5 5 LYS HG2 H 1 1.6 . . 2 . . . . . . . . 5174 1 46 . 1 1 5 5 LYS HG3 H 1 1.55 . . 2 . . . . . . . . 5174 1 47 . 1 1 5 5 LYS HD2 H 1 1.8 . . 1 . . . . . . . . 5174 1 48 . 1 1 5 5 LYS HD3 H 1 1.8 . . 1 . . . . . . . . 5174 1 49 . 1 1 5 5 LYS HE2 H 1 3.11 . . 1 . . . . . . . . 5174 1 50 . 1 1 5 5 LYS HE3 H 1 3.11 . . 1 . . . . . . . . 5174 1 51 . 1 1 5 5 LYS C C 13 174.69 . . 1 . . . . . . . . 5174 1 52 . 1 1 5 5 LYS CA C 13 54.41 . . 1 . . . . . . . . 5174 1 53 . 1 1 5 5 LYS CB C 13 32.66 . . 1 . . . . . . . . 5174 1 54 . 1 1 5 5 LYS CG C 13 24.9 . . 1 . . . . . . . . 5174 1 55 . 1 1 5 5 LYS CD C 13 29.36 . . 1 . . . . . . . . 5174 1 56 . 1 1 5 5 LYS CE C 13 42.17 . . 1 . . . . . . . . 5174 1 57 . 1 1 5 5 LYS N N 15 124.09 . . 1 . . . . . . . . 5174 1 58 . 1 1 6 6 PRO HA H 1 4.52 . . 1 . . . . . . . . 5174 1 59 . 1 1 6 6 PRO HB2 H 1 1.97 . . 1 . . . . . . . . 5174 1 60 . 1 1 6 6 PRO HB3 H 1 2.39 . . 1 . . . . . . . . 5174 1 61 . 1 1 6 6 PRO HG2 H 1 2.11 . . 1 . . . . . . . . 5174 1 62 . 1 1 6 6 PRO HG3 H 1 2.11 . . 1 . . . . . . . . 5174 1 63 . 1 1 6 6 PRO HD2 H 1 3.92 . . 2 . . . . . . . . 5174 1 64 . 1 1 6 6 PRO HD3 H 1 3.74 . . 2 . . . . . . . . 5174 1 65 . 1 1 6 6 PRO C C 13 176.85 . . 1 . . . . . . . . 5174 1 66 . 1 1 6 6 PRO CA C 13 63.2 . . 1 . . . . . . . . 5174 1 67 . 1 1 6 6 PRO CB C 13 32.45 . . 1 . . . . . . . . 5174 1 68 . 1 1 6 6 PRO CG C 13 27.65 . . 1 . . . . . . . . 5174 1 69 . 1 1 6 6 PRO CD C 13 50.9 . . 1 . . . . . . . . 5174 1 70 . 1 1 7 7 ARG H H 1 8.51 . . 1 . . . . . . . . 5174 1 71 . 1 1 7 7 ARG HA H 1 4.43 . . 1 . . . . . . . . 5174 1 72 . 1 1 7 7 ARG HB2 H 1 1.9 . . 2 . . . . . . . . 5174 1 73 . 1 1 7 7 ARG HB3 H 1 1.87 . . 2 . . . . . . . . 5174 1 74 . 1 1 7 7 ARG HG2 H 1 1.78 . . 2 . . . . . . . . 5174 1 75 . 1 1 7 7 ARG HG3 H 1 1.7 . . 2 . . . . . . . . 5174 1 76 . 1 1 7 7 ARG HD2 H 1 3.3 . . 1 . . . . . . . . 5174 1 77 . 1 1 7 7 ARG HD3 H 1 3.3 . . 1 . . . . . . . . 5174 1 78 . 1 1 7 7 ARG C C 13 176.42 . . 1 . . . . . . . . 5174 1 79 . 1 1 7 7 ARG CA C 13 56.22 . . 1 . . . . . . . . 5174 1 80 . 1 1 7 7 ARG CB C 13 31.29 . . 1 . . . . . . . . 5174 1 81 . 1 1 7 7 ARG CG C 13 27.38 . . 1 . . . . . . . . 5174 1 82 . 1 1 7 7 ARG CD C 13 43.68 . . 1 . . . . . . . . 5174 1 83 . 1 1 7 7 ARG N N 15 121.74 . . 1 . . . . . . . . 5174 1 84 . 1 1 8 8 VAL H H 1 8.21 . . 1 . . . . . . . . 5174 1 85 . 1 1 8 8 VAL HA H 1 4.07 . . 1 . . . . . . . . 5174 1 86 . 1 1 8 8 VAL HB H 1 1.99 . . 1 . . . . . . . . 5174 1 87 . 1 1 8 8 VAL HG11 H 1 0.74 . . 1 . . . . . . . . 5174 1 88 . 1 1 8 8 VAL HG12 H 1 0.74 . . 1 . . . . . . . . 5174 1 89 . 1 1 8 8 VAL HG13 H 1 0.74 . . 1 . . . . . . . . 5174 1 90 . 1 1 8 8 VAL HG21 H 1 0.91 . . 1 . . . . . . . . 5174 1 91 . 1 1 8 8 VAL HG22 H 1 0.91 . . 1 . . . . . . . . 5174 1 92 . 1 1 8 8 VAL HG23 H 1 0.91 . . 1 . . . . . . . . 5174 1 93 . 1 1 8 8 VAL C C 13 175.1 . . 1 . . . . . . . . 5174 1 94 . 1 1 8 8 VAL CA C 13 62.3 . . 1 . . . . . . . . 5174 1 95 . 1 1 8 8 VAL CB C 13 33.15 . . 1 . . . . . . . . 5174 1 96 . 1 1 8 8 VAL CG1 C 13 21.01 . . 1 . . . . . . . . 5174 1 97 . 1 1 8 8 VAL CG2 C 13 21.13 . . 1 . . . . . . . . 5174 1 98 . 1 1 8 8 VAL N N 15 122.43 . . 1 . . . . . . . . 5174 1 99 . 1 1 9 9 LEU H H 1 8.25 . . 1 . . . . . . . . 5174 1 100 . 1 1 9 9 LEU HA H 1 4.36 . . 1 . . . . . . . . 5174 1 101 . 1 1 9 9 LEU HB2 H 1 1.6 . . 1 . . . . . . . . 5174 1 102 . 1 1 9 9 LEU HB3 H 1 1.53 . . 1 . . . . . . . . 5174 1 103 . 1 1 9 9 LEU HG H 1 1.07 . . 1 . . . . . . . . 5174 1 104 . 1 1 9 9 LEU HD11 H 1 0.81 . . 1 . . . . . . . . 5174 1 105 . 1 1 9 9 LEU HD12 H 1 0.81 . . 1 . . . . . . . . 5174 1 106 . 1 1 9 9 LEU HD13 H 1 0.81 . . 1 . . . . . . . . 5174 1 107 . 1 1 9 9 LEU HD21 H 1 0.79 . . 1 . . . . . . . . 5174 1 108 . 1 1 9 9 LEU HD22 H 1 0.79 . . 1 . . . . . . . . 5174 1 109 . 1 1 9 9 LEU HD23 H 1 0.79 . . 1 . . . . . . . . 5174 1 110 . 1 1 9 9 LEU C C 13 176.52 . . 1 . . . . . . . . 5174 1 111 . 1 1 9 9 LEU CA C 13 55.56 . . 1 . . . . . . . . 5174 1 112 . 1 1 9 9 LEU CB C 13 43.07 . . 1 . . . . . . . . 5174 1 113 . 1 1 9 9 LEU CG C 13 26.99 . . 1 . . . . . . . . 5174 1 114 . 1 1 9 9 LEU CD1 C 13 23.87 . . 1 . . . . . . . . 5174 1 115 . 1 1 9 9 LEU CD2 C 13 24.75 . . 1 . . . . . . . . 5174 1 116 . 1 1 9 9 LEU N N 15 127.13 . . 1 . . . . . . . . 5174 1 117 . 1 1 10 10 TRP H H 1 8.49 . . 1 . . . . . . . . 5174 1 118 . 1 1 10 10 TRP HA H 1 4.36 . . 1 . . . . . . . . 5174 1 119 . 1 1 10 10 TRP HB2 H 1 3 . . 1 . . . . . . . . 5174 1 120 . 1 1 10 10 TRP HB3 H 1 3.15 . . 1 . . . . . . . . 5174 1 121 . 1 1 10 10 TRP HE1 H 1 10.37 . . 1 . . . . . . . . 5174 1 122 . 1 1 10 10 TRP HZ2 H 1 6.81 . . 1 . . . . . . . . 5174 1 123 . 1 1 10 10 TRP HH2 H 1 6.7 . . 1 . . . . . . . . 5174 1 124 . 1 1 10 10 TRP C C 13 176.52 . . 1 . . . . . . . . 5174 1 125 . 1 1 10 10 TRP CA C 13 57.12 . . 1 . . . . . . . . 5174 1 126 . 1 1 10 10 TRP CB C 13 26.93 . . 1 . . . . . . . . 5174 1 127 . 1 1 10 10 TRP CZ2 C 13 112.85 . . 1 . . . . . . . . 5174 1 128 . 1 1 10 10 TRP CH2 C 13 122.43 . . 1 . . . . . . . . 5174 1 129 . 1 1 10 10 TRP N N 15 121.64 . . 1 . . . . . . . . 5174 1 130 . 1 1 10 10 TRP NE1 N 15 128.68 . . 1 . . . . . . . . 5174 1 131 . 1 1 11 11 THR H H 1 7.23 . . 1 . . . . . . . . 5174 1 132 . 1 1 11 11 THR HA H 1 4.47 . . 1 . . . . . . . . 5174 1 133 . 1 1 11 11 THR HB H 1 4.9 . . 1 . . . . . . . . 5174 1 134 . 1 1 11 11 THR HG21 H 1 1.38 . . 1 . . . . . . . . 5174 1 135 . 1 1 11 11 THR HG22 H 1 1.38 . . 1 . . . . . . . . 5174 1 136 . 1 1 11 11 THR HG23 H 1 1.38 . . 1 . . . . . . . . 5174 1 137 . 1 1 11 11 THR C C 13 174.74 . . 1 . . . . . . . . 5174 1 138 . 1 1 11 11 THR CA C 13 60.53 . . 1 . . . . . . . . 5174 1 139 . 1 1 11 11 THR CB C 13 71.47 . . 1 . . . . . . . . 5174 1 140 . 1 1 11 11 THR CG2 C 13 22.58 . . 1 . . . . . . . . 5174 1 141 . 1 1 11 11 THR N N 15 115.11 . . 1 . . . . . . . . 5174 1 142 . 1 1 12 12 HIS H H 1 9.11 . . 1 . . . . . . . . 5174 1 143 . 1 1 12 12 HIS HA H 1 4.57 . . 1 . . . . . . . . 5174 1 144 . 1 1 12 12 HIS HB2 H 1 3.37 . . 2 . . . . . . . . 5174 1 145 . 1 1 12 12 HIS HB3 H 1 3.31 . . 2 . . . . . . . . 5174 1 146 . 1 1 12 12 HIS C C 13 178.02 . . 1 . . . . . . . . 5174 1 147 . 1 1 12 12 HIS CA C 13 60.33 . . 1 . . . . . . . . 5174 1 148 . 1 1 12 12 HIS CB C 13 30.06 . . 1 . . . . . . . . 5174 1 149 . 1 1 12 12 HIS N N 15 120.67 . . 1 . . . . . . . . 5174 1 150 . 1 1 13 13 GLU H H 1 8.81 . . 1 . . . . . . . . 5174 1 151 . 1 1 13 13 GLU HA H 1 4.19 . . 1 . . . . . . . . 5174 1 152 . 1 1 13 13 GLU HB2 H 1 2.23 . . 1 . . . . . . . . 5174 1 153 . 1 1 13 13 GLU HB3 H 1 2.03 . . 1 . . . . . . . . 5174 1 154 . 1 1 13 13 GLU HG2 H 1 2.42 . . 2 . . . . . . . . 5174 1 155 . 1 1 13 13 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 5174 1 156 . 1 1 13 13 GLU C C 13 179.53 . . 1 . . . . . . . . 5174 1 157 . 1 1 13 13 GLU CA C 13 60.1 . . 1 . . . . . . . . 5174 1 158 . 1 1 13 13 GLU CB C 13 29.76 . . 1 . . . . . . . . 5174 1 159 . 1 1 13 13 GLU CG C 13 36.88 . . 1 . . . . . . . . 5174 1 160 . 1 1 13 13 GLU CD C 13 184.1 . . 1 . . . . . . . . 5174 1 161 . 1 1 13 13 GLU N N 15 117.39 . . 1 . . . . . . . . 5174 1 162 . 1 1 14 14 LEU H H 1 7.86 . . 1 . . . . . . . . 5174 1 163 . 1 1 14 14 LEU HA H 1 4.12 . . 1 . . . . . . . . 5174 1 164 . 1 1 14 14 LEU HB2 H 1 1.59 . . 1 . . . . . . . . 5174 1 165 . 1 1 14 14 LEU HB3 H 1 1.73 . . 1 . . . . . . . . 5174 1 166 . 1 1 14 14 LEU HG H 1 1.63 . . 1 . . . . . . . . 5174 1 167 . 1 1 14 14 LEU HD11 H 1 0.47 . . 1 . . . . . . . . 5174 1 168 . 1 1 14 14 LEU HD12 H 1 0.47 . . 1 . . . . . . . . 5174 1 169 . 1 1 14 14 LEU HD13 H 1 0.47 . . 1 . . . . . . . . 5174 1 170 . 1 1 14 14 LEU HD21 H 1 0.84 . . 1 . . . . . . . . 5174 1 171 . 1 1 14 14 LEU HD22 H 1 0.84 . . 1 . . . . . . . . 5174 1 172 . 1 1 14 14 LEU HD23 H 1 0.84 . . 1 . . . . . . . . 5174 1 173 . 1 1 14 14 LEU C C 13 180.02 . . 1 . . . . . . . . 5174 1 174 . 1 1 14 14 LEU CA C 13 58.4 . . 1 . . . . . . . . 5174 1 175 . 1 1 14 14 LEU CB C 13 42.39 . . 1 . . . . . . . . 5174 1 176 . 1 1 14 14 LEU CG C 13 27.55 . . 1 . . . . . . . . 5174 1 177 . 1 1 14 14 LEU CD1 C 13 24.8 . . 1 . . . . . . . . 5174 1 178 . 1 1 14 14 LEU CD2 C 13 25.19 . . 1 . . . . . . . . 5174 1 179 . 1 1 14 14 LEU N N 15 121.09 . . 1 . . . . . . . . 5174 1 180 . 1 1 15 15 HIS H H 1 9.3 . . 1 . . . . . . . . 5174 1 181 . 1 1 15 15 HIS HA H 1 4.72 . . 1 . . . . . . . . 5174 1 182 . 1 1 15 15 HIS HB2 H 1 3.24 . . 1 . . . . . . . . 5174 1 183 . 1 1 15 15 HIS HB3 H 1 3.44 . . 1 . . . . . . . . 5174 1 184 . 1 1 15 15 HIS HD2 H 1 7.22 . . 1 . . . . . . . . 5174 1 185 . 1 1 15 15 HIS C C 13 177.65 . . 1 . . . . . . . . 5174 1 186 . 1 1 15 15 HIS CA C 13 60.85 . . 1 . . . . . . . . 5174 1 187 . 1 1 15 15 HIS CB C 13 31.34 . . 1 . . . . . . . . 5174 1 188 . 1 1 15 15 HIS CD2 C 13 118.72 . . 1 . . . . . . . . 5174 1 189 . 1 1 15 15 HIS N N 15 119.32 . . 1 . . . . . . . . 5174 1 190 . 1 1 16 16 ASN H H 1 8.6 . . 1 . . . . . . . . 5174 1 191 . 1 1 16 16 ASN HA H 1 4.56 . . 1 . . . . . . . . 5174 1 192 . 1 1 16 16 ASN HB2 H 1 3.05 . . 1 . . . . . . . . 5174 1 193 . 1 1 16 16 ASN HB3 H 1 2.84 . . 1 . . . . . . . . 5174 1 194 . 1 1 16 16 ASN HD21 H 1 7.61 . . 2 . . . . . . . . 5174 1 195 . 1 1 16 16 ASN HD22 H 1 6.67 . . 2 . . . . . . . . 5174 1 196 . 1 1 16 16 ASN C C 13 179.25 . . 1 . . . . . . . . 5174 1 197 . 1 1 16 16 ASN CA C 13 56.62 . . 1 . . . . . . . . 5174 1 198 . 1 1 16 16 ASN CB C 13 37.75 . . 1 . . . . . . . . 5174 1 199 . 1 1 16 16 ASN CG C 13 176.04 . . 1 . . . . . . . . 5174 1 200 . 1 1 16 16 ASN N N 15 117.28 . . 1 . . . . . . . . 5174 1 201 . 1 1 16 16 ASN ND2 N 15 110.44 . . 1 . . . . . . . . 5174 1 202 . 1 1 17 17 LYS H H 1 7.98 . . 1 . . . . . . . . 5174 1 203 . 1 1 17 17 LYS HA H 1 4.26 . . 1 . . . . . . . . 5174 1 204 . 1 1 17 17 LYS HB2 H 1 2.21 . . 1 . . . . . . . . 5174 1 205 . 1 1 17 17 LYS HB3 H 1 1.92 . . 1 . . . . . . . . 5174 1 206 . 1 1 17 17 LYS HG2 H 1 1.64 . . 1 . . . . . . . . 5174 1 207 . 1 1 17 17 LYS HG3 H 1 1.89 . . 1 . . . . . . . . 5174 1 208 . 1 1 17 17 LYS HD2 H 1 1.8 . . 2 . . . . . . . . 5174 1 209 . 1 1 17 17 LYS HD3 H 1 1.69 . . 2 . . . . . . . . 5174 1 210 . 1 1 17 17 LYS HE2 H 1 3.08 . . 1 . . . . . . . . 5174 1 211 . 1 1 17 17 LYS HE3 H 1 3.08 . . 1 . . . . . . . . 5174 1 212 . 1 1 17 17 LYS C C 13 179.39 . . 1 . . . . . . . . 5174 1 213 . 1 1 17 17 LYS CA C 13 60.23 . . 1 . . . . . . . . 5174 1 214 . 1 1 17 17 LYS CB C 13 33.82 . . 1 . . . . . . . . 5174 1 215 . 1 1 17 17 LYS CG C 13 26.13 . . 1 . . . . . . . . 5174 1 216 . 1 1 17 17 LYS CD C 13 30.09 . . 1 . . . . . . . . 5174 1 217 . 1 1 17 17 LYS CE C 13 42.38 . . 1 . . . . . . . . 5174 1 218 . 1 1 17 17 LYS N N 15 121.72 . . 1 . . . . . . . . 5174 1 219 . 1 1 18 18 PHE H H 1 8.41 . . 1 . . . . . . . . 5174 1 220 . 1 1 18 18 PHE HA H 1 4.45 . . 1 . . . . . . . . 5174 1 221 . 1 1 18 18 PHE HB2 H 1 3.49 . . 1 . . . . . . . . 5174 1 222 . 1 1 18 18 PHE HB3 H 1 3.83 . . 1 . . . . . . . . 5174 1 223 . 1 1 18 18 PHE HD1 H 1 7.13 . . 3 . . . . . . . . 5174 1 224 . 1 1 18 18 PHE HE1 H 1 6.75 . . 3 . . . . . . . . 5174 1 225 . 1 1 18 18 PHE C C 13 175.96 . . 1 . . . . . . . . 5174 1 226 . 1 1 18 18 PHE CA C 13 61.55 . . 1 . . . . . . . . 5174 1 227 . 1 1 18 18 PHE CB C 13 38.98 . . 1 . . . . . . . . 5174 1 228 . 1 1 18 18 PHE CD1 C 13 132.84 . . 3 . . . . . . . . 5174 1 229 . 1 1 18 18 PHE CE1 C 13 130.47 . . 3 . . . . . . . . 5174 1 230 . 1 1 18 18 PHE N N 15 124.11 . . 1 . . . . . . . . 5174 1 231 . 1 1 19 19 LEU H H 1 8.92 . . 1 . . . . . . . . 5174 1 232 . 1 1 19 19 LEU HA H 1 3.49 . . 1 . . . . . . . . 5174 1 233 . 1 1 19 19 LEU HB2 H 1 1.39 . . 1 . . . . . . . . 5174 1 234 . 1 1 19 19 LEU HB3 H 1 1.89 . . 1 . . . . . . . . 5174 1 235 . 1 1 19 19 LEU HG H 1 1.37 . . 1 . . . . . . . . 5174 1 236 . 1 1 19 19 LEU HD11 H 1 0.98 . . 1 . . . . . . . . 5174 1 237 . 1 1 19 19 LEU HD12 H 1 0.98 . . 1 . . . . . . . . 5174 1 238 . 1 1 19 19 LEU HD13 H 1 0.98 . . 1 . . . . . . . . 5174 1 239 . 1 1 19 19 LEU HD21 H 1 0.76 . . 1 . . . . . . . . 5174 1 240 . 1 1 19 19 LEU HD22 H 1 0.76 . . 1 . . . . . . . . 5174 1 241 . 1 1 19 19 LEU HD23 H 1 0.76 . . 1 . . . . . . . . 5174 1 242 . 1 1 19 19 LEU C C 13 179.62 . . 1 . . . . . . . . 5174 1 243 . 1 1 19 19 LEU CA C 13 57.57 . . 1 . . . . . . . . 5174 1 244 . 1 1 19 19 LEU CB C 13 41.81 . . 1 . . . . . . . . 5174 1 245 . 1 1 19 19 LEU CG C 13 26.17 . . 1 . . . . . . . . 5174 1 246 . 1 1 19 19 LEU CD1 C 13 25.93 . . 1 . . . . . . . . 5174 1 247 . 1 1 19 19 LEU CD2 C 13 23.19 . . 1 . . . . . . . . 5174 1 248 . 1 1 19 19 LEU N N 15 120.85 . . 1 . . . . . . . . 5174 1 249 . 1 1 20 20 ALA H H 1 7.83 . . 1 . . . . . . . . 5174 1 250 . 1 1 20 20 ALA HA H 1 4.2 . . 1 . . . . . . . . 5174 1 251 . 1 1 20 20 ALA HB1 H 1 1.56 . . 1 . . . . . . . . 5174 1 252 . 1 1 20 20 ALA HB2 H 1 1.56 . . 1 . . . . . . . . 5174 1 253 . 1 1 20 20 ALA HB3 H 1 1.56 . . 1 . . . . . . . . 5174 1 254 . 1 1 20 20 ALA C C 13 180.64 . . 1 . . . . . . . . 5174 1 255 . 1 1 20 20 ALA CA C 13 54.9 . . 1 . . . . . . . . 5174 1 256 . 1 1 20 20 ALA CB C 13 18.09 . . 1 . . . . . . . . 5174 1 257 . 1 1 20 20 ALA N N 15 120.19 . . 1 . . . . . . . . 5174 1 258 . 1 1 21 21 ALA H H 1 7.65 . . 1 . . . . . . . . 5174 1 259 . 1 1 21 21 ALA HA H 1 4.21 . . 1 . . . . . . . . 5174 1 260 . 1 1 21 21 ALA HB1 H 1 1.55 . . 1 . . . . . . . . 5174 1 261 . 1 1 21 21 ALA HB2 H 1 1.55 . . 1 . . . . . . . . 5174 1 262 . 1 1 21 21 ALA HB3 H 1 1.55 . . 1 . . . . . . . . 5174 1 263 . 1 1 21 21 ALA C C 13 179.19 . . 1 . . . . . . . . 5174 1 264 . 1 1 21 21 ALA CA C 13 55.11 . . 1 . . . . . . . . 5174 1 265 . 1 1 21 21 ALA CB C 13 20.03 . . 1 . . . . . . . . 5174 1 266 . 1 1 21 21 ALA N N 15 121.65 . . 1 . . . . . . . . 5174 1 267 . 1 1 22 22 VAL H H 1 8.19 . . 1 . . . . . . . . 5174 1 268 . 1 1 22 22 VAL HA H 1 3.17 . . 1 . . . . . . . . 5174 1 269 . 1 1 22 22 VAL HB H 1 1.66 . . 1 . . . . . . . . 5174 1 270 . 1 1 22 22 VAL HG11 H 1 0.66 . . 1 . . . . . . . . 5174 1 271 . 1 1 22 22 VAL HG12 H 1 0.66 . . 1 . . . . . . . . 5174 1 272 . 1 1 22 22 VAL HG13 H 1 0.66 . . 1 . . . . . . . . 5174 1 273 . 1 1 22 22 VAL HG21 H 1 0.14 . . 1 . . . . . . . . 5174 1 274 . 1 1 22 22 VAL HG22 H 1 0.14 . . 1 . . . . . . . . 5174 1 275 . 1 1 22 22 VAL HG23 H 1 0.14 . . 1 . . . . . . . . 5174 1 276 . 1 1 22 22 VAL C C 13 177.88 . . 1 . . . . . . . . 5174 1 277 . 1 1 22 22 VAL CA C 13 67.3 . . 1 . . . . . . . . 5174 1 278 . 1 1 22 22 VAL CB C 13 31.1 . . 1 . . . . . . . . 5174 1 279 . 1 1 22 22 VAL CG1 C 13 22.35 . . 1 . . . . . . . . 5174 1 280 . 1 1 22 22 VAL CG2 C 13 22.95 . . 1 . . . . . . . . 5174 1 281 . 1 1 22 22 VAL N N 15 117.01 . . 1 . . . . . . . . 5174 1 282 . 1 1 23 23 ASP H H 1 8.27 . . 1 . . . . . . . . 5174 1 283 . 1 1 23 23 ASP HA H 1 4.43 . . 1 . . . . . . . . 5174 1 284 . 1 1 23 23 ASP HB2 H 1 2.82 . . 2 . . . . . . . . 5174 1 285 . 1 1 23 23 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 5174 1 286 . 1 1 23 23 ASP C C 13 178.47 . . 1 . . . . . . . . 5174 1 287 . 1 1 23 23 ASP CA C 13 57.24 . . 1 . . . . . . . . 5174 1 288 . 1 1 23 23 ASP CB C 13 41.46 . . 1 . . . . . . . . 5174 1 289 . 1 1 23 23 ASP CG C 13 179.6 . . 1 . . . . . . . . 5174 1 290 . 1 1 23 23 ASP N N 15 118.84 . . 1 . . . . . . . . 5174 1 291 . 1 1 24 24 HIS H H 1 7.73 . . 1 . . . . . . . . 5174 1 292 . 1 1 24 24 HIS HA H 1 4.33 . . 1 . . . . . . . . 5174 1 293 . 1 1 24 24 HIS HB2 H 1 3.31 . . 1 . . . . . . . . 5174 1 294 . 1 1 24 24 HIS HB3 H 1 3.31 . . 1 . . . . . . . . 5174 1 295 . 1 1 24 24 HIS HD2 H 1 6.89 . . 1 . . . . . . . . 5174 1 296 . 1 1 24 24 HIS C C 13 177.47 . . 1 . . . . . . . . 5174 1 297 . 1 1 24 24 HIS CA C 13 59.37 . . 1 . . . . . . . . 5174 1 298 . 1 1 24 24 HIS CB C 13 30.48 . . 1 . . . . . . . . 5174 1 299 . 1 1 24 24 HIS CD2 C 13 120.54 . . 1 . . . . . . . . 5174 1 300 . 1 1 24 24 HIS N N 15 116.82 . . 1 . . . . . . . . 5174 1 301 . 1 1 25 25 LEU H H 1 7.86 . . 1 . . . . . . . . 5174 1 302 . 1 1 25 25 LEU HA H 1 4.13 . . 1 . . . . . . . . 5174 1 303 . 1 1 25 25 LEU HB2 H 1 1.72 . . 1 . . . . . . . . 5174 1 304 . 1 1 25 25 LEU HB3 H 1 1.41 . . 1 . . . . . . . . 5174 1 305 . 1 1 25 25 LEU HG H 1 1.92 . . 1 . . . . . . . . 5174 1 306 . 1 1 25 25 LEU HD11 H 1 0.84 . . 1 . . . . . . . . 5174 1 307 . 1 1 25 25 LEU HD12 H 1 0.84 . . 1 . . . . . . . . 5174 1 308 . 1 1 25 25 LEU HD13 H 1 0.84 . . 1 . . . . . . . . 5174 1 309 . 1 1 25 25 LEU HD21 H 1 1.03 . . 1 . . . . . . . . 5174 1 310 . 1 1 25 25 LEU HD22 H 1 1.03 . . 1 . . . . . . . . 5174 1 311 . 1 1 25 25 LEU HD23 H 1 1.03 . . 1 . . . . . . . . 5174 1 312 . 1 1 25 25 LEU C C 13 178.34 . . 1 . . . . . . . . 5174 1 313 . 1 1 25 25 LEU CA C 13 56.63 . . 1 . . . . . . . . 5174 1 314 . 1 1 25 25 LEU CB C 13 43.66 . . 1 . . . . . . . . 5174 1 315 . 1 1 25 25 LEU CG C 13 27.16 . . 1 . . . . . . . . 5174 1 316 . 1 1 25 25 LEU CD1 C 13 27.25 . . 1 . . . . . . . . 5174 1 317 . 1 1 25 25 LEU CD2 C 13 22.74 . . 1 . . . . . . . . 5174 1 318 . 1 1 25 25 LEU N N 15 116.67 . . 1 . . . . . . . . 5174 1 319 . 1 1 26 26 GLY H H 1 8.35 . . 1 . . . . . . . . 5174 1 320 . 1 1 26 26 GLY HA2 H 1 3.81 . . 1 . . . . . . . . 5174 1 321 . 1 1 26 26 GLY HA3 H 1 4.49 . . 1 . . . . . . . . 5174 1 322 . 1 1 26 26 GLY C C 13 175.15 . . 1 . . . . . . . . 5174 1 323 . 1 1 26 26 GLY CA C 13 44.68 . . 1 . . . . . . . . 5174 1 324 . 1 1 26 26 GLY N N 15 108.75 . . 1 . . . . . . . . 5174 1 325 . 1 1 27 27 VAL H H 1 8.75 . . 1 . . . . . . . . 5174 1 326 . 1 1 27 27 VAL HA H 1 3.69 . . 1 . . . . . . . . 5174 1 327 . 1 1 27 27 VAL HB H 1 2.19 . . 1 . . . . . . . . 5174 1 328 . 1 1 27 27 VAL HG11 H 1 1.08 . . 1 . . . . . . . . 5174 1 329 . 1 1 27 27 VAL HG12 H 1 1.08 . . 1 . . . . . . . . 5174 1 330 . 1 1 27 27 VAL HG13 H 1 1.08 . . 1 . . . . . . . . 5174 1 331 . 1 1 27 27 VAL HG21 H 1 1.16 . . 1 . . . . . . . . 5174 1 332 . 1 1 27 27 VAL HG22 H 1 1.16 . . 1 . . . . . . . . 5174 1 333 . 1 1 27 27 VAL HG23 H 1 1.16 . . 1 . . . . . . . . 5174 1 334 . 1 1 27 27 VAL C C 13 177.14 . . 1 . . . . . . . . 5174 1 335 . 1 1 27 27 VAL CA C 13 66.46 . . 1 . . . . . . . . 5174 1 336 . 1 1 27 27 VAL CB C 13 31.83 . . 1 . . . . . . . . 5174 1 337 . 1 1 27 27 VAL CG1 C 13 20.65 . . 1 . . . . . . . . 5174 1 338 . 1 1 27 27 VAL CG2 C 13 22.44 . . 1 . . . . . . . . 5174 1 339 . 1 1 27 27 VAL N N 15 124.4 . . 1 . . . . . . . . 5174 1 340 . 1 1 28 28 GLU H H 1 8.97 . . 1 . . . . . . . . 5174 1 341 . 1 1 28 28 GLU HA H 1 4.31 . . 1 . . . . . . . . 5174 1 342 . 1 1 28 28 GLU HB2 H 1 2.18 . . 2 . . . . . . . . 5174 1 343 . 1 1 28 28 GLU HB3 H 1 2.1 . . 2 . . . . . . . . 5174 1 344 . 1 1 28 28 GLU HG2 H 1 2.44 . . 2 . . . . . . . . 5174 1 345 . 1 1 28 28 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 5174 1 346 . 1 1 28 28 GLU C C 13 177.64 . . 1 . . . . . . . . 5174 1 347 . 1 1 28 28 GLU CA C 13 58.7 . . 1 . . . . . . . . 5174 1 348 . 1 1 28 28 GLU CB C 13 29.45 . . 1 . . . . . . . . 5174 1 349 . 1 1 28 28 GLU CG C 13 36.85 . . 1 . . . . . . . . 5174 1 350 . 1 1 28 28 GLU CD C 13 184.1 . . 1 . . . . . . . . 5174 1 351 . 1 1 28 28 GLU N N 15 118.14 . . 1 . . . . . . . . 5174 1 352 . 1 1 29 29 ARG H H 1 7.49 . . 1 . . . . . . . . 5174 1 353 . 1 1 29 29 ARG HA H 1 4.53 . . 1 . . . . . . . . 5174 1 354 . 1 1 29 29 ARG HB2 H 1 1.89 . . 1 . . . . . . . . 5174 1 355 . 1 1 29 29 ARG HB3 H 1 2.01 . . 1 . . . . . . . . 5174 1 356 . 1 1 29 29 ARG HG2 H 1 1.7 . . 1 . . . . . . . . 5174 1 357 . 1 1 29 29 ARG HG3 H 1 1.7 . . 1 . . . . . . . . 5174 1 358 . 1 1 29 29 ARG HD2 H 1 3.35 . . 1 . . . . . . . . 5174 1 359 . 1 1 29 29 ARG HD3 H 1 3.35 . . 1 . . . . . . . . 5174 1 360 . 1 1 29 29 ARG C C 13 176.71 . . 1 . . . . . . . . 5174 1 361 . 1 1 29 29 ARG CA C 13 55.51 . . 1 . . . . . . . . 5174 1 362 . 1 1 29 29 ARG CB C 13 31.7 . . 1 . . . . . . . . 5174 1 363 . 1 1 29 29 ARG CG C 13 27.76 . . 1 . . . . . . . . 5174 1 364 . 1 1 29 29 ARG CD C 13 43.55 . . 1 . . . . . . . . 5174 1 365 . 1 1 29 29 ARG N N 15 115.48 . . 1 . . . . . . . . 5174 1 366 . 1 1 30 30 ALA H H 1 7.66 . . 1 . . . . . . . . 5174 1 367 . 1 1 30 30 ALA HA H 1 4.15 . . 1 . . . . . . . . 5174 1 368 . 1 1 30 30 ALA HB1 H 1 1.37 . . 1 . . . . . . . . 5174 1 369 . 1 1 30 30 ALA HB2 H 1 1.37 . . 1 . . . . . . . . 5174 1 370 . 1 1 30 30 ALA HB3 H 1 1.37 . . 1 . . . . . . . . 5174 1 371 . 1 1 30 30 ALA C C 13 175.58 . . 1 . . . . . . . . 5174 1 372 . 1 1 30 30 ALA CA C 13 53.48 . . 1 . . . . . . . . 5174 1 373 . 1 1 30 30 ALA CB C 13 18.89 . . 1 . . . . . . . . 5174 1 374 . 1 1 30 30 ALA N N 15 122.61 . . 1 . . . . . . . . 5174 1 375 . 1 1 31 31 VAL H H 1 6.99 . . 1 . . . . . . . . 5174 1 376 . 1 1 31 31 VAL HA H 1 4.96 . . 1 . . . . . . . . 5174 1 377 . 1 1 31 31 VAL HB H 1 2.54 . . 1 . . . . . . . . 5174 1 378 . 1 1 31 31 VAL HG11 H 1 1.18 . . 1 . . . . . . . . 5174 1 379 . 1 1 31 31 VAL HG12 H 1 1.18 . . 1 . . . . . . . . 5174 1 380 . 1 1 31 31 VAL HG13 H 1 1.18 . . 1 . . . . . . . . 5174 1 381 . 1 1 31 31 VAL HG21 H 1 1.13 . . 1 . . . . . . . . 5174 1 382 . 1 1 31 31 VAL HG22 H 1 1.13 . . 1 . . . . . . . . 5174 1 383 . 1 1 31 31 VAL HG23 H 1 1.13 . . 1 . . . . . . . . 5174 1 384 . 1 1 31 31 VAL C C 13 175.66 . . 1 . . . . . . . . 5174 1 385 . 1 1 31 31 VAL CA C 13 58.17 . . 1 . . . . . . . . 5174 1 386 . 1 1 31 31 VAL CB C 13 32.95 . . 1 . . . . . . . . 5174 1 387 . 1 1 31 31 VAL CG1 C 13 21.79 . . 1 . . . . . . . . 5174 1 388 . 1 1 31 31 VAL CG2 C 13 19.71 . . 1 . . . . . . . . 5174 1 389 . 1 1 31 31 VAL N N 15 114.54 . . 1 . . . . . . . . 5174 1 390 . 1 1 32 32 PRO HA H 1 4.16 . . 1 . . . . . . . . 5174 1 391 . 1 1 32 32 PRO HB2 H 1 2.38 . . 1 . . . . . . . . 5174 1 392 . 1 1 32 32 PRO HB3 H 1 2.38 . . 1 . . . . . . . . 5174 1 393 . 1 1 32 32 PRO HG2 H 1 2.61 . . 2 . . . . . . . . 5174 1 394 . 1 1 32 32 PRO HG3 H 1 1.94 . . 2 . . . . . . . . 5174 1 395 . 1 1 32 32 PRO HD2 H 1 4.21 . . 1 . . . . . . . . 5174 1 396 . 1 1 32 32 PRO HD3 H 1 4.04 . . 1 . . . . . . . . 5174 1 397 . 1 1 32 32 PRO C C 13 177.26 . . 1 . . . . . . . . 5174 1 398 . 1 1 32 32 PRO CA C 13 67.53 . . 1 . . . . . . . . 5174 1 399 . 1 1 32 32 PRO CB C 13 32.93 . . 1 . . . . . . . . 5174 1 400 . 1 1 32 32 PRO CG C 13 28.56 . . 1 . . . . . . . . 5174 1 401 . 1 1 32 32 PRO CD C 13 51.21 . . 1 . . . . . . . . 5174 1 402 . 1 1 33 33 LYS H H 1 9.33 . . 1 . . . . . . . . 5174 1 403 . 1 1 33 33 LYS HA H 1 4.03 . . 1 . . . . . . . . 5174 1 404 . 1 1 33 33 LYS HB2 H 1 2.09 . . 2 . . . . . . . . 5174 1 405 . 1 1 33 33 LYS HB3 H 1 1.92 . . 2 . . . . . . . . 5174 1 406 . 1 1 33 33 LYS HG2 H 1 1.59 . . 1 . . . . . . . . 5174 1 407 . 1 1 33 33 LYS HG3 H 1 1.59 . . 1 . . . . . . . . 5174 1 408 . 1 1 33 33 LYS HD2 H 1 1.92 . . 2 . . . . . . . . 5174 1 409 . 1 1 33 33 LYS HD3 H 1 1.73 . . 2 . . . . . . . . 5174 1 410 . 1 1 33 33 LYS HE2 H 1 3.13 . . 1 . . . . . . . . 5174 1 411 . 1 1 33 33 LYS HE3 H 1 3.13 . . 1 . . . . . . . . 5174 1 412 . 1 1 33 33 LYS C C 13 177.66 . . 1 . . . . . . . . 5174 1 413 . 1 1 33 33 LYS CA C 13 60.35 . . 1 . . . . . . . . 5174 1 414 . 1 1 33 33 LYS CB C 13 33.09 . . 1 . . . . . . . . 5174 1 415 . 1 1 33 33 LYS CG C 13 25.28 . . 1 . . . . . . . . 5174 1 416 . 1 1 33 33 LYS CD C 13 29.33 . . 1 . . . . . . . . 5174 1 417 . 1 1 33 33 LYS CE C 13 42.18 . . 1 . . . . . . . . 5174 1 418 . 1 1 33 33 LYS N N 15 116.84 . . 1 . . . . . . . . 5174 1 419 . 1 1 34 34 LYS H H 1 6.8 . . 1 . . . . . . . . 5174 1 420 . 1 1 34 34 LYS HA H 1 4.37 . . 1 . . . . . . . . 5174 1 421 . 1 1 34 34 LYS HB2 H 1 2.07 . . 2 . . . . . . . . 5174 1 422 . 1 1 34 34 LYS HB3 H 1 1.95 . . 2 . . . . . . . . 5174 1 423 . 1 1 34 34 LYS HG2 H 1 1.65 . . 1 . . . . . . . . 5174 1 424 . 1 1 34 34 LYS HG3 H 1 1.65 . . 1 . . . . . . . . 5174 1 425 . 1 1 34 34 LYS HD2 H 1 1.89 . . 1 . . . . . . . . 5174 1 426 . 1 1 34 34 LYS HD3 H 1 1.89 . . 1 . . . . . . . . 5174 1 427 . 1 1 34 34 LYS HE2 H 1 3.1 . . 1 . . . . . . . . 5174 1 428 . 1 1 34 34 LYS HE3 H 1 3.1 . . 1 . . . . . . . . 5174 1 429 . 1 1 34 34 LYS C C 13 179.47 . . 1 . . . . . . . . 5174 1 430 . 1 1 34 34 LYS CA C 13 58.47 . . 1 . . . . . . . . 5174 1 431 . 1 1 34 34 LYS CB C 13 33.29 . . 1 . . . . . . . . 5174 1 432 . 1 1 34 34 LYS CG C 13 26.09 . . 1 . . . . . . . . 5174 1 433 . 1 1 34 34 LYS CD C 13 29.02 . . 1 . . . . . . . . 5174 1 434 . 1 1 34 34 LYS CE C 13 42.13 . . 1 . . . . . . . . 5174 1 435 . 1 1 34 34 LYS N N 15 114.99 . . 1 . . . . . . . . 5174 1 436 . 1 1 35 35 ILE H H 1 7.87 . . 1 . . . . . . . . 5174 1 437 . 1 1 35 35 ILE HA H 1 3.53 . . 1 . . . . . . . . 5174 1 438 . 1 1 35 35 ILE HB H 1 2.02 . . 1 . . . . . . . . 5174 1 439 . 1 1 35 35 ILE HG12 H 1 0.64 . . 1 . . . . . . . . 5174 1 440 . 1 1 35 35 ILE HG13 H 1 1.65 . . 1 . . . . . . . . 5174 1 441 . 1 1 35 35 ILE HG21 H 1 1.01 . . 1 . . . . . . . . 5174 1 442 . 1 1 35 35 ILE HG22 H 1 1.01 . . 1 . . . . . . . . 5174 1 443 . 1 1 35 35 ILE HG23 H 1 1.01 . . 1 . . . . . . . . 5174 1 444 . 1 1 35 35 ILE HD11 H 1 0.68 . . 1 . . . . . . . . 5174 1 445 . 1 1 35 35 ILE HD12 H 1 0.68 . . 1 . . . . . . . . 5174 1 446 . 1 1 35 35 ILE HD13 H 1 0.68 . . 1 . . . . . . . . 5174 1 447 . 1 1 35 35 ILE C C 13 177.59 . . 1 . . . . . . . . 5174 1 448 . 1 1 35 35 ILE CA C 13 65.48 . . 1 . . . . . . . . 5174 1 449 . 1 1 35 35 ILE CB C 13 38.54 . . 1 . . . . . . . . 5174 1 450 . 1 1 35 35 ILE CG1 C 13 28.89 . . 1 . . . . . . . . 5174 1 451 . 1 1 35 35 ILE CG2 C 13 18.92 . . 1 . . . . . . . . 5174 1 452 . 1 1 35 35 ILE CD1 C 13 15.96 . . 1 . . . . . . . . 5174 1 453 . 1 1 35 35 ILE N N 15 118.62 . . 1 . . . . . . . . 5174 1 454 . 1 1 36 36 LEU H H 1 8.54 . . 1 . . . . . . . . 5174 1 455 . 1 1 36 36 LEU HA H 1 4.14 . . 1 . . . . . . . . 5174 1 456 . 1 1 36 36 LEU HB2 H 1 1.67 . . 1 . . . . . . . . 5174 1 457 . 1 1 36 36 LEU HB3 H 1 2.13 . . 1 . . . . . . . . 5174 1 458 . 1 1 36 36 LEU HG H 1 1.76 . . 1 . . . . . . . . 5174 1 459 . 1 1 36 36 LEU HD11 H 1 0.93 . . 2 . . . . . . . . 5174 1 460 . 1 1 36 36 LEU HD12 H 1 0.93 . . 2 . . . . . . . . 5174 1 461 . 1 1 36 36 LEU HD13 H 1 0.93 . . 2 . . . . . . . . 5174 1 462 . 1 1 36 36 LEU HD21 H 1 0.97 . . 2 . . . . . . . . 5174 1 463 . 1 1 36 36 LEU HD22 H 1 0.97 . . 2 . . . . . . . . 5174 1 464 . 1 1 36 36 LEU HD23 H 1 0.97 . . 2 . . . . . . . . 5174 1 465 . 1 1 36 36 LEU C C 13 180 . . 1 . . . . . . . . 5174 1 466 . 1 1 36 36 LEU CA C 13 58.48 . . 1 . . . . . . . . 5174 1 467 . 1 1 36 36 LEU CB C 13 42.58 . . 1 . . . . . . . . 5174 1 468 . 1 1 36 36 LEU CG C 13 26.94 . . 1 . . . . . . . . 5174 1 469 . 1 1 36 36 LEU CD1 C 13 24.61 . . 1 . . . . . . . . 5174 1 470 . 1 1 36 36 LEU CD2 C 13 26 . . 1 . . . . . . . . 5174 1 471 . 1 1 36 36 LEU N N 15 119.36 . . 1 . . . . . . . . 5174 1 472 . 1 1 37 37 ASP H H 1 7.99 . . 1 . . . . . . . . 5174 1 473 . 1 1 37 37 ASP HA H 1 4.48 . . 1 . . . . . . . . 5174 1 474 . 1 1 37 37 ASP HB2 H 1 2.88 . . 2 . . . . . . . . 5174 1 475 . 1 1 37 37 ASP HB3 H 1 2.81 . . 2 . . . . . . . . 5174 1 476 . 1 1 37 37 ASP C C 13 178.66 . . 1 . . . . . . . . 5174 1 477 . 1 1 37 37 ASP CA C 13 57.41 . . 1 . . . . . . . . 5174 1 478 . 1 1 37 37 ASP CB C 13 40.81 . . 1 . . . . . . . . 5174 1 479 . 1 1 37 37 ASP CG C 13 179 . . 1 . . . . . . . . 5174 1 480 . 1 1 37 37 ASP N N 15 118.82 . . 1 . . . . . . . . 5174 1 481 . 1 1 38 38 LEU H H 1 7.55 . . 1 . . . . . . . . 5174 1 482 . 1 1 38 38 LEU HA H 1 4.22 . . 1 . . . . . . . . 5174 1 483 . 1 1 38 38 LEU HB2 H 1 1.96 . . 1 . . . . . . . . 5174 1 484 . 1 1 38 38 LEU HB3 H 1 1.6 . . 1 . . . . . . . . 5174 1 485 . 1 1 38 38 LEU HG H 1 1.9 . . 1 . . . . . . . . 5174 1 486 . 1 1 38 38 LEU HD11 H 1 1 . . 2 . . . . . . . . 5174 1 487 . 1 1 38 38 LEU HD12 H 1 1 . . 2 . . . . . . . . 5174 1 488 . 1 1 38 38 LEU HD13 H 1 1 . . 2 . . . . . . . . 5174 1 489 . 1 1 38 38 LEU HD21 H 1 0.89 . . 2 . . . . . . . . 5174 1 490 . 1 1 38 38 LEU HD22 H 1 0.89 . . 2 . . . . . . . . 5174 1 491 . 1 1 38 38 LEU HD23 H 1 0.89 . . 2 . . . . . . . . 5174 1 492 . 1 1 38 38 LEU C C 13 179.39 . . 1 . . . . . . . . 5174 1 493 . 1 1 38 38 LEU CA C 13 57.19 . . 1 . . . . . . . . 5174 1 494 . 1 1 38 38 LEU CB C 13 42.79 . . 1 . . . . . . . . 5174 1 495 . 1 1 38 38 LEU CG C 13 27.56 . . 1 . . . . . . . . 5174 1 496 . 1 1 38 38 LEU CD1 C 13 26.21 . . 1 . . . . . . . . 5174 1 497 . 1 1 38 38 LEU CD2 C 13 23.37 . . 1 . . . . . . . . 5174 1 498 . 1 1 38 38 LEU N N 15 118.48 . . 1 . . . . . . . . 5174 1 499 . 1 1 39 39 MET H H 1 8.45 . . 1 . . . . . . . . 5174 1 500 . 1 1 39 39 MET HA H 1 3.99 . . 1 . . . . . . . . 5174 1 501 . 1 1 39 39 MET HB2 H 1 2.2 . . 1 . . . . . . . . 5174 1 502 . 1 1 39 39 MET HB3 H 1 2.2 . . 1 . . . . . . . . 5174 1 503 . 1 1 39 39 MET HG2 H 1 3.01 . . 2 . . . . . . . . 5174 1 504 . 1 1 39 39 MET HG3 H 1 2.26 . . 2 . . . . . . . . 5174 1 505 . 1 1 39 39 MET HE1 H 1 2.22 . . 1 . . . . . . . . 5174 1 506 . 1 1 39 39 MET HE2 H 1 2.22 . . 1 . . . . . . . . 5174 1 507 . 1 1 39 39 MET HE3 H 1 2.22 . . 1 . . . . . . . . 5174 1 508 . 1 1 39 39 MET C C 13 176.69 . . 1 . . . . . . . . 5174 1 509 . 1 1 39 39 MET CA C 13 59.71 . . 1 . . . . . . . . 5174 1 510 . 1 1 39 39 MET CB C 13 33.93 . . 1 . . . . . . . . 5174 1 511 . 1 1 39 39 MET CG C 13 32.55 . . 1 . . . . . . . . 5174 1 512 . 1 1 39 39 MET CE C 13 17.39 . . 1 . . . . . . . . 5174 1 513 . 1 1 39 39 MET N N 15 117.3 . . 1 . . . . . . . . 5174 1 514 . 1 1 40 40 ASN H H 1 7.81 . . 1 . . . . . . . . 5174 1 515 . 1 1 40 40 ASN HA H 1 4.51 . . 1 . . . . . . . . 5174 1 516 . 1 1 40 40 ASN HB2 H 1 3.25 . . 2 . . . . . . . . 5174 1 517 . 1 1 40 40 ASN HB3 H 1 2.48 . . 2 . . . . . . . . 5174 1 518 . 1 1 40 40 ASN HD21 H 1 7.57 . . 2 . . . . . . . . 5174 1 519 . 1 1 40 40 ASN HD22 H 1 6.79 . . 2 . . . . . . . . 5174 1 520 . 1 1 40 40 ASN C C 13 174.24 . . 1 . . . . . . . . 5174 1 521 . 1 1 40 40 ASN CA C 13 54.12 . . 1 . . . . . . . . 5174 1 522 . 1 1 40 40 ASN CB C 13 37.54 . . 1 . . . . . . . . 5174 1 523 . 1 1 40 40 ASN CG C 13 178.49 . . 1 . . . . . . . . 5174 1 524 . 1 1 40 40 ASN N N 15 113.13 . . 1 . . . . . . . . 5174 1 525 . 1 1 40 40 ASN ND2 N 15 110.99 . . 1 . . . . . . . . 5174 1 526 . 1 1 41 41 VAL H H 1 8.62 . . 1 . . . . . . . . 5174 1 527 . 1 1 41 41 VAL HA H 1 4.48 . . 1 . . . . . . . . 5174 1 528 . 1 1 41 41 VAL HB H 1 2.04 . . 1 . . . . . . . . 5174 1 529 . 1 1 41 41 VAL HG11 H 1 0.95 . . 2 . . . . . . . . 5174 1 530 . 1 1 41 41 VAL HG12 H 1 0.95 . . 2 . . . . . . . . 5174 1 531 . 1 1 41 41 VAL HG13 H 1 0.95 . . 2 . . . . . . . . 5174 1 532 . 1 1 41 41 VAL HG21 H 1 0.89 . . 2 . . . . . . . . 5174 1 533 . 1 1 41 41 VAL HG22 H 1 0.89 . . 2 . . . . . . . . 5174 1 534 . 1 1 41 41 VAL HG23 H 1 0.89 . . 2 . . . . . . . . 5174 1 535 . 1 1 41 41 VAL C C 13 175.86 . . 1 . . . . . . . . 5174 1 536 . 1 1 41 41 VAL CA C 13 60.6 . . 1 . . . . . . . . 5174 1 537 . 1 1 41 41 VAL CB C 13 34.3 . . 1 . . . . . . . . 5174 1 538 . 1 1 41 41 VAL CG1 C 13 21.9 . . 1 . . . . . . . . 5174 1 539 . 1 1 41 41 VAL CG2 C 13 20.35 . . 1 . . . . . . . . 5174 1 540 . 1 1 41 41 VAL N N 15 116.57 . . 1 . . . . . . . . 5174 1 541 . 1 1 42 42 ASP H H 1 8.57 . . 1 . . . . . . . . 5174 1 542 . 1 1 42 42 ASP HA H 1 4.6 . . 1 . . . . . . . . 5174 1 543 . 1 1 42 42 ASP HB2 H 1 2.78 . . 2 . . . . . . . . 5174 1 544 . 1 1 42 42 ASP HB3 H 1 2.71 . . 2 . . . . . . . . 5174 1 545 . 1 1 42 42 ASP C C 13 177.29 . . 1 . . . . . . . . 5174 1 546 . 1 1 42 42 ASP CA C 13 55.79 . . 1 . . . . . . . . 5174 1 547 . 1 1 42 42 ASP CB C 13 41.59 . . 1 . . . . . . . . 5174 1 548 . 1 1 42 42 ASP CG C 13 179.95 . . 1 . . . . . . . . 5174 1 549 . 1 1 42 42 ASP N N 15 124.82 . . 1 . . . . . . . . 5174 1 550 . 1 1 43 43 LYS H H 1 8.13 . . 1 . . . . . . . . 5174 1 551 . 1 1 43 43 LYS HA H 1 4.06 . . 1 . . . . . . . . 5174 1 552 . 1 1 43 43 LYS HB2 H 1 1.99 . . 2 . . . . . . . . 5174 1 553 . 1 1 43 43 LYS HB3 H 1 1.91 . . 2 . . . . . . . . 5174 1 554 . 1 1 43 43 LYS HG2 H 1 1.41 . . 1 . . . . . . . . 5174 1 555 . 1 1 43 43 LYS HG3 H 1 1.41 . . 1 . . . . . . . . 5174 1 556 . 1 1 43 43 LYS HD2 H 1 1.7 . . 1 . . . . . . . . 5174 1 557 . 1 1 43 43 LYS HD3 H 1 1.7 . . 1 . . . . . . . . 5174 1 558 . 1 1 43 43 LYS HE2 H 1 3.03 . . 1 . . . . . . . . 5174 1 559 . 1 1 43 43 LYS HE3 H 1 3.03 . . 1 . . . . . . . . 5174 1 560 . 1 1 43 43 LYS C C 13 176.28 . . 1 . . . . . . . . 5174 1 561 . 1 1 43 43 LYS CA C 13 58.15 . . 1 . . . . . . . . 5174 1 562 . 1 1 43 43 LYS CB C 13 31.74 . . 1 . . . . . . . . 5174 1 563 . 1 1 43 43 LYS CG C 13 25.26 . . 1 . . . . . . . . 5174 1 564 . 1 1 43 43 LYS CD C 13 29.22 . . 1 . . . . . . . . 5174 1 565 . 1 1 43 43 LYS CE C 13 42.13 . . 1 . . . . . . . . 5174 1 566 . 1 1 43 43 LYS N N 15 114.53 . . 1 . . . . . . . . 5174 1 567 . 1 1 44 44 LEU H H 1 7.39 . . 1 . . . . . . . . 5174 1 568 . 1 1 44 44 LEU HA H 1 4.51 . . 1 . . . . . . . . 5174 1 569 . 1 1 44 44 LEU HB2 H 1 1.61 . . 2 . . . . . . . . 5174 1 570 . 1 1 44 44 LEU HB3 H 1 1.38 . . 2 . . . . . . . . 5174 1 571 . 1 1 44 44 LEU HG H 1 1.52 . . 1 . . . . . . . . 5174 1 572 . 1 1 44 44 LEU HD11 H 1 0.68 . . 2 . . . . . . . . 5174 1 573 . 1 1 44 44 LEU HD12 H 1 0.68 . . 2 . . . . . . . . 5174 1 574 . 1 1 44 44 LEU HD13 H 1 0.68 . . 2 . . . . . . . . 5174 1 575 . 1 1 44 44 LEU HD21 H 1 0.6 . . 2 . . . . . . . . 5174 1 576 . 1 1 44 44 LEU HD22 H 1 0.6 . . 2 . . . . . . . . 5174 1 577 . 1 1 44 44 LEU HD23 H 1 0.6 . . 2 . . . . . . . . 5174 1 578 . 1 1 44 44 LEU C C 13 176.44 . . 1 . . . . . . . . 5174 1 579 . 1 1 44 44 LEU CA C 13 54.72 . . 1 . . . . . . . . 5174 1 580 . 1 1 44 44 LEU CB C 13 44.51 . . 1 . . . . . . . . 5174 1 581 . 1 1 44 44 LEU CG C 13 27.12 . . 1 . . . . . . . . 5174 1 582 . 1 1 44 44 LEU N N 15 120.36 . . 1 . . . . . . . . 5174 1 583 . 1 1 45 45 THR H H 1 8.46 . . 1 . . . . . . . . 5174 1 584 . 1 1 45 45 THR HA H 1 4.87 . . 1 . . . . . . . . 5174 1 585 . 1 1 45 45 THR HB H 1 4.87 . . 1 . . . . . . . . 5174 1 586 . 1 1 45 45 THR HG21 H 1 1.38 . . 1 . . . . . . . . 5174 1 587 . 1 1 45 45 THR HG22 H 1 1.38 . . 1 . . . . . . . . 5174 1 588 . 1 1 45 45 THR HG23 H 1 1.38 . . 1 . . . . . . . . 5174 1 589 . 1 1 45 45 THR C C 13 176.25 . . 1 . . . . . . . . 5174 1 590 . 1 1 45 45 THR CA C 13 59.63 . . 1 . . . . . . . . 5174 1 591 . 1 1 45 45 THR CB C 13 72.74 . . 1 . . . . . . . . 5174 1 592 . 1 1 45 45 THR CG2 C 13 21.85 . . 1 . . . . . . . . 5174 1 593 . 1 1 45 45 THR N N 15 112.83 . . 1 . . . . . . . . 5174 1 594 . 1 1 46 46 ARG H H 1 9.37 . . 1 . . . . . . . . 5174 1 595 . 1 1 46 46 ARG HA H 1 3.82 . . 1 . . . . . . . . 5174 1 596 . 1 1 46 46 ARG HB2 H 1 2.08 . . 2 . . . . . . . . 5174 1 597 . 1 1 46 46 ARG HB3 H 1 1.98 . . 2 . . . . . . . . 5174 1 598 . 1 1 46 46 ARG HG2 H 1 1.74 . . 2 . . . . . . . . 5174 1 599 . 1 1 46 46 ARG HG3 H 1 1.65 . . 2 . . . . . . . . 5174 1 600 . 1 1 46 46 ARG HD2 H 1 3.48 . . 2 . . . . . . . . 5174 1 601 . 1 1 46 46 ARG HD3 H 1 3.36 . . 2 . . . . . . . . 5174 1 602 . 1 1 46 46 ARG C C 13 178.24 . . 1 . . . . . . . . 5174 1 603 . 1 1 46 46 ARG CA C 13 60.64 . . 1 . . . . . . . . 5174 1 604 . 1 1 46 46 ARG CB C 13 30.03 . . 1 . . . . . . . . 5174 1 605 . 1 1 46 46 ARG CG C 13 27.75 . . 1 . . . . . . . . 5174 1 606 . 1 1 46 46 ARG CD C 13 43.78 . . 1 . . . . . . . . 5174 1 607 . 1 1 46 46 ARG N N 15 121.8 . . 1 . . . . . . . . 5174 1 608 . 1 1 47 47 GLU H H 1 8.94 . . 1 . . . . . . . . 5174 1 609 . 1 1 47 47 GLU HA H 1 4.21 . . 1 . . . . . . . . 5174 1 610 . 1 1 47 47 GLU HB2 H 1 2.23 . . 2 . . . . . . . . 5174 1 611 . 1 1 47 47 GLU HB3 H 1 2.11 . . 2 . . . . . . . . 5174 1 612 . 1 1 47 47 GLU HG2 H 1 2.57 . . 2 . . . . . . . . 5174 1 613 . 1 1 47 47 GLU HG3 H 1 2.43 . . 2 . . . . . . . . 5174 1 614 . 1 1 47 47 GLU C C 13 179.43 . . 1 . . . . . . . . 5174 1 615 . 1 1 47 47 GLU CA C 13 60.55 . . 1 . . . . . . . . 5174 1 616 . 1 1 47 47 GLU CB C 13 29.08 . . 1 . . . . . . . . 5174 1 617 . 1 1 47 47 GLU CG C 13 37.26 . . 1 . . . . . . . . 5174 1 618 . 1 1 47 47 GLU CD C 13 184.43 . . 1 . . . . . . . . 5174 1 619 . 1 1 47 47 GLU N N 15 118.67 . . 1 . . . . . . . . 5174 1 620 . 1 1 48 48 ASN H H 1 8.23 . . 1 . . . . . . . . 5174 1 621 . 1 1 48 48 ASN HA H 1 4.91 . . 1 . . . . . . . . 5174 1 622 . 1 1 48 48 ASN HB2 H 1 3.3 . . 1 . . . . . . . . 5174 1 623 . 1 1 48 48 ASN HB3 H 1 2.98 . . 1 . . . . . . . . 5174 1 624 . 1 1 48 48 ASN C C 13 179.21 . . 1 . . . . . . . . 5174 1 625 . 1 1 48 48 ASN CA C 13 56.43 . . 1 . . . . . . . . 5174 1 626 . 1 1 48 48 ASN CB C 13 40.28 . . 1 . . . . . . . . 5174 1 627 . 1 1 48 48 ASN CG C 13 175.29 . . 1 . . . . . . . . 5174 1 628 . 1 1 48 48 ASN N N 15 118.31 . . 1 . . . . . . . . 5174 1 629 . 1 1 48 48 ASN ND2 N 15 110.02 . . 1 . . . . . . . . 5174 1 630 . 1 1 49 49 VAL H H 1 8.16 . . 1 . . . . . . . . 5174 1 631 . 1 1 49 49 VAL HA H 1 3.94 . . 1 . . . . . . . . 5174 1 632 . 1 1 49 49 VAL HB H 1 2.47 . . 1 . . . . . . . . 5174 1 633 . 1 1 49 49 VAL HG11 H 1 1.35 . . 1 . . . . . . . . 5174 1 634 . 1 1 49 49 VAL HG12 H 1 1.35 . . 1 . . . . . . . . 5174 1 635 . 1 1 49 49 VAL HG13 H 1 1.35 . . 1 . . . . . . . . 5174 1 636 . 1 1 49 49 VAL HG21 H 1 1.43 . . 1 . . . . . . . . 5174 1 637 . 1 1 49 49 VAL HG22 H 1 1.43 . . 1 . . . . . . . . 5174 1 638 . 1 1 49 49 VAL HG23 H 1 1.43 . . 1 . . . . . . . . 5174 1 639 . 1 1 49 49 VAL C C 13 177.1 . . 1 . . . . . . . . 5174 1 640 . 1 1 49 49 VAL CA C 13 67.83 . . 1 . . . . . . . . 5174 1 641 . 1 1 49 49 VAL CB C 13 31.82 . . 1 . . . . . . . . 5174 1 642 . 1 1 49 49 VAL CG1 C 13 23.64 . . 1 . . . . . . . . 5174 1 643 . 1 1 49 49 VAL CG2 C 13 25.46 . . 1 . . . . . . . . 5174 1 644 . 1 1 49 49 VAL N N 15 119.41 . . 1 . . . . . . . . 5174 1 645 . 1 1 50 50 ALA H H 1 9.41 . . 1 . . . . . . . . 5174 1 646 . 1 1 50 50 ALA HA H 1 4.17 . . 1 . . . . . . . . 5174 1 647 . 1 1 50 50 ALA HB1 H 1 1.74 . . 1 . . . . . . . . 5174 1 648 . 1 1 50 50 ALA HB2 H 1 1.74 . . 1 . . . . . . . . 5174 1 649 . 1 1 50 50 ALA HB3 H 1 1.74 . . 1 . . . . . . . . 5174 1 650 . 1 1 50 50 ALA C C 13 180.77 . . 1 . . . . . . . . 5174 1 651 . 1 1 50 50 ALA CA C 13 56.23 . . 1 . . . . . . . . 5174 1 652 . 1 1 50 50 ALA CB C 13 18.62 . . 1 . . . . . . . . 5174 1 653 . 1 1 50 50 ALA N N 15 123.41 . . 1 . . . . . . . . 5174 1 654 . 1 1 51 51 SER H H 1 8.43 . . 1 . . . . . . . . 5174 1 655 . 1 1 51 51 SER HA H 1 4.43 . . 1 . . . . . . . . 5174 1 656 . 1 1 51 51 SER HB2 H 1 4.21 . . 1 . . . . . . . . 5174 1 657 . 1 1 51 51 SER HB3 H 1 4.21 . . 1 . . . . . . . . 5174 1 658 . 1 1 51 51 SER C C 13 176.95 . . 1 . . . . . . . . 5174 1 659 . 1 1 51 51 SER CA C 13 61.61 . . 1 . . . . . . . . 5174 1 660 . 1 1 51 51 SER CB C 13 63.05 . . 1 . . . . . . . . 5174 1 661 . 1 1 51 51 SER N N 15 113.37 . . 1 . . . . . . . . 5174 1 662 . 1 1 52 52 HIS H H 1 7.85 . . 1 . . . . . . . . 5174 1 663 . 1 1 52 52 HIS HA H 1 4.1 . . 1 . . . . . . . . 5174 1 664 . 1 1 52 52 HIS HB2 H 1 2.63 . . 1 . . . . . . . . 5174 1 665 . 1 1 52 52 HIS HB3 H 1 2.4 . . 1 . . . . . . . . 5174 1 666 . 1 1 52 52 HIS C C 13 177.33 . . 1 . . . . . . . . 5174 1 667 . 1 1 52 52 HIS CA C 13 59.47 . . 1 . . . . . . . . 5174 1 668 . 1 1 52 52 HIS CB C 13 29.74 . . 1 . . . . . . . . 5174 1 669 . 1 1 52 52 HIS N N 15 122.25 . . 1 . . . . . . . . 5174 1 670 . 1 1 53 53 LEU H H 1 9.11 . . 1 . . . . . . . . 5174 1 671 . 1 1 53 53 LEU HA H 1 4.41 . . 1 . . . . . . . . 5174 1 672 . 1 1 53 53 LEU HB2 H 1 1.67 . . 1 . . . . . . . . 5174 1 673 . 1 1 53 53 LEU HB3 H 1 2.36 . . 1 . . . . . . . . 5174 1 674 . 1 1 53 53 LEU HG H 1 1.83 . . 1 . . . . . . . . 5174 1 675 . 1 1 53 53 LEU HD11 H 1 1.12 . . 2 . . . . . . . . 5174 1 676 . 1 1 53 53 LEU HD12 H 1 1.12 . . 2 . . . . . . . . 5174 1 677 . 1 1 53 53 LEU HD13 H 1 1.12 . . 2 . . . . . . . . 5174 1 678 . 1 1 53 53 LEU HD21 H 1 1 . . 2 . . . . . . . . 5174 1 679 . 1 1 53 53 LEU HD22 H 1 1 . . 2 . . . . . . . . 5174 1 680 . 1 1 53 53 LEU HD23 H 1 1 . . 2 . . . . . . . . 5174 1 681 . 1 1 53 53 LEU C C 13 177.64 . . 1 . . . . . . . . 5174 1 682 . 1 1 53 53 LEU CA C 13 58.25 . . 1 . . . . . . . . 5174 1 683 . 1 1 53 53 LEU CB C 13 43.05 . . 1 . . . . . . . . 5174 1 684 . 1 1 53 53 LEU CG C 13 27.25 . . 1 . . . . . . . . 5174 1 685 . 1 1 53 53 LEU CD1 C 13 23.01 . . 1 . . . . . . . . 5174 1 686 . 1 1 53 53 LEU CD2 C 13 26.27 . . 1 . . . . . . . . 5174 1 687 . 1 1 53 53 LEU N N 15 119.34 . . 1 . . . . . . . . 5174 1 688 . 1 1 54 54 GLN H H 1 8.12 . . 1 . . . . . . . . 5174 1 689 . 1 1 54 54 GLN HA H 1 4.26 . . 1 . . . . . . . . 5174 1 690 . 1 1 54 54 GLN HB2 H 1 2.34 . . 1 . . . . . . . . 5174 1 691 . 1 1 54 54 GLN HB3 H 1 2.34 . . 1 . . . . . . . . 5174 1 692 . 1 1 54 54 GLN HG2 H 1 2.62 . . 2 . . . . . . . . 5174 1 693 . 1 1 54 54 GLN HG3 H 1 2.58 . . 2 . . . . . . . . 5174 1 694 . 1 1 54 54 GLN HE21 H 1 7.53 . . 2 . . . . . . . . 5174 1 695 . 1 1 54 54 GLN HE22 H 1 6.96 . . 2 . . . . . . . . 5174 1 696 . 1 1 54 54 GLN C C 13 178.56 . . 1 . . . . . . . . 5174 1 697 . 1 1 54 54 GLN CA C 13 59.44 . . 1 . . . . . . . . 5174 1 698 . 1 1 54 54 GLN CB C 13 28.15 . . 1 . . . . . . . . 5174 1 699 . 1 1 54 54 GLN CG C 13 33.68 . . 1 . . . . . . . . 5174 1 700 . 1 1 54 54 GLN CD C 13 180.25 . . 1 . . . . . . . . 5174 1 701 . 1 1 54 54 GLN N N 15 118.85 . . 1 . . . . . . . . 5174 1 702 . 1 1 54 54 GLN NE2 N 15 111.5 . . 1 . . . . . . . . 5174 1 703 . 1 1 55 55 LYS H H 1 7.55 . . 1 . . . . . . . . 5174 1 704 . 1 1 55 55 LYS HA H 1 4.03 . . 1 . . . . . . . . 5174 1 705 . 1 1 55 55 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 5174 1 706 . 1 1 55 55 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 5174 1 707 . 1 1 55 55 LYS HG2 H 1 1.64 . . 2 . . . . . . . . 5174 1 708 . 1 1 55 55 LYS HG3 H 1 1.41 . . 2 . . . . . . . . 5174 1 709 . 1 1 55 55 LYS HD2 H 1 1.7 . . 1 . . . . . . . . 5174 1 710 . 1 1 55 55 LYS HD3 H 1 1.7 . . 1 . . . . . . . . 5174 1 711 . 1 1 55 55 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 5174 1 712 . 1 1 55 55 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 5174 1 713 . 1 1 55 55 LYS C C 13 178.98 . . 1 . . . . . . . . 5174 1 714 . 1 1 55 55 LYS CA C 13 59.46 . . 1 . . . . . . . . 5174 1 715 . 1 1 55 55 LYS CB C 13 32.74 . . 1 . . . . . . . . 5174 1 716 . 1 1 55 55 LYS CG C 13 25.6 . . 1 . . . . . . . . 5174 1 717 . 1 1 55 55 LYS CD C 13 29.63 . . 1 . . . . . . . . 5174 1 718 . 1 1 55 55 LYS CE C 13 42.11 . . 1 . . . . . . . . 5174 1 719 . 1 1 55 55 LYS N N 15 117.39 . . 1 . . . . . . . . 5174 1 720 . 1 1 56 56 PHE H H 1 8.11 . . 1 . . . . . . . . 5174 1 721 . 1 1 56 56 PHE HA H 1 4.37 . . 1 . . . . . . . . 5174 1 722 . 1 1 56 56 PHE HB2 H 1 3.15 . . 1 . . . . . . . . 5174 1 723 . 1 1 56 56 PHE HB3 H 1 3.4 . . 1 . . . . . . . . 5174 1 724 . 1 1 56 56 PHE HD1 H 1 7.29 . . 3 . . . . . . . . 5174 1 725 . 1 1 56 56 PHE C C 13 176.91 . . 1 . . . . . . . . 5174 1 726 . 1 1 56 56 PHE CA C 13 60.79 . . 1 . . . . . . . . 5174 1 727 . 1 1 56 56 PHE CB C 13 39.95 . . 1 . . . . . . . . 5174 1 728 . 1 1 56 56 PHE CD1 C 13 131.21 . . 3 . . . . . . . . 5174 1 729 . 1 1 56 56 PHE N N 15 120.64 . . 1 . . . . . . . . 5174 1 730 . 1 1 57 57 ARG H H 1 8.48 . . 1 . . . . . . . . 5174 1 731 . 1 1 57 57 ARG HA H 1 3.88 . . 1 . . . . . . . . 5174 1 732 . 1 1 57 57 ARG HB2 H 1 2.07 . . 2 . . . . . . . . 5174 1 733 . 1 1 57 57 ARG HB3 H 1 1.96 . . 2 . . . . . . . . 5174 1 734 . 1 1 57 57 ARG HG2 H 1 2.06 . . 2 . . . . . . . . 5174 1 735 . 1 1 57 57 ARG HG3 H 1 1.7 . . 2 . . . . . . . . 5174 1 736 . 1 1 57 57 ARG HD2 H 1 3.32 . . 1 . . . . . . . . 5174 1 737 . 1 1 57 57 ARG HD3 H 1 3.32 . . 1 . . . . . . . . 5174 1 738 . 1 1 57 57 ARG C C 13 179.29 . . 1 . . . . . . . . 5174 1 739 . 1 1 57 57 ARG CA C 13 60.04 . . 1 . . . . . . . . 5174 1 740 . 1 1 57 57 ARG CB C 13 30.45 . . 1 . . . . . . . . 5174 1 741 . 1 1 57 57 ARG CG C 13 29.18 . . 1 . . . . . . . . 5174 1 742 . 1 1 57 57 ARG CD C 13 43.96 . . 1 . . . . . . . . 5174 1 743 . 1 1 57 57 ARG N N 15 117.63 . . 1 . . . . . . . . 5174 1 744 . 1 1 58 58 VAL H H 1 7.92 . . 1 . . . . . . . . 5174 1 745 . 1 1 58 58 VAL HA H 1 3.83 . . 1 . . . . . . . . 5174 1 746 . 1 1 58 58 VAL HB H 1 2.2 . . 1 . . . . . . . . 5174 1 747 . 1 1 58 58 VAL HG11 H 1 1.03 . . 2 . . . . . . . . 5174 1 748 . 1 1 58 58 VAL HG12 H 1 1.03 . . 2 . . . . . . . . 5174 1 749 . 1 1 58 58 VAL HG13 H 1 1.03 . . 2 . . . . . . . . 5174 1 750 . 1 1 58 58 VAL HG21 H 1 1.16 . . 2 . . . . . . . . 5174 1 751 . 1 1 58 58 VAL HG22 H 1 1.16 . . 2 . . . . . . . . 5174 1 752 . 1 1 58 58 VAL HG23 H 1 1.16 . . 2 . . . . . . . . 5174 1 753 . 1 1 58 58 VAL C C 13 178.08 . . 1 . . . . . . . . 5174 1 754 . 1 1 58 58 VAL CA C 13 65.82 . . 1 . . . . . . . . 5174 1 755 . 1 1 58 58 VAL CB C 13 32.01 . . 1 . . . . . . . . 5174 1 756 . 1 1 58 58 VAL CG1 C 13 21.34 . . 1 . . . . . . . . 5174 1 757 . 1 1 58 58 VAL CG2 C 13 22.83 . . 1 . . . . . . . . 5174 1 758 . 1 1 58 58 VAL N N 15 118.6 . . 1 . . . . . . . . 5174 1 759 . 1 1 59 59 ALA H H 1 7.69 . . 1 . . . . . . . . 5174 1 760 . 1 1 59 59 ALA HA H 1 4.23 . . 1 . . . . . . . . 5174 1 761 . 1 1 59 59 ALA HB1 H 1 1.5 . . 1 . . . . . . . . 5174 1 762 . 1 1 59 59 ALA HB2 H 1 1.5 . . 1 . . . . . . . . 5174 1 763 . 1 1 59 59 ALA HB3 H 1 1.5 . . 1 . . . . . . . . 5174 1 764 . 1 1 59 59 ALA C C 13 179.55 . . 1 . . . . . . . . 5174 1 765 . 1 1 59 59 ALA CA C 13 54.14 . . 1 . . . . . . . . 5174 1 766 . 1 1 59 59 ALA CB C 13 18.59 . . 1 . . . . . . . . 5174 1 767 . 1 1 59 59 ALA N N 15 122.55 . . 1 . . . . . . . . 5174 1 768 . 1 1 60 60 LEU H H 1 7.69 . . 1 . . . . . . . . 5174 1 769 . 1 1 60 60 LEU HA H 1 4.14 . . 1 . . . . . . . . 5174 1 770 . 1 1 60 60 LEU HB2 H 1 1.54 . . 1 . . . . . . . . 5174 1 771 . 1 1 60 60 LEU HB3 H 1 1.62 . . 1 . . . . . . . . 5174 1 772 . 1 1 60 60 LEU HG H 1 1.55 . . 1 . . . . . . . . 5174 1 773 . 1 1 60 60 LEU HD11 H 1 0.79 . . 2 . . . . . . . . 5174 1 774 . 1 1 60 60 LEU HD12 H 1 0.79 . . 2 . . . . . . . . 5174 1 775 . 1 1 60 60 LEU HD13 H 1 0.79 . . 2 . . . . . . . . 5174 1 776 . 1 1 60 60 LEU HD21 H 1 0.8 . . 2 . . . . . . . . 5174 1 777 . 1 1 60 60 LEU HD22 H 1 0.8 . . 2 . . . . . . . . 5174 1 778 . 1 1 60 60 LEU HD23 H 1 0.8 . . 2 . . . . . . . . 5174 1 779 . 1 1 60 60 LEU C C 13 178.37 . . 1 . . . . . . . . 5174 1 780 . 1 1 60 60 LEU CA C 13 56.24 . . 1 . . . . . . . . 5174 1 781 . 1 1 60 60 LEU CB C 13 42.51 . . 1 . . . . . . . . 5174 1 782 . 1 1 60 60 LEU CG C 13 26.62 . . 1 . . . . . . . . 5174 1 783 . 1 1 60 60 LEU CD1 C 13 25.38 . . 1 . . . . . . . . 5174 1 784 . 1 1 60 60 LEU CD2 C 13 23.59 . . 1 . . . . . . . . 5174 1 785 . 1 1 60 60 LEU N N 15 118.21 . . 1 . . . . . . . . 5174 1 786 . 1 1 61 61 LYS H H 1 7.69 . . 1 . . . . . . . . 5174 1 787 . 1 1 61 61 LYS HA H 1 4.29 . . 1 . . . . . . . . 5174 1 788 . 1 1 61 61 LYS HB2 H 1 1.98 . . 2 . . . . . . . . 5174 1 789 . 1 1 61 61 LYS HB3 H 1 1.92 . . 2 . . . . . . . . 5174 1 790 . 1 1 61 61 LYS HG2 H 1 1.62 . . 2 . . . . . . . . 5174 1 791 . 1 1 61 61 LYS HG3 H 1 1.52 . . 2 . . . . . . . . 5174 1 792 . 1 1 61 61 LYS HD2 H 1 1.78 . . 1 . . . . . . . . 5174 1 793 . 1 1 61 61 LYS HD3 H 1 1.78 . . 1 . . . . . . . . 5174 1 794 . 1 1 61 61 LYS HE2 H 1 3.08 . . 1 . . . . . . . . 5174 1 795 . 1 1 61 61 LYS HE3 H 1 3.08 . . 1 . . . . . . . . 5174 1 796 . 1 1 61 61 LYS C C 13 176.95 . . 1 . . . . . . . . 5174 1 797 . 1 1 61 61 LYS CA C 13 56.95 . . 1 . . . . . . . . 5174 1 798 . 1 1 61 61 LYS CB C 13 32.84 . . 1 . . . . . . . . 5174 1 799 . 1 1 61 61 LYS CG C 13 25.14 . . 1 . . . . . . . . 5174 1 800 . 1 1 61 61 LYS CD C 13 30.35 . . 1 . . . . . . . . 5174 1 801 . 1 1 61 61 LYS CE C 13 42.38 . . 1 . . . . . . . . 5174 1 802 . 1 1 61 61 LYS N N 15 118.76 . . 1 . . . . . . . . 5174 1 803 . 1 1 62 62 LYS H H 1 7.98 . . 1 . . . . . . . . 5174 1 804 . 1 1 62 62 LYS HA H 1 4.41 . . 1 . . . . . . . . 5174 1 805 . 1 1 62 62 LYS C C 13 176.83 . . 1 . . . . . . . . 5174 1 806 . 1 1 62 62 LYS CA C 13 56.87 . . 1 . . . . . . . . 5174 1 807 . 1 1 62 62 LYS CB C 13 33.17 . . 1 . . . . . . . . 5174 1 808 . 1 1 62 62 LYS CG C 13 25.08 . . 1 . . . . . . . . 5174 1 809 . 1 1 62 62 LYS CD C 13 29.3 . . 1 . . . . . . . . 5174 1 810 . 1 1 62 62 LYS CE C 13 42.38 . . 1 . . . . . . . . 5174 1 811 . 1 1 62 62 LYS N N 15 120.97 . . 1 . . . . . . . . 5174 1 812 . 1 1 63 63 VAL H H 1 8.08 . . 1 . . . . . . . . 5174 1 813 . 1 1 63 63 VAL HA H 1 4.31 . . 1 . . . . . . . . 5174 1 814 . 1 1 63 63 VAL HB H 1 2.26 . . 1 . . . . . . . . 5174 1 815 . 1 1 63 63 VAL HG11 H 1 1.05 . . 2 . . . . . . . . 5174 1 816 . 1 1 63 63 VAL HG12 H 1 1.05 . . 2 . . . . . . . . 5174 1 817 . 1 1 63 63 VAL HG13 H 1 1.05 . . 2 . . . . . . . . 5174 1 818 . 1 1 63 63 VAL HG21 H 1 1.04 . . 2 . . . . . . . . 5174 1 819 . 1 1 63 63 VAL HG22 H 1 1.04 . . 2 . . . . . . . . 5174 1 820 . 1 1 63 63 VAL HG23 H 1 1.04 . . 2 . . . . . . . . 5174 1 821 . 1 1 63 63 VAL C C 13 175.66 . . 1 . . . . . . . . 5174 1 822 . 1 1 63 63 VAL CA C 13 62.44 . . 1 . . . . . . . . 5174 1 823 . 1 1 63 63 VAL CB C 13 32.94 . . 1 . . . . . . . . 5174 1 824 . 1 1 63 63 VAL CG1 C 13 21.48 . . 1 . . . . . . . . 5174 1 825 . 1 1 63 63 VAL CG2 C 13 20.51 . . 1 . . . . . . . . 5174 1 826 . 1 1 63 63 VAL N N 15 120.06 . . 1 . . . . . . . . 5174 1 827 . 1 1 64 64 SER H H 1 7.99 . . 1 . . . . . . . . 5174 1 828 . 1 1 64 64 SER HA H 1 4.37 . . 1 . . . . . . . . 5174 1 829 . 1 1 64 64 SER HB2 H 1 3.93 . . 1 . . . . . . . . 5174 1 830 . 1 1 64 64 SER HB3 H 1 3.93 . . 1 . . . . . . . . 5174 1 831 . 1 1 64 64 SER C C 13 178.87 . . 1 . . . . . . . . 5174 1 832 . 1 1 64 64 SER CA C 13 60.12 . . 1 . . . . . . . . 5174 1 833 . 1 1 64 64 SER CB C 13 65.19 . . 1 . . . . . . . . 5174 1 834 . 1 1 64 64 SER N N 15 124.41 . . 1 . . . . . . . . 5174 1 stop_ save_