data_17322 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17322 _Entry.Title ; High resolution NMR structure of gpW (W protein of bacteriophage lambda) at acidic pH ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-24 _Entry.Accession_date 2010-11-24 _Entry.Last_release_date 2012-09-20 _Entry.Original_release_date 2012-09-20 _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 'NMR model structure for atom by atom analysis of gpW unfolding' _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 . . . 17322 2 Abhinav Verma . . . 17322 3 Victor Munoz . . . 17322 4 Eva 'de Alba' . . . 17322 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' . 17322 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'atom by atom analysis' . 17322 'downhill protein folding' . 17322 'fast protein folding' . 17322 'folding simulations' . 17322 gpW . 17322 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17322 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 206 17322 '15N chemical shifts' 62 17322 '1H chemical shifts' 432 17322 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-09-20 2010-11-24 original author . 17322 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 17321 '(W protein of bacteriophage lambda) at neutral pH' 17322 PDB 2L6R 'BMRB Entry Tracking System' 17322 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17322 _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 . . . 17322 1 2 Abhinav Verma . . . 17322 1 3 Victor Munoz . . . 17322 1 4 Eva 'de Alba' . . . 17322 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17322 _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 . . . 17322 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_gpW _Entity.Sf_category entity _Entity.Sf_framecode gpW _Entity.Entry_ID 17322 _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 17321 . gpW . . . . . 100.00 62 100.00 100.00 1.78e-34 . . . . 17322 1 2 no PDB 1HYW . "Solution Structure Of Bacteriophage Lambda Gpw" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17322 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 . . . . 17322 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 . . . . 17322 1 5 no DBJ BAG76119 . "putative phage head-tail joining protein [Escherichia coli SE11]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17322 1 6 no DBJ BAG77589 . "putative phage head-tail joining protein [Escherichia coli SE11]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17322 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 . . . . 17322 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 . . . . 17322 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 . . . . 17322 1 10 no EMBL CAP75664 . "head-to-tail joining protein [Escherichia coli LF82]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17322 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 . . . . 17322 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 . . . . 17322 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 . . . . 17322 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 . . . . 17322 1 15 no GB AAA96535 . "W (head-tail joining;68) [Enterobacteria phage lambda]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17322 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 . . . . 17322 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 . . . . 17322 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 . . . . 17322 1 19 no GB ABG69179 . "head-to-tail joining protein W [Escherichia coli 536]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17322 1 20 no REF NP_040582 . "head-tail joining protein [Enterobacteria phage lambda]" . . . . . 100.00 68 98.39 98.39 1.02e-33 . . . . 17322 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 . . . . 17322 1 22 no REF WP_000246867 . "Head-to-tail joining protein W [Escherichia coli]" . . . . . 64.52 46 97.50 100.00 1.49e-17 . . . . 17322 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 . . . . 17322 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 . . . . 17322 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 . . . . 17322 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 . . . . 17322 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 . 17322 1 2 . VAL . 17322 1 3 . ARG . 17322 1 4 . GLN . 17322 1 5 . GLU . 17322 1 6 . GLU . 17322 1 7 . LEU . 17322 1 8 . ALA . 17322 1 9 . ALA . 17322 1 10 . ALA . 17322 1 11 . ARG . 17322 1 12 . ALA . 17322 1 13 . ALA . 17322 1 14 . LEU . 17322 1 15 . HIS . 17322 1 16 . ASP . 17322 1 17 . LEU . 17322 1 18 . MET . 17322 1 19 . THR . 17322 1 20 . GLY . 17322 1 21 . LYS . 17322 1 22 . ARG . 17322 1 23 . VAL . 17322 1 24 . ALA . 17322 1 25 . THR . 17322 1 26 . VAL . 17322 1 27 . GLN . 17322 1 28 . LYS . 17322 1 29 . ASP . 17322 1 30 . GLY . 17322 1 31 . ARG . 17322 1 32 . ARG . 17322 1 33 . VAL . 17322 1 34 . GLU . 17322 1 35 . PHE . 17322 1 36 . THR . 17322 1 37 . ALA . 17322 1 38 . THR . 17322 1 39 . SER . 17322 1 40 . VAL . 17322 1 41 . SER . 17322 1 42 . ASP . 17322 1 43 . LEU . 17322 1 44 . LYS . 17322 1 45 . LYS . 17322 1 46 . TYR . 17322 1 47 . ILE . 17322 1 48 . ALA . 17322 1 49 . GLU . 17322 1 50 . LEU . 17322 1 51 . GLU . 17322 1 52 . VAL . 17322 1 53 . GLN . 17322 1 54 . THR . 17322 1 55 . GLY . 17322 1 56 . MET . 17322 1 57 . THR . 17322 1 58 . GLN . 17322 1 59 . ARG . 17322 1 60 . ARG . 17322 1 61 . ARG . 17322 1 62 . GLY . 17322 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 17322 1 . VAL 2 2 17322 1 . ARG 3 3 17322 1 . GLN 4 4 17322 1 . GLU 5 5 17322 1 . GLU 6 6 17322 1 . LEU 7 7 17322 1 . ALA 8 8 17322 1 . ALA 9 9 17322 1 . ALA 10 10 17322 1 . ARG 11 11 17322 1 . ALA 12 12 17322 1 . ALA 13 13 17322 1 . LEU 14 14 17322 1 . HIS 15 15 17322 1 . ASP 16 16 17322 1 . LEU 17 17 17322 1 . MET 18 18 17322 1 . THR 19 19 17322 1 . GLY 20 20 17322 1 . LYS 21 21 17322 1 . ARG 22 22 17322 1 . VAL 23 23 17322 1 . ALA 24 24 17322 1 . THR 25 25 17322 1 . VAL 26 26 17322 1 . GLN 27 27 17322 1 . LYS 28 28 17322 1 . ASP 29 29 17322 1 . GLY 30 30 17322 1 . ARG 31 31 17322 1 . ARG 32 32 17322 1 . VAL 33 33 17322 1 . GLU 34 34 17322 1 . PHE 35 35 17322 1 . THR 36 36 17322 1 . ALA 37 37 17322 1 . THR 38 38 17322 1 . SER 39 39 17322 1 . VAL 40 40 17322 1 . SER 41 41 17322 1 . ASP 42 42 17322 1 . LEU 43 43 17322 1 . LYS 44 44 17322 1 . LYS 45 45 17322 1 . TYR 46 46 17322 1 . ILE 47 47 17322 1 . ALA 48 48 17322 1 . GLU 49 49 17322 1 . LEU 50 50 17322 1 . GLU 51 51 17322 1 . VAL 52 52 17322 1 . GLN 53 53 17322 1 . THR 54 54 17322 1 . GLY 55 55 17322 1 . MET 56 56 17322 1 . THR 57 57 17322 1 . GLN 58 58 17322 1 . ARG 59 59 17322 1 . ARG 60 60 17322 1 . ARG 61 61 17322 1 . GLY 62 62 17322 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 17322 _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 . . . . . . . . . . . . . . . . . . . . . 17322 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 17322 _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' . . . . . . 17322 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17322 _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 . . . . 17322 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17322 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17322 1 4 'glycine buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17322 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17322 _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 . . . . 17322 2 2 D2O 'natural abundance' . . . . . . 100 . . % . . . . 17322 2 3 'glycine buffer' 'natural abundance' . . . . . . 20 . . mM . . . . 17322 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 17322 _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' 0.02 . M 17322 1 pH 3.5 . pH 17322 1 pressure 1 . atm 17322 1 temperature 293.1 . K 17322 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17322 _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' . . 17322 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 17322 1 processing 17322 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 17322 _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 . . 17322 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17322 2 'peak picking' 17322 2 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 17322 _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' . . 17322 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 17322 3 refinement 17322 3 'structure solution' 17322 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 17322 _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 17322 _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 . . . 17322 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 17322 _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 . . . . . . . . . . . . . . . . 17322 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17322 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17322 1 4 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17322 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17322 1 6 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17322 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17322 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17322 1 9 '4D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17322 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 17322 _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 . . . . . . . . . 17322 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17322 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17322 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 17322 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 17322 _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' . . . 17322 1 2 '3D HNCACB' . . . 17322 1 3 '3D CBCA(CO)NH' . . . 17322 1 4 '3D C(CO)NH' . . . 17322 1 5 '3D HNCO' . . . 17322 1 6 '3D HBHA(CO)NH' . . . 17322 1 7 '3D H(CCO)NH' . . . 17322 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 4.2220 0.0600 . 1 . . . . 1 MET HA . 17322 1 2 . 1 1 1 1 MET HB2 H 1 2.1910 0.0600 . 1 . . . . 1 MET HB# . 17322 1 3 . 1 1 1 1 MET HB3 H 1 2.1910 0.0600 . 1 . . . . 1 MET HB# . 17322 1 4 . 1 1 1 1 MET HG2 H 1 2.6300 0.0600 . 1 . . . . 1 MET HG# . 17322 1 5 . 1 1 1 1 MET HG3 H 1 2.6300 0.0600 . 1 . . . . 1 MET HG# . 17322 1 6 . 1 1 1 1 MET HE1 H 1 2.0400 0.0600 . 1 . . . . 1 MET HE# . 17322 1 7 . 1 1 1 1 MET HE2 H 1 2.0400 0.0600 . 1 . . . . 1 MET HE# . 17322 1 8 . 1 1 1 1 MET HE3 H 1 2.0400 0.0600 . 1 . . . . 1 MET HE# . 17322 1 9 . 1 1 1 1 MET CA C 13 55.1640 0.2928 . 1 . . . . 1 MET CA . 17322 1 10 . 1 1 1 1 MET CB C 13 33.2290 0.2928 . 1 . . . . 1 MET CB . 17322 1 11 . 1 1 1 1 MET CG C 13 30.9500 0.2928 . 1 . . . . 1 MET CG . 17322 1 12 . 1 1 1 1 MET CE C 13 16.8700 0.2928 . 1 . . . . 1 MET CE . 17322 1 13 . 1 1 2 2 VAL H H 1 8.6970 0.0600 . 1 . . . . 2 VAL HN . 17322 1 14 . 1 1 2 2 VAL HA H 1 4.2630 0.0600 . 1 . . . . 2 VAL HA . 17322 1 15 . 1 1 2 2 VAL HB H 1 2.2390 0.0600 . 1 . . . . 2 VAL HB . 17322 1 16 . 1 1 2 2 VAL HG11 H 1 0.9700 0.0600 . 1 . . . . 2 VAL HG1# . 17322 1 17 . 1 1 2 2 VAL HG12 H 1 0.9700 0.0600 . 1 . . . . 2 VAL HG1# . 17322 1 18 . 1 1 2 2 VAL HG13 H 1 0.9700 0.0600 . 1 . . . . 2 VAL HG1# . 17322 1 19 . 1 1 2 2 VAL HG21 H 1 0.9440 0.0600 . 1 . . . . 2 VAL HG2# . 17322 1 20 . 1 1 2 2 VAL HG22 H 1 0.9440 0.0600 . 1 . . . . 2 VAL HG2# . 17322 1 21 . 1 1 2 2 VAL HG23 H 1 0.9440 0.0600 . 1 . . . . 2 VAL HG2# . 17322 1 22 . 1 1 2 2 VAL CA C 13 62.6280 0.2928 . 1 . . . . 2 VAL CA . 17322 1 23 . 1 1 2 2 VAL CB C 13 32.5770 0.2928 . 1 . . . . 2 VAL CB . 17322 1 24 . 1 1 2 2 VAL CG1 C 13 20.8470 0.2928 . 1 . . . . 2 VAL CG1 . 17322 1 25 . 1 1 2 2 VAL CG2 C 13 20.8470 0.2928 . 1 . . . . 2 VAL CG2 . 17322 1 26 . 1 1 2 2 VAL N N 15 122.4190 0.1167 . 1 . . . . 2 VAL N . 17322 1 27 . 1 1 3 3 ARG H H 1 8.8270 0.0600 . 1 . . . . 3 ARG HN . 17322 1 28 . 1 1 3 3 ARG HA H 1 4.2440 0.0600 . 1 . . . . 3 ARG HA . 17322 1 29 . 1 1 3 3 ARG HB2 H 1 1.8660 0.0600 . 1 . . . . 3 ARG HB# . 17322 1 30 . 1 1 3 3 ARG HB3 H 1 1.8660 0.0600 . 1 . . . . 3 ARG HB# . 17322 1 31 . 1 1 3 3 ARG HG2 H 1 1.7520 0.0600 . 1 . . . . 3 ARG HG# . 17322 1 32 . 1 1 3 3 ARG HG3 H 1 1.7520 0.0600 . 1 . . . . 3 ARG HG# . 17322 1 33 . 1 1 3 3 ARG HD2 H 1 3.2400 0.0600 . 1 . . . . 3 ARG HD# . 17322 1 34 . 1 1 3 3 ARG HD3 H 1 3.2400 0.0600 . 1 . . . . 3 ARG HD# . 17322 1 35 . 1 1 3 3 ARG CA C 13 58.6420 0.2928 . 1 . . . . 3 ARG CA . 17322 1 36 . 1 1 3 3 ARG CB C 13 30.1380 0.2928 . 1 . . . . 3 ARG CB . 17322 1 37 . 1 1 3 3 ARG CG C 13 27.5350 0.2928 . 1 . . . . 3 ARG CG . 17322 1 38 . 1 1 3 3 ARG CD C 13 43.1790 0.2928 . 1 . . . . 3 ARG CD . 17322 1 39 . 1 1 3 3 ARG N N 15 124.6760 0.1167 . 1 . . . . 3 ARG N . 17322 1 40 . 1 1 4 4 GLN H H 1 8.7040 0.0600 . 1 . . . . 4 GLN HN . 17322 1 41 . 1 1 4 4 GLN HA H 1 4.0560 0.0600 . 1 . . . . 4 GLN HA . 17322 1 42 . 1 1 4 4 GLN HB2 H 1 2.1210 0.0600 . 1 . . . . 4 GLN HB# . 17322 1 43 . 1 1 4 4 GLN HB3 H 1 2.1210 0.0600 . 1 . . . . 4 GLN HB# . 17322 1 44 . 1 1 4 4 GLN HG2 H 1 2.4910 0.0600 . 1 . . . . 4 GLN HG# . 17322 1 45 . 1 1 4 4 GLN HG3 H 1 2.4910 0.0600 . 1 . . . . 4 GLN HG# . 17322 1 46 . 1 1 4 4 GLN HE21 H 1 7.3800 0.0600 . 1 . . . . 4 GLN HE21 . 17322 1 47 . 1 1 4 4 GLN HE22 H 1 6.6500 0.0600 . 1 . . . . 4 GLN HE22 . 17322 1 48 . 1 1 4 4 GLN CA C 13 59.1270 0.2928 . 1 . . . . 4 GLN CA . 17322 1 49 . 1 1 4 4 GLN CB C 13 28.0820 0.2928 . 1 . . . . 4 GLN CB . 17322 1 50 . 1 1 4 4 GLN CG C 13 33.8100 0.2928 . 1 . . . . 4 GLN CG . 17322 1 51 . 1 1 4 4 GLN N N 15 118.7340 0.1167 . 1 . . . . 4 GLN N . 17322 1 52 . 1 1 4 4 GLN NE2 N 15 110.0700 0.1167 . 1 . . . . 4 GLN NE2 . 17322 1 53 . 1 1 5 5 GLU H H 1 7.9490 0.0600 . 1 . . . . 5 GLU HN . 17322 1 54 . 1 1 5 5 GLU HA H 1 4.2240 0.0600 . 1 . . . . 5 GLU HA . 17322 1 55 . 1 1 5 5 GLU HB2 H 1 2.1880 0.0600 . 1 . . . . 5 GLU HB# . 17322 1 56 . 1 1 5 5 GLU HB3 H 1 2.1880 0.0600 . 1 . . . . 5 GLU HB# . 17322 1 57 . 1 1 5 5 GLU HG2 H 1 2.4840 0.0600 . 1 . . . . 5 GLU HG# . 17322 1 58 . 1 1 5 5 GLU HG3 H 1 2.4840 0.0600 . 1 . . . . 5 GLU HG# . 17322 1 59 . 1 1 5 5 GLU CA C 13 58.4360 0.2928 . 1 . . . . 5 GLU CA . 17322 1 60 . 1 1 5 5 GLU CB C 13 28.4800 0.2928 . 1 . . . . 5 GLU CB . 17322 1 61 . 1 1 5 5 GLU CG C 13 34.4360 0.2928 . 1 . . . . 5 GLU CG . 17322 1 62 . 1 1 5 5 GLU N N 15 119.7730 0.1167 . 1 . . . . 5 GLU N . 17322 1 63 . 1 1 6 6 GLU H H 1 8.2660 0.0600 . 1 . . . . 6 GLU HN . 17322 1 64 . 1 1 6 6 GLU HA H 1 4.1740 0.0600 . 1 . . . . 6 GLU HA . 17322 1 65 . 1 1 6 6 GLU HB2 H 1 2.2910 0.0600 . 2 . . . . 6 GLU HB1 . 17322 1 66 . 1 1 6 6 GLU HB3 H 1 2.1550 0.0600 . 2 . . . . 6 GLU HB2 . 17322 1 67 . 1 1 6 6 GLU HG2 H 1 2.5840 0.0600 . 1 . . . . 6 GLU HG# . 17322 1 68 . 1 1 6 6 GLU HG3 H 1 2.5840 0.0600 . 1 . . . . 6 GLU HG# . 17322 1 69 . 1 1 6 6 GLU CA C 13 58.9940 0.2928 . 1 . . . . 6 GLU CA . 17322 1 70 . 1 1 6 6 GLU CB C 13 28.9340 0.2928 . 1 . . . . 6 GLU CB . 17322 1 71 . 1 1 6 6 GLU CG C 13 34.9140 0.2928 . 1 . . . . 6 GLU CG . 17322 1 72 . 1 1 6 6 GLU N N 15 121.1640 0.1167 . 1 . . . . 6 GLU N . 17322 1 73 . 1 1 7 7 LEU H H 1 8.3060 0.0600 . 1 . . . . 7 LEU HN . 17322 1 74 . 1 1 7 7 LEU HA H 1 4.0020 0.0600 . 1 . . . . 7 LEU HA . 17322 1 75 . 1 1 7 7 LEU HB2 H 1 1.8940 0.0600 . 2 . . . . 7 LEU HB1 . 17322 1 76 . 1 1 7 7 LEU HB3 H 1 1.3770 0.0600 . 2 . . . . 7 LEU HB2 . 17322 1 77 . 1 1 7 7 LEU HG H 1 1.4790 0.0600 . 1 . . . . 7 LEU HG . 17322 1 78 . 1 1 7 7 LEU HD11 H 1 0.8710 0.0600 . 1 . . . . 7 LEU HD1# . 17322 1 79 . 1 1 7 7 LEU HD12 H 1 0.8710 0.0600 . 1 . . . . 7 LEU HD1# . 17322 1 80 . 1 1 7 7 LEU HD13 H 1 0.8710 0.0600 . 1 . . . . 7 LEU HD1# . 17322 1 81 . 1 1 7 7 LEU HD21 H 1 0.8710 0.0600 . 1 . . . . 7 LEU HD2# . 17322 1 82 . 1 1 7 7 LEU HD22 H 1 0.8710 0.0600 . 1 . . . . 7 LEU HD2# . 17322 1 83 . 1 1 7 7 LEU HD23 H 1 0.8710 0.0600 . 1 . . . . 7 LEU HD2# . 17322 1 84 . 1 1 7 7 LEU CA C 13 57.8020 0.2928 . 1 . . . . 7 LEU CA . 17322 1 85 . 1 1 7 7 LEU CB C 13 41.1910 0.2928 . 1 . . . . 7 LEU CB . 17322 1 86 . 1 1 7 7 LEU CG C 13 26.5170 0.2928 . 1 . . . . 7 LEU CG . 17322 1 87 . 1 1 7 7 LEU CD1 C 13 23.9490 0.2928 . 1 . . . . 7 LEU CD1 . 17322 1 88 . 1 1 7 7 LEU CD2 C 13 23.9490 0.2928 . 1 . . . . 7 LEU CD2 . 17322 1 89 . 1 1 7 7 LEU N N 15 121.3680 0.1167 . 1 . . . . 7 LEU N . 17322 1 90 . 1 1 8 8 ALA H H 1 8.0210 0.0600 . 1 . . . . 8 ALA HN . 17322 1 91 . 1 1 8 8 ALA HA H 1 4.2540 0.0600 . 1 . . . . 8 ALA HA . 17322 1 92 . 1 1 8 8 ALA HB1 H 1 1.6220 0.0600 . 1 . . . . 8 ALA HB# . 17322 1 93 . 1 1 8 8 ALA HB2 H 1 1.6220 0.0600 . 1 . . . . 8 ALA HB# . 17322 1 94 . 1 1 8 8 ALA HB3 H 1 1.6220 0.0600 . 1 . . . . 8 ALA HB# . 17322 1 95 . 1 1 8 8 ALA CA C 13 54.7290 0.2928 . 1 . . . . 8 ALA CA . 17322 1 96 . 1 1 8 8 ALA CB C 13 18.3220 0.2928 . 1 . . . . 8 ALA CB . 17322 1 97 . 1 1 8 8 ALA N N 15 121.3600 0.1167 . 1 . . . . 8 ALA N . 17322 1 98 . 1 1 9 9 ALA H H 1 8.1480 0.0600 . 1 . . . . 9 ALA HN . 17322 1 99 . 1 1 9 9 ALA HA H 1 4.2590 0.0600 . 1 . . . . 9 ALA HA . 17322 1 100 . 1 1 9 9 ALA HB1 H 1 1.6270 0.0600 . 1 . . . . 9 ALA HB# . 17322 1 101 . 1 1 9 9 ALA HB2 H 1 1.6270 0.0600 . 1 . . . . 9 ALA HB# . 17322 1 102 . 1 1 9 9 ALA HB3 H 1 1.6270 0.0600 . 1 . . . . 9 ALA HB# . 17322 1 103 . 1 1 9 9 ALA CA C 13 54.7350 0.2928 . 1 . . . . 9 ALA CA . 17322 1 104 . 1 1 9 9 ALA CB C 13 18.1950 0.2928 . 1 . . . . 9 ALA CB . 17322 1 105 . 1 1 9 9 ALA N N 15 120.8070 0.1167 . 1 . . . . 9 ALA N . 17322 1 106 . 1 1 10 10 ALA H H 1 8.3810 0.0600 . 1 . . . . 10 ALA HN . 17322 1 107 . 1 1 10 10 ALA HA H 1 4.0710 0.0600 . 1 . . . . 10 ALA HA . 17322 1 108 . 1 1 10 10 ALA HB1 H 1 1.3780 0.0600 . 1 . . . . 10 ALA HB# . 17322 1 109 . 1 1 10 10 ALA HB2 H 1 1.3780 0.0600 . 1 . . . . 10 ALA HB# . 17322 1 110 . 1 1 10 10 ALA HB3 H 1 1.3780 0.0600 . 1 . . . . 10 ALA HB# . 17322 1 111 . 1 1 10 10 ALA CA C 13 55.2260 0.2928 . 1 . . . . 10 ALA CA . 17322 1 112 . 1 1 10 10 ALA CB C 13 18.4540 0.2928 . 1 . . . . 10 ALA CB . 17322 1 113 . 1 1 10 10 ALA N N 15 123.2640 0.1167 . 1 . . . . 10 ALA N . 17322 1 114 . 1 1 11 11 ARG H H 1 8.4980 0.0600 . 1 . . . . 11 ARG HN . 17322 1 115 . 1 1 11 11 ARG HA H 1 3.8660 0.0600 . 1 . . . . 11 ARG HA . 17322 1 116 . 1 1 11 11 ARG HB2 H 1 1.8260 0.0600 . 1 . . . . 11 ARG HB# . 17322 1 117 . 1 1 11 11 ARG HB3 H 1 1.8260 0.0600 . 1 . . . . 11 ARG HB# . 17322 1 118 . 1 1 11 11 ARG HG2 H 1 1.5730 0.0600 . 1 . . . . 11 ARG HG# . 17322 1 119 . 1 1 11 11 ARG HG3 H 1 1.5730 0.0600 . 1 . . . . 11 ARG HG# . 17322 1 120 . 1 1 11 11 ARG HD2 H 1 3.0880 0.0600 . 1 . . . . 11 ARG HD# . 17322 1 121 . 1 1 11 11 ARG HD3 H 1 3.0880 0.0600 . 1 . . . . 11 ARG HD# . 17322 1 122 . 1 1 11 11 ARG CA C 13 60.1040 0.2928 . 1 . . . . 11 ARG CA . 17322 1 123 . 1 1 11 11 ARG CB C 13 29.4350 0.2928 . 1 . . . . 11 ARG CB . 17322 1 124 . 1 1 11 11 ARG CG C 13 28.7300 0.2928 . 1 . . . . 11 ARG CG . 17322 1 125 . 1 1 11 11 ARG CD C 13 43.5060 0.2928 . 1 . . . . 11 ARG CD . 17322 1 126 . 1 1 11 11 ARG N N 15 117.1480 0.1167 . 1 . . . . 11 ARG N . 17322 1 127 . 1 1 12 12 ALA H H 1 8.0700 0.0600 . 1 . . . . 12 ALA HN . 17322 1 128 . 1 1 12 12 ALA HA H 1 4.2020 0.0600 . 1 . . . . 12 ALA HA . 17322 1 129 . 1 1 12 12 ALA HB1 H 1 1.5320 0.0600 . 1 . . . . 12 ALA HB# . 17322 1 130 . 1 1 12 12 ALA HB2 H 1 1.5320 0.0600 . 1 . . . . 12 ALA HB# . 17322 1 131 . 1 1 12 12 ALA HB3 H 1 1.5320 0.0600 . 1 . . . . 12 ALA HB# . 17322 1 132 . 1 1 12 12 ALA CA C 13 54.9880 0.2928 . 1 . . . . 12 ALA CA . 17322 1 133 . 1 1 12 12 ALA CB C 13 17.5910 0.2928 . 1 . . . . 12 ALA CB . 17322 1 134 . 1 1 12 12 ALA N N 15 123.7480 0.1167 . 1 . . . . 12 ALA N . 17322 1 135 . 1 1 13 13 ALA H H 1 7.8970 0.0600 . 1 . . . . 13 ALA HN . 17322 1 136 . 1 1 13 13 ALA HA H 1 4.1200 0.0600 . 1 . . . . 13 ALA HA . 17322 1 137 . 1 1 13 13 ALA HB1 H 1 1.4580 0.0600 . 1 . . . . 13 ALA HB# . 17322 1 138 . 1 1 13 13 ALA HB2 H 1 1.4580 0.0600 . 1 . . . . 13 ALA HB# . 17322 1 139 . 1 1 13 13 ALA HB3 H 1 1.4580 0.0600 . 1 . . . . 13 ALA HB# . 17322 1 140 . 1 1 13 13 ALA CA C 13 54.7960 0.2928 . 1 . . . . 13 ALA CA . 17322 1 141 . 1 1 13 13 ALA CB C 13 17.6000 0.2928 . 1 . . . . 13 ALA CB . 17322 1 142 . 1 1 13 13 ALA N N 15 121.6670 0.1167 . 1 . . . . 13 ALA N . 17322 1 143 . 1 1 14 14 LEU H H 1 7.9580 0.0600 . 1 . . . . 14 LEU HN . 17322 1 144 . 1 1 14 14 LEU HA H 1 4.2020 0.0600 . 1 . . . . 14 LEU HA . 17322 1 145 . 1 1 14 14 LEU HB2 H 1 1.9480 0.0600 . 2 . . . . 14 LEU HB1 . 17322 1 146 . 1 1 14 14 LEU HB3 H 1 1.2420 0.0600 . 2 . . . . 14 LEU HB2 . 17322 1 147 . 1 1 14 14 LEU HG H 1 1.5900 0.0600 . 1 . . . . 14 LEU HG . 17322 1 148 . 1 1 14 14 LEU HD11 H 1 0.8530 0.0600 . 1 . . . . 14 LEU HD1# . 17322 1 149 . 1 1 14 14 LEU HD12 H 1 0.8530 0.0600 . 1 . . . . 14 LEU HD1# . 17322 1 150 . 1 1 14 14 LEU HD13 H 1 0.8530 0.0600 . 1 . . . . 14 LEU HD1# . 17322 1 151 . 1 1 14 14 LEU HD21 H 1 0.8530 0.0600 . 1 . . . . 14 LEU HD2# . 17322 1 152 . 1 1 14 14 LEU HD22 H 1 0.8530 0.0600 . 1 . . . . 14 LEU HD2# . 17322 1 153 . 1 1 14 14 LEU HD23 H 1 0.8530 0.0600 . 1 . . . . 14 LEU HD2# . 17322 1 154 . 1 1 14 14 LEU CA C 13 57.8150 0.2928 . 1 . . . . 14 LEU CA . 17322 1 155 . 1 1 14 14 LEU CB C 13 40.9570 0.2928 . 1 . . . . 14 LEU CB . 17322 1 156 . 1 1 14 14 LEU CG C 13 26.4550 0.2928 . 1 . . . . 14 LEU CG . 17322 1 157 . 1 1 14 14 LEU CD1 C 13 23.7900 0.2928 . 1 . . . . 14 LEU CD1 . 17322 1 158 . 1 1 14 14 LEU CD2 C 13 23.7900 0.2928 . 1 . . . . 14 LEU CD2 . 17322 1 159 . 1 1 14 14 LEU N N 15 118.3860 0.1167 . 1 . . . . 14 LEU N . 17322 1 160 . 1 1 15 15 HIS H H 1 8.0730 0.0600 . 1 . . . . 15 HIS HN . 17322 1 161 . 1 1 15 15 HIS HA H 1 4.2510 0.0600 . 1 . . . . 15 HIS HA . 17322 1 162 . 1 1 15 15 HIS HB2 H 1 3.2700 0.0600 . 2 . . . . 15 HIS HB1 . 17322 1 163 . 1 1 15 15 HIS HB3 H 1 3.4890 0.0600 . 2 . . . . 15 HIS HB2 . 17322 1 164 . 1 1 15 15 HIS HD2 H 1 7.3300 0.0600 . 1 . . . . 15 HIS HD2 . 17322 1 165 . 1 1 15 15 HIS HE1 H 1 8.6140 0.0600 . 1 . . . . 15 HIS HE1 . 17322 1 166 . 1 1 15 15 HIS CA C 13 59.1790 0.2928 . 1 . . . . 15 HIS CA . 17322 1 167 . 1 1 15 15 HIS CB C 13 27.3460 0.2928 . 1 . . . . 15 HIS CB . 17322 1 168 . 1 1 15 15 HIS CD2 C 13 120.3200 0.2928 . 1 . . . . 15 HIS CD2 . 17322 1 169 . 1 1 15 15 HIS CE1 C 13 136.3500 0.2928 . 1 . . . . 15 HIS CE1 . 17322 1 170 . 1 1 15 15 HIS N N 15 117.0410 0.1167 . 1 . . . . 15 HIS N . 17322 1 171 . 1 1 16 16 ASP H H 1 8.4880 0.0600 . 1 . . . . 16 ASP HN . 17322 1 172 . 1 1 16 16 ASP HA H 1 4.1810 0.0600 . 1 . . . . 16 ASP HA . 17322 1 173 . 1 1 16 16 ASP HB2 H 1 3.1500 0.0600 . 2 . . . . 16 ASP HB1 . 17322 1 174 . 1 1 16 16 ASP HB3 H 1 2.4510 0.0600 . 2 . . . . 16 ASP HB2 . 17322 1 175 . 1 1 16 16 ASP CA C 13 57.0620 0.2928 . 1 . . . . 16 ASP CA . 17322 1 176 . 1 1 16 16 ASP CB C 13 38.5460 0.2928 . 1 . . . . 16 ASP CB . 17322 1 177 . 1 1 16 16 ASP N N 15 121.2100 0.1167 . 1 . . . . 16 ASP N . 17322 1 178 . 1 1 17 17 LEU H H 1 7.9590 0.0600 . 1 . . . . 17 LEU HN . 17322 1 179 . 1 1 17 17 LEU HA H 1 4.3190 0.0600 . 1 . . . . 17 LEU HA . 17322 1 180 . 1 1 17 17 LEU HB2 H 1 1.8520 0.0600 . 2 . . . . 17 LEU HB1 . 17322 1 181 . 1 1 17 17 LEU HB3 H 1 1.2560 0.0600 . 2 . . . . 17 LEU HB2 . 17322 1 182 . 1 1 17 17 LEU HG H 1 1.6950 0.0600 . 1 . . . . 17 LEU HG . 17322 1 183 . 1 1 17 17 LEU HD11 H 1 0.6080 0.0600 . 1 . . . . 17 LEU HD1# . 17322 1 184 . 1 1 17 17 LEU HD12 H 1 0.6080 0.0600 . 1 . . . . 17 LEU HD1# . 17322 1 185 . 1 1 17 17 LEU HD13 H 1 0.6080 0.0600 . 1 . . . . 17 LEU HD1# . 17322 1 186 . 1 1 17 17 LEU HD21 H 1 0.6080 0.0600 . 1 . . . . 17 LEU HD2# . 17322 1 187 . 1 1 17 17 LEU HD22 H 1 0.6080 0.0600 . 1 . . . . 17 LEU HD2# . 17322 1 188 . 1 1 17 17 LEU HD23 H 1 0.6080 0.0600 . 1 . . . . 17 LEU HD2# . 17322 1 189 . 1 1 17 17 LEU CA C 13 57.3400 0.2928 . 1 . . . . 17 LEU CA . 17322 1 190 . 1 1 17 17 LEU CB C 13 41.7070 0.2928 . 1 . . . . 17 LEU CB . 17322 1 191 . 1 1 17 17 LEU CG C 13 25.9930 0.2928 . 1 . . . . 17 LEU CG . 17322 1 192 . 1 1 17 17 LEU CD1 C 13 22.0380 0.2928 . 1 . . . . 17 LEU CD1 . 17322 1 193 . 1 1 17 17 LEU CD2 C 13 22.0380 0.2928 . 1 . . . . 17 LEU CD2 . 17322 1 194 . 1 1 17 17 LEU N N 15 120.1960 0.1167 . 1 . . . . 17 LEU N . 17322 1 195 . 1 1 18 18 MET H H 1 8.3060 0.0600 . 1 . . . . 18 MET HN . 17322 1 196 . 1 1 18 18 MET HA H 1 4.4480 0.0600 . 1 . . . . 18 MET HA . 17322 1 197 . 1 1 18 18 MET HB2 H 1 2.1810 0.0600 . 2 . . . . 18 MET HB1 . 17322 1 198 . 1 1 18 18 MET HB3 H 1 2.7390 0.0600 . 2 . . . . 18 MET HB2 . 17322 1 199 . 1 1 18 18 MET HG2 H 1 2.6340 0.0600 . 1 . . . . 18 MET HG# . 17322 1 200 . 1 1 18 18 MET HG3 H 1 2.6340 0.0600 . 1 . . . . 18 MET HG# . 17322 1 201 . 1 1 18 18 MET HE1 H 1 2.0930 0.0600 . 1 . . . . 18 MET HE# . 17322 1 202 . 1 1 18 18 MET HE2 H 1 2.0930 0.0600 . 1 . . . . 18 MET HE# . 17322 1 203 . 1 1 18 18 MET HE3 H 1 2.0930 0.0600 . 1 . . . . 18 MET HE# . 17322 1 204 . 1 1 18 18 MET CA C 13 56.5050 0.2928 . 1 . . . . 18 MET CA . 17322 1 205 . 1 1 18 18 MET CB C 13 31.9940 0.2928 . 1 . . . . 18 MET CB . 17322 1 206 . 1 1 18 18 MET CG C 13 31.9480 0.2928 . 1 . . . . 18 MET CG . 17322 1 207 . 1 1 18 18 MET CE C 13 16.4400 0.2928 . 1 . . . . 18 MET CE . 17322 1 208 . 1 1 18 18 MET N N 15 117.2840 0.1167 . 1 . . . . 18 MET N . 17322 1 209 . 1 1 19 19 THR H H 1 7.5450 0.0600 . 1 . . . . 19 THR HN . 17322 1 210 . 1 1 19 19 THR HA H 1 4.4780 0.0600 . 1 . . . . 19 THR HA . 17322 1 211 . 1 1 19 19 THR HB H 1 4.4780 0.0600 . 1 . . . . 19 THR HB . 17322 1 212 . 1 1 19 19 THR HG21 H 1 0.9510 0.0600 . 1 . . . . 19 THR HG2# . 17322 1 213 . 1 1 19 19 THR HG22 H 1 0.9510 0.0600 . 1 . . . . 19 THR HG2# . 17322 1 214 . 1 1 19 19 THR HG23 H 1 0.9510 0.0600 . 1 . . . . 19 THR HG2# . 17322 1 215 . 1 1 19 19 THR CA C 13 61.1940 0.2928 . 1 . . . . 19 THR CA . 17322 1 216 . 1 1 19 19 THR CB C 13 69.1870 0.2928 . 1 . . . . 19 THR CB . 17322 1 217 . 1 1 19 19 THR CG2 C 13 21.2090 0.2928 . 1 . . . . 19 THR CG2 . 17322 1 218 . 1 1 19 19 THR N N 15 108.4620 0.1167 . 1 . . . . 19 THR N . 17322 1 219 . 1 1 20 20 GLY H H 1 7.5630 0.0600 . 1 . . . . 20 GLY HN . 17322 1 220 . 1 1 20 20 GLY HA2 H 1 3.6640 0.0600 . 1 . . . . 20 GLY HA1 . 17322 1 221 . 1 1 20 20 GLY HA3 H 1 4.3920 0.0600 . 1 . . . . 20 GLY HA2 . 17322 1 222 . 1 1 20 20 GLY CA C 13 45.6190 0.2928 . 1 . . . . 20 GLY CA . 17322 1 223 . 1 1 20 20 GLY N N 15 107.4000 0.1167 . 1 . . . . 20 GLY N . 17322 1 224 . 1 1 21 21 LYS H H 1 7.9970 0.0600 . 1 . . . . 21 LYS HN . 17322 1 225 . 1 1 21 21 LYS HA H 1 4.3410 0.0600 . 1 . . . . 21 LYS HA . 17322 1 226 . 1 1 21 21 LYS HB2 H 1 1.4940 0.0600 . 2 . . . . 21 LYS HB1 . 17322 1 227 . 1 1 21 21 LYS HB3 H 1 1.7120 0.0600 . 2 . . . . 21 LYS HB2 . 17322 1 228 . 1 1 21 21 LYS HG2 H 1 1.4200 0.0600 . 1 . . . . 21 LYS HG# . 17322 1 229 . 1 1 21 21 LYS HG3 H 1 1.4200 0.0600 . 1 . . . . 21 LYS HG# . 17322 1 230 . 1 1 21 21 LYS HD2 H 1 1.6100 0.0600 . 1 . . . . 21 LYS HD# . 17322 1 231 . 1 1 21 21 LYS HD3 H 1 1.6100 0.0600 . 1 . . . . 21 LYS HD# . 17322 1 232 . 1 1 21 21 LYS HE2 H 1 3.0300 0.0600 . 1 . . . . 21 LYS HE# . 17322 1 233 . 1 1 21 21 LYS HE3 H 1 3.0300 0.0600 . 1 . . . . 21 LYS HE# . 17322 1 234 . 1 1 21 21 LYS CA C 13 56.1280 0.2928 . 1 . . . . 21 LYS CA . 17322 1 235 . 1 1 21 21 LYS CB C 13 31.9710 0.2928 . 1 . . . . 21 LYS CB . 17322 1 236 . 1 1 21 21 LYS CG C 13 25.2040 0.2928 . 1 . . . . 21 LYS CG . 17322 1 237 . 1 1 21 21 LYS CD C 13 28.6400 0.2928 . 1 . . . . 21 LYS CD . 17322 1 238 . 1 1 21 21 LYS CE C 13 42.1770 0.2928 . 1 . . . . 21 LYS CE . 17322 1 239 . 1 1 21 21 LYS N N 15 121.0680 0.1167 . 1 . . . . 21 LYS N . 17322 1 240 . 1 1 22 22 ARG H H 1 8.6430 0.0600 . 1 . . . . 22 ARG HN . 17322 1 241 . 1 1 22 22 ARG HA H 1 4.1130 0.0600 . 1 . . . . 22 ARG HA . 17322 1 242 . 1 1 22 22 ARG HB2 H 1 1.9040 0.0600 . 1 . . . . 22 ARG HB# . 17322 1 243 . 1 1 22 22 ARG HB3 H 1 1.9040 0.0600 . 1 . . . . 22 ARG HB# . 17322 1 244 . 1 1 22 22 ARG HG2 H 1 1.6400 0.0600 . 1 . . . . 22 ARG HG# . 17322 1 245 . 1 1 22 22 ARG HG3 H 1 1.6400 0.0600 . 1 . . . . 22 ARG HG# . 17322 1 246 . 1 1 22 22 ARG HD2 H 1 3.2340 0.0600 . 1 . . . . 22 ARG HD# . 17322 1 247 . 1 1 22 22 ARG HD3 H 1 3.2340 0.0600 . 1 . . . . 22 ARG HD# . 17322 1 248 . 1 1 22 22 ARG CA C 13 57.8780 0.2928 . 1 . . . . 22 ARG CA . 17322 1 249 . 1 1 22 22 ARG CB C 13 30.9400 0.2928 . 1 . . . . 22 ARG CB . 17322 1 250 . 1 1 22 22 ARG CG C 13 27.2820 0.2928 . 1 . . . . 22 ARG CG . 17322 1 251 . 1 1 22 22 ARG CD C 13 42.9550 0.2928 . 1 . . . . 22 ARG CD . 17322 1 252 . 1 1 22 22 ARG N N 15 120.3840 0.1167 . 1 . . . . 22 ARG N . 17322 1 253 . 1 1 23 23 VAL H H 1 7.5250 0.0600 . 1 . . . . 23 VAL HN . 17322 1 254 . 1 1 23 23 VAL HA H 1 4.8150 0.0600 . 1 . . . . 23 VAL HA . 17322 1 255 . 1 1 23 23 VAL HB H 1 1.9140 0.0600 . 1 . . . . 23 VAL HB . 17322 1 256 . 1 1 23 23 VAL HG11 H 1 0.8350 0.0600 . 1 . . . . 23 VAL HG1# . 17322 1 257 . 1 1 23 23 VAL HG12 H 1 0.8350 0.0600 . 1 . . . . 23 VAL HG1# . 17322 1 258 . 1 1 23 23 VAL HG13 H 1 0.8350 0.0600 . 1 . . . . 23 VAL HG1# . 17322 1 259 . 1 1 23 23 VAL HG21 H 1 0.8350 0.0600 . 1 . . . . 23 VAL HG2# . 17322 1 260 . 1 1 23 23 VAL HG22 H 1 0.8350 0.0600 . 1 . . . . 23 VAL HG2# . 17322 1 261 . 1 1 23 23 VAL HG23 H 1 0.8350 0.0600 . 1 . . . . 23 VAL HG2# . 17322 1 262 . 1 1 23 23 VAL CA C 13 59.7880 0.2928 . 1 . . . . 23 VAL CA . 17322 1 263 . 1 1 23 23 VAL CB C 13 35.3010 0.2928 . 1 . . . . 23 VAL CB . 17322 1 264 . 1 1 23 23 VAL CG1 C 13 20.5260 0.2928 . 1 . . . . 23 VAL CG1 . 17322 1 265 . 1 1 23 23 VAL CG2 C 13 20.5260 0.2928 . 1 . . . . 23 VAL CG2 . 17322 1 266 . 1 1 23 23 VAL N N 15 114.9450 0.1167 . 1 . . . . 23 VAL N . 17322 1 267 . 1 1 24 24 ALA H H 1 8.7900 0.0600 . 1 . . . . 24 ALA HN . 17322 1 268 . 1 1 24 24 ALA HA H 1 4.7800 0.0600 . 1 . . . . 24 ALA HA . 17322 1 269 . 1 1 24 24 ALA HB1 H 1 1.3820 0.0600 . 1 . . . . 24 ALA HB# . 17322 1 270 . 1 1 24 24 ALA HB2 H 1 1.3820 0.0600 . 1 . . . . 24 ALA HB# . 17322 1 271 . 1 1 24 24 ALA HB3 H 1 1.3820 0.0600 . 1 . . . . 24 ALA HB# . 17322 1 272 . 1 1 24 24 ALA CA C 13 51.2690 0.2928 . 1 . . . . 24 ALA CA . 17322 1 273 . 1 1 24 24 ALA CB C 13 22.8590 0.2928 . 1 . . . . 24 ALA CB . 17322 1 274 . 1 1 24 24 ALA N N 15 126.8880 0.1167 . 1 . . . . 24 ALA N . 17322 1 275 . 1 1 25 25 THR H H 1 8.5350 0.0600 . 1 . . . . 25 THR HN . 17322 1 276 . 1 1 25 25 THR HA H 1 5.3330 0.0600 . 1 . . . . 25 THR HA . 17322 1 277 . 1 1 25 25 THR HB H 1 3.9400 0.0600 . 1 . . . . 25 THR HB . 17322 1 278 . 1 1 25 25 THR HG21 H 1 1.0740 0.0600 . 1 . . . . 25 THR HG2# . 17322 1 279 . 1 1 25 25 THR HG22 H 1 1.0740 0.0600 . 1 . . . . 25 THR HG2# . 17322 1 280 . 1 1 25 25 THR HG23 H 1 1.0740 0.0600 . 1 . . . . 25 THR HG2# . 17322 1 281 . 1 1 25 25 THR CA C 13 61.1180 0.2928 . 1 . . . . 25 THR CA . 17322 1 282 . 1 1 25 25 THR CB C 13 70.8310 0.2928 . 1 . . . . 25 THR CB . 17322 1 283 . 1 1 25 25 THR CG2 C 13 21.5860 0.2928 . 1 . . . . 25 THR CG2 . 17322 1 284 . 1 1 25 25 THR N N 15 115.2920 0.1167 . 1 . . . . 25 THR N . 17322 1 285 . 1 1 26 26 VAL H H 1 8.8490 0.0600 . 1 . . . . 26 VAL HN . 17322 1 286 . 1 1 26 26 VAL HA H 1 4.4850 0.0600 . 1 . . . . 26 VAL HA . 17322 1 287 . 1 1 26 26 VAL HB H 1 2.2270 0.0600 . 1 . . . . 26 VAL HB . 17322 1 288 . 1 1 26 26 VAL HG11 H 1 0.9370 0.0600 . 1 . . . . 26 VAL HG1# . 17322 1 289 . 1 1 26 26 VAL HG12 H 1 0.9370 0.0600 . 1 . . . . 26 VAL HG1# . 17322 1 290 . 1 1 26 26 VAL HG13 H 1 0.9370 0.0600 . 1 . . . . 26 VAL HG1# . 17322 1 291 . 1 1 26 26 VAL HG21 H 1 0.9370 0.0600 . 1 . . . . 26 VAL HG2# . 17322 1 292 . 1 1 26 26 VAL HG22 H 1 0.9370 0.0600 . 1 . . . . 26 VAL HG2# . 17322 1 293 . 1 1 26 26 VAL HG23 H 1 0.9370 0.0600 . 1 . . . . 26 VAL HG2# . 17322 1 294 . 1 1 26 26 VAL CA C 13 59.7020 0.2928 . 1 . . . . 26 VAL CA . 17322 1 295 . 1 1 26 26 VAL CB C 13 35.5140 0.2928 . 1 . . . . 26 VAL CB . 17322 1 296 . 1 1 26 26 VAL CG1 C 13 21.4520 0.2928 . 1 . . . . 26 VAL CG1 . 17322 1 297 . 1 1 26 26 VAL CG2 C 13 21.4520 0.2928 . 1 . . . . 26 VAL CG2 . 17322 1 298 . 1 1 26 26 VAL N N 15 119.8780 0.1167 . 1 . . . . 26 VAL N . 17322 1 299 . 1 1 27 27 GLN H H 1 8.5660 0.0600 . 1 . . . . 27 GLN HN . 17322 1 300 . 1 1 27 27 GLN HA H 1 4.8210 0.0600 . 1 . . . . 27 GLN HA . 17322 1 301 . 1 1 27 27 GLN HB2 H 1 1.9440 0.0600 . 1 . . . . 27 GLN HB# . 17322 1 302 . 1 1 27 27 GLN HB3 H 1 1.9440 0.0600 . 1 . . . . 27 GLN HB# . 17322 1 303 . 1 1 27 27 GLN HG2 H 1 2.1990 0.0600 . 1 . . . . 27 GLN HG# . 17322 1 304 . 1 1 27 27 GLN HG3 H 1 2.1990 0.0600 . 1 . . . . 27 GLN HG# . 17322 1 305 . 1 1 27 27 GLN CA C 13 54.7680 0.2928 . 1 . . . . 27 GLN CA . 17322 1 306 . 1 1 27 27 GLN CB C 13 29.1270 0.2928 . 1 . . . . 27 GLN CB . 17322 1 307 . 1 1 27 27 GLN CG C 13 33.5910 0.2928 . 1 . . . . 27 GLN CG . 17322 1 308 . 1 1 27 27 GLN N N 15 122.9870 0.1167 . 1 . . . . 27 GLN N . 17322 1 309 . 1 1 28 28 LYS H H 1 9.0700 0.0600 . 1 . . . . 28 LYS HN . 17322 1 310 . 1 1 28 28 LYS HA H 1 4.5180 0.0600 . 1 . . . . 28 LYS HA . 17322 1 311 . 1 1 28 28 LYS HB2 H 1 1.5810 0.0600 . 2 . . . . 28 LYS HB1 . 17322 1 312 . 1 1 28 28 LYS HB3 H 1 1.3620 0.0600 . 2 . . . . 28 LYS HB2 . 17322 1 313 . 1 1 28 28 LYS HG2 H 1 0.9900 0.0600 . 1 . . . . 28 LYS HG# . 17322 1 314 . 1 1 28 28 LYS HG3 H 1 0.9900 0.0600 . 1 . . . . 28 LYS HG# . 17322 1 315 . 1 1 28 28 LYS HD2 H 1 1.2400 0.0600 . 2 . . . . 28 LYS HD1 . 17322 1 316 . 1 1 28 28 LYS HD3 H 1 0.9300 0.0600 . 2 . . . . 28 LYS HD2 . 17322 1 317 . 1 1 28 28 LYS CA C 13 55.6650 0.2928 . 1 . . . . 28 LYS CA . 17322 1 318 . 1 1 28 28 LYS CB C 13 35.0420 0.2928 . 1 . . . . 28 LYS CB . 17322 1 319 . 1 1 28 28 LYS CG C 13 24.3920 0.2928 . 1 . . . . 28 LYS CG . 17322 1 320 . 1 1 28 28 LYS CD C 13 29.3780 0.2928 . 1 . . . . 28 LYS CD . 17322 1 321 . 1 1 28 28 LYS CE C 13 41.6720 0.2928 . 1 . . . . 28 LYS CE . 17322 1 322 . 1 1 28 28 LYS N N 15 127.4460 0.1167 . 1 . . . . 28 LYS N . 17322 1 323 . 1 1 29 29 ASP H H 1 9.2680 0.0600 . 1 . . . . 29 ASP HN . 17322 1 324 . 1 1 29 29 ASP HA H 1 4.3610 0.0600 . 1 . . . . 29 ASP HA . 17322 1 325 . 1 1 29 29 ASP HB2 H 1 2.7380 0.0600 . 2 . . . . 29 ASP HB1 . 17322 1 326 . 1 1 29 29 ASP HB3 H 1 2.9570 0.0600 . 2 . . . . 29 ASP HB2 . 17322 1 327 . 1 1 29 29 ASP CA C 13 54.8980 0.2928 . 1 . . . . 29 ASP CA . 17322 1 328 . 1 1 29 29 ASP CB C 13 38.8060 0.2928 . 1 . . . . 29 ASP CB . 17322 1 329 . 1 1 29 29 ASP N N 15 126.2530 0.1167 . 1 . . . . 29 ASP N . 17322 1 330 . 1 1 30 30 GLY H H 1 8.6570 0.0600 . 1 . . . . 30 GLY HN . 17322 1 331 . 1 1 30 30 GLY HA2 H 1 3.6340 0.0600 . 2 . . . . 30 GLY HA1 . 17322 1 332 . 1 1 30 30 GLY HA3 H 1 4.1110 0.0600 . 2 . . . . 30 GLY HA2 . 17322 1 333 . 1 1 30 30 GLY CA C 13 45.4890 0.2928 . 1 . . . . 30 GLY CA . 17322 1 334 . 1 1 30 30 GLY N N 15 103.9000 0.1167 . 1 . . . . 30 GLY N . 17322 1 335 . 1 1 31 31 ARG H H 1 7.7480 0.0600 . 1 . . . . 31 ARG HN . 17322 1 336 . 1 1 31 31 ARG HA H 1 4.6260 0.0600 . 1 . . . . 31 ARG HA . 17322 1 337 . 1 1 31 31 ARG HB2 H 1 1.7460 0.0600 . 1 . . . . 31 ARG HB# . 17322 1 338 . 1 1 31 31 ARG HB3 H 1 1.7460 0.0600 . 1 . . . . 31 ARG HB# . 17322 1 339 . 1 1 31 31 ARG HG2 H 1 1.5350 0.0600 . 1 . . . . 31 ARG HG# . 17322 1 340 . 1 1 31 31 ARG HG3 H 1 1.5350 0.0600 . 1 . . . . 31 ARG HG# . 17322 1 341 . 1 1 31 31 ARG HD2 H 1 3.1520 0.0600 . 1 . . . . 31 ARG HD# . 17322 1 342 . 1 1 31 31 ARG HD3 H 1 3.1520 0.0600 . 1 . . . . 31 ARG HD# . 17322 1 343 . 1 1 31 31 ARG CA C 13 54.1430 0.2928 . 1 . . . . 31 ARG CA . 17322 1 344 . 1 1 31 31 ARG CB C 13 32.7520 0.2928 . 1 . . . . 31 ARG CB . 17322 1 345 . 1 1 31 31 ARG CG C 13 26.6300 0.2928 . 1 . . . . 31 ARG CG . 17322 1 346 . 1 1 31 31 ARG CD C 13 43.1400 0.2928 . 1 . . . . 31 ARG CD . 17322 1 347 . 1 1 31 31 ARG N N 15 119.6270 0.1167 . 1 . . . . 31 ARG N . 17322 1 348 . 1 1 32 32 ARG H H 1 8.4880 0.0600 . 1 . . . . 32 ARG HN . 17322 1 349 . 1 1 32 32 ARG HA H 1 4.4450 0.0600 . 1 . . . . 32 ARG HA . 17322 1 350 . 1 1 32 32 ARG HB2 H 1 1.7330 0.0600 . 1 . . . . 32 ARG HB# . 17322 1 351 . 1 1 32 32 ARG HB3 H 1 1.7330 0.0600 . 1 . . . . 32 ARG HB# . 17322 1 352 . 1 1 32 32 ARG HG2 H 1 1.6100 0.0600 . 1 . . . . 32 ARG HG# . 17322 1 353 . 1 1 32 32 ARG HG3 H 1 1.6100 0.0600 . 1 . . . . 32 ARG HG# . 17322 1 354 . 1 1 32 32 ARG HD2 H 1 3.1470 0.0600 . 1 . . . . 32 ARG HD# . 17322 1 355 . 1 1 32 32 ARG HD3 H 1 3.1470 0.0600 . 1 . . . . 32 ARG HD# . 17322 1 356 . 1 1 32 32 ARG CA C 13 56.3310 0.2928 . 1 . . . . 32 ARG CA . 17322 1 357 . 1 1 32 32 ARG CB C 13 30.4050 0.2928 . 1 . . . . 32 ARG CB . 17322 1 358 . 1 1 32 32 ARG CG C 13 26.6690 0.2928 . 1 . . . . 32 ARG CG . 17322 1 359 . 1 1 32 32 ARG CD C 13 43.2000 0.2928 . 1 . . . . 32 ARG CD . 17322 1 360 . 1 1 32 32 ARG N N 15 122.2620 0.1167 . 1 . . . . 32 ARG N . 17322 1 361 . 1 1 33 33 VAL H H 1 8.9470 0.0600 . 1 . . . . 33 VAL HN . 17322 1 362 . 1 1 33 33 VAL HA H 1 4.0800 0.0600 . 1 . . . . 33 VAL HA . 17322 1 363 . 1 1 33 33 VAL HB H 1 1.7550 0.0600 . 1 . . . . 33 VAL HB . 17322 1 364 . 1 1 33 33 VAL HG11 H 1 0.3870 0.0600 . 1 . . . . 33 VAL HG1# . 17322 1 365 . 1 1 33 33 VAL HG12 H 1 0.3870 0.0600 . 1 . . . . 33 VAL HG1# . 17322 1 366 . 1 1 33 33 VAL HG13 H 1 0.3870 0.0600 . 1 . . . . 33 VAL HG1# . 17322 1 367 . 1 1 33 33 VAL HG21 H 1 0.3870 0.0600 . 1 . . . . 33 VAL HG2# . 17322 1 368 . 1 1 33 33 VAL HG22 H 1 0.3870 0.0600 . 1 . . . . 33 VAL HG2# . 17322 1 369 . 1 1 33 33 VAL HG23 H 1 0.3870 0.0600 . 1 . . . . 33 VAL HG2# . 17322 1 370 . 1 1 33 33 VAL CA C 13 61.3350 0.2928 . 1 . . . . 33 VAL CA . 17322 1 371 . 1 1 33 33 VAL CB C 13 33.9620 0.2928 . 1 . . . . 33 VAL CB . 17322 1 372 . 1 1 33 33 VAL CG1 C 13 21.4680 0.2928 . 1 . . . . 33 VAL CG1 . 17322 1 373 . 1 1 33 33 VAL CG2 C 13 21.4680 0.2928 . 1 . . . . 33 VAL CG2 . 17322 1 374 . 1 1 33 33 VAL N N 15 126.9150 0.1167 . 1 . . . . 33 VAL N . 17322 1 375 . 1 1 34 34 GLU H H 1 8.2790 0.0600 . 1 . . . . 34 GLU HN . 17322 1 376 . 1 1 34 34 GLU HA H 1 4.8560 0.0600 . 1 . . . . 34 GLU HA . 17322 1 377 . 1 1 34 34 GLU HB2 H 1 1.7850 0.0600 . 1 . . . . 34 GLU HB# . 17322 1 378 . 1 1 34 34 GLU HB3 H 1 1.7850 0.0600 . 1 . . . . 34 GLU HB# . 17322 1 379 . 1 1 34 34 GLU HG2 H 1 2.2220 0.0600 . 1 . . . . 34 GLU HG# . 17322 1 380 . 1 1 34 34 GLU HG3 H 1 2.2220 0.0600 . 1 . . . . 34 GLU HG# . 17322 1 381 . 1 1 34 34 GLU CA C 13 54.5100 0.2928 . 1 . . . . 34 GLU CA . 17322 1 382 . 1 1 34 34 GLU CB C 13 30.2790 0.2928 . 1 . . . . 34 GLU CB . 17322 1 383 . 1 1 34 34 GLU CG C 13 33.9540 0.2928 . 1 . . . . 34 GLU CG . 17322 1 384 . 1 1 34 34 GLU N N 15 123.2840 0.1167 . 1 . . . . 34 GLU N . 17322 1 385 . 1 1 35 35 PHE H H 1 9.1230 0.0600 . 1 . . . . 35 PHE HN . 17322 1 386 . 1 1 35 35 PHE HA H 1 4.7510 0.0600 . 1 . . . . 35 PHE HA . 17322 1 387 . 1 1 35 35 PHE HB2 H 1 2.6000 0.0600 . 2 . . . . 35 PHE HB1 . 17322 1 388 . 1 1 35 35 PHE HB3 H 1 2.9430 0.0600 . 2 . . . . 35 PHE HB2 . 17322 1 389 . 1 1 35 35 PHE HD1 H 1 7.1700 0.0600 . 1 . . . . 35 PHE HD1 . 17322 1 390 . 1 1 35 35 PHE HD2 H 1 7.1700 0.0600 . 1 . . . . 35 PHE HD2 . 17322 1 391 . 1 1 35 35 PHE HE1 H 1 7.0000 0.0600 . 1 . . . . 35 PHE HE1 . 17322 1 392 . 1 1 35 35 PHE HE2 H 1 7.0000 0.0600 . 1 . . . . 35 PHE HE2 . 17322 1 393 . 1 1 35 35 PHE CA C 13 57.3540 0.2928 . 1 . . . . 35 PHE CA . 17322 1 394 . 1 1 35 35 PHE CB C 13 42.5160 0.2928 . 1 . . . . 35 PHE CB . 17322 1 395 . 1 1 35 35 PHE CD1 C 13 132.3030 0.2928 . 1 . . . . 35 PHE CD1 . 17322 1 396 . 1 1 35 35 PHE CD2 C 13 132.3030 0.2928 . 1 . . . . 35 PHE CD2 . 17322 1 397 . 1 1 35 35 PHE CE1 C 13 131.0100 0.2928 . 1 . . . . 35 PHE CE1 . 17322 1 398 . 1 1 35 35 PHE CE2 C 13 131.0100 0.2928 . 1 . . . . 35 PHE CE2 . 17322 1 399 . 1 1 35 35 PHE CZ C 13 129.1000 0.2928 . 1 . . . . 35 PHE CZ . 17322 1 400 . 1 1 35 35 PHE N N 15 122.4330 0.1167 . 1 . . . . 35 PHE N . 17322 1 401 . 1 1 36 36 THR H H 1 8.1950 0.0600 . 1 . . . . 36 THR HN . 17322 1 402 . 1 1 36 36 THR HA H 1 4.9710 0.0600 . 1 . . . . 36 THR HA . 17322 1 403 . 1 1 36 36 THR HB H 1 4.6330 0.0600 . 1 . . . . 36 THR HB . 17322 1 404 . 1 1 36 36 THR HG21 H 1 1.2590 0.0600 . 1 . . . . 36 THR HG2# . 17322 1 405 . 1 1 36 36 THR HG22 H 1 1.2590 0.0600 . 1 . . . . 36 THR HG2# . 17322 1 406 . 1 1 36 36 THR HG23 H 1 1.2590 0.0600 . 1 . . . . 36 THR HG2# . 17322 1 407 . 1 1 36 36 THR CA C 13 59.6380 0.2928 . 1 . . . . 36 THR CA . 17322 1 408 . 1 1 36 36 THR CB C 13 72.2420 0.2928 . 1 . . . . 36 THR CB . 17322 1 409 . 1 1 36 36 THR CG2 C 13 21.1880 0.2928 . 1 . . . . 36 THR CG2 . 17322 1 410 . 1 1 36 36 THR N N 15 110.2930 0.1167 . 1 . . . . 36 THR N . 17322 1 411 . 1 1 37 37 ALA H H 1 9.0699 0.0600 . 1 . . . . 37 ALA HN . 17322 1 412 . 1 1 37 37 ALA HA H 1 4.1300 0.0600 . 1 . . . . 37 ALA HA . 17322 1 413 . 1 1 37 37 ALA HB1 H 1 1.5650 0.0600 . 1 . . . . 37 ALA HB# . 17322 1 414 . 1 1 37 37 ALA HB2 H 1 1.5650 0.0600 . 1 . . . . 37 ALA HB# . 17322 1 415 . 1 1 37 37 ALA HB3 H 1 1.5650 0.0600 . 1 . . . . 37 ALA HB# . 17322 1 416 . 1 1 37 37 ALA CA C 13 55.2230 0.2928 . 1 . . . . 37 ALA CA . 17322 1 417 . 1 1 37 37 ALA CB C 13 18.6230 0.2928 . 1 . . . . 37 ALA CB . 17322 1 418 . 1 1 37 37 ALA N N 15 121.7700 0.1167 . 1 . . . . 37 ALA N . 17322 1 419 . 1 1 38 38 THR H H 1 7.8950 0.0600 . 1 . . . . 38 THR HN . 17322 1 420 . 1 1 38 38 THR HA H 1 4.3290 0.0600 . 1 . . . . 38 THR HA . 17322 1 421 . 1 1 38 38 THR HB H 1 4.3290 0.0600 . 1 . . . . 38 THR HB . 17322 1 422 . 1 1 38 38 THR HG21 H 1 1.2910 0.0600 . 1 . . . . 38 THR HG2# . 17322 1 423 . 1 1 38 38 THR HG22 H 1 1.2910 0.0600 . 1 . . . . 38 THR HG2# . 17322 1 424 . 1 1 38 38 THR HG23 H 1 1.2910 0.0600 . 1 . . . . 38 THR HG2# . 17322 1 425 . 1 1 38 38 THR CA C 13 63.4900 0.2928 . 1 . . . . 38 THR CA . 17322 1 426 . 1 1 38 38 THR CB C 13 68.7090 0.2928 . 1 . . . . 38 THR CB . 17322 1 427 . 1 1 38 38 THR CG2 C 13 21.8730 0.2928 . 1 . . . . 38 THR CG2 . 17322 1 428 . 1 1 38 38 THR N N 15 107.0320 0.1167 . 1 . . . . 38 THR N . 17322 1 429 . 1 1 39 39 SER H H 1 8.1320 0.0600 . 1 . . . . 39 SER HN . 17322 1 430 . 1 1 39 39 SER HA H 1 5.1080 0.0600 . 1 . . . . 39 SER HA . 17322 1 431 . 1 1 39 39 SER HB2 H 1 3.9630 0.0600 . 2 . . . . 39 SER HB1 . 17322 1 432 . 1 1 39 39 SER HB3 H 1 4.5530 0.0600 . 2 . . . . 39 SER HB2 . 17322 1 433 . 1 1 39 39 SER CA C 13 56.5410 0.2928 . 1 . . . . 39 SER CA . 17322 1 434 . 1 1 39 39 SER CB C 13 63.3230 0.2928 . 1 . . . . 39 SER CB . 17322 1 435 . 1 1 39 39 SER N N 15 115.8240 0.1167 . 1 . . . . 39 SER N . 17322 1 436 . 1 1 40 40 VAL H H 1 7.4280 0.0600 . 1 . . . . 40 VAL HN . 17322 1 437 . 1 1 40 40 VAL HA H 1 3.6560 0.0600 . 1 . . . . 40 VAL HA . 17322 1 438 . 1 1 40 40 VAL HB H 1 2.1520 0.0600 . 1 . . . . 40 VAL HB . 17322 1 439 . 1 1 40 40 VAL HG11 H 1 0.9870 0.0600 . 1 . . . . 40 VAL HG1# . 17322 1 440 . 1 1 40 40 VAL HG12 H 1 0.9870 0.0600 . 1 . . . . 40 VAL HG1# . 17322 1 441 . 1 1 40 40 VAL HG13 H 1 0.9870 0.0600 . 1 . . . . 40 VAL HG1# . 17322 1 442 . 1 1 40 40 VAL HG21 H 1 1.0760 0.0600 . 1 . . . . 40 VAL HG2# . 17322 1 443 . 1 1 40 40 VAL HG22 H 1 1.0760 0.0600 . 1 . . . . 40 VAL HG2# . 17322 1 444 . 1 1 40 40 VAL HG23 H 1 1.0760 0.0600 . 1 . . . . 40 VAL HG2# . 17322 1 445 . 1 1 40 40 VAL CA C 13 66.5230 0.2928 . 1 . . . . 40 VAL CA . 17322 1 446 . 1 1 40 40 VAL CB C 13 31.9010 0.2928 . 1 . . . . 40 VAL CB . 17322 1 447 . 1 1 40 40 VAL CG1 C 13 23.4800 0.2928 . 2 . . . . 40 VAL CG1 . 17322 1 448 . 1 1 40 40 VAL CG2 C 13 20.9040 0.2928 . 2 . . . . 40 VAL CG2 . 17322 1 449 . 1 1 40 40 VAL N N 15 122.6310 0.1167 . 1 . . . . 40 VAL N . 17322 1 450 . 1 1 41 41 SER H H 1 8.9680 0.0600 . 1 . . . . 41 SER HN . 17322 1 451 . 1 1 41 41 SER HA H 1 4.1030 0.0600 . 1 . . . . 41 SER HA . 17322 1 452 . 1 1 41 41 SER HB2 H 1 3.9400 0.0600 . 1 . . . . 41 SER HB# . 17322 1 453 . 1 1 41 41 SER HB3 H 1 3.9400 0.0600 . 1 . . . . 41 SER HB# . 17322 1 454 . 1 1 41 41 SER CA C 13 61.7990 0.2928 . 1 . . . . 41 SER CA . 17322 1 455 . 1 1 41 41 SER CB C 13 61.8980 0.2928 . 1 . . . . 41 SER CB . 17322 1 456 . 1 1 41 41 SER N N 15 116.2550 0.1167 . 1 . . . . 41 SER N . 17322 1 457 . 1 1 42 42 ASP H H 1 7.7580 0.0600 . 1 . . . . 42 ASP HN . 17322 1 458 . 1 1 42 42 ASP HA H 1 4.5170 0.0600 . 1 . . . . 42 ASP HA . 17322 1 459 . 1 1 42 42 ASP HB2 H 1 2.9060 0.0600 . 2 . . . . 42 ASP HB1 . 17322 1 460 . 1 1 42 42 ASP HB3 H 1 3.1320 0.0600 . 2 . . . . 42 ASP HB2 . 17322 1 461 . 1 1 42 42 ASP CA C 13 56.9130 0.2928 . 1 . . . . 42 ASP CA . 17322 1 462 . 1 1 42 42 ASP CB C 13 39.8760 0.2928 . 1 . . . . 42 ASP CB . 17322 1 463 . 1 1 42 42 ASP N N 15 121.8900 0.1167 . 1 . . . . 42 ASP N . 17322 1 464 . 1 1 43 43 LEU H H 1 7.7210 0.0600 . 1 . . . . 43 LEU HN . 17322 1 465 . 1 1 43 43 LEU HA H 1 3.7510 0.0600 . 1 . . . . 43 LEU HA . 17322 1 466 . 1 1 43 43 LEU HB2 H 1 1.7970 0.0600 . 1 . . . . 43 LEU HB# . 17322 1 467 . 1 1 43 43 LEU HB3 H 1 1.7970 0.0600 . 1 . . . . 43 LEU HB# . 17322 1 468 . 1 1 43 43 LEU HG H 1 1.2850 0.0600 . 1 . . . . 43 LEU HG . 17322 1 469 . 1 1 43 43 LEU HD11 H 1 0.5420 0.0600 . 1 . . . . 43 LEU HD1# . 17322 1 470 . 1 1 43 43 LEU HD12 H 1 0.5420 0.0600 . 1 . . . . 43 LEU HD1# . 17322 1 471 . 1 1 43 43 LEU HD13 H 1 0.5420 0.0600 . 1 . . . . 43 LEU HD1# . 17322 1 472 . 1 1 43 43 LEU HD21 H 1 0.5420 0.0600 . 1 . . . . 43 LEU HD2# . 17322 1 473 . 1 1 43 43 LEU HD22 H 1 0.5420 0.0600 . 1 . . . . 43 LEU HD2# . 17322 1 474 . 1 1 43 43 LEU HD23 H 1 0.5420 0.0600 . 1 . . . . 43 LEU HD2# . 17322 1 475 . 1 1 43 43 LEU CA C 13 57.3600 0.2928 . 1 . . . . 43 LEU CA . 17322 1 476 . 1 1 43 43 LEU CB C 13 40.1010 0.2928 . 1 . . . . 43 LEU CB . 17322 1 477 . 1 1 43 43 LEU CG C 13 26.0680 0.2928 . 1 . . . . 43 LEU CG . 17322 1 478 . 1 1 43 43 LEU CD1 C 13 21.3780 0.2928 . 1 . . . . 43 LEU CD1 . 17322 1 479 . 1 1 43 43 LEU CD2 C 13 21.3780 0.2928 . 1 . . . . 43 LEU CD2 . 17322 1 480 . 1 1 43 43 LEU N N 15 124.3900 0.1167 . 1 . . . . 43 LEU N . 17322 1 481 . 1 1 44 44 LYS H H 1 8.5000 0.0600 . 1 . . . . 44 LYS HN . 17322 1 482 . 1 1 44 44 LYS HA H 1 3.8310 0.0600 . 1 . . . . 44 LYS HA . 17322 1 483 . 1 1 44 44 LYS HB2 H 1 1.8800 0.0600 . 1 . . . . 44 LYS HB# . 17322 1 484 . 1 1 44 44 LYS HB3 H 1 1.8800 0.0600 . 1 . . . . 44 LYS HB# . 17322 1 485 . 1 1 44 44 LYS HG2 H 1 1.3500 0.0600 . 1 . . . . 44 LYS HG# . 17322 1 486 . 1 1 44 44 LYS HG3 H 1 1.3500 0.0600 . 1 . . . . 44 LYS HG# . 17322 1 487 . 1 1 44 44 LYS HD2 H 1 1.6650 0.0600 . 1 . . . . 44 LYS HD# . 17322 1 488 . 1 1 44 44 LYS HD3 H 1 1.6650 0.0600 . 1 . . . . 44 LYS HD# . 17322 1 489 . 1 1 44 44 LYS HE2 H 1 2.8170 0.0600 . 1 . . . . 44 LYS HE1 . 17322 1 490 . 1 1 44 44 LYS HE3 H 1 2.8170 0.0600 . 1 . . . . 44 LYS HE2 . 17322 1 491 . 1 1 44 44 LYS CA C 13 60.8430 0.2928 . 1 . . . . 44 LYS CA . 17322 1 492 . 1 1 44 44 LYS CB C 13 32.0140 0.2928 . 1 . . . . 44 LYS CB . 17322 1 493 . 1 1 44 44 LYS CG C 13 26.7220 0.2928 . 1 . . . . 44 LYS CG . 17322 1 494 . 1 1 44 44 LYS CD C 13 29.5900 0.2928 . 1 . . . . 44 LYS CD . 17322 1 495 . 1 1 44 44 LYS CE C 13 41.7170 0.2928 . 1 . . . . 44 LYS CE . 17322 1 496 . 1 1 44 44 LYS N N 15 118.7450 0.1167 . 1 . . . . 44 LYS N . 17322 1 497 . 1 1 45 45 LYS H H 1 7.8620 0.0600 . 1 . . . . 45 LYS HN . 17322 1 498 . 1 1 45 45 LYS HA H 1 4.1070 0.0600 . 1 . . . . 45 LYS HA . 17322 1 499 . 1 1 45 45 LYS HB2 H 1 1.9810 0.0600 . 1 . . . . 45 LYS HB# . 17322 1 500 . 1 1 45 45 LYS HB3 H 1 1.9810 0.0600 . 1 . . . . 45 LYS HB# . 17322 1 501 . 1 1 45 45 LYS HG2 H 1 1.4570 0.0600 . 1 . . . . 45 LYS HG# . 17322 1 502 . 1 1 45 45 LYS HG3 H 1 1.4570 0.0600 . 1 . . . . 45 LYS HG# . 17322 1 503 . 1 1 45 45 LYS HD2 H 1 1.6380 0.0600 . 1 . . . . 45 LYS HD# . 17322 1 504 . 1 1 45 45 LYS HD3 H 1 1.6380 0.0600 . 1 . . . . 45 LYS HD# . 17322 1 505 . 1 1 45 45 LYS HE2 H 1 2.9820 0.0600 . 1 . . . . 45 LYS HE# . 17322 1 506 . 1 1 45 45 LYS HE3 H 1 2.9820 0.0600 . 1 . . . . 45 LYS HE# . 17322 1 507 . 1 1 45 45 LYS CA C 13 59.5480 0.2928 . 1 . . . . 45 LYS CA . 17322 1 508 . 1 1 45 45 LYS CB C 13 32.4530 0.2928 . 1 . . . . 45 LYS CB . 17322 1 509 . 1 1 45 45 LYS CG C 13 25.1130 0.2928 . 1 . . . . 45 LYS CG . 17322 1 510 . 1 1 45 45 LYS CD C 13 29.4200 0.2928 . 1 . . . . 45 LYS CD . 17322 1 511 . 1 1 45 45 LYS CE C 13 41.9390 0.2928 . 1 . . . . 45 LYS CE . 17322 1 512 . 1 1 45 45 LYS N N 15 120.5500 0.1167 . 1 . . . . 45 LYS N . 17322 1 513 . 1 1 46 46 TYR H H 1 7.7350 0.0600 . 1 . . . . 46 TYR HN . 17322 1 514 . 1 1 46 46 TYR HA H 1 4.6710 0.0600 . 1 . . . . 46 TYR HA . 17322 1 515 . 1 1 46 46 TYR HB2 H 1 3.2150 0.0600 . 2 . . . . 46 TYR HB1 . 17322 1 516 . 1 1 46 46 TYR HB3 H 1 3.3020 0.0600 . 2 . . . . 46 TYR HB2 . 17322 1 517 . 1 1 46 46 TYR HD1 H 1 6.9900 0.0600 . 1 . . . . 46 TYR HD1 . 17322 1 518 . 1 1 46 46 TYR HD2 H 1 6.9900 0.0600 . 1 . . . . 46 TYR HD2 . 17322 1 519 . 1 1 46 46 TYR HE1 H 1 6.7100 0.0600 . 1 . . . . 46 TYR HE1 . 17322 1 520 . 1 1 46 46 TYR HE2 H 1 6.7100 0.0600 . 1 . . . . 46 TYR HE2 . 17322 1 521 . 1 1 46 46 TYR CA C 13 58.8800 0.2928 . 1 . . . . 46 TYR CA . 17322 1 522 . 1 1 46 46 TYR CB C 13 37.8840 0.2928 . 1 . . . . 46 TYR CB . 17322 1 523 . 1 1 46 46 TYR CD1 C 13 132.2100 0.2928 . 1 . . . . 46 TYR CD1 . 17322 1 524 . 1 1 46 46 TYR CD2 C 13 132.2100 0.2928 . 1 . . . . 46 TYR CD2 . 17322 1 525 . 1 1 46 46 TYR CE1 C 13 117.9300 0.2928 . 1 . . . . 46 TYR CE1 . 17322 1 526 . 1 1 46 46 TYR CE2 C 13 117.9300 0.2928 . 1 . . . . 46 TYR CE2 . 17322 1 527 . 1 1 46 46 TYR N N 15 121.9430 0.1167 . 1 . . . . 46 TYR N . 17322 1 528 . 1 1 47 47 ILE H H 1 8.3260 0.0600 . 1 . . . . 47 ILE HN . 17322 1 529 . 1 1 47 47 ILE HA H 1 3.0810 0.0600 . 1 . . . . 47 ILE HA . 17322 1 530 . 1 1 47 47 ILE HB H 1 1.7110 0.0600 . 1 . . . . 47 ILE HB . 17322 1 531 . 1 1 47 47 ILE HG12 H 1 1.6200 0.0600 . 1 . . . . 47 ILE HG1# . 17322 1 532 . 1 1 47 47 ILE HG13 H 1 1.6200 0.0600 . 1 . . . . 47 ILE HG1# . 17322 1 533 . 1 1 47 47 ILE HG21 H 1 0.6700 0.0600 . 1 . . . . 47 ILE HG2# . 17322 1 534 . 1 1 47 47 ILE HG22 H 1 0.6700 0.0600 . 1 . . . . 47 ILE HG2# . 17322 1 535 . 1 1 47 47 ILE HG23 H 1 0.6700 0.0600 . 1 . . . . 47 ILE HG2# . 17322 1 536 . 1 1 47 47 ILE HD11 H 1 0.7330 0.0600 . 1 . . . . 47 ILE HD1# . 17322 1 537 . 1 1 47 47 ILE HD12 H 1 0.7330 0.0600 . 1 . . . . 47 ILE HD1# . 17322 1 538 . 1 1 47 47 ILE HD13 H 1 0.7330 0.0600 . 1 . . . . 47 ILE HD1# . 17322 1 539 . 1 1 47 47 ILE CA C 13 66.1150 0.2928 . 1 . . . . 47 ILE CA . 17322 1 540 . 1 1 47 47 ILE CB C 13 38.2310 0.2928 . 1 . . . . 47 ILE CB . 17322 1 541 . 1 1 47 47 ILE CG1 C 13 31.9540 0.2928 . 1 . . . . 47 ILE CG1 . 17322 1 542 . 1 1 47 47 ILE CG2 C 13 16.5080 0.2928 . 1 . . . . 47 ILE CG2 . 17322 1 543 . 1 1 47 47 ILE CD1 C 13 15.0480 0.2928 . 1 . . . . 47 ILE CD1 . 17322 1 544 . 1 1 47 47 ILE N N 15 119.1180 0.1167 . 1 . . . . 47 ILE N . 17322 1 545 . 1 1 48 48 ALA H H 1 7.7980 0.0600 . 1 . . . . 48 ALA HN . 17322 1 546 . 1 1 48 48 ALA HA H 1 4.1200 0.0600 . 1 . . . . 48 ALA HA . 17322 1 547 . 1 1 48 48 ALA HB1 H 1 1.4580 0.0600 . 1 . . . . 48 ALA HB# . 17322 1 548 . 1 1 48 48 ALA HB2 H 1 1.4580 0.0600 . 1 . . . . 48 ALA HB# . 17322 1 549 . 1 1 48 48 ALA HB3 H 1 1.4580 0.0600 . 1 . . . . 48 ALA HB# . 17322 1 550 . 1 1 48 48 ALA CA C 13 54.8010 0.2928 . 1 . . . . 48 ALA CA . 17322 1 551 . 1 1 48 48 ALA CB C 13 17.6000 0.2928 . 1 . . . . 48 ALA CB . 17322 1 552 . 1 1 48 48 ALA N N 15 119.9820 0.1167 . 1 . . . . 48 ALA N . 17322 1 553 . 1 1 49 49 GLU H H 1 7.9580 0.0600 . 1 . . . . 49 GLU HN . 17322 1 554 . 1 1 49 49 GLU HA H 1 4.1050 0.0600 . 1 . . . . 49 GLU HA . 17322 1 555 . 1 1 49 49 GLU HB2 H 1 2.2120 0.0600 . 2 . . . . 49 GLU HB1 . 17322 1 556 . 1 1 49 49 GLU HB3 H 1 2.4160 0.0600 . 2 . . . . 49 GLU HB2 . 17322 1 557 . 1 1 49 49 GLU HG2 H 1 2.6810 0.0600 . 1 . . . . 49 GLU HG# . 17322 1 558 . 1 1 49 49 GLU HG3 H 1 2.6810 0.0600 . 1 . . . . 49 GLU HG# . 17322 1 559 . 1 1 49 49 GLU CA C 13 58.4350 0.2928 . 1 . . . . 49 GLU CA . 17322 1 560 . 1 1 49 49 GLU CB C 13 27.7670 0.2928 . 1 . . . . 49 GLU CB . 17322 1 561 . 1 1 49 49 GLU CG C 13 33.5900 0.2928 . 1 . . . . 49 GLU CG . 17322 1 562 . 1 1 49 49 GLU N N 15 118.3860 0.1167 . 1 . . . . 49 GLU N . 17322 1 563 . 1 1 50 50 LEU H H 1 8.1970 0.0600 . 1 . . . . 50 LEU HN . 17322 1 564 . 1 1 50 50 LEU HA H 1 4.0100 0.0600 . 1 . . . . 50 LEU HA . 17322 1 565 . 1 1 50 50 LEU HB2 H 1 1.0860 0.0600 . 2 . . . . 50 LEU HB1 . 17322 1 566 . 1 1 50 50 LEU HB3 H 1 1.8960 0.0600 . 2 . . . . 50 LEU HB2 . 17322 1 567 . 1 1 50 50 LEU HG H 1 1.3350 0.0600 . 1 . . . . 50 LEU HG . 17322 1 568 . 1 1 50 50 LEU HD11 H 1 0.1780 0.0600 . 1 . . . . 50 LEU HD1# . 17322 1 569 . 1 1 50 50 LEU HD12 H 1 0.1780 0.0600 . 1 . . . . 50 LEU HD1# . 17322 1 570 . 1 1 50 50 LEU HD13 H 1 0.1780 0.0600 . 1 . . . . 50 LEU HD1# . 17322 1 571 . 1 1 50 50 LEU HD21 H 1 0.7560 0.0600 . 1 . . . . 50 LEU HD2# . 17322 1 572 . 1 1 50 50 LEU HD22 H 1 0.7560 0.0600 . 1 . . . . 50 LEU HD2# . 17322 1 573 . 1 1 50 50 LEU HD23 H 1 0.7560 0.0600 . 1 . . . . 50 LEU HD2# . 17322 1 574 . 1 1 50 50 LEU CA C 13 57.0300 0.2928 . 1 . . . . 50 LEU CA . 17322 1 575 . 1 1 50 50 LEU CB C 13 43.3860 0.2928 . 1 . . . . 50 LEU CB . 17322 1 576 . 1 1 50 50 LEU CG C 13 25.3000 0.2928 . 1 . . . . 50 LEU CG . 17322 1 577 . 1 1 50 50 LEU CD1 C 13 22.0990 0.2928 . 1 . . . . 50 LEU CD1 . 17322 1 578 . 1 1 50 50 LEU CD2 C 13 22.0990 0.2928 . 1 . . . . 50 LEU CD2 . 17322 1 579 . 1 1 50 50 LEU N N 15 120.4370 0.1167 . 1 . . . . 50 LEU N . 17322 1 580 . 1 1 51 51 GLU H H 1 8.2820 0.0600 . 1 . . . . 51 GLU HN . 17322 1 581 . 1 1 51 51 GLU HA H 1 3.9270 0.0600 . 1 . . . . 51 GLU HA . 17322 1 582 . 1 1 51 51 GLU HB2 H 1 2.0190 0.0600 . 2 . . . . 51 GLU HB1 . 17322 1 583 . 1 1 51 51 GLU HB3 H 1 2.2550 0.0600 . 2 . . . . 51 GLU HB2 . 17322 1 584 . 1 1 51 51 GLU HG2 H 1 2.6610 0.0600 . 1 . . . . 51 GLU HG# . 17322 1 585 . 1 1 51 51 GLU HG3 H 1 2.6610 0.0600 . 1 . . . . 51 GLU HG# . 17322 1 586 . 1 1 51 51 GLU CA C 13 58.4030 0.2928 . 1 . . . . 51 GLU CA . 17322 1 587 . 1 1 51 51 GLU CB C 13 28.5120 0.2928 . 1 . . . . 51 GLU CB . 17322 1 588 . 1 1 51 51 GLU CG C 13 34.7970 0.2928 . 1 . . . . 51 GLU CG . 17322 1 589 . 1 1 51 51 GLU N N 15 118.4580 0.1167 . 1 . . . . 51 GLU N . 17322 1 590 . 1 1 52 52 VAL H H 1 7.5430 0.0600 . 1 . . . . 52 VAL HN . 17322 1 591 . 1 1 52 52 VAL HA H 1 3.9300 0.0600 . 1 . . . . 52 VAL HA . 17322 1 592 . 1 1 52 52 VAL HB H 1 2.2250 0.0600 . 1 . . . . 52 VAL HB . 17322 1 593 . 1 1 52 52 VAL HG11 H 1 0.9710 0.0600 . 1 . . . . 52 VAL HG1# . 17322 1 594 . 1 1 52 52 VAL HG12 H 1 0.9710 0.0600 . 1 . . . . 52 VAL HG1# . 17322 1 595 . 1 1 52 52 VAL HG13 H 1 0.9710 0.0600 . 1 . . . . 52 VAL HG1# . 17322 1 596 . 1 1 52 52 VAL HG21 H 1 1.0800 0.0600 . 1 . . . . 52 VAL HG2# . 17322 1 597 . 1 1 52 52 VAL HG22 H 1 1.0800 0.0600 . 1 . . . . 52 VAL HG2# . 17322 1 598 . 1 1 52 52 VAL HG23 H 1 1.0800 0.0600 . 1 . . . . 52 VAL HG2# . 17322 1 599 . 1 1 52 52 VAL CA C 13 64.4150 0.2928 . 1 . . . . 52 VAL CA . 17322 1 600 . 1 1 52 52 VAL CB C 13 31.9340 0.2928 . 1 . . . . 52 VAL CB . 17322 1 601 . 1 1 52 52 VAL CG1 C 13 21.3810 0.2928 . 1 . . . . 52 VAL CG1 . 17322 1 602 . 1 1 52 52 VAL CG2 C 13 21.3810 0.2928 . 1 . . . . 52 VAL CG2 . 17322 1 603 . 1 1 52 52 VAL N N 15 118.5220 0.1167 . 1 . . . . 52 VAL N . 17322 1 604 . 1 1 53 53 GLN H H 1 8.1860 0.0600 . 1 . . . . 53 GLN HN . 17322 1 605 . 1 1 53 53 GLN HA H 1 4.2540 0.0600 . 1 . . . . 53 GLN HA . 17322 1 606 . 1 1 53 53 GLN HB2 H 1 2.1190 0.0600 . 1 . . . . 53 GLN HB# . 17322 1 607 . 1 1 53 53 GLN HB3 H 1 2.1190 0.0600 . 1 . . . . 53 GLN HB# . 17322 1 608 . 1 1 53 53 GLN HG2 H 1 2.4310 0.0600 . 2 . . . . 53 GLN HG1 . 17322 1 609 . 1 1 53 53 GLN HG3 H 1 2.5480 0.0600 . 2 . . . . 53 GLN HG2 . 17322 1 610 . 1 1 53 53 GLN CA C 13 57.2420 0.2928 . 1 . . . . 53 GLN CA . 17322 1 611 . 1 1 53 53 GLN CB C 13 29.0230 0.2928 . 1 . . . . 53 GLN CB . 17322 1 612 . 1 1 53 53 GLN CG C 13 33.7800 0.2928 . 1 . . . . 53 GLN CG . 17322 1 613 . 1 1 53 53 GLN N N 15 121.0440 0.1167 . 1 . . . . 53 GLN N . 17322 1 614 . 1 1 54 54 THR H H 1 8.0740 0.0600 . 1 . . . . 54 THR HN . 17322 1 615 . 1 1 54 54 THR HA H 1 4.3030 0.0600 . 1 . . . . 54 THR HA . 17322 1 616 . 1 1 54 54 THR HB H 1 4.3030 0.0600 . 1 . . . . 54 THR HB . 17322 1 617 . 1 1 54 54 THR HG21 H 1 1.2230 0.0600 . 1 . . . . 54 THR HG2# . 17322 1 618 . 1 1 54 54 THR HG22 H 1 1.2230 0.0600 . 1 . . . . 54 THR HG2# . 17322 1 619 . 1 1 54 54 THR HG23 H 1 1.2230 0.0600 . 1 . . . . 54 THR HG2# . 17322 1 620 . 1 1 54 54 THR CA C 13 62.6090 0.2928 . 1 . . . . 54 THR CA . 17322 1 621 . 1 1 54 54 THR CB C 13 69.7970 0.2928 . 1 . . . . 54 THR CB . 17322 1 622 . 1 1 54 54 THR CG2 C 13 21.5200 0.2928 . 1 . . . . 54 THR CG2 . 17322 1 623 . 1 1 54 54 THR N N 15 111.8560 0.1167 . 1 . . . . 54 THR N . 17322 1 624 . 1 1 55 55 GLY H H 1 8.1170 0.0600 . 1 . . . . 55 GLY HN . 17322 1 625 . 1 1 55 55 GLY HA2 H 1 4.0050 0.0600 . 1 . . . . 55 GLY HA# . 17322 1 626 . 1 1 55 55 GLY HA3 H 1 4.0050 0.0600 . 1 . . . . 55 GLY HA# . 17322 1 627 . 1 1 55 55 GLY CA C 13 45.5560 0.2928 . 1 . . . . 55 GLY CA . 17322 1 628 . 1 1 55 55 GLY N N 15 110.1480 0.1167 . 1 . . . . 55 GLY N . 17322 1 629 . 1 1 56 56 MET H H 1 8.1300 0.0600 . 1 . . . . 56 MET HN . 17322 1 630 . 1 1 56 56 MET HA H 1 4.4920 0.0600 . 1 . . . . 56 MET HA . 17322 1 631 . 1 1 56 56 MET HB2 H 1 2.0590 0.0600 . 1 . . . . 56 MET HB# . 17322 1 632 . 1 1 56 56 MET HB3 H 1 2.0590 0.0600 . 1 . . . . 56 MET HB# . 17322 1 633 . 1 1 56 56 MET HG2 H 1 2.5410 0.0600 . 2 . . . . 56 MET HG1 . 17322 1 634 . 1 1 56 56 MET HG3 H 1 2.6250 0.0600 . 2 . . . . 56 MET HG2 . 17322 1 635 . 1 1 56 56 MET HE1 H 1 2.1080 0.0600 . 1 . . . . 56 MET HE# . 17322 1 636 . 1 1 56 56 MET HE2 H 1 2.1080 0.0600 . 1 . . . . 56 MET HE# . 17322 1 637 . 1 1 56 56 MET HE3 H 1 2.1080 0.0600 . 1 . . . . 56 MET HE# . 17322 1 638 . 1 1 56 56 MET CA C 13 55.9840 0.2928 . 1 . . . . 56 MET CA . 17322 1 639 . 1 1 56 56 MET CB C 13 32.5410 0.2928 . 1 . . . . 56 MET CB . 17322 1 640 . 1 1 56 56 MET N N 15 119.7070 0.1167 . 1 . . . . 56 MET N . 17322 1 641 . 1 1 57 57 THR H H 1 8.0930 0.0600 . 1 . . . . 57 THR HN . 17322 1 642 . 1 1 57 57 THR HA H 1 4.3050 0.0600 . 1 . . . . 57 THR HA . 17322 1 643 . 1 1 57 57 THR HB H 1 4.3050 0.0600 . 1 . . . . 57 THR HB . 17322 1 644 . 1 1 57 57 THR HG21 H 1 1.1980 0.0600 . 1 . . . . 57 THR HG2# . 17322 1 645 . 1 1 57 57 THR HG22 H 1 1.1980 0.0600 . 1 . . . . 57 THR HG2# . 17322 1 646 . 1 1 57 57 THR HG23 H 1 1.1980 0.0600 . 1 . . . . 57 THR HG2# . 17322 1 647 . 1 1 57 57 THR CA C 13 62.1760 0.2928 . 1 . . . . 57 THR CA . 17322 1 648 . 1 1 57 57 THR CB C 13 69.6110 0.2928 . 1 . . . . 57 THR CB . 17322 1 649 . 1 1 57 57 THR CG2 C 13 21.5500 0.2928 . 1 . . . . 57 THR CG2 . 17322 1 650 . 1 1 57 57 THR N N 15 114.6700 0.1167 . 1 . . . . 57 THR N . 17322 1 651 . 1 1 58 58 GLN H H 1 8.3590 0.0600 . 1 . . . . 58 GLN HN . 17322 1 652 . 1 1 58 58 GLN HA H 1 4.3050 0.0600 . 1 . . . . 58 GLN HA . 17322 1 653 . 1 1 58 58 GLN HB2 H 1 2.0450 0.0600 . 1 . . . . 58 GLN HB# . 17322 1 654 . 1 1 58 58 GLN HB3 H 1 2.0450 0.0600 . 1 . . . . 58 GLN HB# . 17322 1 655 . 1 1 58 58 GLN HG2 H 1 2.3670 0.0600 . 1 . . . . 58 GLN HG# . 17322 1 656 . 1 1 58 58 GLN HG3 H 1 2.3670 0.0600 . 1 . . . . 58 GLN HG# . 17322 1 657 . 1 1 58 58 GLN CA C 13 55.6450 0.2928 . 1 . . . . 58 GLN CA . 17322 1 658 . 1 1 58 58 GLN CB C 13 29.3860 0.2928 . 1 . . . . 58 GLN CB . 17322 1 659 . 1 1 58 58 GLN CG C 13 33.6530 0.2928 . 1 . . . . 58 GLN CG . 17322 1 660 . 1 1 58 58 GLN N N 15 122.4910 0.1167 . 1 . . . . 58 GLN N . 17322 1 661 . 1 1 59 59 ARG H H 1 8.3590 0.0600 . 1 . . . . 59 ARG HN . 17322 1 662 . 1 1 59 59 ARG HA H 1 4.3010 0.0600 . 1 . . . . 59 ARG HA . 17322 1 663 . 1 1 59 59 ARG HB2 H 1 1.7620 0.0600 . 2 . . . . 59 ARG HB1 . 17322 1 664 . 1 1 59 59 ARG HB3 H 1 1.8250 0.0600 . 2 . . . . 59 ARG HB2 . 17322 1 665 . 1 1 59 59 ARG HG2 H 1 1.6440 0.0600 . 1 . . . . 59 ARG HG# . 17322 1 666 . 1 1 59 59 ARG HG3 H 1 1.6440 0.0600 . 1 . . . . 59 ARG HG# . 17322 1 667 . 1 1 59 59 ARG HD2 H 1 3.1940 0.0600 . 1 . . . . 59 ARG HD# . 17322 1 668 . 1 1 59 59 ARG HD3 H 1 3.1940 0.0600 . 1 . . . . 59 ARG HD# . 17322 1 669 . 1 1 59 59 ARG CA C 13 56.0530 0.2928 . 1 . . . . 59 ARG CA . 17322 1 670 . 1 1 59 59 ARG CB C 13 30.7010 0.2928 . 1 . . . . 59 ARG CB . 17322 1 671 . 1 1 59 59 ARG CG C 13 26.7010 0.2928 . 1 . . . . 59 ARG CG . 17322 1 672 . 1 1 59 59 ARG CD C 13 43.1740 0.2928 . 1 . . . . 59 ARG CD . 17322 1 673 . 1 1 59 59 ARG N N 15 122.4910 0.1167 . 1 . . . . 59 ARG N . 17322 1 674 . 1 1 60 60 ARG H H 1 8.4300 0.0600 . 1 . . . . 60 ARG HN . 17322 1 675 . 1 1 60 60 ARG HA H 1 4.3150 0.0600 . 1 . . . . 60 ARG HA . 17322 1 676 . 1 1 60 60 ARG HB2 H 1 1.7820 0.0600 . 2 . . . . 60 ARG HB1 . 17322 1 677 . 1 1 60 60 ARG HB3 H 1 1.8390 0.0600 . 2 . . . . 60 ARG HB2 . 17322 1 678 . 1 1 60 60 ARG HG2 H 1 1.6420 0.0600 . 1 . . . . 60 ARG HG# . 17322 1 679 . 1 1 60 60 ARG HG3 H 1 1.6420 0.0600 . 1 . . . . 60 ARG HG# . 17322 1 680 . 1 1 60 60 ARG HD2 H 1 3.1930 0.0600 . 1 . . . . 60 ARG HD# . 17322 1 681 . 1 1 60 60 ARG HD3 H 1 3.1930 0.0600 . 1 . . . . 60 ARG HD# . 17322 1 682 . 1 1 60 60 ARG CA C 13 56.0600 0.2928 . 1 . . . . 60 ARG CA . 17322 1 683 . 1 1 60 60 ARG CB C 13 30.7160 0.2928 . 1 . . . . 60 ARG CB . 17322 1 684 . 1 1 60 60 ARG CD C 13 43.1610 0.2928 . 1 . . . . 60 ARG CD . 17322 1 685 . 1 1 60 60 ARG N N 15 122.9830 0.1167 . 1 . . . . 60 ARG N . 17322 1 686 . 1 1 61 61 ARG H H 1 8.4820 0.0600 . 1 . . . . 61 ARG HN . 17322 1 687 . 1 1 61 61 ARG HA H 1 4.3460 0.0600 . 1 . . . . 61 ARG HA . 17322 1 688 . 1 1 61 61 ARG HB2 H 1 1.7730 0.0600 . 1 . . . . 61 ARG HB1 . 17322 1 689 . 1 1 61 61 ARG HB3 H 1 1.8770 0.0600 . 1 . . . . 61 ARG HB2 . 17322 1 690 . 1 1 61 61 ARG HG2 H 1 1.6270 0.0600 . 1 . . . . 61 ARG HG# . 17322 1 691 . 1 1 61 61 ARG HG3 H 1 1.6270 0.0600 . 1 . . . . 61 ARG HG# . 17322 1 692 . 1 1 61 61 ARG HD2 H 1 3.1990 0.0600 . 1 . . . . 61 ARG HD# . 17322 1 693 . 1 1 61 61 ARG HD3 H 1 3.1990 0.0600 . 1 . . . . 61 ARG HD# . 17322 1 694 . 1 1 61 61 ARG CA C 13 56.0470 0.2928 . 1 . . . . 61 ARG CA . 17322 1 695 . 1 1 61 61 ARG CB C 13 30.7790 0.2928 . 1 . . . . 61 ARG CB . 17322 1 696 . 1 1 61 61 ARG CD C 13 43.1560 0.2928 . 1 . . . . 61 ARG CD . 17322 1 697 . 1 1 61 61 ARG N N 15 123.2320 0.1167 . 1 . . . . 61 ARG N . 17322 1 698 . 1 1 62 62 GLY H H 1 8.1660 0.0600 . 1 . . . . 62 GLY HN . 17322 1 699 . 1 1 62 62 GLY CA C 13 45.4430 0.2928 . 1 . . . . 62 GLY CA . 17322 1 700 . 1 1 62 62 GLY N N 15 115.1070 0.1167 . 1 . . . . 62 GLY N . 17322 1 stop_ save_