data_17321 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17321 _Entry.Title ; New high resolution NMR structure of gpW (W protein of bacteriophage lambda) at neutral pH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-24 _Entry.Accession_date 2010-11-24 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Lorenzo Sborgi . . . 17321 2 Abhinav Verma . . . 17321 3 Victor Munoz . . . 17321 4 Eva 'de Alba' . . . 17321 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' . 17321 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'downhill protein folding' . 17321 'fast protein folding' . 17321 'folding simulations' . 17321 gpW . 17321 NMR . 17321 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17321 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 203 17321 '15N chemical shifts' 61 17321 '1H chemical shifts' 423 17321 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 . . 2012-03-13 2010-11-24 update BMRB 'update entry citation' 17321 1 . . 2011-11-07 2010-11-24 original author 'original release' 17321 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17322 '(W protein of bacteriophage lambda) at acidic pH' 17321 PDB 2L6Q 'BMRB Entry Tracking System' 17321 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17321 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22087227 _Citation.Full_citation . _Citation.Title 'Revisiting the NMR structure of the ultrafast downhill folding protein gpW from bacteriophage .' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 6 _Citation.Journal_issue 11 _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 e26409 _Citation.Page_last e26409 _Citation.Year 2011 _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 Lorenzo Sborgi . . . 17321 1 2 Abhinav Verma . . . 17321 1 3 Victor Munoz . . . 17321 1 4 Eva 'de Alba' . . . 17321 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17321 _Assembly.ID 1 _Assembly.Name 'W protein of bacteriophage lambda' _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 'W protein of bacteriophage lambda' 1 $gpW A . yes native no no . . . 17321 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gpW _Entity.Sf_category entity _Entity.Sf_framecode gpW _Entity.Entry_ID 17321 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name gpW _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 ; MVRQEELAAARAALHDLMTG KRVATVQKDGRRVEFTATSV SDLKKYIAELEVQTGMTQRR RG ; _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 62 _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 6989.108 _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 BMRB 17322 . gpW . . . . . 100.00 62 100.00 100.00 1.78e-34 . . . . 17321 1 2 no PDB 1HYW . "Solution Structure Of Bacteriophage Lambda Gpw" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 3 no PDB 2L6Q . "New High Resolution Nmr Structure Of Gpw (w Protein Of Bacteriophage Lambda) At Neutral Ph" . . . . . 100.00 62 100.00 100.00 1.78e-34 . . . . 17321 1 4 no PDB 2L6R . "High Resolution Nmr Structure Of Gpw (W Protein Of Bacteriophage Lambda) At Acidic Ph" . . . . . 100.00 62 100.00 100.00 1.78e-34 . . . . 17321 1 5 no DBJ BAG76119 . "putative phage head-tail joining protein [Escherichia coli SE11]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 6 no DBJ BAG77589 . "putative phage head-tail joining protein [Escherichia coli SE11]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 7 no DBJ BAI23937 . "putative head-tail joining protein [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 8 no DBJ BAI29406 . "putative head-tail joining protein [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 9 no DBJ GAL55727 . "putative head-to-tail joining protein W [Escherichia albertii NBRC 107761]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 10 no EMBL CAP75664 . "head-to-tail joining protein [Escherichia coli LF82]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 11 no EMBL CAQ31249 . "enterobacteria phage lambda, head-tail joining protein [Escherichia coli BL21(DE3)]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 12 no EMBL CAQ97648 . "Head-to-tail joining protein W (gpW) from bacteriophage origin [Escherichia coli IAI1]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 13 no EMBL CAQ98444 . "Head-to-tail joining protein W (gpW) from bacteriophage origin [Escherichia coli IAI1]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 14 no EMBL CAR11829 . "Head-to-tail joining protein W (gpW) from bacteriophage origin [Escherichia coli UMN026]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 15 no GB AAA96535 . "W (head-tail joining;68) [Enterobacteria phage lambda]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 16 no GB AAG55981 . "putative head-tail joining protein of prophage CP-933X [Escherichia coli O157:H7 str. EDL933]" . . . . . 72.58 51 97.78 97.78 3.69e-21 . . . . 17321 1 17 no GB AAN81624 . "Putative head-tail joining protein of prophage [Escherichia coli CFT073]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 18 no GB AAZ89070 . "putative head-tail joining protein of prophage [Shigella sonnei Ss046]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 19 no GB ABG69179 . "head-to-tail joining protein W [Escherichia coli 536]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 20 no REF NP_040582 . "head-tail joining protein [Enterobacteria phage lambda]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 21 no REF WP_000198149 . "MULTISPECIES: Lambda prophage-derived head-to-tail joining protein W [Bacteria]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 22 no REF WP_000246867 . "Head-to-tail joining protein W [Escherichia coli]" . . . . . 64.52 46 97.50 100.00 1.49e-17 . . . . 17321 1 23 no REF WP_001571330 . "lambda prophage-derived head-to-tail joining protein W [Escherichia coli]" . . . . . 98.39 61 98.36 98.36 6.26e-33 . . . . 17321 1 24 no REF WP_001657975 . "head-to-tail joining protein W, partial [Escherichia coli]" . . . . . 100.00 62 98.39 98.39 8.33e-34 . . . . 17321 1 25 no SP P68659 . "RecName: Full=Lambda prophage-derived head-to-tail joining protein W; Short=gpW" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 1 26 no SP P68660 . "RecName: Full=Head-to-tail joining protein W; Short=gpW" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17321 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 . 17321 1 2 . VAL . 17321 1 3 . ARG . 17321 1 4 . GLN . 17321 1 5 . GLU . 17321 1 6 . GLU . 17321 1 7 . LEU . 17321 1 8 . ALA . 17321 1 9 . ALA . 17321 1 10 . ALA . 17321 1 11 . ARG . 17321 1 12 . ALA . 17321 1 13 . ALA . 17321 1 14 . LEU . 17321 1 15 . HIS . 17321 1 16 . ASP . 17321 1 17 . LEU . 17321 1 18 . MET . 17321 1 19 . THR . 17321 1 20 . GLY . 17321 1 21 . LYS . 17321 1 22 . ARG . 17321 1 23 . VAL . 17321 1 24 . ALA . 17321 1 25 . THR . 17321 1 26 . VAL . 17321 1 27 . GLN . 17321 1 28 . LYS . 17321 1 29 . ASP . 17321 1 30 . GLY . 17321 1 31 . ARG . 17321 1 32 . ARG . 17321 1 33 . VAL . 17321 1 34 . GLU . 17321 1 35 . PHE . 17321 1 36 . THR . 17321 1 37 . ALA . 17321 1 38 . THR . 17321 1 39 . SER . 17321 1 40 . VAL . 17321 1 41 . SER . 17321 1 42 . ASP . 17321 1 43 . LEU . 17321 1 44 . LYS . 17321 1 45 . LYS . 17321 1 46 . TYR . 17321 1 47 . ILE . 17321 1 48 . ALA . 17321 1 49 . GLU . 17321 1 50 . LEU . 17321 1 51 . GLU . 17321 1 52 . VAL . 17321 1 53 . GLN . 17321 1 54 . THR . 17321 1 55 . GLY . 17321 1 56 . MET . 17321 1 57 . THR . 17321 1 58 . GLN . 17321 1 59 . ARG . 17321 1 60 . ARG . 17321 1 61 . ARG . 17321 1 62 . GLY . 17321 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 17321 1 . VAL 2 2 17321 1 . ARG 3 3 17321 1 . GLN 4 4 17321 1 . GLU 5 5 17321 1 . GLU 6 6 17321 1 . LEU 7 7 17321 1 . ALA 8 8 17321 1 . ALA 9 9 17321 1 . ALA 10 10 17321 1 . ARG 11 11 17321 1 . ALA 12 12 17321 1 . ALA 13 13 17321 1 . LEU 14 14 17321 1 . HIS 15 15 17321 1 . ASP 16 16 17321 1 . LEU 17 17 17321 1 . MET 18 18 17321 1 . THR 19 19 17321 1 . GLY 20 20 17321 1 . LYS 21 21 17321 1 . ARG 22 22 17321 1 . VAL 23 23 17321 1 . ALA 24 24 17321 1 . THR 25 25 17321 1 . VAL 26 26 17321 1 . GLN 27 27 17321 1 . LYS 28 28 17321 1 . ASP 29 29 17321 1 . GLY 30 30 17321 1 . ARG 31 31 17321 1 . ARG 32 32 17321 1 . VAL 33 33 17321 1 . GLU 34 34 17321 1 . PHE 35 35 17321 1 . THR 36 36 17321 1 . ALA 37 37 17321 1 . THR 38 38 17321 1 . SER 39 39 17321 1 . VAL 40 40 17321 1 . SER 41 41 17321 1 . ASP 42 42 17321 1 . LEU 43 43 17321 1 . LYS 44 44 17321 1 . LYS 45 45 17321 1 . TYR 46 46 17321 1 . ILE 47 47 17321 1 . ALA 48 48 17321 1 . GLU 49 49 17321 1 . LEU 50 50 17321 1 . GLU 51 51 17321 1 . VAL 52 52 17321 1 . GLN 53 53 17321 1 . THR 54 54 17321 1 . GLY 55 55 17321 1 . MET 56 56 17321 1 . THR 57 57 17321 1 . GLN 58 58 17321 1 . ARG 59 59 17321 1 . ARG 60 60 17321 1 . ARG 61 61 17321 1 . GLY 62 62 17321 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 17321 _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 $gpW . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 17321 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 17321 _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 $gpW . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pBAT vector' . . . . . . 17321 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17321 _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 gpW '[U-13C; U-15N]' . . 1 $gpW . . 1 . . mM . . . . 17321 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17321 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17321 1 4 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17321 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17321 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 gpW '[U-13C; U-15N]' . . 1 $gpW . . 1 . . mM . . . . 17321 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17321 2 3 'phosphate buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17321 2 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 17321 _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' 20 . mM 17321 1 pH 6.5 . pH 17321 1 pressure 1 . atm 17321 1 temperature 294 . K 17321 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17321 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17321 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17321 1 processing 17321 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 17321 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Garrett . . 17321 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17321 2 'peak picking' 17321 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17321 _Software.ID 3 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 17321 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17321 3 refinement 17321 3 'structure solution' 17321 3 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 17321 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17321 _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 Avance . 600 . . . 17321 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 17321 _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 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17321 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17321 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17321 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17321 1 5 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17321 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17321 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17321 1 8 '4D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17321 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 17321 _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 . . . . . . . . . 17321 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17321 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17321 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 17321 _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' . . . 17321 1 2 '3D CBCA(CO)NH' . . . 17321 1 3 '3D HNCACB' . . . 17321 1 4 '3D C(CO)NH' . . . 17321 1 5 '2D 1H-1H TOCSY' . . . 17321 1 6 '3D HCCH-TOCSY' . . . 17321 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 2 2 VAL H H 1 8.5900 0.0600 . 1 . . . . 2 VAL HN . 17321 1 2 . 1 1 2 2 VAL HA H 1 4.3920 0.0600 . 1 . . . . 2 VAL HA . 17321 1 3 . 1 1 2 2 VAL HB H 1 2.2440 0.0600 . 1 . . . . 2 VAL HB . 17321 1 4 . 1 1 2 2 VAL HG11 H 1 1.0620 0.0600 . 1 . . . . 2 VAL HG1# . 17321 1 5 . 1 1 2 2 VAL HG12 H 1 1.0620 0.0600 . 1 . . . . 2 VAL HG1# . 17321 1 6 . 1 1 2 2 VAL HG13 H 1 1.0620 0.0600 . 1 . . . . 2 VAL HG1# . 17321 1 7 . 1 1 2 2 VAL HG21 H 1 1.0710 0.0600 . 1 . . . . 2 VAL HG2# . 17321 1 8 . 1 1 2 2 VAL HG22 H 1 1.0710 0.0600 . 1 . . . . 2 VAL HG2# . 17321 1 9 . 1 1 2 2 VAL HG23 H 1 1.0710 0.0600 . 1 . . . . 2 VAL HG2# . 17321 1 10 . 1 1 2 2 VAL CA C 13 62.3570 0.2928 . 1 . . . . 2 VAL CA . 17321 1 11 . 1 1 2 2 VAL CB C 13 32.6350 0.2928 . 1 . . . . 2 VAL CB . 17321 1 12 . 1 1 2 2 VAL CG1 C 13 21.4190 0.2928 . 2 . . . . 2 VAL CG1 . 17321 1 13 . 1 1 2 2 VAL CG2 C 13 20.6140 0.2928 . 2 . . . . 2 VAL CG2 . 17321 1 14 . 1 1 2 2 VAL N N 15 122.4220 0.1167 . 1 . . . . 2 VAL N . 17321 1 15 . 1 1 3 3 ARG H H 1 8.8626 0.0600 . 1 . . . . 3 ARG HN . 17321 1 16 . 1 1 3 3 ARG HA H 1 4.4320 0.0600 . 1 . . . . 3 ARG HA . 17321 1 17 . 1 1 3 3 ARG HB2 H 1 1.9880 0.0600 . 1 . . . . 3 ARG HB# . 17321 1 18 . 1 1 3 3 ARG HB3 H 1 1.9880 0.0600 . 1 . . . . 3 ARG HB# . 17321 1 19 . 1 1 3 3 ARG HG2 H 1 1.7766 0.0600 . 1 . . . . 3 ARG HG# . 17321 1 20 . 1 1 3 3 ARG HG3 H 1 1.7766 0.0600 . 1 . . . . 3 ARG HG# . 17321 1 21 . 1 1 3 3 ARG HD2 H 1 3.2765 0.0600 . 1 . . . . 3 ARG HD# . 17321 1 22 . 1 1 3 3 ARG HD3 H 1 3.2765 0.0600 . 1 . . . . 3 ARG HD# . 17321 1 23 . 1 1 3 3 ARG CA C 13 57.3560 0.2928 . 1 . . . . 3 ARG CA . 17321 1 24 . 1 1 3 3 ARG CB C 13 30.3100 0.2928 . 1 . . . . 3 ARG CB . 17321 1 25 . 1 1 3 3 ARG CG C 13 27.3220 0.2928 . 1 . . . . 3 ARG CG . 17321 1 26 . 1 1 3 3 ARG CD C 13 43.1180 0.2928 . 1 . . . . 3 ARG CD . 17321 1 27 . 1 1 3 3 ARG N N 15 124.7041 0.1167 . 1 . . . . 3 ARG N . 17321 1 28 . 1 1 4 4 GLN H H 1 8.7714 0.0600 . 1 . . . . 4 GLN HN . 17321 1 29 . 1 1 4 4 GLN HA H 1 4.0940 0.0600 . 1 . . . . 4 GLN HA . 17321 1 30 . 1 1 4 4 GLN HB2 H 1 2.1740 0.0600 . 1 . . . . 4 GLN HB# . 17321 1 31 . 1 1 4 4 GLN HB3 H 1 2.1740 0.0600 . 1 . . . . 4 GLN HB# . 17321 1 32 . 1 1 4 4 GLN HG2 H 1 2.5350 0.0600 . 1 . . . . 4 GLN HG# . 17321 1 33 . 1 1 4 4 GLN HG3 H 1 2.5350 0.0600 . 1 . . . . 4 GLN HG# . 17321 1 34 . 1 1 4 4 GLN CA C 13 59.0250 0.2928 . 1 . . . . 4 GLN CA . 17321 1 35 . 1 1 4 4 GLN CB C 13 28.0670 0.2928 . 1 . . . . 4 GLN CB . 17321 1 36 . 1 1 4 4 GLN CG C 13 33.6870 0.2928 . 1 . . . . 4 GLN CG . 17321 1 37 . 1 1 4 4 GLN N N 15 119.8738 0.1167 . 1 . . . . 4 GLN N . 17321 1 38 . 1 1 5 5 GLU H H 1 8.5363 0.0600 . 1 . . . . 5 GLU HN . 17321 1 39 . 1 1 5 5 GLU HA H 1 4.2130 0.0600 . 1 . . . . 5 GLU HA . 17321 1 40 . 1 1 5 5 GLU HB2 H 1 2.1660 0.0600 . 1 . . . . 5 GLU HB# . 17321 1 41 . 1 1 5 5 GLU HB3 H 1 2.1660 0.0600 . 1 . . . . 5 GLU HB# . 17321 1 42 . 1 1 5 5 GLU HG2 H 1 2.4140 0.0600 . 1 . . . . 5 GLU HG# . 17321 1 43 . 1 1 5 5 GLU HG3 H 1 2.4140 0.0600 . 1 . . . . 5 GLU HG# . 17321 1 44 . 1 1 5 5 GLU CA C 13 59.2840 0.2928 . 1 . . . . 5 GLU CA . 17321 1 45 . 1 1 5 5 GLU CB C 13 29.0770 0.2928 . 1 . . . . 5 GLU CB . 17321 1 46 . 1 1 5 5 GLU CG C 13 36.5730 0.2928 . 1 . . . . 5 GLU CG . 17321 1 47 . 1 1 5 5 GLU N N 15 120.0726 0.1167 . 1 . . . . 5 GLU N . 17321 1 48 . 1 1 6 6 GLU H H 1 8.2117 0.0600 . 1 . . . . 6 GLU HN . 17321 1 49 . 1 1 6 6 GLU HA H 1 4.1932 0.0600 . 1 . . . . 6 GLU HA . 17321 1 50 . 1 1 6 6 GLU HB2 H 1 2.2600 0.0600 . 1 . . . . 6 GLU HB# . 17321 1 51 . 1 1 6 6 GLU HB3 H 1 2.2600 0.0600 . 1 . . . . 6 GLU HB# . 17321 1 52 . 1 1 6 6 GLU HG2 H 1 2.4790 0.0600 . 1 . . . . 6 GLU HG# . 17321 1 53 . 1 1 6 6 GLU HG3 H 1 2.4790 0.0600 . 1 . . . . 6 GLU HG# . 17321 1 54 . 1 1 6 6 GLU CA C 13 59.2650 0.2928 . 1 . . . . 6 GLU CA . 17321 1 55 . 1 1 6 6 GLU CB C 13 29.6870 0.2928 . 1 . . . . 6 GLU CB . 17321 1 56 . 1 1 6 6 GLU CG C 13 37.2260 0.2928 . 1 . . . . 6 GLU CG . 17321 1 57 . 1 1 6 6 GLU N N 15 122.2351 0.1167 . 1 . . . . 6 GLU N . 17321 1 58 . 1 1 7 7 LEU H H 1 8.1260 0.0600 . 1 . . . . 7 LEU HN . 17321 1 59 . 1 1 7 7 LEU HA H 1 4.0910 0.0600 . 1 . . . . 7 LEU HA . 17321 1 60 . 1 1 7 7 LEU HB2 H 1 2.0110 0.0600 . 2 . . . . 7 LEU HB1 . 17321 1 61 . 1 1 7 7 LEU HB3 H 1 1.3950 0.0600 . 2 . . . . 7 LEU HB2 . 17321 1 62 . 1 1 7 7 LEU HG H 1 1.5370 0.0600 . 1 . . . . 7 LEU HG . 17321 1 63 . 1 1 7 7 LEU HD11 H 1 0.9580 0.0600 . 1 . . . . 7 LEU HD1# . 17321 1 64 . 1 1 7 7 LEU HD12 H 1 0.9580 0.0600 . 1 . . . . 7 LEU HD1# . 17321 1 65 . 1 1 7 7 LEU HD13 H 1 0.9580 0.0600 . 1 . . . . 7 LEU HD1# . 17321 1 66 . 1 1 7 7 LEU HD21 H 1 0.9220 0.0600 . 1 . . . . 7 LEU HD2# . 17321 1 67 . 1 1 7 7 LEU HD22 H 1 0.9220 0.0600 . 1 . . . . 7 LEU HD2# . 17321 1 68 . 1 1 7 7 LEU HD23 H 1 0.9220 0.0600 . 1 . . . . 7 LEU HD2# . 17321 1 69 . 1 1 7 7 LEU CA C 13 57.7410 0.2928 . 1 . . . . 7 LEU CA . 17321 1 70 . 1 1 7 7 LEU CB C 13 41.2500 0.2928 . 1 . . . . 7 LEU CB . 17321 1 71 . 1 1 7 7 LEU CG C 13 27.4270 0.2928 . 1 . . . . 7 LEU CG . 17321 1 72 . 1 1 7 7 LEU CD1 C 13 23.9560 0.2928 . 2 . . . . 7 LEU CD1 . 17321 1 73 . 1 1 7 7 LEU CD2 C 13 26.5160 0.2928 . 2 . . . . 7 LEU CD2 . 17321 1 74 . 1 1 7 7 LEU N N 15 121.5410 0.1167 . 1 . . . . 7 LEU N . 17321 1 75 . 1 1 8 8 ALA H H 1 8.0579 0.0600 . 1 . . . . 8 ALA HN . 17321 1 76 . 1 1 8 8 ALA HA H 1 4.0977 0.0600 . 1 . . . . 8 ALA HA . 17321 1 77 . 1 1 8 8 ALA HB1 H 1 1.5374 0.0600 . 1 . . . . 8 ALA HB# . 17321 1 78 . 1 1 8 8 ALA HB2 H 1 1.5374 0.0600 . 1 . . . . 8 ALA HB# . 17321 1 79 . 1 1 8 8 ALA HB3 H 1 1.5374 0.0600 . 1 . . . . 8 ALA HB# . 17321 1 80 . 1 1 8 8 ALA CA C 13 55.3360 0.2928 . 1 . . . . 8 ALA CA . 17321 1 81 . 1 1 8 8 ALA CB C 13 17.7160 0.2928 . 1 . . . . 8 ALA CB . 17321 1 82 . 1 1 8 8 ALA N N 15 121.3110 0.1167 . 1 . . . . 8 ALA N . 17321 1 83 . 1 1 9 9 ALA H H 1 8.1230 0.0600 . 1 . . . . 9 ALA HN . 17321 1 84 . 1 1 9 9 ALA HA H 1 4.3200 0.0600 . 1 . . . . 9 ALA HA . 17321 1 85 . 1 1 9 9 ALA HB1 H 1 1.6870 0.0600 . 1 . . . . 9 ALA HB# . 17321 1 86 . 1 1 9 9 ALA HB2 H 1 1.6870 0.0600 . 1 . . . . 9 ALA HB# . 17321 1 87 . 1 1 9 9 ALA HB3 H 1 1.6870 0.0600 . 1 . . . . 9 ALA HB# . 17321 1 88 . 1 1 9 9 ALA CA C 13 54.6900 0.2928 . 1 . . . . 9 ALA CA . 17321 1 89 . 1 1 9 9 ALA CB C 13 18.1410 0.2928 . 1 . . . . 9 ALA CB . 17321 1 90 . 1 1 9 9 ALA N N 15 120.6493 0.1167 . 1 . . . . 9 ALA N . 17321 1 91 . 1 1 10 10 ALA H H 1 8.2039 0.0600 . 1 . . . . 10 ALA HN . 17321 1 92 . 1 1 10 10 ALA HA H 1 4.1245 0.0600 . 1 . . . . 10 ALA HA . 17321 1 93 . 1 1 10 10 ALA HB1 H 1 1.4480 0.0600 . 1 . . . . 10 ALA HB# . 17321 1 94 . 1 1 10 10 ALA HB2 H 1 1.4480 0.0600 . 1 . . . . 10 ALA HB# . 17321 1 95 . 1 1 10 10 ALA HB3 H 1 1.4480 0.0600 . 1 . . . . 10 ALA HB# . 17321 1 96 . 1 1 10 10 ALA CA C 13 55.3250 0.2928 . 1 . . . . 10 ALA CA . 17321 1 97 . 1 1 10 10 ALA CB C 13 18.2960 0.2928 . 1 . . . . 10 ALA CB . 17321 1 98 . 1 1 10 10 ALA N N 15 123.4590 0.1167 . 1 . . . . 10 ALA N . 17321 1 99 . 1 1 11 11 ARG H H 1 8.4746 0.0600 . 1 . . . . 11 ARG HN . 17321 1 100 . 1 1 11 11 ARG HA H 1 3.9290 0.0600 . 1 . . . . 11 ARG HA . 17321 1 101 . 1 1 11 11 ARG HB2 H 1 1.8560 0.0600 . 1 . . . . 11 ARG HB# . 17321 1 102 . 1 1 11 11 ARG HB3 H 1 1.8560 0.0600 . 1 . . . . 11 ARG HB# . 17321 1 103 . 1 1 11 11 ARG HG2 H 1 1.6380 0.0600 . 2 . . . . 11 ARG HG1 . 17321 1 104 . 1 1 11 11 ARG HG3 H 1 1.8760 0.0600 . 2 . . . . 11 ARG HG2 . 17321 1 105 . 1 1 11 11 ARG HD2 H 1 3.1280 0.0600 . 1 . . . . 11 ARG HD# . 17321 1 106 . 1 1 11 11 ARG HD3 H 1 3.1280 0.0600 . 1 . . . . 11 ARG HD# . 17321 1 107 . 1 1 11 11 ARG CA C 13 60.1590 0.2928 . 1 . . . . 11 ARG CA . 17321 1 108 . 1 1 11 11 ARG CB C 13 30.0120 0.2928 . 1 . . . . 11 ARG CB . 17321 1 109 . 1 1 11 11 ARG CG C 13 28.6770 0.2928 . 1 . . . . 11 ARG CG . 17321 1 110 . 1 1 11 11 ARG CD C 13 43.5520 0.2928 . 1 . . . . 11 ARG CD . 17321 1 111 . 1 1 11 11 ARG N N 15 116.8696 0.1167 . 1 . . . . 11 ARG N . 17321 1 112 . 1 1 12 12 ALA H H 1 8.1067 0.0600 . 1 . . . . 12 ALA HN . 17321 1 113 . 1 1 12 12 ALA HA H 1 4.2650 0.0600 . 1 . . . . 12 ALA HA . 17321 1 114 . 1 1 12 12 ALA HB1 H 1 1.5970 0.0600 . 1 . . . . 12 ALA HB# . 17321 1 115 . 1 1 12 12 ALA HB2 H 1 1.5970 0.0600 . 1 . . . . 12 ALA HB# . 17321 1 116 . 1 1 12 12 ALA HB3 H 1 1.5970 0.0600 . 1 . . . . 12 ALA HB# . 17321 1 117 . 1 1 12 12 ALA CA C 13 54.9040 0.2928 . 1 . . . . 12 ALA CA . 17321 1 118 . 1 1 12 12 ALA CB C 13 17.5650 0.2928 . 1 . . . . 12 ALA CB . 17321 1 119 . 1 1 12 12 ALA N N 15 123.5482 0.1167 . 1 . . . . 12 ALA N . 17321 1 120 . 1 1 13 13 ALA H H 1 7.8568 0.0600 . 1 . . . . 13 ALA HN . 17321 1 121 . 1 1 13 13 ALA HA H 1 4.2490 0.0600 . 1 . . . . 13 ALA HA . 17321 1 122 . 1 1 13 13 ALA HB1 H 1 1.4710 0.0600 . 1 . . . . 13 ALA HB# . 17321 1 123 . 1 1 13 13 ALA HB2 H 1 1.4710 0.0600 . 1 . . . . 13 ALA HB# . 17321 1 124 . 1 1 13 13 ALA HB3 H 1 1.4710 0.0600 . 1 . . . . 13 ALA HB# . 17321 1 125 . 1 1 13 13 ALA CA C 13 54.7490 0.2928 . 1 . . . . 13 ALA CA . 17321 1 126 . 1 1 13 13 ALA CB C 13 17.9450 0.2928 . 1 . . . . 13 ALA CB . 17321 1 127 . 1 1 13 13 ALA N N 15 121.7604 0.1167 . 1 . . . . 13 ALA N . 17321 1 128 . 1 1 14 14 LEU H H 1 7.8558 0.0600 . 1 . . . . 14 LEU HN . 17321 1 129 . 1 1 14 14 LEU HA H 1 3.9090 0.0600 . 1 . . . . 14 LEU HA . 17321 1 130 . 1 1 14 14 LEU HB2 H 1 2.0100 0.0600 . 2 . . . . 14 LEU HB1 . 17321 1 131 . 1 1 14 14 LEU HB3 H 1 1.2480 0.0600 . 2 . . . . 14 LEU HB2 . 17321 1 132 . 1 1 14 14 LEU HG H 1 1.6440 0.0600 . 1 . . . . 14 LEU HG . 17321 1 133 . 1 1 14 14 LEU HD11 H 1 0.8620 0.0600 . 1 . . . . 14 LEU HD1# . 17321 1 134 . 1 1 14 14 LEU HD12 H 1 0.8620 0.0600 . 1 . . . . 14 LEU HD1# . 17321 1 135 . 1 1 14 14 LEU HD13 H 1 0.8620 0.0600 . 1 . . . . 14 LEU HD1# . 17321 1 136 . 1 1 14 14 LEU HD21 H 1 0.8980 0.0600 . 1 . . . . 14 LEU HD2# . 17321 1 137 . 1 1 14 14 LEU HD22 H 1 0.8980 0.0600 . 1 . . . . 14 LEU HD2# . 17321 1 138 . 1 1 14 14 LEU HD23 H 1 0.8980 0.0600 . 1 . . . . 14 LEU HD2# . 17321 1 139 . 1 1 14 14 LEU CA C 13 57.9060 0.2928 . 1 . . . . 14 LEU CA . 17321 1 140 . 1 1 14 14 LEU CB C 13 40.9080 0.2928 . 1 . . . . 14 LEU CB . 17321 1 141 . 1 1 14 14 LEU CG C 13 26.9300 0.2928 . 1 . . . . 14 LEU CG . 17321 1 142 . 1 1 14 14 LEU CD1 C 13 26.4500 0.2928 . 2 . . . . 14 LEU CD1 . 17321 1 143 . 1 1 14 14 LEU CD2 C 13 23.9360 0.2928 . 2 . . . . 14 LEU CD2 . 17321 1 144 . 1 1 14 14 LEU N N 15 118.2050 0.1167 . 1 . . . . 14 LEU N . 17321 1 145 . 1 1 15 15 HIS H H 1 8.0675 0.0600 . 1 . . . . 15 HIS HN . 17321 1 146 . 1 1 15 15 HIS HA H 1 4.2630 0.0600 . 1 . . . . 15 HIS HA . 17321 1 147 . 1 1 15 15 HIS HB2 H 1 3.2970 0.0600 . 2 . . . . 15 HIS HB1 . 17321 1 148 . 1 1 15 15 HIS HB3 H 1 3.5310 0.0600 . 2 . . . . 15 HIS HB2 . 17321 1 149 . 1 1 15 15 HIS HD2 H 1 7.4070 0.0600 . 1 . . . . 15 HIS HD2 . 17321 1 150 . 1 1 15 15 HIS CA C 13 59.4820 0.2928 . 1 . . . . 15 HIS CA . 17321 1 151 . 1 1 15 15 HIS CB C 13 27.8800 0.2928 . 1 . . . . 15 HIS CB . 17321 1 152 . 1 1 15 15 HIS CD2 C 13 120.1370 0.2928 . 1 . . . . 15 HIS CD2 . 17321 1 153 . 1 1 15 15 HIS N N 15 117.9393 0.1167 . 1 . . . . 15 HIS N . 17321 1 154 . 1 1 16 16 ASP H H 1 8.4612 0.0600 . 1 . . . . 16 ASP HN . 17321 1 155 . 1 1 16 16 ASP HA H 1 4.2430 0.0600 . 1 . . . . 16 ASP HA . 17321 1 156 . 1 1 16 16 ASP HB2 H 1 3.1740 0.0600 . 2 . . . . 16 ASP HB1 . 17321 1 157 . 1 1 16 16 ASP HB3 H 1 2.4110 0.0600 . 2 . . . . 16 ASP HB2 . 17321 1 158 . 1 1 16 16 ASP CA C 13 57.6200 0.2928 . 1 . . . . 16 ASP CA . 17321 1 159 . 1 1 16 16 ASP CB C 13 39.4100 0.2928 . 1 . . . . 16 ASP CB . 17321 1 160 . 1 1 16 16 ASP N N 15 121.5246 0.1167 . 1 . . . . 16 ASP N . 17321 1 161 . 1 1 17 17 LEU H H 1 7.9280 0.0600 . 1 . . . . 17 LEU HN . 17321 1 162 . 1 1 17 17 LEU HA H 1 4.3750 0.0600 . 1 . . . . 17 LEU HA . 17321 1 163 . 1 1 17 17 LEU HB2 H 1 1.9250 0.0600 . 2 . . . . 17 LEU HB1 . 17321 1 164 . 1 1 17 17 LEU HB3 H 1 1.2990 0.0600 . 2 . . . . 17 LEU HB2 . 17321 1 165 . 1 1 17 17 LEU HG H 1 1.7610 0.0600 . 1 . . . . 17 LEU HG . 17321 1 166 . 1 1 17 17 LEU HD11 H 1 0.6590 0.0600 . 1 . . . . 17 LEU HD1# . 17321 1 167 . 1 1 17 17 LEU HD12 H 1 0.6590 0.0600 . 1 . . . . 17 LEU HD1# . 17321 1 168 . 1 1 17 17 LEU HD13 H 1 0.6590 0.0600 . 1 . . . . 17 LEU HD1# . 17321 1 169 . 1 1 17 17 LEU HD21 H 1 0.6560 0.0600 . 1 . . . . 17 LEU HD2# . 17321 1 170 . 1 1 17 17 LEU HD22 H 1 0.6560 0.0600 . 1 . . . . 17 LEU HD2# . 17321 1 171 . 1 1 17 17 LEU HD23 H 1 0.6560 0.0600 . 1 . . . . 17 LEU HD2# . 17321 1 172 . 1 1 17 17 LEU CA C 13 57.3200 0.2928 . 1 . . . . 17 LEU CA . 17321 1 173 . 1 1 17 17 LEU CB C 13 41.8220 0.2928 . 1 . . . . 17 LEU CB . 17321 1 174 . 1 1 17 17 LEU CG C 13 26.2500 0.2928 . 1 . . . . 17 LEU CG . 17321 1 175 . 1 1 17 17 LEU CD1 C 13 22.1130 0.2928 . 2 . . . . 17 LEU CD1 . 17321 1 176 . 1 1 17 17 LEU CD2 C 13 26.3440 0.2928 . 2 . . . . 17 LEU CD2 . 17321 1 177 . 1 1 17 17 LEU N N 15 119.8794 0.1167 . 1 . . . . 17 LEU N . 17321 1 178 . 1 1 18 18 MET H H 1 8.4337 0.0600 . 1 . . . . 18 MET HN . 17321 1 179 . 1 1 18 18 MET HA H 1 4.5060 0.0600 . 1 . . . . 18 MET HA . 17321 1 180 . 1 1 18 18 MET HB2 H 1 2.2340 0.0600 . 2 . . . . 18 MET HB1 . 17321 1 181 . 1 1 18 18 MET HB3 H 1 2.6980 0.0600 . 2 . . . . 18 MET HB2 . 17321 1 182 . 1 1 18 18 MET HG2 H 1 2.6590 0.0600 . 1 . . . . 18 MET HG# . 17321 1 183 . 1 1 18 18 MET HG3 H 1 2.6590 0.0600 . 1 . . . . 18 MET HG# . 17321 1 184 . 1 1 18 18 MET HE1 H 1 2.1020 0.0600 . 1 . . . . 18 MET HE# . 17321 1 185 . 1 1 18 18 MET HE2 H 1 2.1020 0.0600 . 1 . . . . 18 MET HE# . 17321 1 186 . 1 1 18 18 MET HE3 H 1 2.1020 0.0600 . 1 . . . . 18 MET HE# . 17321 1 187 . 1 1 18 18 MET CA C 13 56.5540 0.2928 . 1 . . . . 18 MET CA . 17321 1 188 . 1 1 18 18 MET CB C 13 31.9150 0.2928 . 1 . . . . 18 MET CB . 17321 1 189 . 1 1 18 18 MET CG C 13 31.7950 0.2928 . 1 . . . . 18 MET CG . 17321 1 190 . 1 1 18 18 MET CE C 13 16.4080 0.2928 . 1 . . . . 18 MET CE . 17321 1 191 . 1 1 18 18 MET N N 15 117.8392 0.1167 . 1 . . . . 18 MET N . 17321 1 192 . 1 1 19 19 THR H H 1 7.6249 0.0600 . 1 . . . . 19 THR HN . 17321 1 193 . 1 1 19 19 THR HA H 1 4.5490 0.0600 . 1 . . . . 19 THR HA . 17321 1 194 . 1 1 19 19 THR HB H 1 4.4960 0.0600 . 1 . . . . 19 THR HB . 17321 1 195 . 1 1 19 19 THR HG21 H 1 0.9970 0.0600 . 1 . . . . 19 THR HG2 . 17321 1 196 . 1 1 19 19 THR HG22 H 1 0.9970 0.0600 . 1 . . . . 19 THR HG2 . 17321 1 197 . 1 1 19 19 THR HG23 H 1 0.9970 0.0600 . 1 . . . . 19 THR HG2 . 17321 1 198 . 1 1 19 19 THR CA C 13 61.2570 0.2928 . 1 . . . . 19 THR CA . 17321 1 199 . 1 1 19 19 THR CB C 13 69.1470 0.2928 . 1 . . . . 19 THR CB . 17321 1 200 . 1 1 19 19 THR CG2 C 13 21.1880 0.2928 . 1 . . . . 19 THR CG2 . 17321 1 201 . 1 1 19 19 THR N N 15 108.6410 0.1167 . 1 . . . . 19 THR N . 17321 1 202 . 1 1 20 20 GLY H H 1 7.5309 0.0600 . 1 . . . . 20 GLY HN . 17321 1 203 . 1 1 20 20 GLY HA2 H 1 4.4666 0.0600 . 2 . . . . 20 GLY HA1 . 17321 1 204 . 1 1 20 20 GLY HA3 H 1 3.6963 0.0600 . 2 . . . . 20 GLY HA2 . 17321 1 205 . 1 1 20 20 GLY CA C 13 45.7050 0.2928 . 1 . . . . 20 GLY CA . 17321 1 206 . 1 1 20 20 GLY N N 15 107.2862 0.1167 . 1 . . . . 20 GLY N . 17321 1 207 . 1 1 21 21 LYS H H 1 8.0710 0.0600 . 1 . . . . 21 LYS HN . 17321 1 208 . 1 1 21 21 LYS HA H 1 4.3930 0.0600 . 1 . . . . 21 LYS HA . 17321 1 209 . 1 1 21 21 LYS HB2 H 1 1.7870 0.0600 . 2 . . . . 21 LYS HB1 . 17321 1 210 . 1 1 21 21 LYS HB3 H 1 1.5410 0.0600 . 2 . . . . 21 LYS HB2 . 17321 1 211 . 1 1 21 21 LYS HG2 H 1 1.5580 0.0600 . 1 . . . . 21 LYS HG# . 17321 1 212 . 1 1 21 21 LYS HG3 H 1 1.5580 0.0600 . 1 . . . . 21 LYS HG# . 17321 1 213 . 1 1 21 21 LYS HD2 H 1 1.7410 0.0600 . 1 . . . . 21 LYS HD# . 17321 1 214 . 1 1 21 21 LYS HD3 H 1 1.7410 0.0600 . 1 . . . . 21 LYS HD# . 17321 1 215 . 1 1 21 21 LYS HE2 H 1 3.0870 0.0600 . 2 . . . . 21 LYS HE1 . 17321 1 216 . 1 1 21 21 LYS HE3 H 1 3.0530 0.0600 . 2 . . . . 21 LYS HE2 . 17321 1 217 . 1 1 21 21 LYS CA C 13 56.4760 0.2928 . 1 . . . . 21 LYS CA . 17321 1 218 . 1 1 21 21 LYS CB C 13 32.0130 0.2928 . 1 . . . . 21 LYS CB . 17321 1 219 . 1 1 21 21 LYS CG C 13 25.5000 0.2928 . 1 . . . . 21 LYS CG . 17321 1 220 . 1 1 21 21 LYS CD C 13 28.7460 0.2928 . 1 . . . . 21 LYS CD . 17321 1 221 . 1 1 21 21 LYS CE C 13 42.3120 0.2928 . 1 . . . . 21 LYS CE . 17321 1 222 . 1 1 21 21 LYS N N 15 121.5210 0.1167 . 1 . . . . 21 LYS N . 17321 1 223 . 1 1 22 22 ARG H H 1 8.6509 0.0600 . 1 . . . . 22 ARG HN . 17321 1 224 . 1 1 22 22 ARG HA H 1 4.1400 0.0600 . 1 . . . . 22 ARG HA . 17321 1 225 . 1 1 22 22 ARG HB2 H 1 1.9780 0.0600 . 1 . . . . 22 ARG HB# . 17321 1 226 . 1 1 22 22 ARG HB3 H 1 1.9780 0.0600 . 1 . . . . 22 ARG HB# . 17321 1 227 . 1 1 22 22 ARG HG2 H 1 1.7870 0.0600 . 1 . . . . 22 ARG HG# . 17321 1 228 . 1 1 22 22 ARG HG3 H 1 1.7870 0.0600 . 1 . . . . 22 ARG HG# . 17321 1 229 . 1 1 22 22 ARG HD2 H 1 3.3100 0.0600 . 1 . . . . 22 ARG HD# . 17321 1 230 . 1 1 22 22 ARG HD3 H 1 3.3100 0.0600 . 1 . . . . 22 ARG HD# . 17321 1 231 . 1 1 22 22 ARG CA C 13 58.1770 0.2928 . 1 . . . . 22 ARG CA . 17321 1 232 . 1 1 22 22 ARG CB C 13 30.9350 0.2928 . 1 . . . . 22 ARG CB . 17321 1 233 . 1 1 22 22 ARG CG C 13 27.3680 0.2928 . 1 . . . . 22 ARG CG . 17321 1 234 . 1 1 22 22 ARG CD C 13 42.9060 0.2928 . 1 . . . . 22 ARG CD . 17321 1 235 . 1 1 22 22 ARG N N 15 120.5699 0.1167 . 1 . . . . 22 ARG N . 17321 1 236 . 1 1 23 23 VAL H H 1 7.4849 0.0600 . 1 . . . . 23 VAL HN . 17321 1 237 . 1 1 23 23 VAL HA H 1 4.9170 0.0600 . 1 . . . . 23 VAL HA . 17321 1 238 . 1 1 23 23 VAL HB H 1 1.9680 0.0600 . 1 . . . . 23 VAL HB . 17321 1 239 . 1 1 23 23 VAL HG11 H 1 0.8970 0.0600 . 1 . . . . 23 VAL HG1# . 17321 1 240 . 1 1 23 23 VAL HG12 H 1 0.8970 0.0600 . 1 . . . . 23 VAL HG1# . 17321 1 241 . 1 1 23 23 VAL HG13 H 1 0.8970 0.0600 . 1 . . . . 23 VAL HG1# . 17321 1 242 . 1 1 23 23 VAL HG21 H 1 0.8370 0.0600 . 1 . . . . 23 VAL HG2# . 17321 1 243 . 1 1 23 23 VAL HG22 H 1 0.8370 0.0600 . 1 . . . . 23 VAL HG2# . 17321 1 244 . 1 1 23 23 VAL HG23 H 1 0.8370 0.0600 . 1 . . . . 23 VAL HG2# . 17321 1 245 . 1 1 23 23 VAL CA C 13 59.6230 0.2928 . 1 . . . . 23 VAL CA . 17321 1 246 . 1 1 23 23 VAL CB C 13 35.5240 0.2928 . 1 . . . . 23 VAL CB . 17321 1 247 . 1 1 23 23 VAL CG1 C 13 20.6010 0.2928 . 1 . . . . 23 VAL CG1 . 17321 1 248 . 1 1 23 23 VAL CG2 C 13 20.6010 0.2928 . 1 . . . . 23 VAL CG2 . 17321 1 249 . 1 1 23 23 VAL N N 15 114.5299 0.1167 . 1 . . . . 23 VAL N . 17321 1 250 . 1 1 24 24 ALA H H 1 8.8466 0.0600 . 1 . . . . 24 ALA HN . 17321 1 251 . 1 1 24 24 ALA HA H 1 4.8860 0.0600 . 1 . . . . 24 ALA HA . 17321 1 252 . 1 1 24 24 ALA HB1 H 1 1.4660 0.0600 . 1 . . . . 24 ALA HB# . 17321 1 253 . 1 1 24 24 ALA HB2 H 1 1.4660 0.0600 . 1 . . . . 24 ALA HB# . 17321 1 254 . 1 1 24 24 ALA HB3 H 1 1.4660 0.0600 . 1 . . . . 24 ALA HB# . 17321 1 255 . 1 1 24 24 ALA CA C 13 51.1540 0.2928 . 1 . . . . 24 ALA CA . 17321 1 256 . 1 1 24 24 ALA CB C 13 23.3230 0.2928 . 1 . . . . 24 ALA CB . 17321 1 257 . 1 1 24 24 ALA N N 15 127.1494 0.1167 . 1 . . . . 24 ALA N . 17321 1 258 . 1 1 25 25 THR H H 1 8.5342 0.0600 . 1 . . . . 25 THR HN . 17321 1 259 . 1 1 25 25 THR HA H 1 5.5400 0.0600 . 1 . . . . 25 THR HA . 17321 1 260 . 1 1 25 25 THR HB H 1 3.9770 0.0600 . 1 . . . . 25 THR HB . 17321 1 261 . 1 1 25 25 THR HG21 H 1 1.1330 0.0600 . 1 . . . . 25 THR HG2# . 17321 1 262 . 1 1 25 25 THR HG22 H 1 1.1330 0.0600 . 1 . . . . 25 THR HG2# . 17321 1 263 . 1 1 25 25 THR HG23 H 1 1.1330 0.0600 . 1 . . . . 25 THR HG2# . 17321 1 264 . 1 1 25 25 THR CA C 13 60.7890 0.2928 . 1 . . . . 25 THR CA . 17321 1 265 . 1 1 25 25 THR CB C 13 70.9890 0.2928 . 1 . . . . 25 THR CB . 17321 1 266 . 1 1 25 25 THR CG2 C 13 21.6280 0.2928 . 1 . . . . 25 THR CG2 . 17321 1 267 . 1 1 25 25 THR N N 15 114.4104 0.1167 . 1 . . . . 25 THR N . 17321 1 268 . 1 1 26 26 VAL H H 1 8.8431 0.0600 . 1 . . . . 26 VAL HN . 17321 1 269 . 1 1 26 26 VAL HA H 1 4.5930 0.0600 . 1 . . . . 26 VAL HA . 17321 1 270 . 1 1 26 26 VAL HB H 1 2.3660 0.0600 . 1 . . . . 26 VAL HB . 17321 1 271 . 1 1 26 26 VAL HG11 H 1 0.9660 0.0600 . 1 . . . . 26 VAL HG1# . 17321 1 272 . 1 1 26 26 VAL HG12 H 1 0.9660 0.0600 . 1 . . . . 26 VAL HG1# . 17321 1 273 . 1 1 26 26 VAL HG13 H 1 0.9660 0.0600 . 1 . . . . 26 VAL HG1# . 17321 1 274 . 1 1 26 26 VAL HG21 H 1 1.0240 0.0600 . 1 . . . . 26 VAL HG2# . 17321 1 275 . 1 1 26 26 VAL HG22 H 1 1.0240 0.0600 . 1 . . . . 26 VAL HG2# . 17321 1 276 . 1 1 26 26 VAL HG23 H 1 1.0240 0.0600 . 1 . . . . 26 VAL HG2# . 17321 1 277 . 1 1 26 26 VAL CA C 13 59.5020 0.2928 . 1 . . . . 26 VAL CA . 17321 1 278 . 1 1 26 26 VAL CB C 13 35.5060 0.2928 . 1 . . . . 26 VAL CB . 17321 1 279 . 1 1 26 26 VAL CG1 C 13 20.6770 0.2928 . 1 . . . . 26 VAL CG1 . 17321 1 280 . 1 1 26 26 VAL CG2 C 13 22.0670 0.2928 . 1 . . . . 26 VAL CG2 . 17321 1 281 . 1 1 26 26 VAL N N 15 118.4019 0.1167 . 1 . . . . 26 VAL N . 17321 1 282 . 1 1 27 27 GLN H H 1 8.5967 0.0600 . 1 . . . . 27 GLN HN . 17321 1 283 . 1 1 27 27 GLN HA H 1 4.9620 0.0600 . 1 . . . . 27 GLN HA . 17321 1 284 . 1 1 27 27 GLN HB2 H 1 1.9830 0.0600 . 1 . . . . 27 GLN HB# . 17321 1 285 . 1 1 27 27 GLN HB3 H 1 1.9830 0.0600 . 1 . . . . 27 GLN HB# . 17321 1 286 . 1 1 27 27 GLN HG2 H 1 2.2290 0.0600 . 1 . . . . 27 GLN HG# . 17321 1 287 . 1 1 27 27 GLN HG3 H 1 2.2290 0.0600 . 1 . . . . 27 GLN HG# . 17321 1 288 . 1 1 27 27 GLN CA C 13 54.4820 0.2928 . 1 . . . . 27 GLN CA . 17321 1 289 . 1 1 27 27 GLN CB C 13 29.2140 0.2928 . 1 . . . . 27 GLN CB . 17321 1 290 . 1 1 27 27 GLN CG C 13 33.5780 0.2928 . 1 . . . . 27 GLN CG . 17321 1 291 . 1 1 27 27 GLN N N 15 122.4368 0.1167 . 1 . . . . 27 GLN N . 17321 1 292 . 1 1 28 28 LYS H H 1 9.0189 0.0600 . 1 . . . . 28 LYS HN . 17321 1 293 . 1 1 28 28 LYS HA H 1 4.6380 0.0600 . 1 . . . . 28 LYS HA . 17321 1 294 . 1 1 28 28 LYS HB2 H 1 1.4620 0.0600 . 2 . . . . 28 LYS HB1 . 17321 1 295 . 1 1 28 28 LYS HB3 H 1 1.5980 0.0600 . 2 . . . . 28 LYS HB2 . 17321 1 296 . 1 1 28 28 LYS HG2 H 1 1.1590 0.0600 . 1 . . . . 28 LYS HG# . 17321 1 297 . 1 1 28 28 LYS HG3 H 1 1.1590 0.0600 . 1 . . . . 28 LYS HG# . 17321 1 298 . 1 1 28 28 LYS HD2 H 1 1.0080 0.0600 . 2 . . . . 28 LYS HD1 . 17321 1 299 . 1 1 28 28 LYS HD3 H 1 1.3750 0.0600 . 2 . . . . 28 LYS HD2 . 17321 1 300 . 1 1 28 28 LYS HE2 H 1 2.6640 0.0600 . 1 . . . . 28 LYS HE# . 17321 1 301 . 1 1 28 28 LYS HE3 H 1 2.6640 0.0600 . 1 . . . . 28 LYS HE# . 17321 1 302 . 1 1 28 28 LYS CA C 13 55.4100 0.2928 . 1 . . . . 28 LYS CA . 17321 1 303 . 1 1 28 28 LYS CB C 13 35.2040 0.2928 . 1 . . . . 28 LYS CB . 17321 1 304 . 1 1 28 28 LYS CG C 13 24.6920 0.2928 . 1 . . . . 28 LYS CG . 17321 1 305 . 1 1 28 28 LYS CD C 13 29.2900 0.2928 . 1 . . . . 28 LYS CD . 17321 1 306 . 1 1 28 28 LYS CE C 13 41.5620 0.2928 . 1 . . . . 28 LYS CE . 17321 1 307 . 1 1 28 28 LYS N N 15 127.4708 0.1167 . 1 . . . . 28 LYS N . 17321 1 308 . 1 1 29 29 ASP H H 1 9.4698 0.0600 . 1 . . . . 29 ASP HN . 17321 1 309 . 1 1 29 29 ASP HA H 1 4.3353 0.0600 . 1 . . . . 29 ASP HA . 17321 1 310 . 1 1 29 29 ASP HB2 H 1 2.9483 0.0600 . 2 . . . . 29 ASP HB1 . 17321 1 311 . 1 1 29 29 ASP HB3 H 1 2.6883 0.0600 . 2 . . . . 29 ASP HB2 . 17321 1 312 . 1 1 29 29 ASP CA C 13 55.3090 0.2928 . 1 . . . . 29 ASP CA . 17321 1 313 . 1 1 29 29 ASP CB C 13 39.7420 0.2928 . 1 . . . . 29 ASP CB . 17321 1 314 . 1 1 29 29 ASP N N 15 127.4311 0.1167 . 1 . . . . 29 ASP N . 17321 1 315 . 1 1 30 30 GLY H H 1 8.6828 0.0600 . 1 . . . . 30 GLY HN . 17321 1 316 . 1 1 30 30 GLY HA2 H 1 3.6546 0.0600 . 2 . . . . 30 GLY HA1 . 17321 1 317 . 1 1 30 30 GLY HA3 H 1 4.1376 0.0600 . 2 . . . . 30 GLY HA2 . 17321 1 318 . 1 1 30 30 GLY CA C 13 45.3320 0.2928 . 1 . . . . 30 GLY CA . 17321 1 319 . 1 1 30 30 GLY N N 15 103.4728 0.1167 . 1 . . . . 30 GLY N . 17321 1 320 . 1 1 31 31 ARG H H 1 7.8003 0.0600 . 1 . . . . 31 ARG HN . 17321 1 321 . 1 1 31 31 ARG HA H 1 4.6920 0.0600 . 1 . . . . 31 ARG HA . 17321 1 322 . 1 1 31 31 ARG HB2 H 1 1.7835 0.0600 . 1 . . . . 31 ARG HB# . 17321 1 323 . 1 1 31 31 ARG HB3 H 1 1.7835 0.0600 . 1 . . . . 31 ARG HB# . 17321 1 324 . 1 1 31 31 ARG HG2 H 1 1.5684 0.0600 . 1 . . . . 31 ARG HG# . 17321 1 325 . 1 1 31 31 ARG HG3 H 1 1.5684 0.0600 . 1 . . . . 31 ARG HG# . 17321 1 326 . 1 1 31 31 ARG HD2 H 1 3.1847 0.0600 . 1 . . . . 31 ARG HD# . 17321 1 327 . 1 1 31 31 ARG HD3 H 1 3.1847 0.0600 . 1 . . . . 31 ARG HD# . 17321 1 328 . 1 1 31 31 ARG CA C 13 54.0130 0.2928 . 1 . . . . 31 ARG CA . 17321 1 329 . 1 1 31 31 ARG CB C 13 32.7150 0.2928 . 1 . . . . 31 ARG CB . 17321 1 330 . 1 1 31 31 ARG CG C 13 26.6050 0.2928 . 1 . . . . 31 ARG CG . 17321 1 331 . 1 1 31 31 ARG CD C 13 43.2570 0.2928 . 1 . . . . 31 ARG CD . 17321 1 332 . 1 1 31 31 ARG N N 15 119.8307 0.1167 . 1 . . . . 31 ARG N . 17321 1 333 . 1 1 32 32 ARG H H 1 8.4529 0.0600 . 1 . . . . 32 ARG HN . 17321 1 334 . 1 1 32 32 ARG HA H 1 4.5310 0.0600 . 1 . . . . 32 ARG HA . 17321 1 335 . 1 1 32 32 ARG HB2 H 1 1.7050 0.0600 . 1 . . . . 32 ARG HB# . 17321 1 336 . 1 1 32 32 ARG HB3 H 1 1.7050 0.0600 . 1 . . . . 32 ARG HB# . 17321 1 337 . 1 1 32 32 ARG HG2 H 1 1.3700 0.0600 . 2 . . . . 32 ARG HG1 . 17321 1 338 . 1 1 32 32 ARG HG3 H 1 1.5760 0.0600 . 2 . . . . 32 ARG HG2 . 17321 1 339 . 1 1 32 32 ARG HD2 H 1 3.1618 0.0600 . 1 . . . . 32 ARG HD# . 17321 1 340 . 1 1 32 32 ARG HD3 H 1 3.1618 0.0600 . 1 . . . . 32 ARG HD# . 17321 1 341 . 1 1 32 32 ARG CA C 13 56.0100 0.2928 . 1 . . . . 32 ARG CA . 17321 1 342 . 1 1 32 32 ARG CB C 13 30.4170 0.2928 . 1 . . . . 32 ARG CB . 17321 1 343 . 1 1 32 32 ARG CG C 13 27.7200 0.2928 . 1 . . . . 32 ARG CG . 17321 1 344 . 1 1 32 32 ARG CD C 13 43.2270 0.2928 . 1 . . . . 32 ARG CD . 17321 1 345 . 1 1 32 32 ARG N N 15 122.4160 0.1167 . 1 . . . . 32 ARG N . 17321 1 346 . 1 1 33 33 VAL H H 1 9.0441 0.0600 . 1 . . . . 33 VAL HN . 17321 1 347 . 1 1 33 33 VAL HA H 1 4.1240 0.0600 . 1 . . . . 33 VAL HA . 17321 1 348 . 1 1 33 33 VAL HB H 1 1.7817 0.0600 . 1 . . . . 33 VAL HB . 17321 1 349 . 1 1 33 33 VAL HG11 H 1 0.7810 0.0600 . 1 . . . . 33 VAL HG1# . 17321 1 350 . 1 1 33 33 VAL HG12 H 1 0.7810 0.0600 . 1 . . . . 33 VAL HG1# . 17321 1 351 . 1 1 33 33 VAL HG13 H 1 0.7810 0.0600 . 1 . . . . 33 VAL HG1# . 17321 1 352 . 1 1 33 33 VAL HG21 H 1 0.4150 0.0600 . 1 . . . . 33 VAL HG2# . 17321 1 353 . 1 1 33 33 VAL HG22 H 1 0.4150 0.0600 . 1 . . . . 33 VAL HG2# . 17321 1 354 . 1 1 33 33 VAL HG23 H 1 0.4150 0.0600 . 1 . . . . 33 VAL HG2# . 17321 1 355 . 1 1 33 33 VAL CA C 13 61.5280 0.2928 . 1 . . . . 33 VAL CA . 17321 1 356 . 1 1 33 33 VAL CB C 13 33.8000 0.2928 . 1 . . . . 33 VAL CB . 17321 1 357 . 1 1 33 33 VAL CG1 C 13 21.6700 0.2928 . 1 . . . . 33 VAL CG1 . 17321 1 358 . 1 1 33 33 VAL CG2 C 13 21.6700 0.2928 . 1 . . . . 33 VAL CG2 . 17321 1 359 . 1 1 33 33 VAL N N 15 128.0083 0.1167 . 1 . . . . 33 VAL N . 17321 1 360 . 1 1 34 34 GLU H H 1 8.2338 0.0600 . 1 . . . . 34 GLU HN . 17321 1 361 . 1 1 34 34 GLU HA H 1 4.8480 0.0600 . 1 . . . . 34 GLU HA . 17321 1 362 . 1 1 34 34 GLU HB2 H 1 1.7810 0.0600 . 1 . . . . 34 GLU HB# . 17321 1 363 . 1 1 34 34 GLU HB3 H 1 1.7810 0.0600 . 1 . . . . 34 GLU HB# . 17321 1 364 . 1 1 34 34 GLU HG2 H 1 2.1290 0.0600 . 1 . . . . 34 GLU HG# . 17321 1 365 . 1 1 34 34 GLU HG3 H 1 2.1290 0.0600 . 1 . . . . 34 GLU HG# . 17321 1 366 . 1 1 34 34 GLU CA C 13 54.8180 0.2928 . 1 . . . . 34 GLU CA . 17321 1 367 . 1 1 34 34 GLU CB C 13 31.8290 0.2928 . 1 . . . . 34 GLU CB . 17321 1 368 . 1 1 34 34 GLU CG C 13 36.9190 0.2928 . 1 . . . . 34 GLU CG . 17321 1 369 . 1 1 34 34 GLU N N 15 124.0515 0.1167 . 1 . . . . 34 GLU N . 17321 1 370 . 1 1 35 35 PHE H H 1 9.1992 0.0600 . 1 . . . . 35 PHE HN . 17321 1 371 . 1 1 35 35 PHE HA H 1 4.8270 0.0600 . 1 . . . . 35 PHE HA . 17321 1 372 . 1 1 35 35 PHE HB2 H 1 2.9990 0.0600 . 2 . . . . 35 PHE HB1 . 17321 1 373 . 1 1 35 35 PHE HB3 H 1 2.6560 0.0600 . 2 . . . . 35 PHE HB2 . 17321 1 374 . 1 1 35 35 PHE HD1 H 1 7.3090 0.0600 . 1 . . . . 35 PHE HD1 . 17321 1 375 . 1 1 35 35 PHE HD2 H 1 7.3090 0.0600 . 1 . . . . 35 PHE HD2 . 17321 1 376 . 1 1 35 35 PHE HE1 H 1 7.1110 0.0600 . 1 . . . . 35 PHE HE1 . 17321 1 377 . 1 1 35 35 PHE HE2 H 1 7.1370 0.0600 . 1 . . . . 35 PHE HE2 . 17321 1 378 . 1 1 35 35 PHE HZ H 1 6.9350 0.0600 . 1 . . . . 35 PHE HZ . 17321 1 379 . 1 1 35 35 PHE CA C 13 57.2290 0.2928 . 1 . . . . 35 PHE CA . 17321 1 380 . 1 1 35 35 PHE CB C 13 42.7830 0.2928 . 1 . . . . 35 PHE CB . 17321 1 381 . 1 1 35 35 PHE CD1 C 13 132.3040 0.2928 . 1 . . . . 35 PHE CD1 . 17321 1 382 . 1 1 35 35 PHE CD2 C 13 132.3040 0.2928 . 1 . . . . 35 PHE CD2 . 17321 1 383 . 1 1 35 35 PHE CE1 C 13 130.9900 0.2928 . 1 . . . . 35 PHE CE1 . 17321 1 384 . 1 1 35 35 PHE CE2 C 13 130.9900 0.2928 . 1 . . . . 35 PHE CE2 . 17321 1 385 . 1 1 35 35 PHE CZ C 13 129.0870 0.2928 . 1 . . . . 35 PHE CZ . 17321 1 386 . 1 1 35 35 PHE N N 15 122.3729 0.1167 . 1 . . . . 35 PHE N . 17321 1 387 . 1 1 36 36 THR H H 1 8.2026 0.0600 . 1 . . . . 36 THR HN . 17321 1 388 . 1 1 36 36 THR HA H 1 5.0860 0.0600 . 1 . . . . 36 THR HA . 17321 1 389 . 1 1 36 36 THR HB H 1 4.6713 0.0600 . 1 . . . . 36 THR HB . 17321 1 390 . 1 1 36 36 THR HG21 H 1 1.3240 0.0600 . 1 . . . . 36 THR HG2 . 17321 1 391 . 1 1 36 36 THR HG22 H 1 1.3240 0.0600 . 1 . . . . 36 THR HG2 . 17321 1 392 . 1 1 36 36 THR HG23 H 1 1.3240 0.0600 . 1 . . . . 36 THR HG2 . 17321 1 393 . 1 1 36 36 THR CA C 13 59.6190 0.2928 . 1 . . . . 36 THR CA . 17321 1 394 . 1 1 36 36 THR CB C 13 72.3670 0.2928 . 1 . . . . 36 THR CB . 17321 1 395 . 1 1 36 36 THR CG2 C 13 21.2400 0.2928 . 1 . . . . 36 THR CG2 . 17321 1 396 . 1 1 36 36 THR N N 15 109.9180 0.1167 . 1 . . . . 36 THR N . 17321 1 397 . 1 1 37 37 ALA H H 1 9.1403 0.0600 . 1 . . . . 37 ALA HN . 17321 1 398 . 1 1 37 37 ALA HA H 1 4.1740 0.0600 . 1 . . . . 37 ALA HA . 17321 1 399 . 1 1 37 37 ALA HB1 H 1 1.6310 0.0600 . 1 . . . . 37 ALA HB# . 17321 1 400 . 1 1 37 37 ALA HB2 H 1 1.6310 0.0600 . 1 . . . . 37 ALA HB# . 17321 1 401 . 1 1 37 37 ALA HB3 H 1 1.6310 0.0600 . 1 . . . . 37 ALA HB# . 17321 1 402 . 1 1 37 37 ALA CA C 13 55.4400 0.2928 . 1 . . . . 37 ALA CA . 17321 1 403 . 1 1 37 37 ALA CB C 13 18.4030 0.2928 . 1 . . . . 37 ALA CB . 17321 1 404 . 1 1 37 37 ALA N N 15 121.5544 0.1167 . 1 . . . . 37 ALA N . 17321 1 405 . 1 1 38 38 THR H H 1 7.8977 0.0600 . 1 . . . . 38 THR HN . 17321 1 406 . 1 1 38 38 THR HA H 1 4.3670 0.0600 . 1 . . . . 38 THR HA . 17321 1 407 . 1 1 38 38 THR HB H 1 4.4260 0.0600 . 1 . . . . 38 THR HB . 17321 1 408 . 1 1 38 38 THR HG21 H 1 1.3410 0.0600 . 1 . . . . 38 THR HG2 . 17321 1 409 . 1 1 38 38 THR HG22 H 1 1.3410 0.0600 . 1 . . . . 38 THR HG2 . 17321 1 410 . 1 1 38 38 THR HG23 H 1 1.3410 0.0600 . 1 . . . . 38 THR HG2 . 17321 1 411 . 1 1 38 38 THR CA C 13 63.4910 0.2928 . 1 . . . . 38 THR CA . 17321 1 412 . 1 1 38 38 THR CB C 13 68.5140 0.2928 . 1 . . . . 38 THR CB . 17321 1 413 . 1 1 38 38 THR CG2 C 13 21.9110 0.2928 . 1 . . . . 38 THR CG2 . 17321 1 414 . 1 1 38 38 THR N N 15 106.8617 0.1167 . 1 . . . . 38 THR N . 17321 1 415 . 1 1 39 39 SER H H 1 8.1463 0.0600 . 1 . . . . 39 SER HN . 17321 1 416 . 1 1 39 39 SER HA H 1 5.2060 0.0600 . 1 . . . . 39 SER HA . 17321 1 417 . 1 1 39 39 SER HB2 H 1 4.0292 0.0600 . 2 . . . . 39 SER HB1 . 17321 1 418 . 1 1 39 39 SER HB3 H 1 4.6283 0.0600 . 2 . . . . 39 SER HB2 . 17321 1 419 . 1 1 39 39 SER CA C 13 56.5320 0.2928 . 1 . . . . 39 SER CA . 17321 1 420 . 1 1 39 39 SER CB C 13 63.0120 0.2928 . 1 . . . . 39 SER CB . 17321 1 421 . 1 1 39 39 SER N N 15 115.8223 0.1167 . 1 . . . . 39 SER N . 17321 1 422 . 1 1 40 40 VAL H H 1 7.3653 0.0600 . 1 . . . . 40 VAL HN . 17321 1 423 . 1 1 40 40 VAL HA H 1 3.7180 0.0600 . 1 . . . . 40 VAL HA . 17321 1 424 . 1 1 40 40 VAL HB H 1 2.2250 0.0600 . 1 . . . . 40 VAL HB . 17321 1 425 . 1 1 40 40 VAL HG11 H 1 1.1320 0.0600 . 1 . . . . 40 VAL HG1# . 17321 1 426 . 1 1 40 40 VAL HG12 H 1 1.1320 0.0600 . 1 . . . . 40 VAL HG1# . 17321 1 427 . 1 1 40 40 VAL HG13 H 1 1.1320 0.0600 . 1 . . . . 40 VAL HG1# . 17321 1 428 . 1 1 40 40 VAL HG21 H 1 1.0520 0.0600 . 1 . . . . 40 VAL HG2# . 17321 1 429 . 1 1 40 40 VAL HG22 H 1 1.0520 0.0600 . 1 . . . . 40 VAL HG2# . 17321 1 430 . 1 1 40 40 VAL HG23 H 1 1.0520 0.0600 . 1 . . . . 40 VAL HG2# . 17321 1 431 . 1 1 40 40 VAL CA C 13 66.4180 0.2928 . 1 . . . . 40 VAL CA . 17321 1 432 . 1 1 40 40 VAL CB C 13 31.8960 0.2928 . 1 . . . . 40 VAL CB . 17321 1 433 . 1 1 40 40 VAL CG1 C 13 23.5670 0.2928 . 1 . . . . 40 VAL CG1 . 17321 1 434 . 1 1 40 40 VAL CG2 C 13 20.9380 0.2928 . 1 . . . . 40 VAL CG2 . 17321 1 435 . 1 1 40 40 VAL N N 15 122.5419 0.1167 . 1 . . . . 40 VAL N . 17321 1 436 . 1 1 41 41 SER H H 1 8.9859 0.0600 . 1 . . . . 41 SER HN . 17321 1 437 . 1 1 41 41 SER HA H 1 4.1271 0.0600 . 1 . . . . 41 SER HA . 17321 1 438 . 1 1 41 41 SER HB2 H 1 3.9909 0.0600 . 1 . . . . 41 SER HB# . 17321 1 439 . 1 1 41 41 SER HB3 H 1 3.9909 0.0600 . 1 . . . . 41 SER HB# . 17321 1 440 . 1 1 41 41 SER CA C 13 61.8730 0.2928 . 1 . . . . 41 SER CA . 17321 1 441 . 1 1 41 41 SER CB C 13 61.8730 0.2928 . 1 . . . . 41 SER CB . 17321 1 442 . 1 1 41 41 SER N N 15 116.2516 0.1167 . 1 . . . . 41 SER N . 17321 1 443 . 1 1 42 42 ASP H H 1 7.7233 0.0600 . 1 . . . . 42 ASP HN . 17321 1 444 . 1 1 42 42 ASP HA H 1 4.5830 0.0600 . 1 . . . . 42 ASP HA . 17321 1 445 . 1 1 42 42 ASP HB2 H 1 2.9290 0.0600 . 2 . . . . 42 ASP HB1 . 17321 1 446 . 1 1 42 42 ASP HB3 H 1 3.1930 0.0600 . 2 . . . . 42 ASP HB2 . 17321 1 447 . 1 1 42 42 ASP CA C 13 57.0810 0.2928 . 1 . . . . 42 ASP CA . 17321 1 448 . 1 1 42 42 ASP CB C 13 40.3370 0.2928 . 1 . . . . 42 ASP CB . 17321 1 449 . 1 1 42 42 ASP N N 15 122.0892 0.1167 . 1 . . . . 42 ASP N . 17321 1 450 . 1 1 43 43 LEU H H 1 7.6854 0.0600 . 1 . . . . 43 LEU HN . 17321 1 451 . 1 1 43 43 LEU HA H 1 3.7960 0.0600 . 1 . . . . 43 LEU HA . 17321 1 452 . 1 1 43 43 LEU HB2 H 1 1.8570 0.0600 . 2 . . . . 43 LEU HB1 . 17321 1 453 . 1 1 43 43 LEU HB3 H 1 0.5720 0.0600 . 2 . . . . 43 LEU HB2 . 17321 1 454 . 1 1 43 43 LEU HG H 1 1.3140 0.0600 . 1 . . . . 43 LEU HG . 17321 1 455 . 1 1 43 43 LEU HD11 H 1 0.5770 0.0600 . 1 . . . . 43 LEU HD1# . 17321 1 456 . 1 1 43 43 LEU HD12 H 1 0.5770 0.0600 . 1 . . . . 43 LEU HD1# . 17321 1 457 . 1 1 43 43 LEU HD13 H 1 0.5770 0.0600 . 1 . . . . 43 LEU HD1# . 17321 1 458 . 1 1 43 43 LEU HD21 H 1 0.5920 0.0600 . 1 . . . . 43 LEU HD2# . 17321 1 459 . 1 1 43 43 LEU HD22 H 1 0.5920 0.0600 . 1 . . . . 43 LEU HD2# . 17321 1 460 . 1 1 43 43 LEU HD23 H 1 0.5920 0.0600 . 1 . . . . 43 LEU HD2# . 17321 1 461 . 1 1 43 43 LEU CA C 13 57.2950 0.2928 . 1 . . . . 43 LEU CA . 17321 1 462 . 1 1 43 43 LEU CB C 13 39.9280 0.2928 . 1 . . . . 43 LEU CB . 17321 1 463 . 1 1 43 43 LEU CG C 13 26.9110 0.2928 . 1 . . . . 43 LEU CG . 17321 1 464 . 1 1 43 43 LEU CD1 C 13 21.1600 0.2928 . 2 . . . . 43 LEU CD1 . 17321 1 465 . 1 1 43 43 LEU CD2 C 13 26.1550 0.2928 . 2 . . . . 43 LEU CD2 . 17321 1 466 . 1 1 43 43 LEU N N 15 124.5403 0.1167 . 1 . . . . 43 LEU N . 17321 1 467 . 1 1 44 44 LYS H H 1 8.5157 0.0600 . 1 . . . . 44 LYS HN . 17321 1 468 . 1 1 44 44 LYS HA H 1 3.8920 0.0600 . 1 . . . . 44 LYS HA . 17321 1 469 . 1 1 44 44 LYS HB2 H 1 1.9242 0.0600 . 1 . . . . 44 LYS HB# . 17321 1 470 . 1 1 44 44 LYS HB3 H 1 1.9242 0.0600 . 1 . . . . 44 LYS HB# . 17321 1 471 . 1 1 44 44 LYS HG2 H 1 1.4360 0.0600 . 1 . . . . 44 LYS HG1 . 17321 1 472 . 1 1 44 44 LYS HG3 H 1 1.7090 0.0600 . 1 . . . . 44 LYS HG2 . 17321 1 473 . 1 1 44 44 LYS HD2 H 1 1.7380 0.0600 . 1 . . . . 44 LYS HD# . 17321 1 474 . 1 1 44 44 LYS HD3 H 1 1.7380 0.0600 . 1 . . . . 44 LYS HD# . 17321 1 475 . 1 1 44 44 LYS HE2 H 1 2.9400 0.0600 . 1 . . . . 44 LYS HE# . 17321 1 476 . 1 1 44 44 LYS HE3 H 1 2.9400 0.0600 . 1 . . . . 44 LYS HE# . 17321 1 477 . 1 1 44 44 LYS CA C 13 60.6970 0.2928 . 1 . . . . 44 LYS CA . 17321 1 478 . 1 1 44 44 LYS CB C 13 31.9800 0.2928 . 1 . . . . 44 LYS CB . 17321 1 479 . 1 1 44 44 LYS CG C 13 26.9070 0.2928 . 1 . . . . 44 LYS CG . 17321 1 480 . 1 1 44 44 LYS CD C 13 29.6090 0.2928 . 1 . . . . 44 LYS CD . 17321 1 481 . 1 1 44 44 LYS CE C 13 41.4990 0.2928 . 1 . . . . 44 LYS CE . 17321 1 482 . 1 1 44 44 LYS N N 15 118.6553 0.1167 . 1 . . . . 44 LYS N . 17321 1 483 . 1 1 45 45 LYS H H 1 7.8658 0.0600 . 1 . . . . 45 LYS HN . 17321 1 484 . 1 1 45 45 LYS HA H 1 4.1620 0.0600 . 1 . . . . 45 LYS HA . 17321 1 485 . 1 1 45 45 LYS HB2 H 1 2.0630 0.0600 . 1 . . . . 45 LYS HB# . 17321 1 486 . 1 1 45 45 LYS HB3 H 1 2.0630 0.0600 . 1 . . . . 45 LYS HB# . 17321 1 487 . 1 1 45 45 LYS HG2 H 1 1.5610 0.0600 . 2 . . . . 45 LYS HG1 . 17321 1 488 . 1 1 45 45 LYS HG3 H 1 1.6910 0.0600 . 2 . . . . 45 LYS HG2 . 17321 1 489 . 1 1 45 45 LYS HD2 H 1 1.7880 0.0600 . 1 . . . . 45 LYS HD# . 17321 1 490 . 1 1 45 45 LYS HD3 H 1 1.7880 0.0600 . 1 . . . . 45 LYS HD# . 17321 1 491 . 1 1 45 45 LYS HE2 H 1 3.0180 0.0600 . 1 . . . . 45 LYS HE# . 17321 1 492 . 1 1 45 45 LYS HE3 H 1 3.0180 0.0600 . 1 . . . . 45 LYS HE# . 17321 1 493 . 1 1 45 45 LYS CA C 13 59.5510 0.2928 . 1 . . . . 45 LYS CA . 17321 1 494 . 1 1 45 45 LYS CB C 13 32.5150 0.2928 . 1 . . . . 45 LYS CB . 17321 1 495 . 1 1 45 45 LYS CG C 13 25.2090 0.2928 . 1 . . . . 45 LYS CG . 17321 1 496 . 1 1 45 45 LYS CD C 13 29.3540 0.2928 . 1 . . . . 45 LYS CD . 17321 1 497 . 1 1 45 45 LYS CE C 13 41.8140 0.2928 . 1 . . . . 45 LYS CE . 17321 1 498 . 1 1 45 45 LYS N N 15 120.7522 0.1167 . 1 . . . . 45 LYS N . 17321 1 499 . 1 1 46 46 TYR H H 1 7.7198 0.0600 . 1 . . . . 46 TYR HN . 17321 1 500 . 1 1 46 46 TYR HA H 1 4.7810 0.0600 . 1 . . . . 46 TYR HA . 17321 1 501 . 1 1 46 46 TYR HB2 H 1 3.2205 0.0600 . 2 . . . . 46 TYR HB1 . 17321 1 502 . 1 1 46 46 TYR HB3 H 1 3.3862 0.0600 . 2 . . . . 46 TYR HB2 . 17321 1 503 . 1 1 46 46 TYR HD1 H 1 7.1590 0.0600 . 1 . . . . 46 TYR HD1 . 17321 1 504 . 1 1 46 46 TYR HD2 H 1 7.1590 0.0600 . 1 . . . . 46 TYR HD2 . 17321 1 505 . 1 1 46 46 TYR HE1 H 1 6.8460 0.0600 . 1 . . . . 46 TYR HE1 . 17321 1 506 . 1 1 46 46 TYR HE2 H 1 6.8460 0.0600 . 1 . . . . 46 TYR HE2 . 17321 1 507 . 1 1 46 46 TYR CA C 13 58.7570 0.2928 . 1 . . . . 46 TYR CA . 17321 1 508 . 1 1 46 46 TYR CB C 13 37.9760 0.2928 . 1 . . . . 46 TYR CB . 17321 1 509 . 1 1 46 46 TYR CD1 C 13 132.4000 0.2928 . 1 . . . . 46 TYR CD1 . 17321 1 510 . 1 1 46 46 TYR CD2 C 13 132.4000 0.2928 . 1 . . . . 46 TYR CD2 . 17321 1 511 . 1 1 46 46 TYR CE1 C 13 117.7750 0.2928 . 1 . . . . 46 TYR CE1 . 17321 1 512 . 1 1 46 46 TYR CE2 C 13 117.7500 0.2928 . 1 . . . . 46 TYR CE2 . 17321 1 513 . 1 1 46 46 TYR N N 15 121.9239 0.1167 . 1 . . . . 46 TYR N . 17321 1 514 . 1 1 47 47 ILE H H 1 8.3741 0.0600 . 1 . . . . 47 ILE HN . 17321 1 515 . 1 1 47 47 ILE HA H 1 3.1400 0.0600 . 1 . . . . 47 ILE HA . 17321 1 516 . 1 1 47 47 ILE HB H 1 1.7680 0.0600 . 1 . . . . 47 ILE HB . 17321 1 517 . 1 1 47 47 ILE HG12 H 1 0.6200 0.0600 . 2 . . . . 47 ILE HG11 . 17321 1 518 . 1 1 47 47 ILE HG13 H 1 1.7310 0.0600 . 2 . . . . 47 ILE HG12 . 17321 1 519 . 1 1 47 47 ILE HG21 H 1 0.7960 0.0600 . 1 . . . . 47 ILE HG2# . 17321 1 520 . 1 1 47 47 ILE HG22 H 1 0.7960 0.0600 . 1 . . . . 47 ILE HG2# . 17321 1 521 . 1 1 47 47 ILE HG23 H 1 0.7960 0.0600 . 1 . . . . 47 ILE HG2# . 17321 1 522 . 1 1 47 47 ILE HD11 H 1 0.8190 0.0600 . 1 . . . . 47 ILE HD1# . 17321 1 523 . 1 1 47 47 ILE HD12 H 1 0.8190 0.0600 . 1 . . . . 47 ILE HD1# . 17321 1 524 . 1 1 47 47 ILE HD13 H 1 0.8190 0.0600 . 1 . . . . 47 ILE HD1# . 17321 1 525 . 1 1 47 47 ILE CA C 13 66.1030 0.2928 . 1 . . . . 47 ILE CA . 17321 1 526 . 1 1 47 47 ILE CB C 13 38.3560 0.2928 . 1 . . . . 47 ILE CB . 17321 1 527 . 1 1 47 47 ILE CG1 C 13 32.1310 0.2928 . 1 . . . . 47 ILE CG1 . 17321 1 528 . 1 1 47 47 ILE CG2 C 13 16.9510 0.2928 . 1 . . . . 47 ILE CG2 . 17321 1 529 . 1 1 47 47 ILE CD1 C 13 15.3290 0.2928 . 1 . . . . 47 ILE CD1 . 17321 1 530 . 1 1 47 47 ILE N N 15 119.0098 0.1167 . 1 . . . . 47 ILE N . 17321 1 531 . 1 1 48 48 ALA H H 1 7.7933 0.0600 . 1 . . . . 48 ALA HN . 17321 1 532 . 1 1 48 48 ALA HA H 1 4.2490 0.0600 . 1 . . . . 48 ALA HA . 17321 1 533 . 1 1 48 48 ALA HB1 H 1 1.5441 0.0600 . 1 . . . . 48 ALA HB# . 17321 1 534 . 1 1 48 48 ALA HB2 H 1 1.5441 0.0600 . 1 . . . . 48 ALA HB# . 17321 1 535 . 1 1 48 48 ALA HB3 H 1 1.5441 0.0600 . 1 . . . . 48 ALA HB# . 17321 1 536 . 1 1 48 48 ALA CA C 13 54.7490 0.2928 . 1 . . . . 48 ALA CA . 17321 1 537 . 1 1 48 48 ALA CB C 13 17.5220 0.2928 . 1 . . . . 48 ALA CB . 17321 1 538 . 1 1 48 48 ALA N N 15 119.9959 0.1167 . 1 . . . . 48 ALA N . 17321 1 539 . 1 1 49 49 GLU H H 1 7.9891 0.0600 . 1 . . . . 49 GLU HN . 17321 1 540 . 1 1 49 49 GLU HA H 1 4.1220 0.0600 . 1 . . . . 49 GLU HA . 17321 1 541 . 1 1 49 49 GLU HB2 H 1 2.4500 0.0600 . 2 . . . . 49 GLU HB1 . 17321 1 542 . 1 1 49 49 GLU HB3 H 1 2.2080 0.0600 . 2 . . . . 49 GLU HB2 . 17321 1 543 . 1 1 49 49 GLU HG2 H 1 2.5450 0.0600 . 2 . . . . 49 GLU HG1 . 17321 1 544 . 1 1 49 49 GLU HG3 H 1 2.3480 0.0600 . 2 . . . . 49 GLU HG2 . 17321 1 545 . 1 1 49 49 GLU CA C 13 59.0150 0.2928 . 1 . . . . 49 GLU CA . 17321 1 546 . 1 1 49 49 GLU CB C 13 29.2280 0.2928 . 1 . . . . 49 GLU CB . 17321 1 547 . 1 1 49 49 GLU CG C 13 36.2520 0.2928 . 1 . . . . 49 GLU CG . 17321 1 548 . 1 1 49 49 GLU N N 15 119.0296 0.1167 . 1 . . . . 49 GLU N . 17321 1 549 . 1 1 50 50 LEU H H 1 8.2467 0.0600 . 1 . . . . 50 LEU HN . 17321 1 550 . 1 1 50 50 LEU HA H 1 4.0540 0.0600 . 1 . . . . 50 LEU HA . 17321 1 551 . 1 1 50 50 LEU HB2 H 1 2.0028 0.0600 . 2 . . . . 50 LEU HB1 . 17321 1 552 . 1 1 50 50 LEU HB3 H 1 1.1360 0.0600 . 2 . . . . 50 LEU HB2 . 17321 1 553 . 1 1 50 50 LEU HG H 1 1.4350 0.0600 . 1 . . . . 50 LEU HG . 17321 1 554 . 1 1 50 50 LEU HD11 H 1 0.7990 0.0600 . 1 . . . . 50 LEU HD1# . 17321 1 555 . 1 1 50 50 LEU HD12 H 1 0.7990 0.0600 . 1 . . . . 50 LEU HD1# . 17321 1 556 . 1 1 50 50 LEU HD13 H 1 0.7990 0.0600 . 1 . . . . 50 LEU HD1# . 17321 1 557 . 1 1 50 50 LEU HD21 H 1 0.2890 0.0600 . 1 . . . . 50 LEU HD2# . 17321 1 558 . 1 1 50 50 LEU HD22 H 1 0.2890 0.0600 . 1 . . . . 50 LEU HD2# . 17321 1 559 . 1 1 50 50 LEU HD23 H 1 0.2890 0.0600 . 1 . . . . 50 LEU HD2# . 17321 1 560 . 1 1 50 50 LEU CA C 13 57.3600 0.2928 . 1 . . . . 50 LEU CA . 17321 1 561 . 1 1 50 50 LEU CB C 13 43.5140 0.2928 . 1 . . . . 50 LEU CB . 17321 1 562 . 1 1 50 50 LEU CG C 13 26.2710 0.2928 . 1 . . . . 50 LEU CG . 17321 1 563 . 1 1 50 50 LEU CD1 C 13 22.3800 0.2928 . 2 . . . . 50 LEU CD1 . 17321 1 564 . 1 1 50 50 LEU CD2 C 13 25.2290 0.2928 . 2 . . . . 50 LEU CD2 . 17321 1 565 . 1 1 50 50 LEU N N 15 120.6655 0.1167 . 1 . . . . 50 LEU N . 17321 1 566 . 1 1 51 51 GLU H H 1 8.6400 0.0600 . 1 . . . . 51 GLU HN . 17321 1 567 . 1 1 51 51 GLU HA H 1 3.8720 0.0600 . 1 . . . . 51 GLU HA . 17321 1 568 . 1 1 51 51 GLU HB2 H 1 2.3031 0.0600 . 2 . . . . 51 GLU HB1 . 17321 1 569 . 1 1 51 51 GLU HB3 H 1 1.9590 0.0600 . 2 . . . . 51 GLU HB2 . 17321 1 570 . 1 1 51 51 GLU HG2 H 1 2.5964 0.0600 . 2 . . . . 51 GLU HG1 . 17321 1 571 . 1 1 51 51 GLU HG3 H 1 2.1210 0.0600 . 2 . . . . 51 GLU HG2 . 17321 1 572 . 1 1 51 51 GLU CA C 13 59.4810 0.2928 . 1 . . . . 51 GLU CA . 17321 1 573 . 1 1 51 51 GLU CB C 13 29.6450 0.2928 . 1 . . . . 51 GLU CB . 17321 1 574 . 1 1 51 51 GLU CG C 13 37.6690 0.2928 . 1 . . . . 51 GLU CG . 17321 1 575 . 1 1 51 51 GLU N N 15 120.0368 0.1167 . 1 . . . . 51 GLU N . 17321 1 576 . 1 1 52 52 VAL H H 1 7.6045 0.0600 . 1 . . . . 52 VAL HN . 17321 1 577 . 1 1 52 52 VAL HA H 1 3.9580 0.0600 . 1 . . . . 52 VAL HA . 17321 1 578 . 1 1 52 52 VAL HB H 1 2.3280 0.0600 . 1 . . . . 52 VAL HB . 17321 1 579 . 1 1 52 52 VAL HG11 H 1 1.0340 0.0600 . 1 . . . . 52 VAL HG1# . 17321 1 580 . 1 1 52 52 VAL HG12 H 1 1.0340 0.0600 . 1 . . . . 52 VAL HG1# . 17321 1 581 . 1 1 52 52 VAL HG13 H 1 1.0340 0.0600 . 1 . . . . 52 VAL HG1# . 17321 1 582 . 1 1 52 52 VAL HG21 H 1 1.1460 0.0600 . 1 . . . . 52 VAL HG2# . 17321 1 583 . 1 1 52 52 VAL HG22 H 1 1.1460 0.0600 . 1 . . . . 52 VAL HG2# . 17321 1 584 . 1 1 52 52 VAL HG23 H 1 1.1460 0.0600 . 1 . . . . 52 VAL HG2# . 17321 1 585 . 1 1 52 52 VAL CA C 13 64.9600 0.2928 . 1 . . . . 52 VAL CA . 17321 1 586 . 1 1 52 52 VAL CB C 13 31.8270 0.2928 . 1 . . . . 52 VAL CB . 17321 1 587 . 1 1 52 52 VAL CG1 C 13 21.1100 0.2928 . 2 . . . . 52 VAL CG1 . 17321 1 588 . 1 1 52 52 VAL CG2 C 13 21.9910 0.2928 . 2 . . . . 52 VAL CG2 . 17321 1 589 . 1 1 52 52 VAL N N 15 118.5623 0.1167 . 1 . . . . 52 VAL N . 17321 1 590 . 1 1 53 53 GLN H H 1 8.1259 0.0600 . 1 . . . . 53 GLN HN . 17321 1 591 . 1 1 53 53 GLN HA H 1 4.2344 0.0600 . 1 . . . . 53 GLN HA . 17321 1 592 . 1 1 53 53 GLN HB2 H 1 2.1473 0.0600 . 2 . . . . 53 GLN HB1 . 17321 1 593 . 1 1 53 53 GLN HB3 H 1 2.2391 0.0600 . 2 . . . . 53 GLN HB2 . 17321 1 594 . 1 1 53 53 GLN HG2 H 1 2.6169 0.0600 . 2 . . . . 53 GLN HG1 . 17321 1 595 . 1 1 53 53 GLN HG3 H 1 2.4805 0.0600 . 2 . . . . 53 GLN HG2 . 17321 1 596 . 1 1 53 53 GLN CA C 13 57.6010 0.2928 . 1 . . . . 53 GLN CA . 17321 1 597 . 1 1 53 53 GLN CB C 13 29.0880 0.2928 . 1 . . . . 53 GLN CB . 17321 1 598 . 1 1 53 53 GLN CG C 13 33.8980 0.2928 . 1 . . . . 53 GLN CG . 17321 1 599 . 1 1 53 53 GLN N N 15 120.0474 0.1167 . 1 . . . . 53 GLN N . 17321 1 600 . 1 1 54 54 THR H H 1 8.0807 0.0600 . 1 . . . . 54 THR HN . 17321 1 601 . 1 1 54 54 THR HA H 1 4.3590 0.0600 . 1 . . . . 54 THR HA . 17321 1 602 . 1 1 54 54 THR HB H 1 4.3520 0.0600 . 1 . . . . 54 THR HB . 17321 1 603 . 1 1 54 54 THR HG21 H 1 1.2790 0.0600 . 1 . . . . 54 THR HG2 . 17321 1 604 . 1 1 54 54 THR HG22 H 1 1.2790 0.0600 . 1 . . . . 54 THR HG2 . 17321 1 605 . 1 1 54 54 THR HG23 H 1 1.2790 0.0600 . 1 . . . . 54 THR HG2 . 17321 1 606 . 1 1 54 54 THR CA C 13 62.8650 0.2928 . 1 . . . . 54 THR CA . 17321 1 607 . 1 1 54 54 THR CB C 13 69.8220 0.2928 . 1 . . . . 54 THR CB . 17321 1 608 . 1 1 54 54 THR CG2 C 13 21.5530 0.2928 . 1 . . . . 54 THR CG2 . 17321 1 609 . 1 1 54 54 THR N N 15 110.6788 0.1167 . 1 . . . . 54 THR N . 17321 1 610 . 1 1 55 55 GLY H H 1 8.0059 0.0600 . 1 . . . . 55 GLY HN . 17321 1 611 . 1 1 55 55 GLY HA2 H 1 4.0630 0.0600 . 1 . . . . 55 GLY HA# . 17321 1 612 . 1 1 55 55 GLY HA3 H 1 4.0630 0.0600 . 1 . . . . 55 GLY HA# . 17321 1 613 . 1 1 55 55 GLY CA C 13 45.7080 0.2928 . 1 . . . . 55 GLY CA . 17321 1 614 . 1 1 55 55 GLY N N 15 109.8951 0.1167 . 1 . . . . 55 GLY N . 17321 1 615 . 1 1 56 56 MET H H 1 8.0824 0.0600 . 1 . . . . 56 MET HN . 17321 1 616 . 1 1 56 56 MET HA H 1 4.5124 0.0600 . 1 . . . . 56 MET HA . 17321 1 617 . 1 1 56 56 MET HB2 H 1 2.1290 0.0600 . 1 . . . . 56 MET HB# . 17321 1 618 . 1 1 56 56 MET HB3 H 1 2.1290 0.0600 . 1 . . . . 56 MET HB# . 17321 1 619 . 1 1 56 56 MET HG2 H 1 2.6260 0.0600 . 1 . . . . 56 MET HG# . 17321 1 620 . 1 1 56 56 MET HG3 H 1 2.6260 0.0600 . 1 . . . . 56 MET HG# . 17321 1 621 . 1 1 56 56 MET CA C 13 55.8990 0.2928 . 1 . . . . 56 MET CA . 17321 1 622 . 1 1 56 56 MET CB C 13 32.5870 0.2928 . 1 . . . . 56 MET CB . 17321 1 623 . 1 1 56 56 MET CG C 13 31.9780 0.2928 . 1 . . . . 56 MET CG . 17321 1 624 . 1 1 56 56 MET N N 15 119.6533 0.1167 . 1 . . . . 56 MET N . 17321 1 625 . 1 1 57 57 THR H H 1 8.0122 0.0600 . 1 . . . . 57 THR HN . 17321 1 626 . 1 1 57 57 THR HA H 1 4.3370 0.0600 . 1 . . . . 57 THR HA . 17321 1 627 . 1 1 57 57 THR HB H 1 4.2570 0.0600 . 1 . . . . 57 THR HB . 17321 1 628 . 1 1 57 57 THR HG21 H 1 1.2430 0.0600 . 1 . . . . 57 THR HG2 . 17321 1 629 . 1 1 57 57 THR HG22 H 1 1.2430 0.0600 . 1 . . . . 57 THR HG2 . 17321 1 630 . 1 1 57 57 THR HG23 H 1 1.2430 0.0600 . 1 . . . . 57 THR HG2 . 17321 1 631 . 1 1 57 57 THR CA C 13 62.0640 0.2928 . 1 . . . . 57 THR CA . 17321 1 632 . 1 1 57 57 THR CB C 13 69.5420 0.2928 . 1 . . . . 57 THR CB . 17321 1 633 . 1 1 57 57 THR CG2 C 13 21.5980 0.2928 . 1 . . . . 57 THR CG2 . 17321 1 634 . 1 1 57 57 THR N N 15 114.1057 0.1167 . 1 . . . . 57 THR N . 17321 1 635 . 1 1 58 58 GLN H H 1 8.3483 0.0600 . 1 . . . . 58 GLN HN . 17321 1 636 . 1 1 58 58 GLN HA H 1 4.3534 0.0600 . 1 . . . . 58 GLN HA . 17321 1 637 . 1 1 58 58 GLN HB2 H 1 2.1570 0.0600 . 1 . . . . 58 GLN HB# . 17321 1 638 . 1 1 58 58 GLN HB3 H 1 2.1570 0.0600 . 1 . . . . 58 GLN HB# . 17321 1 639 . 1 1 58 58 GLN HG2 H 1 2.4160 0.0600 . 1 . . . . 58 GLN HG# . 17321 1 640 . 1 1 58 58 GLN HG3 H 1 2.4160 0.0600 . 1 . . . . 58 GLN HG# . 17321 1 641 . 1 1 58 58 GLN CA C 13 55.7030 0.2928 . 1 . . . . 58 GLN CA . 17321 1 642 . 1 1 58 58 GLN CB C 13 29.2890 0.2928 . 1 . . . . 58 GLN CB . 17321 1 643 . 1 1 58 58 GLN CG C 13 33.6630 0.2928 . 1 . . . . 58 GLN CG . 17321 1 644 . 1 1 58 58 GLN N N 15 122.2861 0.1167 . 1 . . . . 58 GLN N . 17321 1 645 . 1 1 59 59 ARG H H 1 8.3483 0.0600 . 1 . . . . 59 ARG HN . 17321 1 646 . 1 1 59 59 ARG HA H 1 4.3336 0.0600 . 1 . . . . 59 ARG HA . 17321 1 647 . 1 1 59 59 ARG HB2 H 1 1.8634 0.0600 . 2 . . . . 59 ARG HB1 . 17321 1 648 . 1 1 59 59 ARG HB3 H 1 1.7930 0.0600 . 2 . . . . 59 ARG HB2 . 17321 1 649 . 1 1 59 59 ARG HG2 H 1 1.6950 0.0600 . 1 . . . . 59 ARG HG# . 17321 1 650 . 1 1 59 59 ARG HG3 H 1 1.6950 0.0600 . 1 . . . . 59 ARG HG# . 17321 1 651 . 1 1 59 59 ARG HD2 H 1 3.2303 0.0600 . 1 . . . . 59 ARG HD# . 17321 1 652 . 1 1 59 59 ARG HD3 H 1 3.2303 0.0600 . 1 . . . . 59 ARG HD# . 17321 1 653 . 1 1 59 59 ARG CA C 13 55.9800 0.2928 . 1 . . . . 59 ARG CA . 17321 1 654 . 1 1 59 59 ARG CB C 13 30.6470 0.2928 . 1 . . . . 59 ARG CB . 17321 1 655 . 1 1 59 59 ARG CG C 13 27.0160 0.2928 . 1 . . . . 59 ARG CG . 17321 1 656 . 1 1 59 59 ARG CD C 13 43.1830 0.2928 . 1 . . . . 59 ARG CD . 17321 1 657 . 1 1 59 59 ARG N N 15 122.2861 0.1167 . 1 . . . . 59 ARG N . 17321 1 658 . 1 1 60 60 ARG H H 1 8.4345 0.0600 . 1 . . . . 60 ARG HN . 17321 1 659 . 1 1 60 60 ARG HA H 1 4.3522 0.0600 . 1 . . . . 60 ARG HA . 17321 1 660 . 1 1 60 60 ARG HB2 H 1 1.8670 0.0600 . 1 . . . . 60 ARG HB# . 17321 1 661 . 1 1 60 60 ARG HB3 H 1 1.8670 0.0600 . 1 . . . . 60 ARG HB# . 17321 1 662 . 1 1 60 60 ARG HG2 H 1 1.6860 0.0600 . 1 . . . . 60 ARG HG# . 17321 1 663 . 1 1 60 60 ARG HG3 H 1 1.6860 0.0600 . 1 . . . . 60 ARG HG# . 17321 1 664 . 1 1 60 60 ARG HD2 H 1 3.2550 0.0600 . 1 . . . . 60 ARG HD# . 17321 1 665 . 1 1 60 60 ARG HD3 H 1 3.2550 0.0600 . 1 . . . . 60 ARG HD# . 17321 1 666 . 1 1 60 60 ARG CA C 13 56.0590 0.2928 . 1 . . . . 60 ARG CA . 17321 1 667 . 1 1 60 60 ARG CB C 13 30.6970 0.2928 . 1 . . . . 60 ARG CB . 17321 1 668 . 1 1 60 60 ARG CG C 13 27.0290 0.2928 . 1 . . . . 60 ARG CG . 17321 1 669 . 1 1 60 60 ARG CD C 13 43.1480 0.2928 . 1 . . . . 60 ARG CD . 17321 1 670 . 1 1 60 60 ARG N N 15 122.9587 0.1167 . 1 . . . . 60 ARG N . 17321 1 671 . 1 1 61 61 ARG H H 1 8.4925 0.0600 . 1 . . . . 61 ARG HN . 17321 1 672 . 1 1 61 61 ARG HA H 1 4.3969 0.0600 . 1 . . . . 61 ARG HA . 17321 1 673 . 1 1 61 61 ARG HB2 H 1 1.9187 0.0600 . 2 . . . . 61 ARG HB1 . 17321 1 674 . 1 1 61 61 ARG HB3 H 1 1.8025 0.0600 . 2 . . . . 61 ARG HB2 . 17321 1 675 . 1 1 61 61 ARG HG2 H 1 1.6864 0.0600 . 1 . . . . 61 ARG HG# . 17321 1 676 . 1 1 61 61 ARG HG3 H 1 1.6864 0.0600 . 1 . . . . 61 ARG HG# . 17321 1 677 . 1 1 61 61 ARG HD2 H 1 3.2332 0.0600 . 1 . . . . 61 ARG HD# . 17321 1 678 . 1 1 61 61 ARG HD3 H 1 3.2332 0.0600 . 1 . . . . 61 ARG HD# . 17321 1 679 . 1 1 61 61 ARG CA C 13 55.9560 0.2928 . 1 . . . . 61 ARG CA . 17321 1 680 . 1 1 61 61 ARG CB C 13 30.8440 0.2928 . 1 . . . . 61 ARG CB . 17321 1 681 . 1 1 61 61 ARG CD C 13 43.1700 0.2928 . 1 . . . . 61 ARG CD . 17321 1 682 . 1 1 61 61 ARG N N 15 123.3047 0.1167 . 1 . . . . 61 ARG N . 17321 1 683 . 1 1 62 62 GLY H H 1 8.0682 0.0600 . 1 . . . . 62 GLY HN . 17321 1 684 . 1 1 62 62 GLY HA2 H 1 3.7980 0.0600 . 2 . . . . 62 GLY HA1 . 17321 1 685 . 1 1 62 62 GLY HA3 H 1 3.7450 0.0600 . 2 . . . . 62 GLY HA2 . 17321 1 686 . 1 1 62 62 GLY CA C 13 46.0310 0.2928 . 1 . . . . 62 GLY CA . 17321 1 687 . 1 1 62 62 GLY N N 15 116.5427 0.1167 . 1 . . . . 62 GLY N . 17321 1 stop_ save_