data_17950 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17950 _Entry.Title ; Solution structure of DNA binding domain of AtTRB2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-09-20 _Entry.Accession_date 2011-09-20 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Ji-Hye Yun . . . 17950 2 Weontae Lee . . . 17950 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 17950 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Myb-like domain' . 17950 'Telomere binding protein' . 17950 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17950 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 260 17950 '15N chemical shifts' 66 17950 '1H chemical shifts' 420 17950 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 2 . . 2013-01-17 2011-09-20 update BMRB 'update entry citation' 17950 1 . . 2012-09-20 2011-09-20 original author 'original release' 17950 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 17950 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22859734 _Citation.Full_citation . _Citation.Title 'DNA-binding domain of AtTRB2 reveals unique features of a single Myb histone protein family that binds to both Arabidopsis- and human-type telomeric DNA sequences.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Mol. Plant' _Citation.Journal_name_full 'Molecular plant' _Citation.Journal_volume 5 _Citation.Journal_issue 6 _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 1406 _Citation.Page_last 1408 _Citation.Year 2012 _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 'Won Kyung' Lee . . . 17950 1 2 Ji-Hye Yun . . . 17950 1 3 Weontae Lee . . . 17950 1 4 'Myeon Haeng' Cho . . . 17950 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17950 _Assembly.ID 1 _Assembly.Name AtTRB2 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 AtTRB2 1 $AtTRB2 A . yes native no no . . . 17950 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_AtTRB2 _Entity.Sf_category entity _Entity.Sf_framecode AtTRB2 _Entity.Entry_ID 17950 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name AtTRB2 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGAPKQKWTPEEEAALKAGV LKHGTGKWRTILSDTEFSLI LKSRSNVDLKDKWRNISVTA LWGS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 64 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7194.347 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 DBJ BAB08466 . "unnamed protein product [Arabidopsis thaliana]" . . . . . 100.00 299 100.00 100.00 3.40e-36 . . . . 17950 1 2 no GB AAK63987 . "AT5g67580/K9I9_15 [Arabidopsis thaliana]" . . . . . 100.00 299 100.00 100.00 3.40e-36 . . . . 17950 1 3 no GB AAL73441 . "telomere repeat binding factor 2 [Arabidopsis thaliana]" . . . . . 100.00 299 98.44 100.00 1.03e-35 . . . . 17950 1 4 no GB AAL73442 . "telomere repeat binding factor 2 [Arabidopsis thaliana]" . . . . . 100.00 299 100.00 100.00 3.40e-36 . . . . 17950 1 5 no GB AAL76146 . "AT5g67580/K9I9_15 [Arabidopsis thaliana]" . . . . . 100.00 299 100.00 100.00 3.40e-36 . . . . 17950 1 6 no GB AAS10015 . "MYB transcription factor [Arabidopsis thaliana]" . . . . . 100.00 299 100.00 100.00 3.40e-36 . . . . 17950 1 7 no REF NP_201559 . "telomere repeat binding factor 2 [Arabidopsis thaliana]" . . . . . 100.00 299 100.00 100.00 3.40e-36 . . . . 17950 1 8 no REF NP_851286 . "telomere repeat binding factor 2 [Arabidopsis thaliana]" . . . . . 100.00 299 100.00 100.00 3.40e-36 . . . . 17950 1 9 no REF XP_002864993 . "ATTRB2/TRB2 [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 292 100.00 100.00 2.42e-36 . . . . 17950 1 10 no SP Q9FJW5 . "RecName: Full=Telomere repeat-binding factor 2; Short=AtTRB2; AltName: Full=MYB transcription factor; AltName: Full=Telomere-bi" . . . . . 100.00 299 100.00 100.00 3.40e-36 . . . . 17950 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 . MET . 17950 1 2 . GLY . 17950 1 3 . ALA . 17950 1 4 . PRO . 17950 1 5 . LYS . 17950 1 6 . GLN . 17950 1 7 . LYS . 17950 1 8 . TRP . 17950 1 9 . THR . 17950 1 10 . PRO . 17950 1 11 . GLU . 17950 1 12 . GLU . 17950 1 13 . GLU . 17950 1 14 . ALA . 17950 1 15 . ALA . 17950 1 16 . LEU . 17950 1 17 . LYS . 17950 1 18 . ALA . 17950 1 19 . GLY . 17950 1 20 . VAL . 17950 1 21 . LEU . 17950 1 22 . LYS . 17950 1 23 . HIS . 17950 1 24 . GLY . 17950 1 25 . THR . 17950 1 26 . GLY . 17950 1 27 . LYS . 17950 1 28 . TRP . 17950 1 29 . ARG . 17950 1 30 . THR . 17950 1 31 . ILE . 17950 1 32 . LEU . 17950 1 33 . SER . 17950 1 34 . ASP . 17950 1 35 . THR . 17950 1 36 . GLU . 17950 1 37 . PHE . 17950 1 38 . SER . 17950 1 39 . LEU . 17950 1 40 . ILE . 17950 1 41 . LEU . 17950 1 42 . LYS . 17950 1 43 . SER . 17950 1 44 . ARG . 17950 1 45 . SER . 17950 1 46 . ASN . 17950 1 47 . VAL . 17950 1 48 . ASP . 17950 1 49 . LEU . 17950 1 50 . LYS . 17950 1 51 . ASP . 17950 1 52 . LYS . 17950 1 53 . TRP . 17950 1 54 . ARG . 17950 1 55 . ASN . 17950 1 56 . ILE . 17950 1 57 . SER . 17950 1 58 . VAL . 17950 1 59 . THR . 17950 1 60 . ALA . 17950 1 61 . LEU . 17950 1 62 . TRP . 17950 1 63 . GLY . 17950 1 64 . SER . 17950 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 . MET 1 1 17950 1 . GLY 2 2 17950 1 . ALA 3 3 17950 1 . PRO 4 4 17950 1 . LYS 5 5 17950 1 . GLN 6 6 17950 1 . LYS 7 7 17950 1 . TRP 8 8 17950 1 . THR 9 9 17950 1 . PRO 10 10 17950 1 . GLU 11 11 17950 1 . GLU 12 12 17950 1 . GLU 13 13 17950 1 . ALA 14 14 17950 1 . ALA 15 15 17950 1 . LEU 16 16 17950 1 . LYS 17 17 17950 1 . ALA 18 18 17950 1 . GLY 19 19 17950 1 . VAL 20 20 17950 1 . LEU 21 21 17950 1 . LYS 22 22 17950 1 . HIS 23 23 17950 1 . GLY 24 24 17950 1 . THR 25 25 17950 1 . GLY 26 26 17950 1 . LYS 27 27 17950 1 . TRP 28 28 17950 1 . ARG 29 29 17950 1 . THR 30 30 17950 1 . ILE 31 31 17950 1 . LEU 32 32 17950 1 . SER 33 33 17950 1 . ASP 34 34 17950 1 . THR 35 35 17950 1 . GLU 36 36 17950 1 . PHE 37 37 17950 1 . SER 38 38 17950 1 . LEU 39 39 17950 1 . ILE 40 40 17950 1 . LEU 41 41 17950 1 . LYS 42 42 17950 1 . SER 43 43 17950 1 . ARG 44 44 17950 1 . SER 45 45 17950 1 . ASN 46 46 17950 1 . VAL 47 47 17950 1 . ASP 48 48 17950 1 . LEU 49 49 17950 1 . LYS 50 50 17950 1 . ASP 51 51 17950 1 . LYS 52 52 17950 1 . TRP 53 53 17950 1 . ARG 54 54 17950 1 . ASN 55 55 17950 1 . ILE 56 56 17950 1 . SER 57 57 17950 1 . VAL 58 58 17950 1 . THR 59 59 17950 1 . ALA 60 60 17950 1 . LEU 61 61 17950 1 . TRP 62 62 17950 1 . GLY 63 63 17950 1 . SER 64 64 17950 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 17950 _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 $AtTRB2 . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . . . . . . 17950 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 17950 _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 $AtTRB2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET15b . . . . . . 17950 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_DNA_binding_domain_of_AtTRB2 _Sample.Sf_category sample _Sample.Sf_framecode DNA_binding_domain_of_AtTRB2 _Sample.Entry_ID 17950 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 AtTRB2 '[U-13C; U-15N]' . . 1 $AtTRB2 . . 1 . . mM . . . . 17950 1 2 HEPES 'natural abundance' . . . . . . 10 . . mM . . . . 17950 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 17950 1 4 'sodium azide' 'natural abundance' . . . . . . 1.5 . . mM . . . . 17950 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17950 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17950 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17950 _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 'ionic strength' 100 . mM 17950 1 pH 7.0 . pH 17950 1 pressure 1 . atm 17950 1 temperature 298 . K 17950 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17950 _Software.ID 1 _Software.Name CYANA _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 17950 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17950 1 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17950 1 Goddard . . 17950 1 'Guntert, Mumenthaler and Wuthrich' . . 17950 1 'Guntert, Mumenthaler and Wuthrich' . . 17950 1 'Koradi, Billeter and Wuthrich' . . 17950 1 'Zimmerman, Moseley, Kulikowski and Montelione' . . 17950 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17950 1 'data analysis' 17950 1 'data analysis' 17950 1 'data analysis' 17950 1 'peak picking' 17950 1 processing 17950 1 refinement 17950 1 'structure solution' 17950 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17950 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 17950 _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 Bruker DRX . 500 . . . 17950 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 17950 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $DNA_binding_domain_of_AtTRB2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17950 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $DNA_binding_domain_of_AtTRB2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17950 1 3 '3D HNCACB' no . . . . . . . . . . 1 $DNA_binding_domain_of_AtTRB2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17950 1 4 '3D HNCA' no . . . . . . . . . . 1 $DNA_binding_domain_of_AtTRB2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17950 1 5 '3D HNCO' no . . . . . . . . . . 1 $DNA_binding_domain_of_AtTRB2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17950 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $DNA_binding_domain_of_AtTRB2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17950 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $DNA_binding_domain_of_AtTRB2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17950 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $DNA_binding_domain_of_AtTRB2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17950 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $DNA_binding_domain_of_AtTRB2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17950 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17950 _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 0.00 na indirect 0.251449530 . . . . . . . . . 17950 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17950 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17950 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17950 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 17950 1 2 '3D CBCA(CO)NH' . . . 17950 1 3 '3D HNCACB' . . . 17950 1 4 '3D HNCA' . . . 17950 1 5 '3D HNCO' . . . 17950 1 6 '3D HBHA(CO)NH' . . . 17950 1 7 '3D HCCH-TOCSY' . . . 17950 1 8 '3D 1H-15N NOESY' . . . 17950 1 9 '3D 1H-13C NOESY' . . . 17950 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 MET HA H 1 4.415 0.020 . . . . . A 1 MET HA . 17950 1 2 . 1 1 1 1 MET HB2 H 1 2.009 0.020 . . . . . A 1 MET HB2 . 17950 1 3 . 1 1 1 1 MET HB3 H 1 1.941 0.020 . . . . . A 1 MET HB3 . 17950 1 4 . 1 1 1 1 MET HG2 H 1 2.521 0.020 . . . . . A 1 MET HG2 . 17950 1 5 . 1 1 1 1 MET HG3 H 1 2.462 0.020 . . . . . A 1 MET HG3 . 17950 1 6 . 1 1 1 1 MET H H 1 8.452 0.020 . . . . . A 1 MET H1 . 17950 1 7 . 1 1 1 1 MET C C 13 176.579 0.400 . . . . . A 1 MET C . 17950 1 8 . 1 1 1 1 MET CA C 13 55.637 0.400 . . . . . A 1 MET CA . 17950 1 9 . 1 1 1 1 MET CB C 13 32.598 0.400 . . . . . A 1 MET CB . 17950 1 10 . 1 1 1 1 MET CG C 13 31.880 0.400 . . . . . A 1 MET CG . 17950 1 11 . 1 1 1 1 MET N N 15 123.266 0.400 . . . . . A 1 MET N . 17950 1 12 . 1 1 2 2 GLY H H 1 8.335 0.020 . . . . . A 2 GLY H . 17950 1 13 . 1 1 2 2 GLY HA2 H 1 3.847 0.020 . . . . . A 2 GLY HA2 . 17950 1 14 . 1 1 2 2 GLY HA3 H 1 3.847 0.020 . . . . . A 2 GLY HA3 . 17950 1 15 . 1 1 2 2 GLY C C 13 173.237 0.400 . . . . . A 2 GLY C . 17950 1 16 . 1 1 2 2 GLY CA C 13 44.918 0.400 . . . . . A 2 GLY CA . 17950 1 17 . 1 1 2 2 GLY N N 15 110.542 0.400 . . . . . A 2 GLY N . 17950 1 18 . 1 1 3 3 ALA H H 1 8.069 0.020 . . . . . A 3 ALA H . 17950 1 19 . 1 1 3 3 ALA HA H 1 4.513 0.020 . . . . . A 3 ALA HA . 17950 1 20 . 1 1 3 3 ALA HB1 H 1 1.255 0.020 . . . . . A 3 ALA HB1 . 17950 1 21 . 1 1 3 3 ALA HB2 H 1 1.255 0.020 . . . . . A 3 ALA HB2 . 17950 1 22 . 1 1 3 3 ALA HB3 H 1 1.255 0.020 . . . . . A 3 ALA HB3 . 17950 1 23 . 1 1 3 3 ALA CA C 13 50.370 0.400 . . . . . A 3 ALA CA . 17950 1 24 . 1 1 3 3 ALA CB C 13 18.052 0.400 . . . . . A 3 ALA CB . 17950 1 25 . 1 1 3 3 ALA N N 15 124.917 0.400 . . . . . A 3 ALA N . 17950 1 26 . 1 1 4 4 PRO HA H 1 4.341 0.020 . . . . . A 4 PRO HA . 17950 1 27 . 1 1 4 4 PRO HB2 H 1 1.800 0.020 . . . . . A 4 PRO HB2 . 17950 1 28 . 1 1 4 4 PRO HB3 H 1 2.213 0.020 . . . . . A 4 PRO HB3 . 17950 1 29 . 1 1 4 4 PRO HG2 H 1 1.938 0.020 . . . . . A 4 PRO HG2 . 17950 1 30 . 1 1 4 4 PRO HG3 H 1 1.938 0.020 . . . . . A 4 PRO HG3 . 17950 1 31 . 1 1 4 4 PRO HD2 H 1 3.710 0.020 . . . . . A 4 PRO HD2 . 17950 1 32 . 1 1 4 4 PRO HD3 H 1 3.548 0.020 . . . . . A 4 PRO HD3 . 17950 1 33 . 1 1 4 4 PRO C C 13 177.068 0.400 . . . . . A 4 PRO C . 17950 1 34 . 1 1 4 4 PRO CA C 13 63.007 0.400 . . . . . A 4 PRO CA . 17950 1 35 . 1 1 4 4 PRO CB C 13 32.015 0.400 . . . . . A 4 PRO CB . 17950 1 36 . 1 1 4 4 PRO CG C 13 27.370 0.400 . . . . . A 4 PRO CG . 17950 1 37 . 1 1 4 4 PRO CD C 13 50.393 0.400 . . . . . A 4 PRO CD . 17950 1 38 . 1 1 5 5 LYS H H 1 8.376 0.020 . . . . . A 5 LYS H . 17950 1 39 . 1 1 5 5 LYS HA H 1 4.180 0.020 . . . . . A 5 LYS HA . 17950 1 40 . 1 1 5 5 LYS HB2 H 1 1.709 0.020 . . . . . A 5 LYS HB2 . 17950 1 41 . 1 1 5 5 LYS HB3 H 1 1.694 0.020 . . . . . A 5 LYS HB3 . 17950 1 42 . 1 1 5 5 LYS HG2 H 1 1.383 0.020 . . . . . A 5 LYS HG2 . 17950 1 43 . 1 1 5 5 LYS HG3 H 1 1.383 0.020 . . . . . A 5 LYS HG3 . 17950 1 44 . 1 1 5 5 LYS HD2 H 1 1.643 0.020 . . . . . A 5 LYS HD2 . 17950 1 45 . 1 1 5 5 LYS HD3 H 1 1.627 0.020 . . . . . A 5 LYS HD3 . 17950 1 46 . 1 1 5 5 LYS HE2 H 1 2.934 0.020 . . . . . A 5 LYS HE2 . 17950 1 47 . 1 1 5 5 LYS HE3 H 1 2.934 0.020 . . . . . A 5 LYS HE3 . 17950 1 48 . 1 1 5 5 LYS C C 13 176.697 0.400 . . . . . A 5 LYS C . 17950 1 49 . 1 1 5 5 LYS CA C 13 56.140 0.400 . . . . . A 5 LYS CA . 17950 1 50 . 1 1 5 5 LYS CB C 13 32.871 0.400 . . . . . A 5 LYS CB . 17950 1 51 . 1 1 5 5 LYS CG C 13 24.870 0.400 . . . . . A 5 LYS CG . 17950 1 52 . 1 1 5 5 LYS CD C 13 29.203 0.400 . . . . . A 5 LYS CD . 17950 1 53 . 1 1 5 5 LYS CE C 13 41.931 0.400 . . . . . A 5 LYS CE . 17950 1 54 . 1 1 5 5 LYS N N 15 121.494 0.400 . . . . . A 5 LYS N . 17950 1 55 . 1 1 6 6 GLN H H 1 8.438 0.020 . . . . . A 6 GLN H . 17950 1 56 . 1 1 6 6 GLN HA H 1 4.230 0.020 . . . . . A 6 GLN HA . 17950 1 57 . 1 1 6 6 GLN HB2 H 1 1.954 0.020 . . . . . A 6 GLN HB2 . 17950 1 58 . 1 1 6 6 GLN HB3 H 1 1.863 0.020 . . . . . A 6 GLN HB3 . 17950 1 59 . 1 1 6 6 GLN HG2 H 1 2.289 0.020 . . . . . A 6 GLN HG2 . 17950 1 60 . 1 1 6 6 GLN HG3 H 1 2.289 0.020 . . . . . A 6 GLN HG3 . 17950 1 61 . 1 1 6 6 GLN C C 13 176.847 0.400 . . . . . A 6 GLN C . 17950 1 62 . 1 1 6 6 GLN CA C 13 55.634 0.400 . . . . . A 6 GLN CA . 17950 1 63 . 1 1 6 6 GLN CB C 13 29.290 0.400 . . . . . A 6 GLN CB . 17950 1 64 . 1 1 6 6 GLN CG C 13 33.590 0.400 . . . . . A 6 GLN CG . 17950 1 65 . 1 1 6 6 GLN N N 15 121.572 0.400 . . . . . A 6 GLN N . 17950 1 66 . 1 1 7 7 LYS H H 1 8.500 0.020 . . . . . A 7 LYS H . 17950 1 67 . 1 1 7 7 LYS HA H 1 4.259 0.020 . . . . . A 7 LYS HA . 17950 1 68 . 1 1 7 7 LYS HB2 H 1 1.768 0.020 . . . . . A 7 LYS HB2 . 17950 1 69 . 1 1 7 7 LYS HB3 H 1 1.763 0.020 . . . . . A 7 LYS HB3 . 17950 1 70 . 1 1 7 7 LYS HG2 H 1 1.429 0.020 . . . . . A 7 LYS HG2 . 17950 1 71 . 1 1 7 7 LYS HG3 H 1 1.429 0.020 . . . . . A 7 LYS HG3 . 17950 1 72 . 1 1 7 7 LYS HD2 H 1 1.655 0.020 . . . . . A 7 LYS HD2 . 17950 1 73 . 1 1 7 7 LYS HD3 H 1 1.655 0.020 . . . . . A 7 LYS HD3 . 17950 1 74 . 1 1 7 7 LYS HE2 H 1 2.929 0.020 . . . . . A 7 LYS HE2 . 17950 1 75 . 1 1 7 7 LYS HE3 H 1 2.929 0.020 . . . . . A 7 LYS HE3 . 17950 1 76 . 1 1 7 7 LYS C C 13 176.770 0.400 . . . . . A 7 LYS C . 17950 1 77 . 1 1 7 7 LYS CA C 13 56.899 0.400 . . . . . A 7 LYS CA . 17950 1 78 . 1 1 7 7 LYS CB C 13 32.782 0.400 . . . . . A 7 LYS CB . 17950 1 79 . 1 1 7 7 LYS CG C 13 24.727 0.400 . . . . . A 7 LYS CG . 17950 1 80 . 1 1 7 7 LYS CD C 13 29.085 0.400 . . . . . A 7 LYS CD . 17950 1 81 . 1 1 7 7 LYS CE C 13 41.869 0.400 . . . . . A 7 LYS CE . 17950 1 82 . 1 1 7 7 LYS N N 15 125.757 0.400 . . . . . A 7 LYS N . 17950 1 83 . 1 1 8 8 TRP H H 1 8.959 0.020 . . . . . A 8 TRP H . 17950 1 84 . 1 1 8 8 TRP HA H 1 4.504 0.020 . . . . . A 8 TRP HA . 17950 1 85 . 1 1 8 8 TRP HB2 H 1 3.188 0.020 . . . . . A 8 TRP HB2 . 17950 1 86 . 1 1 8 8 TRP HB3 H 1 2.970 0.020 . . . . . A 8 TRP HB3 . 17950 1 87 . 1 1 8 8 TRP HE1 H 1 10.165 0.020 . . . . . A 8 TRP HE1 . 17950 1 88 . 1 1 8 8 TRP C C 13 177.459 0.400 . . . . . A 8 TRP C . 17950 1 89 . 1 1 8 8 TRP CA C 13 57.777 0.400 . . . . . A 8 TRP CA . 17950 1 90 . 1 1 8 8 TRP CB C 13 28.836 0.400 . . . . . A 8 TRP CB . 17950 1 91 . 1 1 8 8 TRP N N 15 125.581 0.400 . . . . . A 8 TRP N . 17950 1 92 . 1 1 8 8 TRP NE1 N 15 128.843 0.400 . . . . . A 8 TRP NE1 . 17950 1 93 . 1 1 9 9 THR H H 1 9.105 0.020 . . . . . A 9 THR H . 17950 1 94 . 1 1 9 9 THR HA H 1 4.759 0.020 . . . . . A 9 THR HA . 17950 1 95 . 1 1 9 9 THR HB H 1 4.785 0.020 . . . . . A 9 THR HB . 17950 1 96 . 1 1 9 9 THR HG21 H 1 1.282 0.020 . . . . . A 9 THR HG21 . 17950 1 97 . 1 1 9 9 THR HG22 H 1 1.282 0.020 . . . . . A 9 THR HG22 . 17950 1 98 . 1 1 9 9 THR HG23 H 1 1.282 0.020 . . . . . A 9 THR HG23 . 17950 1 99 . 1 1 9 9 THR CA C 13 59.565 0.400 . . . . . A 9 THR CA . 17950 1 100 . 1 1 9 9 THR CB C 13 68.786 0.400 . . . . . A 9 THR CB . 17950 1 101 . 1 1 9 9 THR CG2 C 13 22.006 0.400 . . . . . A 9 THR CG2 . 17950 1 102 . 1 1 9 9 THR N N 15 115.986 0.400 . . . . . A 9 THR N . 17950 1 103 . 1 1 10 10 PRO HA H 1 4.369 0.020 . . . . . A 10 PRO HA . 17950 1 104 . 1 1 10 10 PRO HB2 H 1 1.894 0.020 . . . . . A 10 PRO HB2 . 17950 1 105 . 1 1 10 10 PRO HB3 H 1 2.377 0.020 . . . . . A 10 PRO HB3 . 17950 1 106 . 1 1 10 10 PRO HG2 H 1 2.190 0.020 . . . . . A 10 PRO HG2 . 17950 1 107 . 1 1 10 10 PRO HG3 H 1 2.018 0.020 . . . . . A 10 PRO HG3 . 17950 1 108 . 1 1 10 10 PRO HD2 H 1 3.924 0.020 . . . . . A 10 PRO HD2 . 17950 1 109 . 1 1 10 10 PRO HD3 H 1 3.903 0.020 . . . . . A 10 PRO HD3 . 17950 1 110 . 1 1 10 10 PRO C C 13 180.115 0.400 . . . . . A 10 PRO C . 17950 1 111 . 1 1 10 10 PRO CA C 13 65.387 0.400 . . . . . A 10 PRO CA . 17950 1 112 . 1 1 10 10 PRO CB C 13 31.739 0.400 . . . . . A 10 PRO CB . 17950 1 113 . 1 1 10 10 PRO CG C 13 28.071 0.400 . . . . . A 10 PRO CG . 17950 1 114 . 1 1 10 10 PRO CD C 13 50.551 0.400 . . . . . A 10 PRO CD . 17950 1 115 . 1 1 11 11 GLU H H 1 9.009 0.020 . . . . . A 11 GLU H . 17950 1 116 . 1 1 11 11 GLU HA H 1 4.065 0.020 . . . . . A 11 GLU HA . 17950 1 117 . 1 1 11 11 GLU HB2 H 1 2.117 0.020 . . . . . A 11 GLU HB2 . 17950 1 118 . 1 1 11 11 GLU HB3 H 1 1.877 0.020 . . . . . A 11 GLU HB3 . 17950 1 119 . 1 1 11 11 GLU HG2 H 1 2.457 0.020 . . . . . A 11 GLU HG2 . 17950 1 120 . 1 1 11 11 GLU HG3 H 1 2.222 0.020 . . . . . A 11 GLU HG3 . 17950 1 121 . 1 1 11 11 GLU C C 13 180.122 0.400 . . . . . A 11 GLU C . 17950 1 122 . 1 1 11 11 GLU CA C 13 60.640 0.400 . . . . . A 11 GLU CA . 17950 1 123 . 1 1 11 11 GLU CB C 13 28.680 0.400 . . . . . A 11 GLU CB . 17950 1 124 . 1 1 11 11 GLU CG C 13 37.390 0.400 . . . . . A 11 GLU CG . 17950 1 125 . 1 1 11 11 GLU N N 15 118.329 0.400 . . . . . A 11 GLU N . 17950 1 126 . 1 1 12 12 GLU H H 1 7.952 0.020 . . . . . A 12 GLU H . 17950 1 127 . 1 1 12 12 GLU HA H 1 3.857 0.020 . . . . . A 12 GLU HA . 17950 1 128 . 1 1 12 12 GLU HB2 H 1 2.509 0.020 . . . . . A 12 GLU HB2 . 17950 1 129 . 1 1 12 12 GLU HB3 H 1 2.066 0.020 . . . . . A 12 GLU HB3 . 17950 1 130 . 1 1 12 12 GLU HG2 H 1 2.370 0.020 . . . . . A 12 GLU HG2 . 17950 1 131 . 1 1 12 12 GLU HG3 H 1 1.908 0.020 . . . . . A 12 GLU HG3 . 17950 1 132 . 1 1 12 12 GLU C C 13 179.021 0.400 . . . . . A 12 GLU C . 17950 1 133 . 1 1 12 12 GLU CA C 13 59.900 0.400 . . . . . A 12 GLU CA . 17950 1 134 . 1 1 12 12 GLU CB C 13 32.276 0.400 . . . . . A 12 GLU CB . 17950 1 135 . 1 1 12 12 GLU CG C 13 38.331 0.400 . . . . . A 12 GLU CG . 17950 1 136 . 1 1 12 12 GLU N N 15 121.178 0.400 . . . . . A 12 GLU N . 17950 1 137 . 1 1 13 13 GLU H H 1 8.446 0.020 . . . . . A 13 GLU H . 17950 1 138 . 1 1 13 13 GLU HA H 1 3.928 0.020 . . . . . A 13 GLU HA . 17950 1 139 . 1 1 13 13 GLU HB2 H 1 2.199 0.020 . . . . . A 13 GLU HB2 . 17950 1 140 . 1 1 13 13 GLU HB3 H 1 1.980 0.020 . . . . . A 13 GLU HB3 . 17950 1 141 . 1 1 13 13 GLU HG2 H 1 2.632 0.020 . . . . . A 13 GLU HG2 . 17950 1 142 . 1 1 13 13 GLU HG3 H 1 1.881 0.020 . . . . . A 13 GLU HG3 . 17950 1 143 . 1 1 13 13 GLU C C 13 178.499 0.400 . . . . . A 13 GLU C . 17950 1 144 . 1 1 13 13 GLU CA C 13 61.052 0.400 . . . . . A 13 GLU CA . 17950 1 145 . 1 1 13 13 GLU CB C 13 29.552 0.400 . . . . . A 13 GLU CB . 17950 1 146 . 1 1 13 13 GLU CG C 13 38.490 0.400 . . . . . A 13 GLU CG . 17950 1 147 . 1 1 13 13 GLU N N 15 118.771 0.400 . . . . . A 13 GLU N . 17950 1 148 . 1 1 14 14 ALA H H 1 8.434 0.020 . . . . . A 14 ALA H . 17950 1 149 . 1 1 14 14 ALA HA H 1 4.095 0.020 . . . . . A 14 ALA HA . 17950 1 150 . 1 1 14 14 ALA HB1 H 1 1.524 0.020 . . . . . A 14 ALA HB1 . 17950 1 151 . 1 1 14 14 ALA HB2 H 1 1.524 0.020 . . . . . A 14 ALA HB2 . 17950 1 152 . 1 1 14 14 ALA HB3 H 1 1.524 0.020 . . . . . A 14 ALA HB3 . 17950 1 153 . 1 1 14 14 ALA C C 13 180.719 0.400 . . . . . A 14 ALA C . 17950 1 154 . 1 1 14 14 ALA CA C 13 55.053 0.400 . . . . . A 14 ALA CA . 17950 1 155 . 1 1 14 14 ALA CB C 13 18.019 0.400 . . . . . A 14 ALA CB . 17950 1 156 . 1 1 14 14 ALA N N 15 120.274 0.400 . . . . . A 14 ALA N . 17950 1 157 . 1 1 15 15 ALA H H 1 7.900 0.020 . . . . . A 15 ALA H . 17950 1 158 . 1 1 15 15 ALA HA H 1 4.381 0.020 . . . . . A 15 ALA HA . 17950 1 159 . 1 1 15 15 ALA HB1 H 1 1.642 0.020 . . . . . A 15 ALA HB1 . 17950 1 160 . 1 1 15 15 ALA HB2 H 1 1.642 0.020 . . . . . A 15 ALA HB2 . 17950 1 161 . 1 1 15 15 ALA HB3 H 1 1.642 0.020 . . . . . A 15 ALA HB3 . 17950 1 162 . 1 1 15 15 ALA C C 13 178.553 0.400 . . . . . A 15 ALA C . 17950 1 163 . 1 1 15 15 ALA CA C 13 54.786 0.400 . . . . . A 15 ALA CA . 17950 1 164 . 1 1 15 15 ALA CB C 13 18.779 0.400 . . . . . A 15 ALA CB . 17950 1 165 . 1 1 15 15 ALA N N 15 122.356 0.400 . . . . . A 15 ALA N . 17950 1 166 . 1 1 16 16 LEU H H 1 8.182 0.020 . . . . . A 16 LEU H . 17950 1 167 . 1 1 16 16 LEU HA H 1 3.921 0.020 . . . . . A 16 LEU HA . 17950 1 168 . 1 1 16 16 LEU HB2 H 1 2.313 0.020 . . . . . A 16 LEU HB2 . 17950 1 169 . 1 1 16 16 LEU HB3 H 1 1.658 0.020 . . . . . A 16 LEU HB3 . 17950 1 170 . 1 1 16 16 LEU HG H 1 1.767 0.020 . . . . . A 16 LEU HG . 17950 1 171 . 1 1 16 16 LEU HD11 H 1 0.901 0.020 . . . . . A 16 LEU HD11 . 17950 1 172 . 1 1 16 16 LEU HD12 H 1 0.901 0.020 . . . . . A 16 LEU HD12 . 17950 1 173 . 1 1 16 16 LEU HD13 H 1 0.901 0.020 . . . . . A 16 LEU HD13 . 17950 1 174 . 1 1 16 16 LEU HD21 H 1 1.103 0.020 . . . . . A 16 LEU HD21 . 17950 1 175 . 1 1 16 16 LEU HD22 H 1 1.103 0.020 . . . . . A 16 LEU HD22 . 17950 1 176 . 1 1 16 16 LEU HD23 H 1 1.103 0.020 . . . . . A 16 LEU HD23 . 17950 1 177 . 1 1 16 16 LEU C C 13 177.536 0.400 . . . . . A 16 LEU C . 17950 1 178 . 1 1 16 16 LEU CA C 13 58.384 0.400 . . . . . A 16 LEU CA . 17950 1 179 . 1 1 16 16 LEU CB C 13 42.189 0.400 . . . . . A 16 LEU CB . 17950 1 180 . 1 1 16 16 LEU CG C 13 27.387 0.400 . . . . . A 16 LEU CG . 17950 1 181 . 1 1 16 16 LEU CD1 C 13 27.325 0.400 . . . . . A 16 LEU CD1 . 17950 1 182 . 1 1 16 16 LEU CD2 C 13 24.334 0.400 . . . . . A 16 LEU CD2 . 17950 1 183 . 1 1 16 16 LEU N N 15 118.626 0.400 . . . . . A 16 LEU N . 17950 1 184 . 1 1 17 17 LYS H H 1 8.029 0.020 . . . . . A 17 LYS H . 17950 1 185 . 1 1 17 17 LYS HA H 1 3.906 0.020 . . . . . A 17 LYS HA . 17950 1 186 . 1 1 17 17 LYS HB2 H 1 1.948 0.020 . . . . . A 17 LYS HB2 . 17950 1 187 . 1 1 17 17 LYS HB3 H 1 1.893 0.020 . . . . . A 17 LYS HB3 . 17950 1 188 . 1 1 17 17 LYS HG2 H 1 1.669 0.020 . . . . . A 17 LYS HG2 . 17950 1 189 . 1 1 17 17 LYS HG3 H 1 1.471 0.020 . . . . . A 17 LYS HG3 . 17950 1 190 . 1 1 17 17 LYS HD2 H 1 1.663 0.020 . . . . . A 17 LYS HD2 . 17950 1 191 . 1 1 17 17 LYS HD3 H 1 1.663 0.020 . . . . . A 17 LYS HD3 . 17950 1 192 . 1 1 17 17 LYS C C 13 178.796 0.400 . . . . . A 17 LYS C . 17950 1 193 . 1 1 17 17 LYS CA C 13 60.496 0.400 . . . . . A 17 LYS CA . 17950 1 194 . 1 1 17 17 LYS CB C 13 32.720 0.400 . . . . . A 17 LYS CB . 17950 1 195 . 1 1 17 17 LYS CG C 13 26.309 0.400 . . . . . A 17 LYS CG . 17950 1 196 . 1 1 17 17 LYS CD C 13 29.803 0.400 . . . . . A 17 LYS CD . 17950 1 197 . 1 1 17 17 LYS N N 15 117.009 0.400 . . . . . A 17 LYS N . 17950 1 198 . 1 1 18 18 ALA H H 1 8.174 0.020 . . . . . A 18 ALA H . 17950 1 199 . 1 1 18 18 ALA HA H 1 4.021 0.020 . . . . . A 18 ALA HA . 17950 1 200 . 1 1 18 18 ALA HB1 H 1 1.560 0.020 . . . . . A 18 ALA HB1 . 17950 1 201 . 1 1 18 18 ALA HB2 H 1 1.560 0.020 . . . . . A 18 ALA HB2 . 17950 1 202 . 1 1 18 18 ALA HB3 H 1 1.560 0.020 . . . . . A 18 ALA HB3 . 17950 1 203 . 1 1 18 18 ALA C C 13 180.627 0.400 . . . . . A 18 ALA C . 17950 1 204 . 1 1 18 18 ALA CA C 13 54.752 0.400 . . . . . A 18 ALA CA . 17950 1 205 . 1 1 18 18 ALA CB C 13 18.405 0.400 . . . . . A 18 ALA CB . 17950 1 206 . 1 1 18 18 ALA N N 15 121.422 0.400 . . . . . A 18 ALA N . 17950 1 207 . 1 1 19 19 GLY H H 1 8.503 0.020 . . . . . A 19 GLY H . 17950 1 208 . 1 1 19 19 GLY HA2 H 1 3.132 0.020 . . . . . A 19 GLY HA2 . 17950 1 209 . 1 1 19 19 GLY HA3 H 1 2.763 0.020 . . . . . A 19 GLY HA3 . 17950 1 210 . 1 1 19 19 GLY C C 13 174.803 0.400 . . . . . A 19 GLY C . 17950 1 211 . 1 1 19 19 GLY CA C 13 47.190 0.400 . . . . . A 19 GLY CA . 17950 1 212 . 1 1 19 19 GLY N N 15 110.862 0.400 . . . . . A 19 GLY N . 17950 1 213 . 1 1 20 20 VAL H H 1 8.106 0.020 . . . . . A 20 VAL H . 17950 1 214 . 1 1 20 20 VAL HA H 1 3.166 0.020 . . . . . A 20 VAL HA . 17950 1 215 . 1 1 20 20 VAL HB H 1 1.384 0.020 . . . . . A 20 VAL HB . 17950 1 216 . 1 1 20 20 VAL HG11 H 1 -0.072 0.020 . . . . . A 20 VAL HG11 . 17950 1 217 . 1 1 20 20 VAL HG12 H 1 -0.072 0.020 . . . . . A 20 VAL HG12 . 17950 1 218 . 1 1 20 20 VAL HG13 H 1 -0.072 0.020 . . . . . A 20 VAL HG13 . 17950 1 219 . 1 1 20 20 VAL HG21 H 1 0.135 0.020 . . . . . A 20 VAL HG21 . 17950 1 220 . 1 1 20 20 VAL HG22 H 1 0.135 0.020 . . . . . A 20 VAL HG22 . 17950 1 221 . 1 1 20 20 VAL HG23 H 1 0.135 0.020 . . . . . A 20 VAL HG23 . 17950 1 222 . 1 1 20 20 VAL C C 13 179.632 0.400 . . . . . A 20 VAL C . 17950 1 223 . 1 1 20 20 VAL CA C 13 65.603 0.400 . . . . . A 20 VAL CA . 17950 1 224 . 1 1 20 20 VAL CB C 13 30.946 0.400 . . . . . A 20 VAL CB . 17950 1 225 . 1 1 20 20 VAL CG1 C 13 23.038 0.400 . . . . . A 20 VAL CG1 . 17950 1 226 . 1 1 20 20 VAL CG2 C 13 20.911 0.400 . . . . . A 20 VAL CG2 . 17950 1 227 . 1 1 20 20 VAL N N 15 123.677 0.400 . . . . . A 20 VAL N . 17950 1 228 . 1 1 21 21 LEU H H 1 7.817 0.020 . . . . . A 21 LEU H . 17950 1 229 . 1 1 21 21 LEU HA H 1 3.894 0.020 . . . . . A 21 LEU HA . 17950 1 230 . 1 1 21 21 LEU HB2 H 1 1.655 0.020 . . . . . A 21 LEU HB2 . 17950 1 231 . 1 1 21 21 LEU HB3 H 1 1.528 0.020 . . . . . A 21 LEU HB3 . 17950 1 232 . 1 1 21 21 LEU HG H 1 1.121 0.020 . . . . . A 21 LEU HG . 17950 1 233 . 1 1 21 21 LEU HD11 H 1 0.805 0.020 . . . . . A 21 LEU HD11 . 17950 1 234 . 1 1 21 21 LEU HD12 H 1 0.805 0.020 . . . . . A 21 LEU HD12 . 17950 1 235 . 1 1 21 21 LEU HD13 H 1 0.805 0.020 . . . . . A 21 LEU HD13 . 17950 1 236 . 1 1 21 21 LEU C C 13 178.085 0.400 . . . . . A 21 LEU C . 17950 1 237 . 1 1 21 21 LEU CA C 13 58.028 0.400 . . . . . A 21 LEU CA . 17950 1 238 . 1 1 21 21 LEU CB C 13 41.401 0.400 . . . . . A 21 LEU CB . 17950 1 239 . 1 1 21 21 LEU CG C 13 26.178 0.400 . . . . . A 21 LEU CG . 17950 1 240 . 1 1 21 21 LEU CD1 C 13 24.300 0.400 . . . . . A 21 LEU CD1 . 17950 1 241 . 1 1 21 21 LEU N N 15 122.348 0.400 . . . . . A 21 LEU N . 17950 1 242 . 1 1 22 22 LYS H H 1 7.520 0.020 . . . . . A 22 LYS H . 17950 1 243 . 1 1 22 22 LYS HA H 1 3.837 0.020 . . . . . A 22 LYS HA . 17950 1 244 . 1 1 22 22 LYS HB2 H 1 1.769 0.020 . . . . . A 22 LYS HB2 . 17950 1 245 . 1 1 22 22 LYS HB3 H 1 1.532 0.020 . . . . . A 22 LYS HB3 . 17950 1 246 . 1 1 22 22 LYS HG2 H 1 1.093 0.020 . . . . . A 22 LYS HG2 . 17950 1 247 . 1 1 22 22 LYS HG3 H 1 1.093 0.020 . . . . . A 22 LYS HG3 . 17950 1 248 . 1 1 22 22 LYS HD2 H 1 2.136 0.020 . . . . . A 22 LYS HD2 . 17950 1 249 . 1 1 22 22 LYS HD3 H 1 2.136 0.020 . . . . . A 22 LYS HD3 . 17950 1 250 . 1 1 22 22 LYS C C 13 177.740 0.400 . . . . . A 22 LYS C . 17950 1 251 . 1 1 22 22 LYS CA C 13 59.206 0.400 . . . . . A 22 LYS CA . 17950 1 252 . 1 1 22 22 LYS CB C 13 35.176 0.400 . . . . . A 22 LYS CB . 17950 1 253 . 1 1 22 22 LYS CG C 13 24.647 0.400 . . . . . A 22 LYS CG . 17950 1 254 . 1 1 22 22 LYS CD C 13 29.541 0.400 . . . . . A 22 LYS CD . 17950 1 255 . 1 1 22 22 LYS N N 15 117.663 0.400 . . . . . A 22 LYS N . 17950 1 256 . 1 1 23 23 HIS H H 1 8.311 0.020 . . . . . A 23 HIS H . 17950 1 257 . 1 1 23 23 HIS HA H 1 4.625 0.020 . . . . . A 23 HIS HA . 17950 1 258 . 1 1 23 23 HIS HB2 H 1 2.768 0.020 . . . . . A 23 HIS HB2 . 17950 1 259 . 1 1 23 23 HIS HB3 H 1 2.606 0.020 . . . . . A 23 HIS HB3 . 17950 1 260 . 1 1 23 23 HIS C C 13 176.122 0.400 . . . . . A 23 HIS C . 17950 1 261 . 1 1 23 23 HIS CA C 13 57.211 0.400 . . . . . A 23 HIS CA . 17950 1 262 . 1 1 23 23 HIS CB C 13 33.414 0.400 . . . . . A 23 HIS CB . 17950 1 263 . 1 1 23 23 HIS N N 15 113.904 0.400 . . . . . A 23 HIS N . 17950 1 264 . 1 1 24 24 GLY H H 1 8.158 0.020 . . . . . A 24 GLY H . 17950 1 265 . 1 1 24 24 GLY HA2 H 1 4.223 0.020 . . . . . A 24 GLY HA2 . 17950 1 266 . 1 1 24 24 GLY HA3 H 1 3.645 0.020 . . . . . A 24 GLY HA3 . 17950 1 267 . 1 1 24 24 GLY C C 13 173.041 0.400 . . . . . A 24 GLY C . 17950 1 268 . 1 1 24 24 GLY CA C 13 43.563 0.400 . . . . . A 24 GLY CA . 17950 1 269 . 1 1 24 24 GLY N N 15 110.098 0.400 . . . . . A 24 GLY N . 17950 1 270 . 1 1 25 25 THR H H 1 7.826 0.020 . . . . . A 25 THR H . 17950 1 271 . 1 1 25 25 THR HA H 1 3.123 0.020 . . . . . A 25 THR HA . 17950 1 272 . 1 1 25 25 THR HB H 1 4.049 0.020 . . . . . A 25 THR HB . 17950 1 273 . 1 1 25 25 THR HG21 H 1 0.981 0.020 . . . . . A 25 THR HG21 . 17950 1 274 . 1 1 25 25 THR HG22 H 1 0.981 0.020 . . . . . A 25 THR HG22 . 17950 1 275 . 1 1 25 25 THR HG23 H 1 0.981 0.020 . . . . . A 25 THR HG23 . 17950 1 276 . 1 1 25 25 THR C C 13 174.866 0.400 . . . . . A 25 THR C . 17950 1 277 . 1 1 25 25 THR CA C 13 61.992 0.400 . . . . . A 25 THR CA . 17950 1 278 . 1 1 25 25 THR CB C 13 69.110 0.400 . . . . . A 25 THR CB . 17950 1 279 . 1 1 25 25 THR CG2 C 13 22.277 0.400 . . . . . A 25 THR CG2 . 17950 1 280 . 1 1 25 25 THR N N 15 108.590 0.400 . . . . . A 25 THR N . 17950 1 281 . 1 1 26 26 GLY H H 1 5.553 0.020 . . . . . A 26 GLY H . 17950 1 282 . 1 1 26 26 GLY HA2 H 1 3.836 0.020 . . . . . A 26 GLY HA2 . 17950 1 283 . 1 1 26 26 GLY HA3 H 1 3.264 0.020 . . . . . A 26 GLY HA3 . 17950 1 284 . 1 1 26 26 GLY C C 13 173.988 0.400 . . . . . A 26 GLY C . 17950 1 285 . 1 1 26 26 GLY CA C 13 45.639 0.400 . . . . . A 26 GLY CA . 17950 1 286 . 1 1 26 26 GLY N N 15 106.794 0.400 . . . . . A 26 GLY N . 17950 1 287 . 1 1 27 27 LYS H H 1 7.025 0.020 . . . . . A 27 LYS H . 17950 1 288 . 1 1 27 27 LYS HA H 1 4.499 0.020 . . . . . A 27 LYS HA . 17950 1 289 . 1 1 27 27 LYS HB2 H 1 1.511 0.020 . . . . . A 27 LYS HB2 . 17950 1 290 . 1 1 27 27 LYS HB3 H 1 1.065 0.020 . . . . . A 27 LYS HB3 . 17950 1 291 . 1 1 27 27 LYS HG2 H 1 1.175 0.020 . . . . . A 27 LYS HG2 . 17950 1 292 . 1 1 27 27 LYS HG3 H 1 0.855 0.020 . . . . . A 27 LYS HG3 . 17950 1 293 . 1 1 27 27 LYS HD2 H 1 1.452 0.020 . . . . . A 27 LYS HD2 . 17950 1 294 . 1 1 27 27 LYS HD3 H 1 1.452 0.020 . . . . . A 27 LYS HD3 . 17950 1 295 . 1 1 27 27 LYS HE2 H 1 2.841 0.020 . . . . . A 27 LYS HE2 . 17950 1 296 . 1 1 27 27 LYS HE3 H 1 2.841 0.020 . . . . . A 27 LYS HE3 . 17950 1 297 . 1 1 27 27 LYS C C 13 176.586 0.400 . . . . . A 27 LYS C . 17950 1 298 . 1 1 27 27 LYS CA C 13 53.590 0.400 . . . . . A 27 LYS CA . 17950 1 299 . 1 1 27 27 LYS CB C 13 30.298 0.400 . . . . . A 27 LYS CB . 17950 1 300 . 1 1 27 27 LYS CG C 13 23.689 0.400 . . . . . A 27 LYS CG . 17950 1 301 . 1 1 27 27 LYS CD C 13 28.517 0.400 . . . . . A 27 LYS CD . 17950 1 302 . 1 1 27 27 LYS CE C 13 42.043 0.400 . . . . . A 27 LYS CE . 17950 1 303 . 1 1 27 27 LYS N N 15 122.617 0.400 . . . . . A 27 LYS N . 17950 1 304 . 1 1 28 28 TRP H H 1 6.384 0.020 . . . . . A 28 TRP H . 17950 1 305 . 1 1 28 28 TRP HA H 1 4.130 0.020 . . . . . A 28 TRP HA . 17950 1 306 . 1 1 28 28 TRP HB2 H 1 3.445 0.020 . . . . . A 28 TRP HB2 . 17950 1 307 . 1 1 28 28 TRP HB3 H 1 3.206 0.020 . . . . . A 28 TRP HB3 . 17950 1 308 . 1 1 28 28 TRP HE1 H 1 10.005 0.020 . . . . . A 28 TRP HE1 . 17950 1 309 . 1 1 28 28 TRP C C 13 178.012 0.400 . . . . . A 28 TRP C . 17950 1 310 . 1 1 28 28 TRP CA C 13 58.414 0.400 . . . . . A 28 TRP CA . 17950 1 311 . 1 1 28 28 TRP CB C 13 30.008 0.400 . . . . . A 28 TRP CB . 17950 1 312 . 1 1 28 28 TRP N N 15 119.816 0.400 . . . . . A 28 TRP N . 17950 1 313 . 1 1 28 28 TRP NE1 N 15 129.061 0.400 . . . . . A 28 TRP NE1 . 17950 1 314 . 1 1 29 29 ARG H H 1 8.465 0.020 . . . . . A 29 ARG H . 17950 1 315 . 1 1 29 29 ARG HA H 1 3.963 0.020 . . . . . A 29 ARG HA . 17950 1 316 . 1 1 29 29 ARG HB2 H 1 1.811 0.020 . . . . . A 29 ARG HB2 . 17950 1 317 . 1 1 29 29 ARG HB3 H 1 1.796 0.020 . . . . . A 29 ARG HB3 . 17950 1 318 . 1 1 29 29 ARG HG2 H 1 1.748 0.020 . . . . . A 29 ARG HG2 . 17950 1 319 . 1 1 29 29 ARG HG3 H 1 1.569 0.020 . . . . . A 29 ARG HG3 . 17950 1 320 . 1 1 29 29 ARG HD2 H 1 3.126 0.020 . . . . . A 29 ARG HD2 . 17950 1 321 . 1 1 29 29 ARG HD3 H 1 3.126 0.020 . . . . . A 29 ARG HD3 . 17950 1 322 . 1 1 29 29 ARG C C 13 178.821 0.400 . . . . . A 29 ARG C . 17950 1 323 . 1 1 29 29 ARG CA C 13 59.381 0.400 . . . . . A 29 ARG CA . 17950 1 324 . 1 1 29 29 ARG CB C 13 29.366 0.400 . . . . . A 29 ARG CB . 17950 1 325 . 1 1 29 29 ARG CG C 13 28.098 0.400 . . . . . A 29 ARG CG . 17950 1 326 . 1 1 29 29 ARG CD C 13 43.150 0.400 . . . . . A 29 ARG CD . 17950 1 327 . 1 1 29 29 ARG N N 15 115.616 0.400 . . . . . A 29 ARG N . 17950 1 328 . 1 1 30 30 THR H H 1 7.451 0.020 . . . . . A 30 THR H . 17950 1 329 . 1 1 30 30 THR HA H 1 3.594 0.020 . . . . . A 30 THR HA . 17950 1 330 . 1 1 30 30 THR HB H 1 3.818 0.020 . . . . . A 30 THR HB . 17950 1 331 . 1 1 30 30 THR HG21 H 1 0.393 0.020 . . . . . A 30 THR HG21 . 17950 1 332 . 1 1 30 30 THR HG22 H 1 0.393 0.020 . . . . . A 30 THR HG22 . 17950 1 333 . 1 1 30 30 THR HG23 H 1 0.393 0.020 . . . . . A 30 THR HG23 . 17950 1 334 . 1 1 30 30 THR C C 13 176.351 0.400 . . . . . A 30 THR C . 17950 1 335 . 1 1 30 30 THR CA C 13 66.347 0.400 . . . . . A 30 THR CA . 17950 1 336 . 1 1 30 30 THR CB C 13 68.157 0.400 . . . . . A 30 THR CB . 17950 1 337 . 1 1 30 30 THR CG2 C 13 20.363 0.400 . . . . . A 30 THR CG2 . 17950 1 338 . 1 1 30 30 THR N N 15 118.439 0.400 . . . . . A 30 THR N . 17950 1 339 . 1 1 31 31 ILE H H 1 7.551 0.020 . . . . . A 31 ILE H . 17950 1 340 . 1 1 31 31 ILE HA H 1 3.403 0.020 . . . . . A 31 ILE HA . 17950 1 341 . 1 1 31 31 ILE HB H 1 1.801 0.020 . . . . . A 31 ILE HB . 17950 1 342 . 1 1 31 31 ILE HG12 H 1 1.556 0.020 . . . . . A 31 ILE HG12 . 17950 1 343 . 1 1 31 31 ILE HG13 H 1 0.531 0.020 . . . . . A 31 ILE HG13 . 17950 1 344 . 1 1 31 31 ILE HG21 H 1 0.616 0.020 . . . . . A 31 ILE HG21 . 17950 1 345 . 1 1 31 31 ILE HG22 H 1 0.616 0.020 . . . . . A 31 ILE HG22 . 17950 1 346 . 1 1 31 31 ILE HG23 H 1 0.616 0.020 . . . . . A 31 ILE HG23 . 17950 1 347 . 1 1 31 31 ILE HD11 H 1 0.546 0.020 . . . . . A 31 ILE HD11 . 17950 1 348 . 1 1 31 31 ILE HD12 H 1 0.546 0.020 . . . . . A 31 ILE HD12 . 17950 1 349 . 1 1 31 31 ILE HD13 H 1 0.546 0.020 . . . . . A 31 ILE HD13 . 17950 1 350 . 1 1 31 31 ILE C C 13 176.326 0.400 . . . . . A 31 ILE C . 17950 1 351 . 1 1 31 31 ILE CA C 13 66.885 0.400 . . . . . A 31 ILE CA . 17950 1 352 . 1 1 31 31 ILE CB C 13 38.320 0.400 . . . . . A 31 ILE CB . 17950 1 353 . 1 1 31 31 ILE CG1 C 13 30.633 0.400 . . . . . A 31 ILE CG1 . 17950 1 354 . 1 1 31 31 ILE CG2 C 13 16.816 0.400 . . . . . A 31 ILE CG2 . 17950 1 355 . 1 1 31 31 ILE CD1 C 13 14.262 0.400 . . . . . A 31 ILE CD1 . 17950 1 356 . 1 1 31 31 ILE N N 15 121.530 0.400 . . . . . A 31 ILE N . 17950 1 357 . 1 1 32 32 LEU H H 1 7.317 0.020 . . . . . A 32 LEU H . 17950 1 358 . 1 1 32 32 LEU HA H 1 3.871 0.020 . . . . . A 32 LEU HA . 17950 1 359 . 1 1 32 32 LEU HB2 H 1 1.727 0.020 . . . . . A 32 LEU HB2 . 17950 1 360 . 1 1 32 32 LEU HB3 H 1 1.519 0.020 . . . . . A 32 LEU HB3 . 17950 1 361 . 1 1 32 32 LEU HG H 1 1.625 0.020 . . . . . A 32 LEU HG . 17950 1 362 . 1 1 32 32 LEU HD11 H 1 0.763 0.020 . . . . . A 32 LEU HD11 . 17950 1 363 . 1 1 32 32 LEU HD12 H 1 0.763 0.020 . . . . . A 32 LEU HD12 . 17950 1 364 . 1 1 32 32 LEU HD13 H 1 0.763 0.020 . . . . . A 32 LEU HD13 . 17950 1 365 . 1 1 32 32 LEU HD21 H 1 0.822 0.020 . . . . . A 32 LEU HD21 . 17950 1 366 . 1 1 32 32 LEU HD22 H 1 0.822 0.020 . . . . . A 32 LEU HD22 . 17950 1 367 . 1 1 32 32 LEU HD23 H 1 0.822 0.020 . . . . . A 32 LEU HD23 . 17950 1 368 . 1 1 32 32 LEU C C 13 177.633 0.400 . . . . . A 32 LEU C . 17950 1 369 . 1 1 32 32 LEU CA C 13 56.846 0.400 . . . . . A 32 LEU CA . 17950 1 370 . 1 1 32 32 LEU CB C 13 42.246 0.400 . . . . . A 32 LEU CB . 17950 1 371 . 1 1 32 32 LEU CG C 13 26.912 0.400 . . . . . A 32 LEU CG . 17950 1 372 . 1 1 32 32 LEU CD1 C 13 24.952 0.400 . . . . . A 32 LEU CD1 . 17950 1 373 . 1 1 32 32 LEU CD2 C 13 23.934 0.400 . . . . . A 32 LEU CD2 . 17950 1 374 . 1 1 32 32 LEU N N 15 113.721 0.400 . . . . . A 32 LEU N . 17950 1 375 . 1 1 33 33 SER H H 1 7.389 0.020 . . . . . A 33 SER H . 17950 1 376 . 1 1 33 33 SER HA H 1 4.442 0.020 . . . . . A 33 SER HA . 17950 1 377 . 1 1 33 33 SER HB2 H 1 3.855 0.020 . . . . . A 33 SER HB2 . 17950 1 378 . 1 1 33 33 SER HB3 H 1 3.836 0.020 . . . . . A 33 SER HB3 . 17950 1 379 . 1 1 33 33 SER C C 13 173.479 0.400 . . . . . A 33 SER C . 17950 1 380 . 1 1 33 33 SER CA C 13 58.210 0.400 . . . . . A 33 SER CA . 17950 1 381 . 1 1 33 33 SER CB C 13 64.194 0.400 . . . . . A 33 SER CB . 17950 1 382 . 1 1 33 33 SER N N 15 110.515 0.400 . . . . . A 33 SER N . 17950 1 383 . 1 1 34 34 ASP H H 1 7.426 0.020 . . . . . A 34 ASP H . 17950 1 384 . 1 1 34 34 ASP HA H 1 4.617 0.020 . . . . . A 34 ASP HA . 17950 1 385 . 1 1 34 34 ASP HB2 H 1 3.494 0.020 . . . . . A 34 ASP HB2 . 17950 1 386 . 1 1 34 34 ASP HB3 H 1 2.854 0.020 . . . . . A 34 ASP HB3 . 17950 1 387 . 1 1 34 34 ASP C C 13 178.020 0.400 . . . . . A 34 ASP C . 17950 1 388 . 1 1 34 34 ASP CA C 13 53.652 0.400 . . . . . A 34 ASP CA . 17950 1 389 . 1 1 34 34 ASP CB C 13 42.056 0.400 . . . . . A 34 ASP CB . 17950 1 390 . 1 1 34 34 ASP N N 15 125.920 0.400 . . . . . A 34 ASP N . 17950 1 391 . 1 1 35 35 THR H H 1 8.689 0.020 . . . . . A 35 THR H . 17950 1 392 . 1 1 35 35 THR HA H 1 4.223 0.020 . . . . . A 35 THR HA . 17950 1 393 . 1 1 35 35 THR HB H 1 4.231 0.020 . . . . . A 35 THR HB . 17950 1 394 . 1 1 35 35 THR HG21 H 1 1.237 0.020 . . . . . A 35 THR HG21 . 17950 1 395 . 1 1 35 35 THR HG22 H 1 1.237 0.020 . . . . . A 35 THR HG22 . 17950 1 396 . 1 1 35 35 THR HG23 H 1 1.237 0.020 . . . . . A 35 THR HG23 . 17950 1 397 . 1 1 35 35 THR C C 13 175.997 0.400 . . . . . A 35 THR C . 17950 1 398 . 1 1 35 35 THR CA C 13 64.686 0.400 . . . . . A 35 THR CA . 17950 1 399 . 1 1 35 35 THR CB C 13 68.728 0.400 . . . . . A 35 THR CB . 17950 1 400 . 1 1 35 35 THR CG2 C 13 21.758 0.400 . . . . . A 35 THR CG2 . 17950 1 401 . 1 1 35 35 THR N N 15 122.180 0.400 . . . . . A 35 THR N . 17950 1 402 . 1 1 36 36 GLU H H 1 8.818 0.020 . . . . . A 36 GLU H . 17950 1 403 . 1 1 36 36 GLU HA H 1 3.698 0.020 . . . . . A 36 GLU HA . 17950 1 404 . 1 1 36 36 GLU HB2 H 1 0.971 0.020 . . . . . A 36 GLU HB2 . 17950 1 405 . 1 1 36 36 GLU HB3 H 1 0.607 0.020 . . . . . A 36 GLU HB3 . 17950 1 406 . 1 1 36 36 GLU HG2 H 1 1.834 0.020 . . . . . A 36 GLU HG2 . 17950 1 407 . 1 1 36 36 GLU HG3 H 1 1.490 0.020 . . . . . A 36 GLU HG3 . 17950 1 408 . 1 1 36 36 GLU C C 13 177.497 0.400 . . . . . A 36 GLU C . 17950 1 409 . 1 1 36 36 GLU CA C 13 59.317 0.400 . . . . . A 36 GLU CA . 17950 1 410 . 1 1 36 36 GLU CB C 13 29.107 0.400 . . . . . A 36 GLU CB . 17950 1 411 . 1 1 36 36 GLU CG C 13 36.927 0.400 . . . . . A 36 GLU CG . 17950 1 412 . 1 1 36 36 GLU N N 15 122.403 0.400 . . . . . A 36 GLU N . 17950 1 413 . 1 1 37 37 PHE H H 1 7.477 0.020 . . . . . A 37 PHE H . 17950 1 414 . 1 1 37 37 PHE HA H 1 4.857 0.020 . . . . . A 37 PHE HA . 17950 1 415 . 1 1 37 37 PHE HB2 H 1 3.208 0.020 . . . . . A 37 PHE HB2 . 17950 1 416 . 1 1 37 37 PHE HB3 H 1 3.077 0.020 . . . . . A 37 PHE HB3 . 17950 1 417 . 1 1 37 37 PHE C C 13 177.191 0.400 . . . . . A 37 PHE C . 17950 1 418 . 1 1 37 37 PHE CA C 13 56.463 0.400 . . . . . A 37 PHE CA . 17950 1 419 . 1 1 37 37 PHE CB C 13 41.086 0.400 . . . . . A 37 PHE CB . 17950 1 420 . 1 1 37 37 PHE N N 15 114.348 0.400 . . . . . A 37 PHE N . 17950 1 421 . 1 1 38 38 SER H H 1 8.546 0.020 . . . . . A 38 SER H . 17950 1 422 . 1 1 38 38 SER HA H 1 3.822 0.020 . . . . . A 38 SER HA . 17950 1 423 . 1 1 38 38 SER HB2 H 1 3.649 0.020 . . . . . A 38 SER HB2 . 17950 1 424 . 1 1 38 38 SER HB3 H 1 3.610 0.020 . . . . . A 38 SER HB3 . 17950 1 425 . 1 1 38 38 SER C C 13 176.516 0.400 . . . . . A 38 SER C . 17950 1 426 . 1 1 38 38 SER CA C 13 61.996 0.400 . . . . . A 38 SER CA . 17950 1 427 . 1 1 38 38 SER CB C 13 62.761 0.400 . . . . . A 38 SER CB . 17950 1 428 . 1 1 38 38 SER N N 15 114.722 0.400 . . . . . A 38 SER N . 17950 1 429 . 1 1 39 39 LEU H H 1 8.115 0.020 . . . . . A 39 LEU H . 17950 1 430 . 1 1 39 39 LEU HA H 1 4.213 0.020 . . . . . A 39 LEU HA . 17950 1 431 . 1 1 39 39 LEU HB2 H 1 1.640 0.020 . . . . . A 39 LEU HB2 . 17950 1 432 . 1 1 39 39 LEU HB3 H 1 1.542 0.020 . . . . . A 39 LEU HB3 . 17950 1 433 . 1 1 39 39 LEU HG H 1 1.569 0.020 . . . . . A 39 LEU HG . 17950 1 434 . 1 1 39 39 LEU HD11 H 1 0.844 0.020 . . . . . A 39 LEU HD11 . 17950 1 435 . 1 1 39 39 LEU HD12 H 1 0.844 0.020 . . . . . A 39 LEU HD12 . 17950 1 436 . 1 1 39 39 LEU HD13 H 1 0.844 0.020 . . . . . A 39 LEU HD13 . 17950 1 437 . 1 1 39 39 LEU HD21 H 1 0.795 0.020 . . . . . A 39 LEU HD21 . 17950 1 438 . 1 1 39 39 LEU HD22 H 1 0.795 0.020 . . . . . A 39 LEU HD22 . 17950 1 439 . 1 1 39 39 LEU HD23 H 1 0.795 0.020 . . . . . A 39 LEU HD23 . 17950 1 440 . 1 1 39 39 LEU C C 13 179.777 0.400 . . . . . A 39 LEU C . 17950 1 441 . 1 1 39 39 LEU CA C 13 57.171 0.400 . . . . . A 39 LEU CA . 17950 1 442 . 1 1 39 39 LEU CB C 13 41.340 0.400 . . . . . A 39 LEU CB . 17950 1 443 . 1 1 39 39 LEU CG C 13 27.153 0.400 . . . . . A 39 LEU CG . 17950 1 444 . 1 1 39 39 LEU CD1 C 13 23.954 0.400 . . . . . A 39 LEU CD1 . 17950 1 445 . 1 1 39 39 LEU CD2 C 13 23.863 0.400 . . . . . A 39 LEU CD2 . 17950 1 446 . 1 1 39 39 LEU N N 15 121.277 0.400 . . . . . A 39 LEU N . 17950 1 447 . 1 1 40 40 ILE H H 1 7.525 0.020 . . . . . A 40 ILE H . 17950 1 448 . 1 1 40 40 ILE HA H 1 3.701 0.020 . . . . . A 40 ILE HA . 17950 1 449 . 1 1 40 40 ILE HB H 1 1.737 0.020 . . . . . A 40 ILE HB . 17950 1 450 . 1 1 40 40 ILE HG12 H 1 1.613 0.020 . . . . . A 40 ILE HG12 . 17950 1 451 . 1 1 40 40 ILE HG13 H 1 1.095 0.020 . . . . . A 40 ILE HG13 . 17950 1 452 . 1 1 40 40 ILE HG21 H 1 0.845 0.020 . . . . . A 40 ILE HG21 . 17950 1 453 . 1 1 40 40 ILE HG22 H 1 0.845 0.020 . . . . . A 40 ILE HG22 . 17950 1 454 . 1 1 40 40 ILE HG23 H 1 0.845 0.020 . . . . . A 40 ILE HG23 . 17950 1 455 . 1 1 40 40 ILE HD11 H 1 0.967 0.020 . . . . . A 40 ILE HD11 . 17950 1 456 . 1 1 40 40 ILE HD12 H 1 0.967 0.020 . . . . . A 40 ILE HD12 . 17950 1 457 . 1 1 40 40 ILE HD13 H 1 0.967 0.020 . . . . . A 40 ILE HD13 . 17950 1 458 . 1 1 40 40 ILE C C 13 178.413 0.400 . . . . . A 40 ILE C . 17950 1 459 . 1 1 40 40 ILE CA C 13 63.624 0.400 . . . . . A 40 ILE CA . 17950 1 460 . 1 1 40 40 ILE CB C 13 38.778 0.400 . . . . . A 40 ILE CB . 17950 1 461 . 1 1 40 40 ILE CG1 C 13 28.838 0.400 . . . . . A 40 ILE CG1 . 17950 1 462 . 1 1 40 40 ILE CG2 C 13 18.702 0.400 . . . . . A 40 ILE CG2 . 17950 1 463 . 1 1 40 40 ILE CD1 C 13 13.733 0.400 . . . . . A 40 ILE CD1 . 17950 1 464 . 1 1 40 40 ILE N N 15 120.137 0.400 . . . . . A 40 ILE N . 17950 1 465 . 1 1 41 41 LEU H H 1 7.608 0.020 . . . . . A 41 LEU H . 17950 1 466 . 1 1 41 41 LEU HA H 1 4.406 0.020 . . . . . A 41 LEU HA . 17950 1 467 . 1 1 41 41 LEU HB2 H 1 1.724 0.020 . . . . . A 41 LEU HB2 . 17950 1 468 . 1 1 41 41 LEU HB3 H 1 1.509 0.020 . . . . . A 41 LEU HB3 . 17950 1 469 . 1 1 41 41 LEU HG H 1 1.603 0.020 . . . . . A 41 LEU HG . 17950 1 470 . 1 1 41 41 LEU HD11 H 1 0.776 0.020 . . . . . A 41 LEU HD11 . 17950 1 471 . 1 1 41 41 LEU HD12 H 1 0.776 0.020 . . . . . A 41 LEU HD12 . 17950 1 472 . 1 1 41 41 LEU HD13 H 1 0.776 0.020 . . . . . A 41 LEU HD13 . 17950 1 473 . 1 1 41 41 LEU HD21 H 1 0.903 0.020 . . . . . A 41 LEU HD21 . 17950 1 474 . 1 1 41 41 LEU HD22 H 1 0.903 0.020 . . . . . A 41 LEU HD22 . 17950 1 475 . 1 1 41 41 LEU HD23 H 1 0.903 0.020 . . . . . A 41 LEU HD23 . 17950 1 476 . 1 1 41 41 LEU C C 13 176.196 0.400 . . . . . A 41 LEU C . 17950 1 477 . 1 1 41 41 LEU CA C 13 54.256 0.400 . . . . . A 41 LEU CA . 17950 1 478 . 1 1 41 41 LEU CB C 13 41.891 0.400 . . . . . A 41 LEU CB . 17950 1 479 . 1 1 41 41 LEU CG C 13 27.069 0.400 . . . . . A 41 LEU CG . 17950 1 480 . 1 1 41 41 LEU CD1 C 13 25.972 0.400 . . . . . A 41 LEU CD1 . 17950 1 481 . 1 1 41 41 LEU CD2 C 13 22.757 0.400 . . . . . A 41 LEU CD2 . 17950 1 482 . 1 1 41 41 LEU N N 15 117.023 0.400 . . . . . A 41 LEU N . 17950 1 483 . 1 1 42 42 LYS H H 1 6.645 0.020 . . . . . A 42 LYS H . 17950 1 484 . 1 1 42 42 LYS HA H 1 4.050 0.020 . . . . . A 42 LYS HA . 17950 1 485 . 1 1 42 42 LYS HB2 H 1 1.976 0.020 . . . . . A 42 LYS HB2 . 17950 1 486 . 1 1 42 42 LYS HB3 H 1 1.956 0.020 . . . . . A 42 LYS HB3 . 17950 1 487 . 1 1 42 42 LYS HG2 H 1 1.432 0.020 . . . . . A 42 LYS HG2 . 17950 1 488 . 1 1 42 42 LYS HG3 H 1 1.248 0.020 . . . . . A 42 LYS HG3 . 17950 1 489 . 1 1 42 42 LYS HD2 H 1 1.646 0.020 . . . . . A 42 LYS HD2 . 17950 1 490 . 1 1 42 42 LYS HD3 H 1 1.646 0.020 . . . . . A 42 LYS HD3 . 17950 1 491 . 1 1 42 42 LYS C C 13 177.139 0.400 . . . . . A 42 LYS C . 17950 1 492 . 1 1 42 42 LYS CA C 13 59.111 0.400 . . . . . A 42 LYS CA . 17950 1 493 . 1 1 42 42 LYS CB C 13 32.553 0.400 . . . . . A 42 LYS CB . 17950 1 494 . 1 1 42 42 LYS CG C 13 23.603 0.400 . . . . . A 42 LYS CG . 17950 1 495 . 1 1 42 42 LYS CD C 13 29.452 0.400 . . . . . A 42 LYS CD . 17950 1 496 . 1 1 42 42 LYS CE C 13 49.390 0.400 . . . . . A 42 LYS CE . 17950 1 497 . 1 1 42 42 LYS N N 15 116.369 0.400 . . . . . A 42 LYS N . 17950 1 498 . 1 1 43 43 SER H H 1 8.443 0.020 . . . . . A 43 SER H . 17950 1 499 . 1 1 43 43 SER HA H 1 4.407 0.020 . . . . . A 43 SER HA . 17950 1 500 . 1 1 43 43 SER HB2 H 1 3.754 0.020 . . . . . A 43 SER HB2 . 17950 1 501 . 1 1 43 43 SER HB3 H 1 3.637 0.020 . . . . . A 43 SER HB3 . 17950 1 502 . 1 1 43 43 SER C C 13 173.754 0.400 . . . . . A 43 SER C . 17950 1 503 . 1 1 43 43 SER CA C 13 58.850 0.400 . . . . . A 43 SER CA . 17950 1 504 . 1 1 43 43 SER CB C 13 63.117 0.400 . . . . . A 43 SER CB . 17950 1 505 . 1 1 43 43 SER N N 15 115.061 0.400 . . . . . A 43 SER N . 17950 1 506 . 1 1 44 44 ARG H H 1 8.036 0.020 . . . . . A 44 ARG H . 17950 1 507 . 1 1 44 44 ARG HA H 1 4.674 0.020 . . . . . A 44 ARG HA . 17950 1 508 . 1 1 44 44 ARG HB2 H 1 1.924 0.020 . . . . . A 44 ARG HB2 . 17950 1 509 . 1 1 44 44 ARG HB3 H 1 1.635 0.020 . . . . . A 44 ARG HB3 . 17950 1 510 . 1 1 44 44 ARG HG2 H 1 1.096 0.020 . . . . . A 44 ARG HG2 . 17950 1 511 . 1 1 44 44 ARG HG3 H 1 0.695 0.020 . . . . . A 44 ARG HG3 . 17950 1 512 . 1 1 44 44 ARG HD2 H 1 2.527 0.020 . . . . . A 44 ARG HD2 . 17950 1 513 . 1 1 44 44 ARG HD3 H 1 2.134 0.020 . . . . . A 44 ARG HD3 . 17950 1 514 . 1 1 44 44 ARG C C 13 174.410 0.400 . . . . . A 44 ARG C . 17950 1 515 . 1 1 44 44 ARG CA C 13 52.244 0.400 . . . . . A 44 ARG CA . 17950 1 516 . 1 1 44 44 ARG CB C 13 31.309 0.400 . . . . . A 44 ARG CB . 17950 1 517 . 1 1 44 44 ARG CG C 13 24.842 0.400 . . . . . A 44 ARG CG . 17950 1 518 . 1 1 44 44 ARG CD C 13 41.466 0.400 . . . . . A 44 ARG CD . 17950 1 519 . 1 1 44 44 ARG N N 15 119.658 0.400 . . . . . A 44 ARG N . 17950 1 520 . 1 1 45 45 SER H H 1 9.180 0.020 . . . . . A 45 SER H . 17950 1 521 . 1 1 45 45 SER HA H 1 4.764 0.020 . . . . . A 45 SER HA . 17950 1 522 . 1 1 45 45 SER HB2 H 1 4.249 0.020 . . . . . A 45 SER HB2 . 17950 1 523 . 1 1 45 45 SER HB3 H 1 3.881 0.020 . . . . . A 45 SER HB3 . 17950 1 524 . 1 1 45 45 SER C C 13 175.294 0.400 . . . . . A 45 SER C . 17950 1 525 . 1 1 45 45 SER CA C 13 55.857 0.400 . . . . . A 45 SER CA . 17950 1 526 . 1 1 45 45 SER CB C 13 66.828 0.400 . . . . . A 45 SER CB . 17950 1 527 . 1 1 45 45 SER N N 15 116.676 0.400 . . . . . A 45 SER N . 17950 1 528 . 1 1 46 46 ASN H H 1 9.005 0.020 . . . . . A 46 ASN H . 17950 1 529 . 1 1 46 46 ASN HA H 1 3.954 0.020 . . . . . A 46 ASN HA . 17950 1 530 . 1 1 46 46 ASN HB2 H 1 2.770 0.020 . . . . . A 46 ASN HB2 . 17950 1 531 . 1 1 46 46 ASN HB3 H 1 2.668 0.020 . . . . . A 46 ASN HB3 . 17950 1 532 . 1 1 46 46 ASN C C 13 176.356 0.400 . . . . . A 46 ASN C . 17950 1 533 . 1 1 46 46 ASN CA C 13 57.734 0.400 . . . . . A 46 ASN CA . 17950 1 534 . 1 1 46 46 ASN CB C 13 36.901 0.400 . . . . . A 46 ASN CB . 17950 1 535 . 1 1 46 46 ASN N N 15 118.004 0.400 . . . . . A 46 ASN N . 17950 1 536 . 1 1 47 47 VAL H H 1 7.329 0.020 . . . . . A 47 VAL H . 17950 1 537 . 1 1 47 47 VAL HA H 1 3.422 0.020 . . . . . A 47 VAL HA . 17950 1 538 . 1 1 47 47 VAL HB H 1 1.808 0.020 . . . . . A 47 VAL HB . 17950 1 539 . 1 1 47 47 VAL HG11 H 1 0.892 0.020 . . . . . A 47 VAL HG11 . 17950 1 540 . 1 1 47 47 VAL HG12 H 1 0.892 0.020 . . . . . A 47 VAL HG12 . 17950 1 541 . 1 1 47 47 VAL HG13 H 1 0.892 0.020 . . . . . A 47 VAL HG13 . 17950 1 542 . 1 1 47 47 VAL HG21 H 1 0.833 0.020 . . . . . A 47 VAL HG21 . 17950 1 543 . 1 1 47 47 VAL HG22 H 1 0.833 0.020 . . . . . A 47 VAL HG22 . 17950 1 544 . 1 1 47 47 VAL HG23 H 1 0.833 0.020 . . . . . A 47 VAL HG23 . 17950 1 545 . 1 1 47 47 VAL C C 13 176.899 0.400 . . . . . A 47 VAL C . 17950 1 546 . 1 1 47 47 VAL CA C 13 65.439 0.400 . . . . . A 47 VAL CA . 17950 1 547 . 1 1 47 47 VAL CB C 13 31.863 0.400 . . . . . A 47 VAL CB . 17950 1 548 . 1 1 47 47 VAL CG1 C 13 21.911 0.400 . . . . . A 47 VAL CG1 . 17950 1 549 . 1 1 47 47 VAL CG2 C 13 21.418 0.400 . . . . . A 47 VAL CG2 . 17950 1 550 . 1 1 47 47 VAL N N 15 119.294 0.400 . . . . . A 47 VAL N . 17950 1 551 . 1 1 48 48 ASP H H 1 7.597 0.020 . . . . . A 48 ASP H . 17950 1 552 . 1 1 48 48 ASP HA H 1 4.358 0.020 . . . . . A 48 ASP HA . 17950 1 553 . 1 1 48 48 ASP HB2 H 1 3.276 0.020 . . . . . A 48 ASP HB2 . 17950 1 554 . 1 1 48 48 ASP HB3 H 1 2.799 0.020 . . . . . A 48 ASP HB3 . 17950 1 555 . 1 1 48 48 ASP C C 13 179.879 0.400 . . . . . A 48 ASP C . 17950 1 556 . 1 1 48 48 ASP CA C 13 57.162 0.400 . . . . . A 48 ASP CA . 17950 1 557 . 1 1 48 48 ASP CB C 13 41.040 0.400 . . . . . A 48 ASP CB . 17950 1 558 . 1 1 48 48 ASP N N 15 120.297 0.400 . . . . . A 48 ASP N . 17950 1 559 . 1 1 49 49 LEU H H 1 7.835 0.020 . . . . . A 49 LEU H . 17950 1 560 . 1 1 49 49 LEU HA H 1 3.824 0.020 . . . . . A 49 LEU HA . 17950 1 561 . 1 1 49 49 LEU HB2 H 1 1.722 0.020 . . . . . A 49 LEU HB2 . 17950 1 562 . 1 1 49 49 LEU HB3 H 1 1.439 0.020 . . . . . A 49 LEU HB3 . 17950 1 563 . 1 1 49 49 LEU HG H 1 2.125 0.020 . . . . . A 49 LEU HG . 17950 1 564 . 1 1 49 49 LEU HD11 H 1 1.131 0.020 . . . . . A 49 LEU HD11 . 17950 1 565 . 1 1 49 49 LEU HD12 H 1 1.131 0.020 . . . . . A 49 LEU HD12 . 17950 1 566 . 1 1 49 49 LEU HD13 H 1 1.131 0.020 . . . . . A 49 LEU HD13 . 17950 1 567 . 1 1 49 49 LEU HD21 H 1 1.098 0.020 . . . . . A 49 LEU HD21 . 17950 1 568 . 1 1 49 49 LEU HD22 H 1 1.098 0.020 . . . . . A 49 LEU HD22 . 17950 1 569 . 1 1 49 49 LEU HD23 H 1 1.098 0.020 . . . . . A 49 LEU HD23 . 17950 1 570 . 1 1 49 49 LEU C C 13 176.207 0.400 . . . . . A 49 LEU C . 17950 1 571 . 1 1 49 49 LEU CA C 13 59.202 0.400 . . . . . A 49 LEU CA . 17950 1 572 . 1 1 49 49 LEU CB C 13 41.113 0.400 . . . . . A 49 LEU CB . 17950 1 573 . 1 1 49 49 LEU CG C 13 28.888 0.400 . . . . . A 49 LEU CG . 17950 1 574 . 1 1 49 49 LEU CD1 C 13 26.131 0.400 . . . . . A 49 LEU CD1 . 17950 1 575 . 1 1 49 49 LEU CD2 C 13 25.047 0.400 . . . . . A 49 LEU CD2 . 17950 1 576 . 1 1 49 49 LEU N N 15 119.624 0.400 . . . . . A 49 LEU N . 17950 1 577 . 1 1 50 50 LYS H H 1 6.788 0.020 . . . . . A 50 LYS H . 17950 1 578 . 1 1 50 50 LYS HA H 1 2.427 0.020 . . . . . A 50 LYS HA . 17950 1 579 . 1 1 50 50 LYS HB2 H 1 1.450 0.020 . . . . . A 50 LYS HB2 . 17950 1 580 . 1 1 50 50 LYS HB3 H 1 0.803 0.020 . . . . . A 50 LYS HB3 . 17950 1 581 . 1 1 50 50 LYS HG2 H 1 1.344 0.020 . . . . . A 50 LYS HG2 . 17950 1 582 . 1 1 50 50 LYS HG3 H 1 1.108 0.020 . . . . . A 50 LYS HG3 . 17950 1 583 . 1 1 50 50 LYS HE2 H 1 2.940 0.020 . . . . . A 50 LYS HE2 . 17950 1 584 . 1 1 50 50 LYS HE3 H 1 2.940 0.020 . . . . . A 50 LYS HE3 . 17950 1 585 . 1 1 50 50 LYS C C 13 178.745 0.400 . . . . . A 50 LYS C . 17950 1 586 . 1 1 50 50 LYS CA C 13 59.310 0.400 . . . . . A 50 LYS CA . 17950 1 587 . 1 1 50 50 LYS CB C 13 31.906 0.400 . . . . . A 50 LYS CB . 17950 1 588 . 1 1 50 50 LYS CG C 13 24.274 0.400 . . . . . A 50 LYS CG . 17950 1 589 . 1 1 50 50 LYS CE C 13 41.773 0.400 . . . . . A 50 LYS CE . 17950 1 590 . 1 1 50 50 LYS N N 15 119.306 0.400 . . . . . A 50 LYS N . 17950 1 591 . 1 1 51 51 ASP H H 1 8.203 0.020 . . . . . A 51 ASP H . 17950 1 592 . 1 1 51 51 ASP HA H 1 4.167 0.020 . . . . . A 51 ASP HA . 17950 1 593 . 1 1 51 51 ASP HB2 H 1 2.571 0.020 . . . . . A 51 ASP HB2 . 17950 1 594 . 1 1 51 51 ASP HB3 H 1 2.439 0.020 . . . . . A 51 ASP HB3 . 17950 1 595 . 1 1 51 51 ASP C C 13 178.461 0.400 . . . . . A 51 ASP C . 17950 1 596 . 1 1 51 51 ASP CA C 13 56.852 0.400 . . . . . A 51 ASP CA . 17950 1 597 . 1 1 51 51 ASP CB C 13 40.475 0.400 . . . . . A 51 ASP CB . 17950 1 598 . 1 1 51 51 ASP N N 15 118.721 0.400 . . . . . A 51 ASP N . 17950 1 599 . 1 1 52 52 LYS H H 1 7.842 0.020 . . . . . A 52 LYS H . 17950 1 600 . 1 1 52 52 LYS HA H 1 3.776 0.020 . . . . . A 52 LYS HA . 17950 1 601 . 1 1 52 52 LYS HB2 H 1 1.337 0.020 . . . . . A 52 LYS HB2 . 17950 1 602 . 1 1 52 52 LYS HB3 H 1 1.088 0.020 . . . . . A 52 LYS HB3 . 17950 1 603 . 1 1 52 52 LYS HG2 H 1 0.286 0.020 . . . . . A 52 LYS HG2 . 17950 1 604 . 1 1 52 52 LYS HG3 H 1 0.233 0.020 . . . . . A 52 LYS HG3 . 17950 1 605 . 1 1 52 52 LYS HD2 H 1 1.082 0.020 . . . . . A 52 LYS HD2 . 17950 1 606 . 1 1 52 52 LYS HD3 H 1 1.082 0.020 . . . . . A 52 LYS HD3 . 17950 1 607 . 1 1 52 52 LYS C C 13 178.328 0.400 . . . . . A 52 LYS C . 17950 1 608 . 1 1 52 52 LYS CA C 13 56.841 0.400 . . . . . A 52 LYS CA . 17950 1 609 . 1 1 52 52 LYS CB C 13 31.473 0.400 . . . . . A 52 LYS CB . 17950 1 610 . 1 1 52 52 LYS CG C 13 22.971 0.400 . . . . . A 52 LYS CG . 17950 1 611 . 1 1 52 52 LYS CD C 13 27.104 0.400 . . . . . A 52 LYS CD . 17950 1 612 . 1 1 52 52 LYS N N 15 121.009 0.400 . . . . . A 52 LYS N . 17950 1 613 . 1 1 53 53 TRP H H 1 8.469 0.020 . . . . . A 53 TRP H . 17950 1 614 . 1 1 53 53 TRP HA H 1 4.121 0.020 . . . . . A 53 TRP HA . 17950 1 615 . 1 1 53 53 TRP HB2 H 1 3.259 0.020 . . . . . A 53 TRP HB2 . 17950 1 616 . 1 1 53 53 TRP HB3 H 1 3.036 0.020 . . . . . A 53 TRP HB3 . 17950 1 617 . 1 1 53 53 TRP HE1 H 1 10.725 0.020 . . . . . A 53 TRP HE1 . 17950 1 618 . 1 1 53 53 TRP C C 13 178.056 0.400 . . . . . A 53 TRP C . 17950 1 619 . 1 1 53 53 TRP CA C 13 59.505 0.400 . . . . . A 53 TRP CA . 17950 1 620 . 1 1 53 53 TRP CB C 13 30.004 0.400 . . . . . A 53 TRP CB . 17950 1 621 . 1 1 53 53 TRP N N 15 119.577 0.400 . . . . . A 53 TRP N . 17950 1 622 . 1 1 53 53 TRP NE1 N 15 130.592 0.400 . . . . . A 53 TRP NE1 . 17950 1 623 . 1 1 54 54 ARG H H 1 7.527 0.020 . . . . . A 54 ARG H . 17950 1 624 . 1 1 54 54 ARG HA H 1 3.721 0.020 . . . . . A 54 ARG HA . 17950 1 625 . 1 1 54 54 ARG HB2 H 1 1.798 0.020 . . . . . A 54 ARG HB2 . 17950 1 626 . 1 1 54 54 ARG HB3 H 1 1.798 0.020 . . . . . A 54 ARG HB3 . 17950 1 627 . 1 1 54 54 ARG HG2 H 1 1.636 0.020 . . . . . A 54 ARG HG2 . 17950 1 628 . 1 1 54 54 ARG HG3 H 1 1.430 0.020 . . . . . A 54 ARG HG3 . 17950 1 629 . 1 1 54 54 ARG HD2 H 1 3.053 0.020 . . . . . A 54 ARG HD2 . 17950 1 630 . 1 1 54 54 ARG HD3 H 1 3.053 0.020 . . . . . A 54 ARG HD3 . 17950 1 631 . 1 1 54 54 ARG C C 13 177.399 0.400 . . . . . A 54 ARG C . 17950 1 632 . 1 1 54 54 ARG CA C 13 59.030 0.400 . . . . . A 54 ARG CA . 17950 1 633 . 1 1 54 54 ARG CB C 13 29.401 0.400 . . . . . A 54 ARG CB . 17950 1 634 . 1 1 54 54 ARG CG C 13 27.125 0.400 . . . . . A 54 ARG CG . 17950 1 635 . 1 1 54 54 ARG CD C 13 43.217 0.400 . . . . . A 54 ARG CD . 17950 1 636 . 1 1 54 54 ARG N N 15 117.607 0.400 . . . . . A 54 ARG N . 17950 1 637 . 1 1 55 55 ASN H H 1 7.242 0.020 . . . . . A 55 ASN H . 17950 1 638 . 1 1 55 55 ASN HA H 1 4.387 0.020 . . . . . A 55 ASN HA . 17950 1 639 . 1 1 55 55 ASN HB2 H 1 2.621 0.020 . . . . . A 55 ASN HB2 . 17950 1 640 . 1 1 55 55 ASN HB3 H 1 2.609 0.020 . . . . . A 55 ASN HB3 . 17950 1 641 . 1 1 55 55 ASN C C 13 176.869 0.400 . . . . . A 55 ASN C . 17950 1 642 . 1 1 55 55 ASN CA C 13 55.320 0.400 . . . . . A 55 ASN CA . 17950 1 643 . 1 1 55 55 ASN CB C 13 39.679 0.400 . . . . . A 55 ASN CB . 17950 1 644 . 1 1 55 55 ASN N N 15 115.552 0.400 . . . . . A 55 ASN N . 17950 1 645 . 1 1 56 56 ILE H H 1 7.760 0.020 . . . . . A 56 ILE H . 17950 1 646 . 1 1 56 56 ILE HA H 1 3.768 0.020 . . . . . A 56 ILE HA . 17950 1 647 . 1 1 56 56 ILE HB H 1 1.410 0.020 . . . . . A 56 ILE HB . 17950 1 648 . 1 1 56 56 ILE HG12 H 1 1.032 0.020 . . . . . A 56 ILE HG12 . 17950 1 649 . 1 1 56 56 ILE HG13 H 1 0.877 0.020 . . . . . A 56 ILE HG13 . 17950 1 650 . 1 1 56 56 ILE HG21 H 1 0.357 0.020 . . . . . A 56 ILE HG21 . 17950 1 651 . 1 1 56 56 ILE HG22 H 1 0.357 0.020 . . . . . A 56 ILE HG22 . 17950 1 652 . 1 1 56 56 ILE HG23 H 1 0.357 0.020 . . . . . A 56 ILE HG23 . 17950 1 653 . 1 1 56 56 ILE HD11 H 1 0.535 0.020 . . . . . A 56 ILE HD11 . 17950 1 654 . 1 1 56 56 ILE HD12 H 1 0.535 0.020 . . . . . A 56 ILE HD12 . 17950 1 655 . 1 1 56 56 ILE HD13 H 1 0.535 0.020 . . . . . A 56 ILE HD13 . 17950 1 656 . 1 1 56 56 ILE C C 13 176.781 0.400 . . . . . A 56 ILE C . 17950 1 657 . 1 1 56 56 ILE CA C 13 62.932 0.400 . . . . . A 56 ILE CA . 17950 1 658 . 1 1 56 56 ILE CB C 13 38.341 0.400 . . . . . A 56 ILE CB . 17950 1 659 . 1 1 56 56 ILE CG1 C 13 27.267 0.400 . . . . . A 56 ILE CG1 . 17950 1 660 . 1 1 56 56 ILE CG2 C 13 16.904 0.400 . . . . . A 56 ILE CG2 . 17950 1 661 . 1 1 56 56 ILE CD1 C 13 14.061 0.400 . . . . . A 56 ILE CD1 . 17950 1 662 . 1 1 56 56 ILE N N 15 117.285 0.400 . . . . . A 56 ILE N . 17950 1 663 . 1 1 57 57 SER H H 1 7.635 0.020 . . . . . A 57 SER H . 17950 1 664 . 1 1 57 57 SER HA H 1 3.676 0.020 . . . . . A 57 SER HA . 17950 1 665 . 1 1 57 57 SER HB2 H 1 3.331 0.020 . . . . . A 57 SER HB2 . 17950 1 666 . 1 1 57 57 SER HB3 H 1 2.882 0.020 . . . . . A 57 SER HB3 . 17950 1 667 . 1 1 57 57 SER C C 13 174.964 0.400 . . . . . A 57 SER C . 17950 1 668 . 1 1 57 57 SER CA C 13 59.435 0.400 . . . . . A 57 SER CA . 17950 1 669 . 1 1 57 57 SER CB C 13 63.062 0.400 . . . . . A 57 SER CB . 17950 1 670 . 1 1 57 57 SER N N 15 116.184 0.400 . . . . . A 57 SER N . 17950 1 671 . 1 1 58 58 VAL H H 1 7.454 0.020 . . . . . A 58 VAL H . 17950 1 672 . 1 1 58 58 VAL HA H 1 3.959 0.020 . . . . . A 58 VAL HA . 17950 1 673 . 1 1 58 58 VAL HB H 1 2.053 0.020 . . . . . A 58 VAL HB . 17950 1 674 . 1 1 58 58 VAL HG11 H 1 0.819 0.020 . . . . . A 58 VAL HG11 . 17950 1 675 . 1 1 58 58 VAL HG12 H 1 0.819 0.020 . . . . . A 58 VAL HG12 . 17950 1 676 . 1 1 58 58 VAL HG13 H 1 0.819 0.020 . . . . . A 58 VAL HG13 . 17950 1 677 . 1 1 58 58 VAL HG21 H 1 0.834 0.020 . . . . . A 58 VAL HG21 . 17950 1 678 . 1 1 58 58 VAL HG22 H 1 0.834 0.020 . . . . . A 58 VAL HG22 . 17950 1 679 . 1 1 58 58 VAL HG23 H 1 0.834 0.020 . . . . . A 58 VAL HG23 . 17950 1 680 . 1 1 58 58 VAL C C 13 176.787 0.400 . . . . . A 58 VAL C . 17950 1 681 . 1 1 58 58 VAL CA C 13 63.249 0.400 . . . . . A 58 VAL CA . 17950 1 682 . 1 1 58 58 VAL CB C 13 31.964 0.400 . . . . . A 58 VAL CB . 17950 1 683 . 1 1 58 58 VAL CG1 C 13 20.858 0.400 . . . . . A 58 VAL CG1 . 17950 1 684 . 1 1 58 58 VAL CG2 C 13 20.661 0.400 . . . . . A 58 VAL CG2 . 17950 1 685 . 1 1 58 58 VAL N N 15 119.671 0.400 . . . . . A 58 VAL N . 17950 1 686 . 1 1 59 59 THR H H 1 7.681 0.020 . . . . . A 59 THR H . 17950 1 687 . 1 1 59 59 THR HA H 1 3.924 0.020 . . . . . A 59 THR HA . 17950 1 688 . 1 1 59 59 THR HB H 1 4.033 0.020 . . . . . A 59 THR HB . 17950 1 689 . 1 1 59 59 THR HG21 H 1 1.005 0.020 . . . . . A 59 THR HG21 . 17950 1 690 . 1 1 59 59 THR HG22 H 1 1.005 0.020 . . . . . A 59 THR HG22 . 17950 1 691 . 1 1 59 59 THR HG23 H 1 1.005 0.020 . . . . . A 59 THR HG23 . 17950 1 692 . 1 1 59 59 THR C C 13 174.839 0.400 . . . . . A 59 THR C . 17950 1 693 . 1 1 59 59 THR CA C 13 62.616 0.400 . . . . . A 59 THR CA . 17950 1 694 . 1 1 59 59 THR CB C 13 69.358 0.400 . . . . . A 59 THR CB . 17950 1 695 . 1 1 59 59 THR CG2 C 13 21.485 0.400 . . . . . A 59 THR CG2 . 17950 1 696 . 1 1 59 59 THR N N 15 114.912 0.400 . . . . . A 59 THR N . 17950 1 697 . 1 1 60 60 ALA H H 1 7.939 0.020 . . . . . A 60 ALA H . 17950 1 698 . 1 1 60 60 ALA HA H 1 4.094 0.020 . . . . . A 60 ALA HA . 17950 1 699 . 1 1 60 60 ALA HB1 H 1 1.165 0.020 . . . . . A 60 ALA HB1 . 17950 1 700 . 1 1 60 60 ALA HB2 H 1 1.165 0.020 . . . . . A 60 ALA HB2 . 17950 1 701 . 1 1 60 60 ALA HB3 H 1 1.165 0.020 . . . . . A 60 ALA HB3 . 17950 1 702 . 1 1 60 60 ALA C C 13 177.636 0.400 . . . . . A 60 ALA C . 17950 1 703 . 1 1 60 60 ALA CA C 13 52.909 0.400 . . . . . A 60 ALA CA . 17950 1 704 . 1 1 60 60 ALA CB C 13 18.757 0.400 . . . . . A 60 ALA CB . 17950 1 705 . 1 1 60 60 ALA N N 15 124.969 0.400 . . . . . A 60 ALA N . 17950 1 706 . 1 1 61 61 LEU H H 1 7.812 0.020 . . . . . A 61 LEU H . 17950 1 707 . 1 1 61 61 LEU HA H 1 4.150 0.020 . . . . . A 61 LEU HA . 17950 1 708 . 1 1 61 61 LEU HB2 H 1 1.420 0.020 . . . . . A 61 LEU HB2 . 17950 1 709 . 1 1 61 61 LEU HB3 H 1 1.325 0.020 . . . . . A 61 LEU HB3 . 17950 1 710 . 1 1 61 61 LEU HG H 1 1.390 0.020 . . . . . A 61 LEU HG . 17950 1 711 . 1 1 61 61 LEU HD11 H 1 0.770 0.020 . . . . . A 61 LEU HD11 . 17950 1 712 . 1 1 61 61 LEU HD12 H 1 0.770 0.020 . . . . . A 61 LEU HD12 . 17950 1 713 . 1 1 61 61 LEU HD13 H 1 0.770 0.020 . . . . . A 61 LEU HD13 . 17950 1 714 . 1 1 61 61 LEU HD21 H 1 0.700 0.020 . . . . . A 61 LEU HD21 . 17950 1 715 . 1 1 61 61 LEU HD22 H 1 0.700 0.020 . . . . . A 61 LEU HD22 . 17950 1 716 . 1 1 61 61 LEU HD23 H 1 0.700 0.020 . . . . . A 61 LEU HD23 . 17950 1 717 . 1 1 61 61 LEU C C 13 177.260 0.400 . . . . . A 61 LEU C . 17950 1 718 . 1 1 61 61 LEU CA C 13 55.183 0.400 . . . . . A 61 LEU CA . 17950 1 719 . 1 1 61 61 LEU CB C 13 41.901 0.400 . . . . . A 61 LEU CB . 17950 1 720 . 1 1 61 61 LEU CG C 13 26.860 0.400 . . . . . A 61 LEU CG . 17950 1 721 . 1 1 61 61 LEU CD1 C 13 24.790 0.400 . . . . . A 61 LEU CD1 . 17950 1 722 . 1 1 61 61 LEU CD2 C 13 23.249 0.400 . . . . . A 61 LEU CD2 . 17950 1 723 . 1 1 61 61 LEU N N 15 119.572 0.400 . . . . . A 61 LEU N . 17950 1 724 . 1 1 62 62 TRP H H 1 7.851 0.020 . . . . . A 62 TRP H . 17950 1 725 . 1 1 62 62 TRP HA H 1 4.617 0.020 . . . . . A 62 TRP HA . 17950 1 726 . 1 1 62 62 TRP HB2 H 1 3.247 0.020 . . . . . A 62 TRP HB2 . 17950 1 727 . 1 1 62 62 TRP HB3 H 1 3.177 0.020 . . . . . A 62 TRP HB3 . 17950 1 728 . 1 1 62 62 TRP HE1 H 1 10.390 0.020 . . . . . A 62 TRP HE1 . 17950 1 729 . 1 1 62 62 TRP C C 13 176.752 0.400 . . . . . A 62 TRP C . 17950 1 730 . 1 1 62 62 TRP CA C 13 57.262 0.400 . . . . . A 62 TRP CA . 17950 1 731 . 1 1 62 62 TRP CB C 13 29.579 0.400 . . . . . A 62 TRP CB . 17950 1 732 . 1 1 62 62 TRP N N 15 120.635 0.400 . . . . . A 62 TRP N . 17950 1 733 . 1 1 62 62 TRP NE1 N 15 131.411 0.400 . . . . . A 62 TRP NE1 . 17950 1 734 . 1 1 63 63 GLY H H 1 8.132 0.020 . . . . . A 63 GLY H . 17950 1 735 . 1 1 63 63 GLY HA2 H 1 3.870 0.020 . . . . . A 63 GLY HA2 . 17950 1 736 . 1 1 63 63 GLY HA3 H 1 3.780 0.020 . . . . . A 63 GLY HA3 . 17950 1 737 . 1 1 63 63 GLY C C 13 173.238 0.400 . . . . . A 63 GLY C . 17950 1 738 . 1 1 63 63 GLY CA C 13 45.357 0.400 . . . . . A 63 GLY CA . 17950 1 739 . 1 1 63 63 GLY N N 15 110.695 0.400 . . . . . A 63 GLY N . 17950 1 740 . 1 1 64 64 SER H H 1 7.718 0.020 . . . . . A 64 SER H . 17950 1 741 . 1 1 64 64 SER HA H 1 4.187 0.020 . . . . . A 64 SER HA . 17950 1 742 . 1 1 64 64 SER HB2 H 1 3.746 0.020 . . . . . A 64 SER HB2 . 17950 1 743 . 1 1 64 64 SER HB3 H 1 3.746 0.020 . . . . . A 64 SER HB3 . 17950 1 744 . 1 1 64 64 SER CA C 13 59.834 0.400 . . . . . A 64 SER CA . 17950 1 745 . 1 1 64 64 SER CB C 13 64.856 0.400 . . . . . A 64 SER CB . 17950 1 746 . 1 1 64 64 SER N N 15 121.035 0.400 . . . . . A 64 SER N . 17950 1 stop_ save_