data_19002 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19002 _Entry.Title ; Solution structure of the Core Domain (11-85) of the Murine Norovirus VPg protein. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-05 _Entry.Accession_date 2013-02-05 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'Solution structure of the Core Domain (11-85) of the Murine Norovirus VPg protein.' _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 Eoin Leen . N. . 19002 2 Rex Kwok . . . 19002 3 James Birtley . R. . 19002 4 Sean Prater . N. . 19002 5 Pete Simpson . J. . 19002 6 Steve Matthews . . . 19002 7 Jan Marchant . . . 19002 8 Stephen Curry . . . 19002 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' . 19002 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Murine norovirus' . 19002 NS5 . 19002 'Viral Proteinn genome linked' . 19002 VPg . 19002 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19002 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 330 19002 '15N chemical shifts' 75 19002 '1H chemical shifts' 507 19002 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-04-29 2013-02-05 update BMRB 'update entry citation' 19002 1 . . 2013-03-21 2013-02-05 original author 'original release' 19002 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19003 'Core Domain (10-76) of the Feline Calicivirus VPg protein' 19002 PDB 2M4G 'BMRB Entry Tracking System' 19002 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19002 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23487472 _Citation.Full_citation . _Citation.Title 'Structures of the Compact Helical Core Domains of Feline Calicivirus and Murine Norovirus VPg Proteins.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full 'Journal of virology' _Citation.Journal_volume 87 _Citation.Journal_issue 10 _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 5318 _Citation.Page_last 5330 _Citation.Year 2013 _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 Eoin Leen . N. . 19002 1 2 'K. Y Rex' Kwok . . . 19002 1 3 James Birtley . R. . 19002 1 4 Peter Simpson . J. . 19002 1 5 Chennareddy Subba-Reddy . V. . 19002 1 6 Yasmin Chaudhry . . . 19002 1 7 Stanislav Sosnovtsev . V. . 19002 1 8 Kim Green . Y. . 19002 1 9 Sean Prater . N. . 19002 1 10 Michael Tong . . . 19002 1 11 Joanna Young . C. . 19002 1 12 Liliane Chung . M.W. . 19002 1 13 Jan Marchant . . . 19002 1 14 Lisa Roberts . O. . 19002 1 15 'C. Cheng' Kao . . . 19002 1 16 Stephen Matthews . . . 19002 1 17 Ian Goodfellow . G. . 19002 1 18 Stephen Curry . . . 19002 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19002 _Assembly.ID 1 _Assembly.Name 'Core Domain (11-85) of the Murine Norovirus VPg protein' _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 MNV_VPg 1 $MNV_VPg A . yes native no no . . . 19002 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MNV_VPg _Entity.Sf_category entity _Entity.Sf_framecode MNV_VPg _Entity.Entry_ID 19002 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MNV_VPg _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 ; GRPGVFRTRGLTDEEYDEFK KRRESRGGKYSIDDYLADRE REEELLERDEEEAIFGDGFG LKATRRSRKAERAKL ; _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 75 _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 8876.859 _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 PDB 2M4G . "Solution Structure Of The Core Domain (11-85) Of The Murine Norovirus Vpg Protein" . . . . . 100.00 75 100.00 100.00 3.11e-41 . . . . 19002 1 2 no GB AAO63098 . "polyprotein [Murine norovirus 1]" . . . . . 100.00 1687 100.00 100.00 1.86e-40 . . . . 19002 1 3 no GB ABB90153 . "polyprotein [Murine norovirus 1]" . . . . . 100.00 1687 100.00 100.00 4.52e-39 . . . . 19002 1 4 no GB ABJ98943 . "nonstructural polyprotein [Murine norovirus 1]" . . . . . 100.00 1687 100.00 100.00 1.84e-40 . . . . 19002 1 5 no GB ABS29272 . "polyprotein, partial [Murine norovirus 5]" . . . . . 100.00 1660 97.33 98.67 1.82e-39 . . . . 19002 1 6 no GB ABS29274 . "polyprotein, partial [Murine norovirus 6]" . . . . . 100.00 1665 98.67 98.67 3.51e-40 . . . . 19002 1 7 no REF YP_720001 . "polyprotein [Murine norovirus 1]" . . . . . 100.00 1687 100.00 100.00 4.52e-39 . . . . 19002 1 8 no REF YP_724459 . "NS5 [Murine norovirus 1]" . . . . . 100.00 124 100.00 100.00 4.80e-41 . . . . 19002 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 11 GLY . 19002 1 2 12 ARG . 19002 1 3 13 PRO . 19002 1 4 14 GLY . 19002 1 5 15 VAL . 19002 1 6 16 PHE . 19002 1 7 17 ARG . 19002 1 8 18 THR . 19002 1 9 19 ARG . 19002 1 10 20 GLY . 19002 1 11 21 LEU . 19002 1 12 22 THR . 19002 1 13 23 ASP . 19002 1 14 24 GLU . 19002 1 15 25 GLU . 19002 1 16 26 TYR . 19002 1 17 27 ASP . 19002 1 18 28 GLU . 19002 1 19 29 PHE . 19002 1 20 30 LYS . 19002 1 21 31 LYS . 19002 1 22 32 ARG . 19002 1 23 33 ARG . 19002 1 24 34 GLU . 19002 1 25 35 SER . 19002 1 26 36 ARG . 19002 1 27 37 GLY . 19002 1 28 38 GLY . 19002 1 29 39 LYS . 19002 1 30 40 TYR . 19002 1 31 41 SER . 19002 1 32 42 ILE . 19002 1 33 43 ASP . 19002 1 34 44 ASP . 19002 1 35 45 TYR . 19002 1 36 46 LEU . 19002 1 37 47 ALA . 19002 1 38 48 ASP . 19002 1 39 49 ARG . 19002 1 40 50 GLU . 19002 1 41 51 ARG . 19002 1 42 52 GLU . 19002 1 43 53 GLU . 19002 1 44 54 GLU . 19002 1 45 55 LEU . 19002 1 46 56 LEU . 19002 1 47 57 GLU . 19002 1 48 58 ARG . 19002 1 49 59 ASP . 19002 1 50 60 GLU . 19002 1 51 61 GLU . 19002 1 52 62 GLU . 19002 1 53 63 ALA . 19002 1 54 64 ILE . 19002 1 55 65 PHE . 19002 1 56 66 GLY . 19002 1 57 67 ASP . 19002 1 58 68 GLY . 19002 1 59 69 PHE . 19002 1 60 70 GLY . 19002 1 61 71 LEU . 19002 1 62 72 LYS . 19002 1 63 73 ALA . 19002 1 64 74 THR . 19002 1 65 75 ARG . 19002 1 66 76 ARG . 19002 1 67 77 SER . 19002 1 68 78 ARG . 19002 1 69 79 LYS . 19002 1 70 80 ALA . 19002 1 71 81 GLU . 19002 1 72 82 ARG . 19002 1 73 83 ALA . 19002 1 74 84 LYS . 19002 1 75 85 LEU . 19002 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 . GLY 1 1 19002 1 . ARG 2 2 19002 1 . PRO 3 3 19002 1 . GLY 4 4 19002 1 . VAL 5 5 19002 1 . PHE 6 6 19002 1 . ARG 7 7 19002 1 . THR 8 8 19002 1 . ARG 9 9 19002 1 . GLY 10 10 19002 1 . LEU 11 11 19002 1 . THR 12 12 19002 1 . ASP 13 13 19002 1 . GLU 14 14 19002 1 . GLU 15 15 19002 1 . TYR 16 16 19002 1 . ASP 17 17 19002 1 . GLU 18 18 19002 1 . PHE 19 19 19002 1 . LYS 20 20 19002 1 . LYS 21 21 19002 1 . ARG 22 22 19002 1 . ARG 23 23 19002 1 . GLU 24 24 19002 1 . SER 25 25 19002 1 . ARG 26 26 19002 1 . GLY 27 27 19002 1 . GLY 28 28 19002 1 . LYS 29 29 19002 1 . TYR 30 30 19002 1 . SER 31 31 19002 1 . ILE 32 32 19002 1 . ASP 33 33 19002 1 . ASP 34 34 19002 1 . TYR 35 35 19002 1 . LEU 36 36 19002 1 . ALA 37 37 19002 1 . ASP 38 38 19002 1 . ARG 39 39 19002 1 . GLU 40 40 19002 1 . ARG 41 41 19002 1 . GLU 42 42 19002 1 . GLU 43 43 19002 1 . GLU 44 44 19002 1 . LEU 45 45 19002 1 . LEU 46 46 19002 1 . GLU 47 47 19002 1 . ARG 48 48 19002 1 . ASP 49 49 19002 1 . GLU 50 50 19002 1 . GLU 51 51 19002 1 . GLU 52 52 19002 1 . ALA 53 53 19002 1 . ILE 54 54 19002 1 . PHE 55 55 19002 1 . GLY 56 56 19002 1 . ASP 57 57 19002 1 . GLY 58 58 19002 1 . PHE 59 59 19002 1 . GLY 60 60 19002 1 . LEU 61 61 19002 1 . LYS 62 62 19002 1 . ALA 63 63 19002 1 . THR 64 64 19002 1 . ARG 65 65 19002 1 . ARG 66 66 19002 1 . SER 67 67 19002 1 . ARG 68 68 19002 1 . LYS 69 69 19002 1 . ALA 70 70 19002 1 . GLU 71 71 19002 1 . ARG 72 72 19002 1 . ALA 73 73 19002 1 . LYS 74 74 19002 1 . LEU 75 75 19002 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 19002 _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 $MNV_VPg . 357231 virus . 'Murine Norovirus' 'Murine norovirus' . . Viruses . Murine Norovirus 'MNV1 CW1' . . . . . . . . . . . . . . . VPg . . . . 19002 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 19002 _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 $MNV_VPg . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21(DE3) Rosetta . . . . . . . . . . . . . . pETM11 . . . 'Expressed at 20 degrees celcuis. 6x His tag was removed prior to analysis.' . . 19002 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19002 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '300 mM NaCl, 50 mM NaPO4 pH 6.5, 1 mM DTT.' _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 'MNV VPg 11-85' '[U-98% 13C; U-98% 15N]' . . 1 $MNV_VPg . . 590 . . uM . . . . 19002 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 19002 1 3 'Sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19002 1 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19002 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19002 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19002 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19002 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '36 mM NaCl, 60 mM NaPO4 pH 6.5, 1 mM DTT, 0.1% w/v NaN3, 1x roche PI.' _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 'MNV VPg 11-85' '[U-98% 13C; U-98% 15N]' . . 1 $MNV_VPg . . 710 . . uM . . . . 19002 2 2 'sodium chloride' 'natural abundance' . . . . . . 360 . . mM . . . . 19002 2 3 'sodium azide' 'natural abundance' . . . . . . 0.1 . . w/v . . . . 19002 2 4 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 19002 2 5 'sodium phosphate pH 6.5' 'natural abundance' . . . . . . 60 . . mM . . . . 19002 2 6 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19002 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 19002 _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' 300 . mM 19002 1 pH 6.5 . pH 19002 1 pressure 1 . atm 19002 1 temperature 303 . K 19002 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19002 _Sample_condition_list.ID 2 _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' 360 . mM 19002 2 pH 6.5 . pH 19002 2 pressure 1 . Pa 19002 2 temperature 303 . K 19002 2 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19002 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19002 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19002 1 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19002 _Software.ID 2 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 19002 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19002 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19002 _Software.ID 3 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 19002 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19002 3 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19002 _Software.ID 4 _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' . . 19002 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19002 4 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19002 _Software.ID 5 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19002 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19002 5 'data analysis' 19002 5 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 19002 _Software.ID 6 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zweckstetter et al., 2004' . http://www3.mpibpc.mpg.de/groups/zweckstetter/_links/software_mars.htm 19002 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19002 6 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 19002 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 19002 _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 . 800 . . . 19002 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 19002 _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 . . . . . . . . . . . . . . . . 19002 1 2 '3D H(C)CH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 4 '3D (H)CCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 5 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 7 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 8 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 9 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 10 '3D H(CC)(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 11 '3D (H)C(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 12 '3D (HB)CB(CGCD)HD' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 13 '3D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 14 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 15 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 1 16 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19002 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 19002 _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 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . . . . . 19002 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . . . . . 19002 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . . . . . 19002 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 19002 _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' . . . 19002 1 2 '3D H(C)CH-TOCSY' . . . 19002 1 4 '3D (H)CCH-TOCSY' . . . 19002 1 6 '3D HNCACB' . . . 19002 1 7 '3D CBCA(CO)NH' . . . 19002 1 8 '3D HNCO' . . . 19002 1 9 '3D HN(CA)CO' . . . 19002 1 10 '3D H(CC)(CO)NH' . . . 19002 1 11 '3D (H)C(CCO)NH' . . . 19002 1 12 '3D (HB)CB(CGCD)HD' . . . 19002 1 13 '3D (HB)CB(CGCDCE)HE' . . . 19002 1 14 '3D HBHA(CBCACO)NH' . . . 19002 1 15 '3D 1H-13C NOESY' . . . 19002 1 16 '3D 1H-15N NOESY' . . . 19002 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 GLY HA2 H 1 3.988 0.000 . 2 . . . A 11 GLY HA2 . 19002 1 2 . 1 1 1 1 GLY HA3 H 1 3.942 0.000 . 2 . . . A 11 GLY HA3 . 19002 1 3 . 1 1 1 1 GLY H H 1 8.383 0.000 . 1 . . . A 11 GLY H1 . 19002 1 4 . 1 1 1 1 GLY C C 13 173.672 0.000 . 1 . . . A 11 GLY C . 19002 1 5 . 1 1 1 1 GLY CA C 13 45.664 0.000 . 1 . . . A 11 GLY CA . 19002 1 6 . 1 1 1 1 GLY N N 15 110.122 0.000 . 1 . . . A 11 GLY N . 19002 1 7 . 1 1 2 2 ARG H H 1 8.140 0.000 . 1 . . . A 12 ARG H . 19002 1 8 . 1 1 2 2 ARG HA H 1 4.640 0.000 . 1 . . . A 12 ARG HA . 19002 1 9 . 1 1 2 2 ARG HB2 H 1 1.740 0.000 . 2 . . . A 12 ARG HB2 . 19002 1 10 . 1 1 2 2 ARG HB3 H 1 1.840 0.000 . 2 . . . A 12 ARG HB3 . 19002 1 11 . 1 1 2 2 ARG HG2 H 1 1.660 0.000 . 2 . . . A 12 ARG HG2 . 19002 1 12 . 1 1 2 2 ARG HG3 H 1 1.660 0.000 . 2 . . . A 12 ARG HG3 . 19002 1 13 . 1 1 2 2 ARG HD2 H 1 3.170 0.000 . 2 . . . A 12 ARG HD2 . 19002 1 14 . 1 1 2 2 ARG HD3 H 1 3.170 0.000 . 2 . . . A 12 ARG HD3 . 19002 1 15 . 1 1 2 2 ARG C C 13 174.242 0.000 . 1 . . . A 12 ARG C . 19002 1 16 . 1 1 2 2 ARG CA C 13 53.900 0.000 . 1 . . . A 12 ARG CA . 19002 1 17 . 1 1 2 2 ARG CB C 13 30.400 0.000 . 1 . . . A 12 ARG CB . 19002 1 18 . 1 1 2 2 ARG CG C 13 26.800 0.000 . 1 . . . A 12 ARG CG . 19002 1 19 . 1 1 2 2 ARG CD C 13 43.600 0.000 . 1 . . . A 12 ARG CD . 19002 1 20 . 1 1 2 2 ARG N N 15 121.400 0.000 . 1 . . . A 12 ARG N . 19002 1 21 . 1 1 3 3 PRO HA H 1 4.457 0.000 . 1 . . . A 13 PRO HA . 19002 1 22 . 1 1 3 3 PRO HB2 H 1 1.951 0.000 . 2 . . . A 13 PRO HB2 . 19002 1 23 . 1 1 3 3 PRO HB3 H 1 2.328 0.000 . 2 . . . A 13 PRO HB3 . 19002 1 24 . 1 1 3 3 PRO HG2 H 1 2.041 0.000 . 2 . . . A 13 PRO HG2 . 19002 1 25 . 1 1 3 3 PRO HG3 H 1 2.059 0.000 . 2 . . . A 13 PRO HG3 . 19002 1 26 . 1 1 3 3 PRO HD2 H 1 3.834 0.000 . 2 . . . A 13 PRO HD2 . 19002 1 27 . 1 1 3 3 PRO HD3 H 1 3.647 0.000 . 2 . . . A 13 PRO HD3 . 19002 1 28 . 1 1 3 3 PRO C C 13 177.524 0.000 . 1 . . . A 13 PRO C . 19002 1 29 . 1 1 3 3 PRO CA C 13 63.259 0.000 . 1 . . . A 13 PRO CA . 19002 1 30 . 1 1 3 3 PRO CB C 13 32.067 0.000 . 1 . . . A 13 PRO CB . 19002 1 31 . 1 1 3 3 PRO CG C 13 27.553 0.000 . 1 . . . A 13 PRO CG . 19002 1 32 . 1 1 3 3 PRO CD C 13 50.670 0.000 . 1 . . . A 13 PRO CD . 19002 1 33 . 1 1 4 4 GLY H H 1 8.467 0.000 . 1 . . . A 14 GLY H . 19002 1 34 . 1 1 4 4 GLY HA2 H 1 3.936 0.000 . 2 . . . A 14 GLY HA2 . 19002 1 35 . 1 1 4 4 GLY HA3 H 1 3.943 0.000 . 2 . . . A 14 GLY HA3 . 19002 1 36 . 1 1 4 4 GLY C C 13 174.227 0.000 . 1 . . . A 14 GLY C . 19002 1 37 . 1 1 4 4 GLY CA C 13 45.497 0.000 . 1 . . . A 14 GLY CA . 19002 1 38 . 1 1 4 4 GLY N N 15 109.192 0.000 . 1 . . . A 14 GLY N . 19002 1 39 . 1 1 5 5 VAL H H 1 7.837 0.000 . 1 . . . A 15 VAL H . 19002 1 40 . 1 1 5 5 VAL HA H 1 4.081 0.000 . 1 . . . A 15 VAL HA . 19002 1 41 . 1 1 5 5 VAL HB H 1 2.012 0.000 . 1 . . . A 15 VAL HB . 19002 1 42 . 1 1 5 5 VAL HG11 H 1 0.842 0.000 . 2 . . . A 15 VAL HG11 . 19002 1 43 . 1 1 5 5 VAL HG12 H 1 0.842 0.000 . 2 . . . A 15 VAL HG12 . 19002 1 44 . 1 1 5 5 VAL HG13 H 1 0.842 0.000 . 2 . . . A 15 VAL HG13 . 19002 1 45 . 1 1 5 5 VAL HG21 H 1 0.850 0.000 . 2 . . . A 15 VAL HG21 . 19002 1 46 . 1 1 5 5 VAL HG22 H 1 0.850 0.000 . 2 . . . A 15 VAL HG22 . 19002 1 47 . 1 1 5 5 VAL HG23 H 1 0.850 0.000 . 2 . . . A 15 VAL HG23 . 19002 1 48 . 1 1 5 5 VAL C C 13 175.986 0.000 . 1 . . . A 15 VAL C . 19002 1 49 . 1 1 5 5 VAL CA C 13 62.529 0.000 . 1 . . . A 15 VAL CA . 19002 1 50 . 1 1 5 5 VAL CB C 13 32.491 0.000 . 1 . . . A 15 VAL CB . 19002 1 51 . 1 1 5 5 VAL CG1 C 13 21.064 0.000 . 1 . . . A 15 VAL CG1 . 19002 1 52 . 1 1 5 5 VAL CG2 C 13 20.668 0.000 . 1 . . . A 15 VAL CG2 . 19002 1 53 . 1 1 5 5 VAL N N 15 119.157 0.000 . 1 . . . A 15 VAL N . 19002 1 54 . 1 1 6 6 PHE H H 1 8.265 0.000 . 1 . . . A 16 PHE H . 19002 1 55 . 1 1 6 6 PHE HA H 1 4.614 0.000 . 1 . . . A 16 PHE HA . 19002 1 56 . 1 1 6 6 PHE HB2 H 1 3.010 0.000 . 2 . . . A 16 PHE HB2 . 19002 1 57 . 1 1 6 6 PHE HB3 H 1 3.139 0.000 . 2 . . . A 16 PHE HB3 . 19002 1 58 . 1 1 6 6 PHE HD1 H 1 7.240 0.000 . 3 . . . A 16 PHE HD1 . 19002 1 59 . 1 1 6 6 PHE HD2 H 1 7.240 0.000 . 3 . . . A 16 PHE HD2 . 19002 1 60 . 1 1 6 6 PHE C C 13 175.804 0.000 . 1 . . . A 16 PHE C . 19002 1 61 . 1 1 6 6 PHE CA C 13 58.398 0.000 . 1 . . . A 16 PHE CA . 19002 1 62 . 1 1 6 6 PHE CB C 13 39.475 0.000 . 1 . . . A 16 PHE CB . 19002 1 63 . 1 1 6 6 PHE CD1 C 13 131.883 0.000 . 3 . . . A 16 PHE CD1 . 19002 1 64 . 1 1 6 6 PHE CD2 C 13 131.883 0.000 . 3 . . . A 16 PHE CD2 . 19002 1 65 . 1 1 6 6 PHE N N 15 123.110 0.000 . 1 . . . A 16 PHE N . 19002 1 66 . 1 1 7 7 ARG H H 1 8.155 0.000 . 1 . . . A 17 ARG H . 19002 1 67 . 1 1 7 7 ARG HA H 1 4.323 0.000 . 1 . . . A 17 ARG HA . 19002 1 68 . 1 1 7 7 ARG HB2 H 1 1.756 0.000 . 2 . . . A 17 ARG HB2 . 19002 1 69 . 1 1 7 7 ARG HB3 H 1 1.813 0.000 . 2 . . . A 17 ARG HB3 . 19002 1 70 . 1 1 7 7 ARG HG2 H 1 1.548 0.000 . 2 . . . A 17 ARG HG2 . 19002 1 71 . 1 1 7 7 ARG HG3 H 1 1.554 0.000 . 2 . . . A 17 ARG HG3 . 19002 1 72 . 1 1 7 7 ARG HD2 H 1 3.144 0.000 . 2 . . . A 17 ARG HD2 . 19002 1 73 . 1 1 7 7 ARG HD3 H 1 3.144 0.000 . 2 . . . A 17 ARG HD3 . 19002 1 74 . 1 1 7 7 ARG C C 13 176.452 0.000 . 1 . . . A 17 ARG C . 19002 1 75 . 1 1 7 7 ARG CA C 13 56.710 0.000 . 1 . . . A 17 ARG CA . 19002 1 76 . 1 1 7 7 ARG CB C 13 30.937 0.000 . 1 . . . A 17 ARG CB . 19002 1 77 . 1 1 7 7 ARG CG C 13 27.047 0.000 . 1 . . . A 17 ARG CG . 19002 1 78 . 1 1 7 7 ARG CD C 13 43.367 0.000 . 1 . . . A 17 ARG CD . 19002 1 79 . 1 1 7 7 ARG N N 15 122.074 0.000 . 1 . . . A 17 ARG N . 19002 1 80 . 1 1 8 8 THR H H 1 8.015 0.000 . 1 . . . A 18 THR H . 19002 1 81 . 1 1 8 8 THR HA H 1 4.231 0.000 . 1 . . . A 18 THR HA . 19002 1 82 . 1 1 8 8 THR HB H 1 4.194 0.000 . 1 . . . A 18 THR HB . 19002 1 83 . 1 1 8 8 THR HG21 H 1 1.173 0.000 . 1 . . . A 18 THR HG21 . 19002 1 84 . 1 1 8 8 THR HG22 H 1 1.173 0.000 . 1 . . . A 18 THR HG22 . 19002 1 85 . 1 1 8 8 THR HG23 H 1 1.173 0.000 . 1 . . . A 18 THR HG23 . 19002 1 86 . 1 1 8 8 THR C C 13 174.348 0.000 . 1 . . . A 18 THR C . 19002 1 87 . 1 1 8 8 THR CA C 13 62.410 0.000 . 1 . . . A 18 THR CA . 19002 1 88 . 1 1 8 8 THR CB C 13 69.509 0.000 . 1 . . . A 18 THR CB . 19002 1 89 . 1 1 8 8 THR CG2 C 13 21.728 0.000 . 1 . . . A 18 THR CG2 . 19002 1 90 . 1 1 8 8 THR N N 15 114.223 0.000 . 1 . . . A 18 THR N . 19002 1 91 . 1 1 9 9 ARG H H 1 8.080 0.000 . 1 . . . A 19 ARG H . 19002 1 92 . 1 1 9 9 ARG HA H 1 4.323 0.000 . 1 . . . A 19 ARG HA . 19002 1 93 . 1 1 9 9 ARG HB2 H 1 1.824 0.000 . 2 . . . A 19 ARG HB2 . 19002 1 94 . 1 1 9 9 ARG HB3 H 1 1.972 0.000 . 2 . . . A 19 ARG HB3 . 19002 1 95 . 1 1 9 9 ARG HG2 H 1 1.650 0.000 . 2 . . . A 19 ARG HG2 . 19002 1 96 . 1 1 9 9 ARG HG3 H 1 1.630 0.000 . 2 . . . A 19 ARG HG3 . 19002 1 97 . 1 1 9 9 ARG HD2 H 1 3.150 0.000 . 2 . . . A 19 ARG HD2 . 19002 1 98 . 1 1 9 9 ARG HD3 H 1 3.150 0.000 . 2 . . . A 19 ARG HD3 . 19002 1 99 . 1 1 9 9 ARG C C 13 175.986 0.000 . 1 . . . A 19 ARG C . 19002 1 100 . 1 1 9 9 ARG CA C 13 56.093 0.000 . 1 . . . A 19 ARG CA . 19002 1 101 . 1 1 9 9 ARG CB C 13 30.480 0.000 . 1 . . . A 19 ARG CB . 19002 1 102 . 1 1 9 9 ARG CG C 13 26.773 0.000 . 1 . . . A 19 ARG CG . 19002 1 103 . 1 1 9 9 ARG CD C 13 43.453 0.000 . 1 . . . A 19 ARG CD . 19002 1 104 . 1 1 9 9 ARG N N 15 120.957 0.000 . 1 . . . A 19 ARG N . 19002 1 105 . 1 1 10 10 GLY H H 1 8.241 0.000 . 1 . . . A 20 GLY H . 19002 1 106 . 1 1 10 10 GLY HA2 H 1 3.965 0.000 . 2 . . . A 20 GLY HA2 . 19002 1 107 . 1 1 10 10 GLY HA3 H 1 3.942 0.000 . 2 . . . A 20 GLY HA3 . 19002 1 108 . 1 1 10 10 GLY C C 13 173.802 0.000 . 1 . . . A 20 GLY C . 19002 1 109 . 1 1 10 10 GLY CA C 13 45.273 0.000 . 1 . . . A 20 GLY CA . 19002 1 110 . 1 1 10 10 GLY N N 15 107.963 0.000 . 1 . . . A 20 GLY N . 19002 1 111 . 1 1 11 11 LEU H H 1 7.967 0.000 . 1 . . . A 21 LEU H . 19002 1 112 . 1 1 11 11 LEU HA H 1 4.770 0.000 . 1 . . . A 21 LEU HA . 19002 1 113 . 1 1 11 11 LEU HB2 H 1 1.639 0.000 . 2 . . . A 21 LEU HB2 . 19002 1 114 . 1 1 11 11 LEU HB3 H 1 1.740 0.000 . 2 . . . A 21 LEU HB3 . 19002 1 115 . 1 1 11 11 LEU HG H 1 1.764 0.000 . 1 . . . A 21 LEU HG . 19002 1 116 . 1 1 11 11 LEU HD11 H 1 0.833 0.000 . 2 . . . A 21 LEU HD11 . 19002 1 117 . 1 1 11 11 LEU HD12 H 1 0.833 0.000 . 2 . . . A 21 LEU HD12 . 19002 1 118 . 1 1 11 11 LEU HD13 H 1 0.833 0.000 . 2 . . . A 21 LEU HD13 . 19002 1 119 . 1 1 11 11 LEU HD21 H 1 0.781 0.000 . 2 . . . A 21 LEU HD21 . 19002 1 120 . 1 1 11 11 LEU HD22 H 1 0.781 0.000 . 2 . . . A 21 LEU HD22 . 19002 1 121 . 1 1 11 11 LEU HD23 H 1 0.781 0.000 . 2 . . . A 21 LEU HD23 . 19002 1 122 . 1 1 11 11 LEU C C 13 178.414 0.000 . 1 . . . A 21 LEU C . 19002 1 123 . 1 1 11 11 LEU CA C 13 54.677 0.000 . 1 . . . A 21 LEU CA . 19002 1 124 . 1 1 11 11 LEU CB C 13 43.142 0.000 . 1 . . . A 21 LEU CB . 19002 1 125 . 1 1 11 11 LEU CG C 13 27.556 0.000 . 1 . . . A 21 LEU CG . 19002 1 126 . 1 1 11 11 LEU CD1 C 13 23.717 0.000 . 1 . . . A 21 LEU CD1 . 19002 1 127 . 1 1 11 11 LEU CD2 C 13 25.545 0.000 . 1 . . . A 21 LEU CD2 . 19002 1 128 . 1 1 11 11 LEU N N 15 121.181 0.000 . 1 . . . A 21 LEU N . 19002 1 129 . 1 1 12 12 THR H H 1 9.075 0.000 . 1 . . . A 22 THR H . 19002 1 130 . 1 1 12 12 THR HA H 1 4.558 0.000 . 1 . . . A 22 THR HA . 19002 1 131 . 1 1 12 12 THR HB H 1 4.831 0.000 . 1 . . . A 22 THR HB . 19002 1 132 . 1 1 12 12 THR HG21 H 1 1.414 0.000 . 1 . . . A 22 THR HG21 . 19002 1 133 . 1 1 12 12 THR HG22 H 1 1.414 0.000 . 1 . . . A 22 THR HG22 . 19002 1 134 . 1 1 12 12 THR HG23 H 1 1.414 0.000 . 1 . . . A 22 THR HG23 . 19002 1 135 . 1 1 12 12 THR C C 13 175.359 0.000 . 1 . . . A 22 THR C . 19002 1 136 . 1 1 12 12 THR CA C 13 61.316 0.000 . 1 . . . A 22 THR CA . 19002 1 137 . 1 1 12 12 THR CB C 13 71.015 0.000 . 1 . . . A 22 THR CB . 19002 1 138 . 1 1 12 12 THR CG2 C 13 21.942 0.000 . 1 . . . A 22 THR CG2 . 19002 1 139 . 1 1 12 12 THR N N 15 114.494 0.000 . 1 . . . A 22 THR N . 19002 1 140 . 1 1 13 13 ASP H H 1 8.943 0.000 . 1 . . . A 23 ASP H . 19002 1 141 . 1 1 13 13 ASP HA H 1 4.485 0.000 . 1 . . . A 23 ASP HA . 19002 1 142 . 1 1 13 13 ASP HB2 H 1 2.702 0.000 . 2 . . . A 23 ASP HB2 . 19002 1 143 . 1 1 13 13 ASP HB3 H 1 2.849 0.000 . 2 . . . A 23 ASP HB3 . 19002 1 144 . 1 1 13 13 ASP C C 13 178.697 0.000 . 1 . . . A 23 ASP C . 19002 1 145 . 1 1 13 13 ASP CA C 13 58.315 0.000 . 1 . . . A 23 ASP CA . 19002 1 146 . 1 1 13 13 ASP CB C 13 39.931 0.000 . 1 . . . A 23 ASP CB . 19002 1 147 . 1 1 13 13 ASP N N 15 121.204 0.000 . 1 . . . A 23 ASP N . 19002 1 148 . 1 1 14 14 GLU H H 1 8.741 0.000 . 1 . . . A 24 GLU H . 19002 1 149 . 1 1 14 14 GLU HA H 1 4.199 0.000 . 1 . . . A 24 GLU HA . 19002 1 150 . 1 1 14 14 GLU HB2 H 1 2.046 0.000 . 2 . . . A 24 GLU HB2 . 19002 1 151 . 1 1 14 14 GLU HB3 H 1 2.129 0.000 . 2 . . . A 24 GLU HB3 . 19002 1 152 . 1 1 14 14 GLU HG2 H 1 2.430 0.000 . 2 . . . A 24 GLU HG2 . 19002 1 153 . 1 1 14 14 GLU HG3 H 1 2.450 0.000 . 2 . . . A 24 GLU HG3 . 19002 1 154 . 1 1 14 14 GLU C C 13 179.911 0.000 . 1 . . . A 24 GLU C . 19002 1 155 . 1 1 14 14 GLU CA C 13 59.973 0.000 . 1 . . . A 24 GLU CA . 19002 1 156 . 1 1 14 14 GLU CB C 13 29.306 0.000 . 1 . . . A 24 GLU CB . 19002 1 157 . 1 1 14 14 GLU CG C 13 37.039 0.000 . 1 . . . A 24 GLU CG . 19002 1 158 . 1 1 14 14 GLU N N 15 119.241 0.000 . 1 . . . A 24 GLU N . 19002 1 159 . 1 1 15 15 GLU H H 1 7.801 0.000 . 1 . . . A 25 GLU H . 19002 1 160 . 1 1 15 15 GLU HA H 1 4.200 0.000 . 1 . . . A 25 GLU HA . 19002 1 161 . 1 1 15 15 GLU HB2 H 1 2.230 0.000 . 2 . . . A 25 GLU HB2 . 19002 1 162 . 1 1 15 15 GLU HB3 H 1 2.465 0.000 . 2 . . . A 25 GLU HB3 . 19002 1 163 . 1 1 15 15 GLU HG2 H 1 2.466 0.000 . 2 . . . A 25 GLU HG2 . 19002 1 164 . 1 1 15 15 GLU HG3 H 1 2.540 0.000 . 2 . . . A 25 GLU HG3 . 19002 1 165 . 1 1 15 15 GLU C C 13 178.394 0.000 . 1 . . . A 25 GLU C . 19002 1 166 . 1 1 15 15 GLU CA C 13 59.178 0.000 . 1 . . . A 25 GLU CA . 19002 1 167 . 1 1 15 15 GLU CB C 13 30.873 0.000 . 1 . . . A 25 GLU CB . 19002 1 168 . 1 1 15 15 GLU CG C 13 37.564 0.000 . 1 . . . A 25 GLU CG . 19002 1 169 . 1 1 15 15 GLU N N 15 121.151 0.000 . 1 . . . A 25 GLU N . 19002 1 170 . 1 1 16 16 TYR H H 1 8.897 0.000 . 1 . . . A 26 TYR H . 19002 1 171 . 1 1 16 16 TYR HA H 1 4.184 0.000 . 1 . . . A 26 TYR HA . 19002 1 172 . 1 1 16 16 TYR HB2 H 1 3.011 0.000 . 2 . . . A 26 TYR HB2 . 19002 1 173 . 1 1 16 16 TYR HB3 H 1 3.175 0.000 . 2 . . . A 26 TYR HB3 . 19002 1 174 . 1 1 16 16 TYR HD1 H 1 7.122 0.000 . 3 . . . A 26 TYR HD1 . 19002 1 175 . 1 1 16 16 TYR HD2 H 1 7.122 0.000 . 3 . . . A 26 TYR HD2 . 19002 1 176 . 1 1 16 16 TYR HE1 H 1 6.862 0.000 . 3 . . . A 26 TYR HE1 . 19002 1 177 . 1 1 16 16 TYR HE2 H 1 6.862 0.000 . 3 . . . A 26 TYR HE2 . 19002 1 178 . 1 1 16 16 TYR C C 13 177.483 0.000 . 1 . . . A 26 TYR C . 19002 1 179 . 1 1 16 16 TYR CA C 13 61.924 0.000 . 1 . . . A 26 TYR CA . 19002 1 180 . 1 1 16 16 TYR CB C 13 37.837 0.000 . 1 . . . A 26 TYR CB . 19002 1 181 . 1 1 16 16 TYR CD1 C 13 132.856 0.000 . 3 . . . A 26 TYR CD1 . 19002 1 182 . 1 1 16 16 TYR CD2 C 13 132.856 0.000 . 3 . . . A 26 TYR CD2 . 19002 1 183 . 1 1 16 16 TYR CE1 C 13 118.073 0.000 . 3 . . . A 26 TYR CE1 . 19002 1 184 . 1 1 16 16 TYR CE2 C 13 118.073 0.000 . 3 . . . A 26 TYR CE2 . 19002 1 185 . 1 1 16 16 TYR N N 15 120.692 0.000 . 1 . . . A 26 TYR N . 19002 1 186 . 1 1 17 17 ASP H H 1 8.135 0.000 . 1 . . . A 27 ASP H . 19002 1 187 . 1 1 17 17 ASP HA H 1 4.338 0.000 . 1 . . . A 27 ASP HA . 19002 1 188 . 1 1 17 17 ASP HB2 H 1 2.686 0.000 . 2 . . . A 27 ASP HB2 . 19002 1 189 . 1 1 17 17 ASP HB3 H 1 2.859 0.000 . 2 . . . A 27 ASP HB3 . 19002 1 190 . 1 1 17 17 ASP C C 13 178.535 0.000 . 1 . . . A 27 ASP C . 19002 1 191 . 1 1 17 17 ASP CA C 13 57.864 0.000 . 1 . . . A 27 ASP CA . 19002 1 192 . 1 1 17 17 ASP CB C 13 40.797 0.000 . 1 . . . A 27 ASP CB . 19002 1 193 . 1 1 17 17 ASP N N 15 118.898 0.000 . 1 . . . A 27 ASP N . 19002 1 194 . 1 1 18 18 GLU H H 1 7.655 0.000 . 1 . . . A 28 GLU H . 19002 1 195 . 1 1 18 18 GLU HA H 1 4.101 0.000 . 1 . . . A 28 GLU HA . 19002 1 196 . 1 1 18 18 GLU HB2 H 1 2.252 0.000 . 2 . . . A 28 GLU HB2 . 19002 1 197 . 1 1 18 18 GLU HB3 H 1 2.391 0.000 . 2 . . . A 28 GLU HB3 . 19002 1 198 . 1 1 18 18 GLU HG2 H 1 2.377 0.000 . 2 . . . A 28 GLU HG2 . 19002 1 199 . 1 1 18 18 GLU HG3 H 1 2.548 0.000 . 2 . . . A 28 GLU HG3 . 19002 1 200 . 1 1 18 18 GLU C C 13 178.394 0.000 . 1 . . . A 28 GLU C . 19002 1 201 . 1 1 18 18 GLU CA C 13 59.450 0.000 . 1 . . . A 28 GLU CA . 19002 1 202 . 1 1 18 18 GLU CB C 13 29.231 0.000 . 1 . . . A 28 GLU CB . 19002 1 203 . 1 1 18 18 GLU CG C 13 36.329 0.000 . 1 . . . A 28 GLU CG . 19002 1 204 . 1 1 18 18 GLU N N 15 121.020 0.000 . 1 . . . A 28 GLU N . 19002 1 205 . 1 1 19 19 PHE H H 1 8.471 0.000 . 1 . . . A 29 PHE H . 19002 1 206 . 1 1 19 19 PHE HA H 1 3.765 0.000 . 1 . . . A 29 PHE HA . 19002 1 207 . 1 1 19 19 PHE HB2 H 1 2.207 0.000 . 2 . . . A 29 PHE HB2 . 19002 1 208 . 1 1 19 19 PHE HB3 H 1 2.883 0.000 . 2 . . . A 29 PHE HB3 . 19002 1 209 . 1 1 19 19 PHE HD1 H 1 6.855 0.000 . 3 . . . A 29 PHE HD1 . 19002 1 210 . 1 1 19 19 PHE HD2 H 1 6.855 0.000 . 3 . . . A 29 PHE HD2 . 19002 1 211 . 1 1 19 19 PHE HE1 H 1 7.100 0.000 . 3 . . . A 29 PHE HE1 . 19002 1 212 . 1 1 19 19 PHE HE2 H 1 7.101 0.000 . 3 . . . A 29 PHE HE2 . 19002 1 213 . 1 1 19 19 PHE HZ H 1 7.330 0.000 . 1 . . . A 29 PHE HZ . 19002 1 214 . 1 1 19 19 PHE C C 13 176.169 0.000 . 1 . . . A 29 PHE C . 19002 1 215 . 1 1 19 19 PHE CA C 13 61.371 0.000 . 1 . . . A 29 PHE CA . 19002 1 216 . 1 1 19 19 PHE CB C 13 37.588 0.000 . 1 . . . A 29 PHE CB . 19002 1 217 . 1 1 19 19 PHE CD1 C 13 131.976 0.000 . 3 . . . A 29 PHE CD1 . 19002 1 218 . 1 1 19 19 PHE CD2 C 13 131.976 0.000 . 3 . . . A 29 PHE CD2 . 19002 1 219 . 1 1 19 19 PHE CE1 C 13 130.783 0.000 . 3 . . . A 29 PHE CE1 . 19002 1 220 . 1 1 19 19 PHE CE2 C 13 130.783 0.000 . 3 . . . A 29 PHE CE2 . 19002 1 221 . 1 1 19 19 PHE CZ C 13 129.383 0.000 . 1 . . . A 29 PHE CZ . 19002 1 222 . 1 1 19 19 PHE N N 15 121.567 0.000 . 1 . . . A 29 PHE N . 19002 1 223 . 1 1 20 20 LYS H H 1 8.287 0.000 . 1 . . . A 30 LYS H . 19002 1 224 . 1 1 20 20 LYS HA H 1 3.137 0.000 . 1 . . . A 30 LYS HA . 19002 1 225 . 1 1 20 20 LYS HB2 H 1 1.657 0.000 . 2 . . . A 30 LYS HB2 . 19002 1 226 . 1 1 20 20 LYS HB3 H 1 1.732 0.000 . 2 . . . A 30 LYS HB3 . 19002 1 227 . 1 1 20 20 LYS HG2 H 1 1.165 0.000 . 2 . . . A 30 LYS HG2 . 19002 1 228 . 1 1 20 20 LYS HG3 H 1 1.349 0.000 . 2 . . . A 30 LYS HG3 . 19002 1 229 . 1 1 20 20 LYS HD2 H 1 1.640 0.000 . 2 . . . A 30 LYS HD2 . 19002 1 230 . 1 1 20 20 LYS HD3 H 1 1.600 0.000 . 2 . . . A 30 LYS HD3 . 19002 1 231 . 1 1 20 20 LYS HE2 H 1 2.890 0.000 . 2 . . . A 30 LYS HE2 . 19002 1 232 . 1 1 20 20 LYS HE3 H 1 2.790 0.000 . 2 . . . A 30 LYS HE3 . 19002 1 233 . 1 1 20 20 LYS C C 13 179.445 0.000 . 1 . . . A 30 LYS C . 19002 1 234 . 1 1 20 20 LYS CA C 13 60.346 0.000 . 1 . . . A 30 LYS CA . 19002 1 235 . 1 1 20 20 LYS CB C 13 31.992 0.000 . 1 . . . A 30 LYS CB . 19002 1 236 . 1 1 20 20 LYS CG C 13 25.271 0.000 . 1 . . . A 30 LYS CG . 19002 1 237 . 1 1 20 20 LYS CD C 13 29.475 0.000 . 1 . . . A 30 LYS CD . 19002 1 238 . 1 1 20 20 LYS CE C 13 41.539 0.000 . 1 . . . A 30 LYS CE . 19002 1 239 . 1 1 20 20 LYS N N 15 118.916 0.000 . 1 . . . A 30 LYS N . 19002 1 240 . 1 1 21 21 LYS H H 1 7.690 0.000 . 1 . . . A 31 LYS H . 19002 1 241 . 1 1 21 21 LYS HA H 1 4.018 0.000 . 1 . . . A 31 LYS HA . 19002 1 242 . 1 1 21 21 LYS HB2 H 1 1.934 0.000 . 2 . . . A 31 LYS HB2 . 19002 1 243 . 1 1 21 21 LYS HB3 H 1 1.915 0.000 . 2 . . . A 31 LYS HB3 . 19002 1 244 . 1 1 21 21 LYS HG2 H 1 1.579 0.000 . 2 . . . A 31 LYS HG2 . 19002 1 245 . 1 1 21 21 LYS HG3 H 1 1.405 0.000 . 2 . . . A 31 LYS HG3 . 19002 1 246 . 1 1 21 21 LYS HD2 H 1 1.696 0.000 . 2 . . . A 31 LYS HD2 . 19002 1 247 . 1 1 21 21 LYS HD3 H 1 1.688 0.000 . 2 . . . A 31 LYS HD3 . 19002 1 248 . 1 1 21 21 LYS HE2 H 1 2.959 0.000 . 2 . . . A 31 LYS HE2 . 19002 1 249 . 1 1 21 21 LYS HE3 H 1 2.595 0.000 . 2 . . . A 31 LYS HE3 . 19002 1 250 . 1 1 21 21 LYS C C 13 179.918 0.000 . 1 . . . A 31 LYS C . 19002 1 251 . 1 1 21 21 LYS CA C 13 59.700 0.000 . 1 . . . A 31 LYS CA . 19002 1 252 . 1 1 21 21 LYS CB C 13 32.300 0.000 . 1 . . . A 31 LYS CB . 19002 1 253 . 1 1 21 21 LYS CG C 13 25.187 0.000 . 1 . . . A 31 LYS CG . 19002 1 254 . 1 1 21 21 LYS CD C 13 29.100 0.000 . 1 . . . A 31 LYS CD . 19002 1 255 . 1 1 21 21 LYS CE C 13 41.933 0.000 . 1 . . . A 31 LYS CE . 19002 1 256 . 1 1 21 21 LYS N N 15 120.113 0.000 . 1 . . . A 31 LYS N . 19002 1 257 . 1 1 22 22 ARG H H 1 8.299 0.000 . 1 . . . A 32 ARG H . 19002 1 258 . 1 1 22 22 ARG HA H 1 3.893 0.000 . 1 . . . A 32 ARG HA . 19002 1 259 . 1 1 22 22 ARG HB2 H 1 1.308 0.000 . 2 . . . A 32 ARG HB2 . 19002 1 260 . 1 1 22 22 ARG HB3 H 1 1.929 0.000 . 2 . . . A 32 ARG HB3 . 19002 1 261 . 1 1 22 22 ARG HG2 H 1 1.523 0.000 . 2 . . . A 32 ARG HG2 . 19002 1 262 . 1 1 22 22 ARG HG3 H 1 2.003 0.000 . 2 . . . A 32 ARG HG3 . 19002 1 263 . 1 1 22 22 ARG HD2 H 1 3.238 0.000 . 2 . . . A 32 ARG HD2 . 19002 1 264 . 1 1 22 22 ARG HD3 H 1 3.272 0.000 . 2 . . . A 32 ARG HD3 . 19002 1 265 . 1 1 22 22 ARG C C 13 178.990 0.000 . 1 . . . A 32 ARG C . 19002 1 266 . 1 1 22 22 ARG CA C 13 59.452 0.000 . 1 . . . A 32 ARG CA . 19002 1 267 . 1 1 22 22 ARG CB C 13 31.284 0.000 . 1 . . . A 32 ARG CB . 19002 1 268 . 1 1 22 22 ARG CG C 13 27.830 0.000 . 1 . . . A 32 ARG CG . 19002 1 269 . 1 1 22 22 ARG CD C 13 44.555 0.000 . 1 . . . A 32 ARG CD . 19002 1 270 . 1 1 22 22 ARG N N 15 121.200 0.000 . 1 . . . A 32 ARG N . 19002 1 271 . 1 1 23 23 ARG H H 1 8.704 0.000 . 1 . . . A 33 ARG H . 19002 1 272 . 1 1 23 23 ARG HA H 1 3.698 0.000 . 1 . . . A 33 ARG HA . 19002 1 273 . 1 1 23 23 ARG HB2 H 1 1.279 0.000 . 2 . . . A 33 ARG HB2 . 19002 1 274 . 1 1 23 23 ARG HB3 H 1 1.694 0.000 . 2 . . . A 33 ARG HB3 . 19002 1 275 . 1 1 23 23 ARG HG2 H 1 1.518 0.000 . 2 . . . A 33 ARG HG2 . 19002 1 276 . 1 1 23 23 ARG HG3 H 1 1.618 0.000 . 2 . . . A 33 ARG HG3 . 19002 1 277 . 1 1 23 23 ARG HD2 H 1 3.287 0.000 . 2 . . . A 33 ARG HD2 . 19002 1 278 . 1 1 23 23 ARG HD3 H 1 2.994 0.000 . 2 . . . A 33 ARG HD3 . 19002 1 279 . 1 1 23 23 ARG C C 13 178.697 0.000 . 1 . . . A 33 ARG C . 19002 1 280 . 1 1 23 23 ARG CA C 13 59.607 0.000 . 1 . . . A 33 ARG CA . 19002 1 281 . 1 1 23 23 ARG CB C 13 29.570 0.000 . 1 . . . A 33 ARG CB . 19002 1 282 . 1 1 23 23 ARG CG C 13 27.099 0.000 . 1 . . . A 33 ARG CG . 19002 1 283 . 1 1 23 23 ARG CD C 13 44.189 0.000 . 1 . . . A 33 ARG CD . 19002 1 284 . 1 1 23 23 ARG N N 15 120.223 0.000 . 1 . . . A 33 ARG N . 19002 1 285 . 1 1 24 24 GLU H H 1 7.941 0.000 . 1 . . . A 34 GLU H . 19002 1 286 . 1 1 24 24 GLU HA H 1 4.046 0.000 . 1 . . . A 34 GLU HA . 19002 1 287 . 1 1 24 24 GLU HB2 H 1 2.094 0.000 . 2 . . . A 34 GLU HB2 . 19002 1 288 . 1 1 24 24 GLU HB3 H 1 2.127 0.000 . 2 . . . A 34 GLU HB3 . 19002 1 289 . 1 1 24 24 GLU HG2 H 1 2.278 0.000 . 2 . . . A 34 GLU HG2 . 19002 1 290 . 1 1 24 24 GLU HG3 H 1 2.332 0.000 . 2 . . . A 34 GLU HG3 . 19002 1 291 . 1 1 24 24 GLU C C 13 179.850 0.000 . 1 . . . A 34 GLU C . 19002 1 292 . 1 1 24 24 GLU CA C 13 59.210 0.000 . 1 . . . A 34 GLU CA . 19002 1 293 . 1 1 24 24 GLU CB C 13 29.380 0.000 . 1 . . . A 34 GLU CB . 19002 1 294 . 1 1 24 24 GLU CG C 13 36.329 0.000 . 1 . . . A 34 GLU CG . 19002 1 295 . 1 1 24 24 GLU N N 15 119.860 0.000 . 1 . . . A 34 GLU N . 19002 1 296 . 1 1 25 25 SER H H 1 7.813 0.000 . 1 . . . A 35 SER H . 19002 1 297 . 1 1 25 25 SER HA H 1 4.378 0.000 . 1 . . . A 35 SER HA . 19002 1 298 . 1 1 25 25 SER HB2 H 1 3.958 0.000 . 2 . . . A 35 SER HB2 . 19002 1 299 . 1 1 25 25 SER HB3 H 1 4.005 0.000 . 2 . . . A 35 SER HB3 . 19002 1 300 . 1 1 25 25 SER C C 13 175.339 0.000 . 1 . . . A 35 SER C . 19002 1 301 . 1 1 25 25 SER CA C 13 60.068 0.000 . 1 . . . A 35 SER CA . 19002 1 302 . 1 1 25 25 SER CB C 13 63.321 0.000 . 1 . . . A 35 SER CB . 19002 1 303 . 1 1 25 25 SER N N 15 115.261 0.000 . 1 . . . A 35 SER N . 19002 1 304 . 1 1 26 26 ARG H H 1 7.459 0.000 . 1 . . . A 36 ARG H . 19002 1 305 . 1 1 26 26 ARG HA H 1 4.439 0.000 . 1 . . . A 36 ARG HA . 19002 1 306 . 1 1 26 26 ARG HB2 H 1 1.359 0.000 . 2 . . . A 36 ARG HB2 . 19002 1 307 . 1 1 26 26 ARG HB3 H 1 2.157 0.000 . 2 . . . A 36 ARG HB3 . 19002 1 308 . 1 1 26 26 ARG HG2 H 1 1.513 0.000 . 2 . . . A 36 ARG HG2 . 19002 1 309 . 1 1 26 26 ARG HG3 H 1 1.460 0.000 . 2 . . . A 36 ARG HG3 . 19002 1 310 . 1 1 26 26 ARG HD2 H 1 2.880 0.000 . 2 . . . A 36 ARG HD2 . 19002 1 311 . 1 1 26 26 ARG HD3 H 1 2.549 0.000 . 2 . . . A 36 ARG HD3 . 19002 1 312 . 1 1 26 26 ARG C C 13 177.524 0.000 . 1 . . . A 36 ARG C . 19002 1 313 . 1 1 26 26 ARG CA C 13 55.794 0.000 . 1 . . . A 36 ARG CA . 19002 1 314 . 1 1 26 26 ARG CB C 13 30.276 0.000 . 1 . . . A 36 ARG CB . 19002 1 315 . 1 1 26 26 ARG CG C 13 27.046 0.000 . 1 . . . A 36 ARG CG . 19002 1 316 . 1 1 26 26 ARG CD C 13 43.271 0.000 . 1 . . . A 36 ARG CD . 19002 1 317 . 1 1 26 26 ARG N N 15 119.557 0.000 . 1 . . . A 36 ARG N . 19002 1 318 . 1 1 27 27 GLY H H 1 7.981 0.000 . 1 . . . A 37 GLY H . 19002 1 319 . 1 1 27 27 GLY HA2 H 1 3.999 0.000 . 2 . . . A 37 GLY HA2 . 19002 1 320 . 1 1 27 27 GLY HA3 H 1 4.034 0.000 . 2 . . . A 37 GLY HA3 . 19002 1 321 . 1 1 27 27 GLY C C 13 175.117 0.000 . 1 . . . A 37 GLY C . 19002 1 322 . 1 1 27 27 GLY CA C 13 46.691 0.000 . 1 . . . A 37 GLY CA . 19002 1 323 . 1 1 27 27 GLY N N 15 109.722 0.000 . 1 . . . A 37 GLY N . 19002 1 324 . 1 1 28 28 GLY H H 1 8.271 0.000 . 1 . . . A 38 GLY H . 19002 1 325 . 1 1 28 28 GLY HA2 H 1 3.571 0.000 . 2 . . . A 38 GLY HA2 . 19002 1 326 . 1 1 28 28 GLY HA3 H 1 4.324 0.000 . 2 . . . A 38 GLY HA3 . 19002 1 327 . 1 1 28 28 GLY C C 13 174.489 0.000 . 1 . . . A 38 GLY C . 19002 1 328 . 1 1 28 28 GLY CA C 13 45.012 0.000 . 1 . . . A 38 GLY CA . 19002 1 329 . 1 1 28 28 GLY N N 15 104.904 0.000 . 1 . . . A 38 GLY N . 19002 1 330 . 1 1 29 29 LYS H H 1 7.471 0.000 . 1 . . . A 39 LYS H . 19002 1 331 . 1 1 29 29 LYS HA H 1 4.515 0.000 . 1 . . . A 39 LYS HA . 19002 1 332 . 1 1 29 29 LYS HB2 H 1 1.886 0.000 . 2 . . . A 39 LYS HB2 . 19002 1 333 . 1 1 29 29 LYS HB3 H 1 2.022 0.000 . 2 . . . A 39 LYS HB3 . 19002 1 334 . 1 1 29 29 LYS HG2 H 1 1.458 0.000 . 2 . . . A 39 LYS HG2 . 19002 1 335 . 1 1 29 29 LYS HG3 H 1 1.500 0.000 . 2 . . . A 39 LYS HG3 . 19002 1 336 . 1 1 29 29 LYS HD2 H 1 1.760 0.000 . 2 . . . A 39 LYS HD2 . 19002 1 337 . 1 1 29 29 LYS HD3 H 1 1.774 0.000 . 2 . . . A 39 LYS HD3 . 19002 1 338 . 1 1 29 29 LYS HE2 H 1 3.063 0.000 . 2 . . . A 39 LYS HE2 . 19002 1 339 . 1 1 29 29 LYS HE3 H 1 3.077 0.000 . 2 . . . A 39 LYS HE3 . 19002 1 340 . 1 1 29 29 LYS C C 13 174.995 0.000 . 1 . . . A 39 LYS C . 19002 1 341 . 1 1 29 29 LYS CA C 13 55.622 0.000 . 1 . . . A 39 LYS CA . 19002 1 342 . 1 1 29 29 LYS CB C 13 30.846 0.000 . 1 . . . A 39 LYS CB . 19002 1 343 . 1 1 29 29 LYS CG C 13 24.631 0.000 . 1 . . . A 39 LYS CG . 19002 1 344 . 1 1 29 29 LYS CD C 13 29.018 0.000 . 1 . . . A 39 LYS CD . 19002 1 345 . 1 1 29 29 LYS CE C 13 42.270 0.000 . 1 . . . A 39 LYS CE . 19002 1 346 . 1 1 29 29 LYS N N 15 122.169 0.000 . 1 . . . A 39 LYS N . 19002 1 347 . 1 1 30 30 TYR H H 1 7.687 0.000 . 1 . . . A 40 TYR H . 19002 1 348 . 1 1 30 30 TYR HA H 1 4.893 0.000 . 1 . . . A 40 TYR HA . 19002 1 349 . 1 1 30 30 TYR HB2 H 1 2.692 0.000 . 2 . . . A 40 TYR HB2 . 19002 1 350 . 1 1 30 30 TYR HB3 H 1 2.944 0.000 . 2 . . . A 40 TYR HB3 . 19002 1 351 . 1 1 30 30 TYR HD1 H 1 7.105 0.000 . 3 . . . A 40 TYR HD1 . 19002 1 352 . 1 1 30 30 TYR HD2 H 1 7.105 0.000 . 3 . . . A 40 TYR HD2 . 19002 1 353 . 1 1 30 30 TYR HE1 H 1 6.975 0.000 . 3 . . . A 40 TYR HE1 . 19002 1 354 . 1 1 30 30 TYR HE2 H 1 6.975 0.000 . 3 . . . A 40 TYR HE2 . 19002 1 355 . 1 1 30 30 TYR C C 13 173.883 0.000 . 1 . . . A 40 TYR C . 19002 1 356 . 1 1 30 30 TYR CA C 13 58.629 0.000 . 1 . . . A 40 TYR CA . 19002 1 357 . 1 1 30 30 TYR CB C 13 40.871 0.000 . 1 . . . A 40 TYR CB . 19002 1 358 . 1 1 30 30 TYR CD1 C 13 132.832 0.000 . 3 . . . A 40 TYR CD1 . 19002 1 359 . 1 1 30 30 TYR CD2 C 13 132.832 0.000 . 3 . . . A 40 TYR CD2 . 19002 1 360 . 1 1 30 30 TYR CE1 C 13 118.07 0.000 . 3 . . . A 40 TYR CE1 . 19002 1 361 . 1 1 30 30 TYR CE2 C 13 118.07 0.000 . 3 . . . A 40 TYR CE2 . 19002 1 362 . 1 1 30 30 TYR N N 15 123.749 0.000 . 1 . . . A 40 TYR N . 19002 1 363 . 1 1 31 31 SER H H 1 9.246 0.000 . 1 . . . A 41 SER H . 19002 1 364 . 1 1 31 31 SER HA H 1 5.061 0.000 . 1 . . . A 41 SER HA . 19002 1 365 . 1 1 31 31 SER HB2 H 1 4.001 0.000 . 2 . . . A 41 SER HB2 . 19002 1 366 . 1 1 31 31 SER HB3 H 1 4.377 0.000 . 2 . . . A 41 SER HB3 . 19002 1 367 . 1 1 31 31 SER C C 13 175.258 0.000 . 1 . . . A 41 SER C . 19002 1 368 . 1 1 31 31 SER CA C 13 56.913 0.000 . 1 . . . A 41 SER CA . 19002 1 369 . 1 1 31 31 SER CB C 13 67.136 0.000 . 1 . . . A 41 SER CB . 19002 1 370 . 1 1 31 31 SER N N 15 124.561 0.000 . 1 . . . A 41 SER N . 19002 1 371 . 1 1 32 32 ILE H H 1 8.848 0.000 . 1 . . . A 42 ILE H . 19002 1 372 . 1 1 32 32 ILE HA H 1 3.384 0.000 . 1 . . . A 42 ILE HA . 19002 1 373 . 1 1 32 32 ILE HB H 1 1.573 0.000 . 1 . . . A 42 ILE HB . 19002 1 374 . 1 1 32 32 ILE HG12 H 1 0.680 0.000 . 1 . . . A 42 ILE HG12 . 19002 1 375 . 1 1 32 32 ILE HG13 H 1 1.090 0.000 . 1 . . . A 42 ILE HG13 . 19002 1 376 . 1 1 32 32 ILE HG21 H 1 0.795 0.000 . 1 . . . A 42 ILE HG21 . 19002 1 377 . 1 1 32 32 ILE HG22 H 1 0.795 0.000 . 1 . . . A 42 ILE HG22 . 19002 1 378 . 1 1 32 32 ILE HG23 H 1 0.795 0.000 . 1 . . . A 42 ILE HG23 . 19002 1 379 . 1 1 32 32 ILE HD11 H 1 0.460 0.000 . 1 . . . A 42 ILE HD11 . 19002 1 380 . 1 1 32 32 ILE HD12 H 1 0.460 0.000 . 1 . . . A 42 ILE HD12 . 19002 1 381 . 1 1 32 32 ILE HD13 H 1 0.460 0.000 . 1 . . . A 42 ILE HD13 . 19002 1 382 . 1 1 32 32 ILE C C 13 176.573 0.000 . 1 . . . A 42 ILE C . 19002 1 383 . 1 1 32 32 ILE CA C 13 63.317 0.000 . 1 . . . A 42 ILE CA . 19002 1 384 . 1 1 32 32 ILE CB C 13 37.290 0.000 . 1 . . . A 42 ILE CB . 19002 1 385 . 1 1 32 32 ILE CG1 C 13 28.961 0.000 . 1 . . . A 42 ILE CG1 . 19002 1 386 . 1 1 32 32 ILE CG2 C 13 17.658 0.000 . 1 . . . A 42 ILE CG2 . 19002 1 387 . 1 1 32 32 ILE CD1 C 13 12.645 0.000 . 1 . . . A 42 ILE CD1 . 19002 1 388 . 1 1 32 32 ILE N N 15 122.298 0.000 . 1 . . . A 42 ILE N . 19002 1 389 . 1 1 33 33 ASP H H 1 7.673 0.000 . 1 . . . A 43 ASP H . 19002 1 390 . 1 1 33 33 ASP HA H 1 4.317 0.000 . 1 . . . A 43 ASP HA . 19002 1 391 . 1 1 33 33 ASP HB2 H 1 2.423 0.000 . 2 . . . A 43 ASP HB2 . 19002 1 392 . 1 1 33 33 ASP HB3 H 1 2.586 0.000 . 2 . . . A 43 ASP HB3 . 19002 1 393 . 1 1 33 33 ASP C C 13 178.940 0.000 . 1 . . . A 43 ASP C . 19002 1 394 . 1 1 33 33 ASP CA C 13 57.809 0.000 . 1 . . . A 43 ASP CA . 19002 1 395 . 1 1 33 33 ASP CB C 13 40.722 0.000 . 1 . . . A 43 ASP CB . 19002 1 396 . 1 1 33 33 ASP N N 15 118.987 0.000 . 1 . . . A 43 ASP N . 19002 1 397 . 1 1 34 34 ASP H H 1 7.610 0.000 . 1 . . . A 44 ASP H . 19002 1 398 . 1 1 34 34 ASP HA H 1 4.259 0.000 . 1 . . . A 44 ASP HA . 19002 1 399 . 1 1 34 34 ASP HB2 H 1 2.436 0.000 . 2 . . . A 44 ASP HB2 . 19002 1 400 . 1 1 34 34 ASP HB3 H 1 2.554 0.000 . 2 . . . A 44 ASP HB3 . 19002 1 401 . 1 1 34 34 ASP C C 13 177.564 0.000 . 1 . . . A 44 ASP C . 19002 1 402 . 1 1 34 34 ASP CA C 13 57.624 0.000 . 1 . . . A 44 ASP CA . 19002 1 403 . 1 1 34 34 ASP CB C 13 41.244 0.000 . 1 . . . A 44 ASP CB . 19002 1 404 . 1 1 34 34 ASP N N 15 121.961 0.000 . 1 . . . A 44 ASP N . 19002 1 405 . 1 1 35 35 TYR H H 1 7.750 0.000 . 1 . . . A 45 TYR H . 19002 1 406 . 1 1 35 35 TYR HA H 1 4.676 0.000 . 1 . . . A 45 TYR HA . 19002 1 407 . 1 1 35 35 TYR HB2 H 1 3.085 0.000 . 2 . . . A 45 TYR HB2 . 19002 1 408 . 1 1 35 35 TYR HB3 H 1 3.249 0.000 . 2 . . . A 45 TYR HB3 . 19002 1 409 . 1 1 35 35 TYR HD1 H 1 7.236 0.000 . 3 . . . A 45 TYR HD1 . 19002 1 410 . 1 1 35 35 TYR HD2 H 1 7.236 0.000 . 3 . . . A 45 TYR HD2 . 19002 1 411 . 1 1 35 35 TYR HE1 H 1 6.696 0.000 . 3 . . . A 45 TYR HE1 . 19002 1 412 . 1 1 35 35 TYR HE2 H 1 6.696 0.000 . 3 . . . A 45 TYR HE2 . 19002 1 413 . 1 1 35 35 TYR C C 13 177.362 0.000 . 1 . . . A 45 TYR C . 19002 1 414 . 1 1 35 35 TYR CA C 13 60.703 0.000 . 1 . . . A 45 TYR CA . 19002 1 415 . 1 1 35 35 TYR CB C 13 38.747 0.000 . 1 . . . A 45 TYR CB . 19002 1 416 . 1 1 35 35 TYR CD1 C 13 132.833 0.000 . 3 . . . A 45 TYR CD1 . 19002 1 417 . 1 1 35 35 TYR CD2 C 13 132.833 0.000 . 3 . . . A 45 TYR CD2 . 19002 1 418 . 1 1 35 35 TYR CE1 C 13 118.073 0.000 . 3 . . . A 45 TYR CE1 . 19002 1 419 . 1 1 35 35 TYR CE2 C 13 118.073 0.000 . 3 . . . A 45 TYR CE2 . 19002 1 420 . 1 1 35 35 TYR N N 15 121.352 0.000 . 1 . . . A 45 TYR N . 19002 1 421 . 1 1 36 36 LEU H H 1 8.544 0.000 . 1 . . . A 46 LEU H . 19002 1 422 . 1 1 36 36 LEU HA H 1 3.697 0.000 . 1 . . . A 46 LEU HA . 19002 1 423 . 1 1 36 36 LEU HB2 H 1 1.417 0.000 . 2 . . . A 46 LEU HB2 . 19002 1 424 . 1 1 36 36 LEU HB3 H 1 1.843 0.000 . 2 . . . A 46 LEU HB3 . 19002 1 425 . 1 1 36 36 LEU HG H 1 1.935 0.000 . 1 . . . A 46 LEU HG . 19002 1 426 . 1 1 36 36 LEU HD11 H 1 0.879 0.000 . 2 . . . A 46 LEU HD11 . 19002 1 427 . 1 1 36 36 LEU HD12 H 1 0.879 0.000 . 2 . . . A 46 LEU HD12 . 19002 1 428 . 1 1 36 36 LEU HD13 H 1 0.879 0.000 . 2 . . . A 46 LEU HD13 . 19002 1 429 . 1 1 36 36 LEU HD21 H 1 0.819 0.000 . 2 . . . A 46 LEU HD21 . 19002 1 430 . 1 1 36 36 LEU HD22 H 1 0.819 0.000 . 2 . . . A 46 LEU HD22 . 19002 1 431 . 1 1 36 36 LEU HD23 H 1 0.819 0.000 . 2 . . . A 46 LEU HD23 . 19002 1 432 . 1 1 36 36 LEU C C 13 179.850 0.000 . 1 . . . A 46 LEU C . 19002 1 433 . 1 1 36 36 LEU CA C 13 57.807 0.000 . 1 . . . A 46 LEU CA . 19002 1 434 . 1 1 36 36 LEU CB C 13 41.205 0.000 . 1 . . . A 46 LEU CB . 19002 1 435 . 1 1 36 36 LEU CG C 13 26.916 0.000 . 1 . . . A 46 LEU CG . 19002 1 436 . 1 1 36 36 LEU CD1 C 13 25.824 0.000 . 1 . . . A 46 LEU CD1 . 19002 1 437 . 1 1 36 36 LEU CD2 C 13 22.365 0.000 . 1 . . . A 46 LEU CD2 . 19002 1 438 . 1 1 36 36 LEU N N 15 118.650 0.000 . 1 . . . A 46 LEU N . 19002 1 439 . 1 1 37 37 ALA H H 1 7.716 0.000 . 1 . . . A 47 ALA H . 19002 1 440 . 1 1 37 37 ALA HA H 1 4.190 0.000 . 1 . . . A 47 ALA HA . 19002 1 441 . 1 1 37 37 ALA HB1 H 1 1.543 0.000 . 1 . . . A 47 ALA HB1 . 19002 1 442 . 1 1 37 37 ALA HB2 H 1 1.543 0.000 . 1 . . . A 47 ALA HB2 . 19002 1 443 . 1 1 37 37 ALA HB3 H 1 1.543 0.000 . 1 . . . A 47 ALA HB3 . 19002 1 444 . 1 1 37 37 ALA C C 13 180.457 0.000 . 1 . . . A 47 ALA C . 19002 1 445 . 1 1 37 37 ALA CA C 13 55.048 0.000 . 1 . . . A 47 ALA CA . 19002 1 446 . 1 1 37 37 ALA CB C 13 18.337 0.000 . 1 . . . A 47 ALA CB . 19002 1 447 . 1 1 37 37 ALA N N 15 121.991 0.000 . 1 . . . A 47 ALA N . 19002 1 448 . 1 1 38 38 ASP H H 1 8.316 0.000 . 1 . . . A 48 ASP H . 19002 1 449 . 1 1 38 38 ASP HA H 1 4.505 0.000 . 1 . . . A 48 ASP HA . 19002 1 450 . 1 1 38 38 ASP HB2 H 1 2.732 0.000 . 2 . . . A 48 ASP HB2 . 19002 1 451 . 1 1 38 38 ASP HB3 H 1 2.929 0.000 . 2 . . . A 48 ASP HB3 . 19002 1 452 . 1 1 38 38 ASP C C 13 178.596 0.000 . 1 . . . A 48 ASP C . 19002 1 453 . 1 1 38 38 ASP CA C 13 57.361 0.000 . 1 . . . A 48 ASP CA . 19002 1 454 . 1 1 38 38 ASP CB C 13 40.076 0.000 . 1 . . . A 48 ASP CB . 19002 1 455 . 1 1 38 38 ASP N N 15 120.788 0.000 . 1 . . . A 48 ASP N . 19002 1 456 . 1 1 39 39 ARG H H 1 8.459 0.000 . 1 . . . A 49 ARG H . 19002 1 457 . 1 1 39 39 ARG HA H 1 3.952 0.000 . 1 . . . A 49 ARG HA . 19002 1 458 . 1 1 39 39 ARG HB2 H 1 1.589 0.000 . 2 . . . A 49 ARG HB2 . 19002 1 459 . 1 1 39 39 ARG HB3 H 1 1.688 0.000 . 2 . . . A 49 ARG HB3 . 19002 1 460 . 1 1 39 39 ARG HG2 H 1 1.305 0.000 . 2 . . . A 49 ARG HG2 . 19002 1 461 . 1 1 39 39 ARG HG3 H 1 1.336 0.000 . 2 . . . A 49 ARG HG3 . 19002 1 462 . 1 1 39 39 ARG HD2 H 1 2.956 0.000 . 2 . . . A 49 ARG HD2 . 19002 1 463 . 1 1 39 39 ARG HD3 H 1 3.168 0.000 . 2 . . . A 49 ARG HD3 . 19002 1 464 . 1 1 39 39 ARG HE H 1 7.450 0.000 . 1 . . . A 49 ARG HE . 19002 1 465 . 1 1 39 39 ARG C C 13 178.454 0.000 . 1 . . . A 49 ARG C . 19002 1 466 . 1 1 39 39 ARG CA C 13 58.133 0.000 . 1 . . . A 49 ARG CA . 19002 1 467 . 1 1 39 39 ARG CB C 13 29.231 0.000 . 1 . . . A 49 ARG CB . 19002 1 468 . 1 1 39 39 ARG CG C 13 26.408 0.000 . 1 . . . A 49 ARG CG . 19002 1 469 . 1 1 39 39 ARG CD C 13 42.818 0.000 . 1 . . . A 49 ARG CD . 19002 1 470 . 1 1 39 39 ARG N N 15 120.274 0.000 . 1 . . . A 49 ARG N . 19002 1 471 . 1 1 39 39 ARG NE N 15 84.418 0.000 . 1 . . . A 49 ARG NE . 19002 1 472 . 1 1 40 40 GLU H H 1 7.734 0.000 . 1 . . . A 50 GLU H . 19002 1 473 . 1 1 40 40 GLU HA H 1 4.101 0.000 . 1 . . . A 50 GLU HA . 19002 1 474 . 1 1 40 40 GLU HB2 H 1 2.101 0.000 . 2 . . . A 50 GLU HB2 . 19002 1 475 . 1 1 40 40 GLU HB3 H 1 2.133 0.000 . 2 . . . A 50 GLU HB3 . 19002 1 476 . 1 1 40 40 GLU HG2 H 1 2.283 0.000 . 2 . . . A 50 GLU HG2 . 19002 1 477 . 1 1 40 40 GLU HG3 H 1 2.420 0.000 . 2 . . . A 50 GLU HG3 . 19002 1 478 . 1 1 40 40 GLU C C 13 178.353 0.000 . 1 . . . A 50 GLU C . 19002 1 479 . 1 1 40 40 GLU CA C 13 58.928 0.000 . 1 . . . A 50 GLU CA . 19002 1 480 . 1 1 40 40 GLU CB C 13 29.530 0.000 . 1 . . . A 50 GLU CB . 19002 1 481 . 1 1 40 40 GLU CG C 13 36.435 0.000 . 1 . . . A 50 GLU CG . 19002 1 482 . 1 1 40 40 GLU N N 15 118.834 0.000 . 1 . . . A 50 GLU N . 19002 1 483 . 1 1 41 41 ARG H H 1 7.694 0.000 . 1 . . . A 51 ARG H . 19002 1 484 . 1 1 41 41 ARG HA H 1 4.240 0.000 . 1 . . . A 51 ARG HA . 19002 1 485 . 1 1 41 41 ARG HB2 H 1 2.020 0.000 . 2 . . . A 51 ARG HB2 . 19002 1 486 . 1 1 41 41 ARG HB3 H 1 2.031 0.000 . 2 . . . A 51 ARG HB3 . 19002 1 487 . 1 1 41 41 ARG HG2 H 1 1.738 0.000 . 2 . . . A 51 ARG HG2 . 19002 1 488 . 1 1 41 41 ARG HG3 H 1 1.812 0.000 . 2 . . . A 51 ARG HG3 . 19002 1 489 . 1 1 41 41 ARG HD2 H 1 3.297 0.000 . 2 . . . A 51 ARG HD2 . 19002 1 490 . 1 1 41 41 ARG HD3 H 1 3.314 0.000 . 2 . . . A 51 ARG HD3 . 19002 1 491 . 1 1 41 41 ARG C C 13 178.370 0.000 . 1 . . . A 51 ARG C . 19002 1 492 . 1 1 41 41 ARG CA C 13 58.105 0.000 . 1 . . . A 51 ARG CA . 19002 1 493 . 1 1 41 41 ARG CB C 13 30.649 0.000 . 1 . . . A 51 ARG CB . 19002 1 494 . 1 1 41 41 ARG CG C 13 27.647 0.000 . 1 . . . A 51 ARG CG . 19002 1 495 . 1 1 41 41 ARG CD C 13 43.458 0.000 . 1 . . . A 51 ARG CD . 19002 1 496 . 1 1 41 41 ARG N N 15 119.239 0.000 . 1 . . . A 51 ARG N . 19002 1 497 . 1 1 42 42 GLU H H 1 8.299 0.000 . 1 . . . A 52 GLU H . 19002 1 498 . 1 1 42 42 GLU HA H 1 4.099 0.000 . 1 . . . A 52 GLU HA . 19002 1 499 . 1 1 42 42 GLU HB2 H 1 2.128 0.000 . 2 . . . A 52 GLU HB2 . 19002 1 500 . 1 1 42 42 GLU HB3 H 1 2.128 0.000 . 2 . . . A 52 GLU HB3 . 19002 1 501 . 1 1 42 42 GLU HG2 H 1 2.327 0.000 . 2 . . . A 52 GLU HG2 . 19002 1 502 . 1 1 42 42 GLU HG3 H 1 2.510 0.000 . 2 . . . A 52 GLU HG3 . 19002 1 503 . 1 1 42 42 GLU C C 13 178.370 0.000 . 1 . . . A 52 GLU C . 19002 1 504 . 1 1 42 42 GLU CA C 13 58.538 0.000 . 1 . . . A 52 GLU CA . 19002 1 505 . 1 1 42 42 GLU CB C 13 29.661 0.000 . 1 . . . A 52 GLU CB . 19002 1 506 . 1 1 42 42 GLU CG C 13 36.512 0.000 . 1 . . . A 52 GLU CG . 19002 1 507 . 1 1 42 42 GLU N N 15 119.667 0.000 . 1 . . . A 52 GLU N . 19002 1 508 . 1 1 43 43 GLU H H 1 8.098 0.000 . 1 . . . A 53 GLU H . 19002 1 509 . 1 1 43 43 GLU HA H 1 4.210 0.000 . 1 . . . A 53 GLU HA . 19002 1 510 . 1 1 43 43 GLU HB2 H 1 2.130 0.000 . 2 . . . A 53 GLU HB2 . 19002 1 511 . 1 1 43 43 GLU HB3 H 1 2.136 0.000 . 2 . . . A 53 GLU HB3 . 19002 1 512 . 1 1 43 43 GLU HG2 H 1 2.337 0.000 . 2 . . . A 53 GLU HG2 . 19002 1 513 . 1 1 43 43 GLU HG3 H 1 2.432 0.000 . 2 . . . A 53 GLU HG3 . 19002 1 514 . 1 1 43 43 GLU C C 13 177.740 0.000 . 1 . . . A 53 GLU C . 19002 1 515 . 1 1 43 43 GLU CA C 13 58.172 0.000 . 1 . . . A 53 GLU CA . 19002 1 516 . 1 1 43 43 GLU CB C 13 29.530 0.000 . 1 . . . A 53 GLU CB . 19002 1 517 . 1 1 43 43 GLU CG C 13 36.421 0.000 . 1 . . . A 53 GLU CG . 19002 1 518 . 1 1 43 43 GLU N N 15 119.152 0.000 . 1 . . . A 53 GLU N . 19002 1 519 . 1 1 44 44 GLU H H 1 7.968 0.000 . 1 . . . A 54 GLU H . 19002 1 520 . 1 1 44 44 GLU HA H 1 4.212 0.000 . 1 . . . A 54 GLU HA . 19002 1 521 . 1 1 44 44 GLU HB2 H 1 2.131 0.000 . 2 . . . A 54 GLU HB2 . 19002 1 522 . 1 1 44 44 GLU HB3 H 1 2.131 0.000 . 2 . . . A 54 GLU HB3 . 19002 1 523 . 1 1 44 44 GLU HG2 H 1 2.314 0.000 . 2 . . . A 54 GLU HG2 . 19002 1 524 . 1 1 44 44 GLU HG3 H 1 2.428 0.000 . 2 . . . A 54 GLU HG3 . 19002 1 525 . 1 1 44 44 GLU C C 13 177.443 0.000 . 1 . . . A 54 GLU C . 19002 1 526 . 1 1 44 44 GLU CA C 13 58.081 0.000 . 1 . . . A 54 GLU CA . 19002 1 527 . 1 1 44 44 GLU CB C 13 29.788 0.000 . 1 . . . A 54 GLU CB . 19002 1 528 . 1 1 44 44 GLU CG C 13 36.512 0.000 . 1 . . . A 54 GLU CG . 19002 1 529 . 1 1 44 44 GLU N N 15 120.097 0.000 . 1 . . . A 54 GLU N . 19002 1 530 . 1 1 45 45 LEU H H 1 7.905 0.000 . 1 . . . A 55 LEU H . 19002 1 531 . 1 1 45 45 LEU HA H 1 4.288 0.000 . 1 . . . A 55 LEU HA . 19002 1 532 . 1 1 45 45 LEU HB2 H 1 1.623 0.000 . 2 . . . A 55 LEU HB2 . 19002 1 533 . 1 1 45 45 LEU HB3 H 1 1.780 0.000 . 2 . . . A 55 LEU HB3 . 19002 1 534 . 1 1 45 45 LEU HG H 1 1.744 0.000 . 1 . . . A 55 LEU HG . 19002 1 535 . 1 1 45 45 LEU HD11 H 1 0.955 0.000 . 2 . . . A 55 LEU HD11 . 19002 1 536 . 1 1 45 45 LEU HD12 H 1 0.955 0.000 . 2 . . . A 55 LEU HD12 . 19002 1 537 . 1 1 45 45 LEU HD13 H 1 0.955 0.000 . 2 . . . A 55 LEU HD13 . 19002 1 538 . 1 1 45 45 LEU HD21 H 1 0.906 0.000 . 2 . . . A 55 LEU HD21 . 19002 1 539 . 1 1 45 45 LEU HD22 H 1 0.906 0.000 . 2 . . . A 55 LEU HD22 . 19002 1 540 . 1 1 45 45 LEU HD23 H 1 0.906 0.000 . 2 . . . A 55 LEU HD23 . 19002 1 541 . 1 1 45 45 LEU C C 13 177.735 0.000 . 1 . . . A 55 LEU C . 19002 1 542 . 1 1 45 45 LEU CA C 13 56.070 0.000 . 1 . . . A 55 LEU CA . 19002 1 543 . 1 1 45 45 LEU CB C 13 42.062 0.000 . 1 . . . A 55 LEU CB . 19002 1 544 . 1 1 45 45 LEU CG C 13 27.007 0.000 . 1 . . . A 55 LEU CG . 19002 1 545 . 1 1 45 45 LEU CD1 C 13 25.048 0.000 . 1 . . . A 55 LEU CD1 . 19002 1 546 . 1 1 45 45 LEU CD2 C 13 23.400 0.000 . 1 . . . A 55 LEU CD2 . 19002 1 547 . 1 1 45 45 LEU N N 15 120.563 0.000 . 1 . . . A 55 LEU N . 19002 1 548 . 1 1 46 46 LEU H H 1 7.859 0.000 . 1 . . . A 56 LEU H . 19002 1 549 . 1 1 46 46 LEU HA H 1 4.312 0.000 . 1 . . . A 56 LEU HA . 19002 1 550 . 1 1 46 46 LEU HB2 H 1 1.615 0.000 . 2 . . . A 56 LEU HB2 . 19002 1 551 . 1 1 46 46 LEU HB3 H 1 1.773 0.000 . 2 . . . A 56 LEU HB3 . 19002 1 552 . 1 1 46 46 LEU HG H 1 1.741 0.000 . 1 . . . A 56 LEU HG . 19002 1 553 . 1 1 46 46 LEU HD11 H 1 0.948 0.000 . 2 . . . A 56 LEU HD11 . 19002 1 554 . 1 1 46 46 LEU HD12 H 1 0.948 0.000 . 2 . . . A 56 LEU HD12 . 19002 1 555 . 1 1 46 46 LEU HD13 H 1 0.948 0.000 . 2 . . . A 56 LEU HD13 . 19002 1 556 . 1 1 46 46 LEU HD21 H 1 0.895 0.000 . 2 . . . A 56 LEU HD21 . 19002 1 557 . 1 1 46 46 LEU HD22 H 1 0.895 0.000 . 2 . . . A 56 LEU HD22 . 19002 1 558 . 1 1 46 46 LEU HD23 H 1 0.895 0.000 . 2 . . . A 56 LEU HD23 . 19002 1 559 . 1 1 46 46 LEU C C 13 177.726 0.000 . 1 . . . A 56 LEU C . 19002 1 560 . 1 1 46 46 LEU CA C 13 55.979 0.000 . 1 . . . A 56 LEU CA . 19002 1 561 . 1 1 46 46 LEU CB C 13 42.635 0.000 . 1 . . . A 56 LEU CB . 19002 1 562 . 1 1 46 46 LEU CG C 13 27.099 0.000 . 1 . . . A 56 LEU CG . 19002 1 563 . 1 1 46 46 LEU CD1 C 13 25.088 0.000 . 1 . . . A 56 LEU CD1 . 19002 1 564 . 1 1 46 46 LEU CD2 C 13 23.534 0.000 . 1 . . . A 56 LEU CD2 . 19002 1 565 . 1 1 46 46 LEU N N 15 121.250 0.000 . 1 . . . A 56 LEU N . 19002 1 566 . 1 1 47 47 GLU H H 1 8.153 0.000 . 1 . . . A 57 GLU H . 19002 1 567 . 1 1 47 47 GLU HA H 1 4.283 0.000 . 1 . . . A 57 GLU HA . 19002 1 568 . 1 1 47 47 GLU HB2 H 1 1.995 0.000 . 2 . . . A 57 GLU HB2 . 19002 1 569 . 1 1 47 47 GLU HB3 H 1 2.130 0.000 . 2 . . . A 57 GLU HB3 . 19002 1 570 . 1 1 47 47 GLU HG2 H 1 2.276 0.000 . 2 . . . A 57 GLU HG2 . 19002 1 571 . 1 1 47 47 GLU HG3 H 1 2.326 0.000 . 2 . . . A 57 GLU HG3 . 19002 1 572 . 1 1 47 47 GLU C C 13 176.553 0.000 . 1 . . . A 57 GLU C . 19002 1 573 . 1 1 47 47 GLU CA C 13 57.076 0.000 . 1 . . . A 57 GLU CA . 19002 1 574 . 1 1 47 47 GLU CB C 13 30.052 0.000 . 1 . . . A 57 GLU CB . 19002 1 575 . 1 1 47 47 GLU CG C 13 36.477 0.000 . 1 . . . A 57 GLU CG . 19002 1 576 . 1 1 47 47 GLU N N 15 120.632 0.000 . 1 . . . A 57 GLU N . 19002 1 577 . 1 1 48 48 ARG H H 1 8.146 0.000 . 1 . . . A 58 ARG H . 19002 1 578 . 1 1 48 48 ARG HA H 1 4.372 0.000 . 1 . . . A 58 ARG HA . 19002 1 579 . 1 1 48 48 ARG HB2 H 1 1.810 0.000 . 2 . . . A 58 ARG HB2 . 19002 1 580 . 1 1 48 48 ARG HB3 H 1 1.899 0.000 . 2 . . . A 58 ARG HB3 . 19002 1 581 . 1 1 48 48 ARG HG2 H 1 1.660 0.000 . 2 . . . A 58 ARG HG2 . 19002 1 582 . 1 1 48 48 ARG HG3 H 1 1.680 0.000 . 2 . . . A 58 ARG HG3 . 19002 1 583 . 1 1 48 48 ARG HD2 H 1 3.210 0.000 . 2 . . . A 58 ARG HD2 . 19002 1 584 . 1 1 48 48 ARG HD3 H 1 3.216 0.000 . 2 . . . A 58 ARG HD3 . 19002 1 585 . 1 1 48 48 ARG C C 13 176.169 0.000 . 1 . . . A 58 ARG C . 19002 1 586 . 1 1 48 48 ARG CA C 13 56.344 0.000 . 1 . . . A 58 ARG CA . 19002 1 587 . 1 1 48 48 ARG CB C 13 31.102 0.000 . 1 . . . A 58 ARG CB . 19002 1 588 . 1 1 48 48 ARG CG C 13 27.098 0.000 . 1 . . . A 58 ARG CG . 19002 1 589 . 1 1 48 48 ARG CD C 13 43.653 0.000 . 1 . . . A 58 ARG CD . 19002 1 590 . 1 1 48 48 ARG N N 15 121.282 0.000 . 1 . . . A 58 ARG N . 19002 1 591 . 1 1 49 49 ASP H H 1 8.386 0.000 . 1 . . . A 59 ASP H . 19002 1 592 . 1 1 49 49 ASP HA H 1 4.639 0.000 . 1 . . . A 59 ASP HA . 19002 1 593 . 1 1 49 49 ASP HB2 H 1 2.649 0.000 . 2 . . . A 59 ASP HB2 . 19002 1 594 . 1 1 49 49 ASP HB3 H 1 2.755 0.000 . 2 . . . A 59 ASP HB3 . 19002 1 595 . 1 1 49 49 ASP C C 13 176.553 0.000 . 1 . . . A 59 ASP C . 19002 1 596 . 1 1 49 49 ASP CA C 13 54.768 0.000 . 1 . . . A 59 ASP CA . 19002 1 597 . 1 1 49 49 ASP CB C 13 41.256 0.000 . 1 . . . A 59 ASP CB . 19002 1 598 . 1 1 49 49 ASP N N 15 121.619 0.000 . 1 . . . A 59 ASP N . 19002 1 599 . 1 1 50 50 GLU H H 1 8.372 0.000 . 1 . . . A 60 GLU H . 19002 1 600 . 1 1 50 50 GLU HA H 1 4.273 0.000 . 1 . . . A 60 GLU HA . 19002 1 601 . 1 1 50 50 GLU HB2 H 1 1.990 0.000 . 2 . . . A 60 GLU HB2 . 19002 1 602 . 1 1 50 50 GLU HB3 H 1 2.103 0.000 . 2 . . . A 60 GLU HB3 . 19002 1 603 . 1 1 50 50 GLU HG2 H 1 2.261 0.000 . 2 . . . A 60 GLU HG2 . 19002 1 604 . 1 1 50 50 GLU HG3 H 1 2.329 0.000 . 2 . . . A 60 GLU HG3 . 19002 1 605 . 1 1 50 50 GLU C C 13 176.876 0.000 . 1 . . . A 60 GLU C . 19002 1 606 . 1 1 50 50 GLU CA C 13 57.361 0.000 . 1 . . . A 60 GLU CA . 19002 1 607 . 1 1 50 50 GLU CB C 13 30.425 0.000 . 1 . . . A 60 GLU CB . 19002 1 608 . 1 1 50 50 GLU CG C 13 36.511 0.000 . 1 . . . A 60 GLU CG . 19002 1 609 . 1 1 50 50 GLU N N 15 121.214 0.000 . 1 . . . A 60 GLU N . 19002 1 610 . 1 1 51 51 GLU H H 1 8.384 0.000 . 1 . . . A 61 GLU H . 19002 1 611 . 1 1 51 51 GLU HA H 1 4.210 0.000 . 1 . . . A 61 GLU HA . 19002 1 612 . 1 1 51 51 GLU HB2 H 1 2.093 0.000 . 2 . . . A 61 GLU HB2 . 19002 1 613 . 1 1 51 51 GLU HB3 H 1 2.005 0.000 . 2 . . . A 61 GLU HB3 . 19002 1 614 . 1 1 51 51 GLU HG2 H 1 2.310 0.000 . 2 . . . A 61 GLU HG2 . 19002 1 615 . 1 1 51 51 GLU HG3 H 1 1.648 0.000 . 2 . . . A 61 GLU HG3 . 19002 1 616 . 1 1 51 51 GLU C C 13 176.832 0.000 . 1 . . . A 61 GLU C . 19002 1 617 . 1 1 51 51 GLU CA C 13 57.734 0.000 . 1 . . . A 61 GLU CA . 19002 1 618 . 1 1 51 51 GLU CB C 13 30.425 0.000 . 1 . . . A 61 GLU CB . 19002 1 619 . 1 1 51 51 GLU CG C 13 36.600 0.000 . 1 . . . A 61 GLU CG . 19002 1 620 . 1 1 51 51 GLU N N 15 121.077 0.000 . 1 . . . A 61 GLU N . 19002 1 621 . 1 1 52 52 GLU H H 1 8.300 0.000 . 1 . . . A 62 GLU H . 19002 1 622 . 1 1 52 52 GLU HA H 1 4.249 0.000 . 1 . . . A 62 GLU HA . 19002 1 623 . 1 1 52 52 GLU HB2 H 1 1.993 0.000 . 2 . . . A 62 GLU HB2 . 19002 1 624 . 1 1 52 52 GLU HB3 H 1 2.101 0.000 . 2 . . . A 62 GLU HB3 . 19002 1 625 . 1 1 52 52 GLU HG2 H 1 2.277 0.000 . 2 . . . A 62 GLU HG2 . 19002 1 626 . 1 1 52 52 GLU HG3 H 1 2.326 0.000 . 2 . . . A 62 GLU HG3 . 19002 1 627 . 1 1 52 52 GLU C C 13 176.432 0.000 . 1 . . . A 62 GLU C . 19002 1 628 . 1 1 52 52 GLU CA C 13 57.137 0.000 . 1 . . . A 62 GLU CA . 19002 1 629 . 1 1 52 52 GLU CB C 13 30.425 0.000 . 1 . . . A 62 GLU CB . 19002 1 630 . 1 1 52 52 GLU CG C 13 36.344 0.000 . 1 . . . A 62 GLU CG . 19002 1 631 . 1 1 52 52 GLU N N 15 121.155 0.000 . 1 . . . A 62 GLU N . 19002 1 632 . 1 1 53 53 ALA H H 1 8.178 0.000 . 1 . . . A 63 ALA H . 19002 1 633 . 1 1 53 53 ALA HA H 1 4.293 0.000 . 1 . . . A 63 ALA HA . 19002 1 634 . 1 1 53 53 ALA HB1 H 1 1.356 0.000 . 1 . . . A 63 ALA HB1 . 19002 1 635 . 1 1 53 53 ALA HB2 H 1 1.356 0.000 . 1 . . . A 63 ALA HB2 . 19002 1 636 . 1 1 53 53 ALA HB3 H 1 1.356 0.000 . 1 . . . A 63 ALA HB3 . 19002 1 637 . 1 1 53 53 ALA C C 13 177.483 0.000 . 1 . . . A 63 ALA C . 19002 1 638 . 1 1 53 53 ALA CA C 13 52.915 0.000 . 1 . . . A 63 ALA CA . 19002 1 639 . 1 1 53 53 ALA CB C 13 19.070 0.000 . 1 . . . A 63 ALA CB . 19002 1 640 . 1 1 53 53 ALA N N 15 124.607 0.000 . 1 . . . A 63 ALA N . 19002 1 641 . 1 1 54 54 ILE H H 1 7.872 0.000 . 1 . . . A 64 ILE H . 19002 1 642 . 1 1 54 54 ILE HA H 1 4.076 0.000 . 1 . . . A 64 ILE HA . 19002 1 643 . 1 1 54 54 ILE HB H 1 1.753 0.000 . 1 . . . A 64 ILE HB . 19002 1 644 . 1 1 54 54 ILE HG12 H 1 1.088 0.000 . 1 . . . A 64 ILE HG12 . 19002 1 645 . 1 1 54 54 ILE HG13 H 1 1.340 0.000 . 1 . . . A 64 ILE HG13 . 19002 1 646 . 1 1 54 54 ILE HG21 H 1 0.706 0.000 . 1 . . . A 64 ILE HG21 . 19002 1 647 . 1 1 54 54 ILE HG22 H 1 0.706 0.000 . 1 . . . A 64 ILE HG22 . 19002 1 648 . 1 1 54 54 ILE HG23 H 1 0.706 0.000 . 1 . . . A 64 ILE HG23 . 19002 1 649 . 1 1 54 54 ILE HD11 H 1 0.805 0.000 . 1 . . . A 64 ILE HD11 . 19002 1 650 . 1 1 54 54 ILE HD12 H 1 0.805 0.000 . 1 . . . A 64 ILE HD12 . 19002 1 651 . 1 1 54 54 ILE HD13 H 1 0.805 0.000 . 1 . . . A 64 ILE HD13 . 19002 1 652 . 1 1 54 54 ILE C C 13 176.047 0.000 . 1 . . . A 64 ILE C . 19002 1 653 . 1 1 54 54 ILE CA C 13 61.342 0.000 . 1 . . . A 64 ILE CA . 19002 1 654 . 1 1 54 54 ILE CB C 13 38.700 0.000 . 1 . . . A 64 ILE CB . 19002 1 655 . 1 1 54 54 ILE CG1 C 13 27.107 0.000 . 1 . . . A 64 ILE CG1 . 19002 1 656 . 1 1 54 54 ILE CG2 C 13 17.393 0.000 . 1 . . . A 64 ILE CG2 . 19002 1 657 . 1 1 54 54 ILE CD1 C 13 13.000 0.000 . 1 . . . A 64 ILE CD1 . 19002 1 658 . 1 1 54 54 ILE N N 15 118.941 0.000 . 1 . . . A 64 ILE N . 19002 1 659 . 1 1 55 55 PHE H H 1 8.188 0.000 . 1 . . . A 65 PHE H . 19002 1 660 . 1 1 55 55 PHE HA H 1 4.615 0.000 . 1 . . . A 65 PHE HA . 19002 1 661 . 1 1 55 55 PHE HB2 H 1 3.008 0.000 . 2 . . . A 65 PHE HB2 . 19002 1 662 . 1 1 55 55 PHE HB3 H 1 3.189 0.000 . 2 . . . A 65 PHE HB3 . 19002 1 663 . 1 1 55 55 PHE HD1 H 1 7.260 0.000 . 3 . . . A 65 PHE HD1 . 19002 1 664 . 1 1 55 55 PHE HD2 H 1 7.261 0.000 . 3 . . . A 65 PHE HD2 . 19002 1 665 . 1 1 55 55 PHE HE1 H 1 7.340 0.000 . 3 . . . A 65 PHE HE1 . 19002 1 666 . 1 1 55 55 PHE HE2 H 1 7.340 0.000 . 3 . . . A 65 PHE HE2 . 19002 1 667 . 1 1 55 55 PHE C C 13 176.270 0.000 . 1 . . . A 65 PHE C . 19002 1 668 . 1 1 55 55 PHE CA C 13 57.807 0.000 . 1 . . . A 65 PHE CA . 19002 1 669 . 1 1 55 55 PHE CB C 13 39.827 0.000 . 1 . . . A 65 PHE CB . 19002 1 670 . 1 1 55 55 PHE CD1 C 13 131.683 0.000 . 3 . . . A 65 PHE CD1 . 19002 1 671 . 1 1 55 55 PHE CD2 C 13 131.683 0.000 . 3 . . . A 65 PHE CD2 . 19002 1 672 . 1 1 55 55 PHE CE1 C 13 131.193 0.000 . 3 . . . A 65 PHE CE1 . 19002 1 673 . 1 1 55 55 PHE CE2 C 13 131.193 0.000 . 3 . . . A 65 PHE CE2 . 19002 1 674 . 1 1 55 55 PHE N N 15 122.809 0.000 . 1 . . . A 65 PHE N . 19002 1 675 . 1 1 56 56 GLY H H 1 8.213 0.000 . 1 . . . A 66 GLY H . 19002 1 676 . 1 1 56 56 GLY HA2 H 1 3.946 0.000 . 2 . . . A 66 GLY HA2 . 19002 1 677 . 1 1 56 56 GLY HA3 H 1 3.977 0.000 . 2 . . . A 66 GLY HA3 . 19002 1 678 . 1 1 56 56 GLY C C 13 173.802 0.000 . 1 . . . A 66 GLY C . 19002 1 679 . 1 1 56 56 GLY CA C 13 45.391 0.000 . 1 . . . A 66 GLY CA . 19002 1 680 . 1 1 56 56 GLY N N 15 110.278 0.000 . 1 . . . A 66 GLY N . 19002 1 681 . 1 1 57 57 ASP H H 1 8.254 0.000 . 1 . . . A 67 ASP H . 19002 1 682 . 1 1 57 57 ASP HA H 1 4.599 0.000 . 1 . . . A 67 ASP HA . 19002 1 683 . 1 1 57 57 ASP HB2 H 1 2.664 0.000 . 2 . . . A 67 ASP HB2 . 19002 1 684 . 1 1 57 57 ASP HB3 H 1 2.720 0.000 . 2 . . . A 67 ASP HB3 . 19002 1 685 . 1 1 57 57 ASP C C 13 176.897 0.000 . 1 . . . A 67 ASP C . 19002 1 686 . 1 1 57 57 ASP CA C 13 54.425 0.000 . 1 . . . A 67 ASP CA . 19002 1 687 . 1 1 57 57 ASP CB C 13 41.265 0.000 . 1 . . . A 67 ASP CB . 19002 1 688 . 1 1 57 57 ASP N N 15 120.510 0.000 . 1 . . . A 67 ASP N . 19002 1 689 . 1 1 58 58 GLY H H 1 8.342 0.000 . 1 . . . A 68 GLY H . 19002 1 690 . 1 1 58 58 GLY HA2 H 1 3.910 0.000 . 2 . . . A 68 GLY HA2 . 19002 1 691 . 1 1 58 58 GLY HA3 H 1 3.940 0.000 . 2 . . . A 68 GLY HA3 . 19002 1 692 . 1 1 58 58 GLY C C 13 174.307 0.000 . 1 . . . A 68 GLY C . 19002 1 693 . 1 1 58 58 GLY CA C 13 46.020 0.000 . 1 . . . A 68 GLY CA . 19002 1 694 . 1 1 58 58 GLY N N 15 108.789 0.000 . 1 . . . A 68 GLY N . 19002 1 695 . 1 1 59 59 PHE H H 1 8.178 0.000 . 1 . . . A 69 PHE H . 19002 1 696 . 1 1 59 59 PHE HA H 1 4.599 0.000 . 1 . . . A 69 PHE HA . 19002 1 697 . 1 1 59 59 PHE HB2 H 1 3.041 0.000 . 2 . . . A 69 PHE HB2 . 19002 1 698 . 1 1 59 59 PHE HB3 H 1 3.199 0.000 . 2 . . . A 69 PHE HB3 . 19002 1 699 . 1 1 59 59 PHE HD1 H 1 7.250 0.000 . 3 . . . A 69 PHE HD1 . 19002 1 700 . 1 1 59 59 PHE HD2 H 1 7.250 0.000 . 3 . . . A 69 PHE HD2 . 19002 1 701 . 1 1 59 59 PHE C C 13 176.432 0.000 . 1 . . . A 69 PHE C . 19002 1 702 . 1 1 59 59 PHE CA C 13 58.146 0.000 . 1 . . . A 69 PHE CA . 19002 1 703 . 1 1 59 59 PHE CB C 13 39.339 0.000 . 1 . . . A 69 PHE CB . 19002 1 704 . 1 1 59 59 PHE CD1 C 13 132.183 0.000 . 3 . . . A 69 PHE CD1 . 19002 1 705 . 1 1 59 59 PHE CD2 C 13 132.183 0.000 . 3 . . . A 69 PHE CD2 . 19002 1 706 . 1 1 59 59 PHE N N 15 119.903 0.000 . 1 . . . A 69 PHE N . 19002 1 707 . 1 1 60 60 GLY H H 1 8.382 0.000 . 1 . . . A 70 GLY H . 19002 1 708 . 1 1 60 60 GLY HA2 H 1 3.864 0.000 . 2 . . . A 70 GLY HA2 . 19002 1 709 . 1 1 60 60 GLY HA3 H 1 3.962 0.000 . 2 . . . A 70 GLY HA3 . 19002 1 710 . 1 1 60 60 GLY C C 13 174.227 0.000 . 1 . . . A 70 GLY C . 19002 1 711 . 1 1 60 60 GLY CA C 13 45.628 0.000 . 1 . . . A 70 GLY CA . 19002 1 712 . 1 1 60 60 GLY N N 15 110.089 0.000 . 1 . . . A 70 GLY N . 19002 1 713 . 1 1 61 61 LEU H H 1 8.069 0.000 . 1 . . . A 71 LEU H . 19002 1 714 . 1 1 61 61 LEU HA H 1 4.290 0.000 . 1 . . . A 71 LEU HA . 19002 1 715 . 1 1 61 61 LEU HB2 H 1 1.681 0.000 . 2 . . . A 71 LEU HB2 . 19002 1 716 . 1 1 61 61 LEU HB3 H 1 1.615 0.000 . 2 . . . A 71 LEU HB3 . 19002 1 717 . 1 1 61 61 LEU HG H 1 1.621 0.000 . 1 . . . A 71 LEU HG . 19002 1 718 . 1 1 61 61 LEU HD11 H 1 0.957 0.000 . 2 . . . A 71 LEU HD11 . 19002 1 719 . 1 1 61 61 LEU HD12 H 1 0.957 0.000 . 2 . . . A 71 LEU HD12 . 19002 1 720 . 1 1 61 61 LEU HD13 H 1 0.957 0.000 . 2 . . . A 71 LEU HD13 . 19002 1 721 . 1 1 61 61 LEU HD21 H 1 0.901 0.000 . 2 . . . A 71 LEU HD21 . 19002 1 722 . 1 1 61 61 LEU HD22 H 1 0.901 0.000 . 2 . . . A 71 LEU HD22 . 19002 1 723 . 1 1 61 61 LEU HD23 H 1 0.901 0.000 . 2 . . . A 71 LEU HD23 . 19002 1 724 . 1 1 61 61 LEU C C 13 177.645 0.000 . 1 . . . A 71 LEU C . 19002 1 725 . 1 1 61 61 LEU CA C 13 55.500 0.000 . 1 . . . A 71 LEU CA . 19002 1 726 . 1 1 61 61 LEU CB C 13 42.400 0.000 . 1 . . . A 71 LEU CB . 19002 1 727 . 1 1 61 61 LEU CG C 13 27.007 0.000 . 1 . . . A 71 LEU CG . 19002 1 728 . 1 1 61 61 LEU CD1 C 13 25.000 0.000 . 1 . . . A 71 LEU CD1 . 19002 1 729 . 1 1 61 61 LEU CD2 C 13 23.600 0.000 . 1 . . . A 71 LEU CD2 . 19002 1 730 . 1 1 61 61 LEU N N 15 121.600 0.000 . 1 . . . A 71 LEU N . 19002 1 731 . 1 1 62 62 LYS H H 1 8.372 0.000 . 1 . . . A 72 LYS H . 19002 1 732 . 1 1 62 62 LYS HA H 1 4.283 0.000 . 1 . . . A 72 LYS HA . 19002 1 733 . 1 1 62 62 LYS HB2 H 1 1.788 0.000 . 2 . . . A 72 LYS HB2 . 19002 1 734 . 1 1 62 62 LYS HB3 H 1 1.860 0.000 . 2 . . . A 72 LYS HB3 . 19002 1 735 . 1 1 62 62 LYS HG2 H 1 1.424 0.000 . 2 . . . A 72 LYS HG2 . 19002 1 736 . 1 1 62 62 LYS HG3 H 1 1.475 0.000 . 2 . . . A 72 LYS HG3 . 19002 1 737 . 1 1 62 62 LYS HD2 H 1 1.701 0.000 . 2 . . . A 72 LYS HD2 . 19002 1 738 . 1 1 62 62 LYS HD3 H 1 1.712 0.000 . 2 . . . A 72 LYS HD3 . 19002 1 739 . 1 1 62 62 LYS HE2 H 1 2.978 0.000 . 2 . . . A 72 LYS HE2 . 19002 1 740 . 1 1 62 62 LYS HE3 H 1 3.020 0.000 . 2 . . . A 72 LYS HE3 . 19002 1 741 . 1 1 62 62 LYS C C 13 176.553 0.000 . 1 . . . A 72 LYS C . 19002 1 742 . 1 1 62 62 LYS CA C 13 56.594 0.000 . 1 . . . A 72 LYS CA . 19002 1 743 . 1 1 62 62 LYS CB C 13 32.765 0.000 . 1 . . . A 72 LYS CB . 19002 1 744 . 1 1 62 62 LYS CG C 13 24.961 0.000 . 1 . . . A 72 LYS CG . 19002 1 745 . 1 1 62 62 LYS CD C 13 29.109 0.000 . 1 . . . A 72 LYS CD . 19002 1 746 . 1 1 62 62 LYS CE C 13 42.270 0.000 . 1 . . . A 72 LYS CE . 19002 1 747 . 1 1 62 62 LYS N N 15 121.214 0.000 . 1 . . . A 72 LYS N . 19002 1 748 . 1 1 63 63 ALA H H 1 8.188 0.000 . 1 . . . A 73 ALA H . 19002 1 749 . 1 1 63 63 ALA HA H 1 4.347 0.000 . 1 . . . A 73 ALA HA . 19002 1 750 . 1 1 63 63 ALA HB1 H 1 1.411 0.000 . 1 . . . A 73 ALA HB1 . 19002 1 751 . 1 1 63 63 ALA HB2 H 1 1.411 0.000 . 1 . . . A 73 ALA HB2 . 19002 1 752 . 1 1 63 63 ALA HB3 H 1 1.411 0.000 . 1 . . . A 73 ALA HB3 . 19002 1 753 . 1 1 63 63 ALA C C 13 178.009 0.000 . 1 . . . A 73 ALA C . 19002 1 754 . 1 1 63 63 ALA CA C 13 52.597 0.000 . 1 . . . A 73 ALA CA . 19002 1 755 . 1 1 63 63 ALA CB C 13 19.239 0.000 . 1 . . . A 73 ALA CB . 19002 1 756 . 1 1 63 63 ALA N N 15 124.187 0.000 . 1 . . . A 73 ALA N . 19002 1 757 . 1 1 64 64 THR H H 1 8.054 0.000 . 1 . . . A 74 THR H . 19002 1 758 . 1 1 64 64 THR HA H 1 4.339 0.000 . 1 . . . A 74 THR HA . 19002 1 759 . 1 1 64 64 THR HB H 1 4.260 0.000 . 1 . . . A 74 THR HB . 19002 1 760 . 1 1 64 64 THR HG21 H 1 1.235 0.000 . 1 . . . A 74 THR HG21 . 19002 1 761 . 1 1 64 64 THR HG22 H 1 1.235 0.000 . 1 . . . A 74 THR HG22 . 19002 1 762 . 1 1 64 64 THR HG23 H 1 1.235 0.000 . 1 . . . A 74 THR HG23 . 19002 1 763 . 1 1 64 64 THR C C 13 174.753 0.000 . 1 . . . A 74 THR C . 19002 1 764 . 1 1 64 64 THR CA C 13 62.046 0.000 . 1 . . . A 74 THR CA . 19002 1 765 . 1 1 64 64 THR CB C 13 69.779 0.000 . 1 . . . A 74 THR CB . 19002 1 766 . 1 1 64 64 THR CG2 C 13 21.760 0.000 . 1 . . . A 74 THR CG2 . 19002 1 767 . 1 1 64 64 THR N N 15 112.973 0.000 . 1 . . . A 74 THR N . 19002 1 768 . 1 1 65 65 ARG H H 1 8.296 0.000 . 1 . . . A 75 ARG H . 19002 1 769 . 1 1 65 65 ARG HA H 1 4.371 0.000 . 1 . . . A 75 ARG HA . 19002 1 770 . 1 1 65 65 ARG HB2 H 1 1.827 0.000 . 2 . . . A 75 ARG HB2 . 19002 1 771 . 1 1 65 65 ARG HB3 H 1 1.916 0.000 . 2 . . . A 75 ARG HB3 . 19002 1 772 . 1 1 65 65 ARG HG2 H 1 1.644 0.000 . 2 . . . A 75 ARG HG2 . 19002 1 773 . 1 1 65 65 ARG HG3 H 1 1.679 0.000 . 2 . . . A 75 ARG HG3 . 19002 1 774 . 1 1 65 65 ARG HD2 H 1 3.208 0.000 . 2 . . . A 75 ARG HD2 . 19002 1 775 . 1 1 65 65 ARG HD3 H 1 3.216 0.000 . 2 . . . A 75 ARG HD3 . 19002 1 776 . 1 1 65 65 ARG C C 13 176.411 0.000 . 1 . . . A 75 ARG C . 19002 1 777 . 1 1 65 65 ARG CA C 13 56.801 0.000 . 1 . . . A 75 ARG CA . 19002 1 778 . 1 1 65 65 ARG CB C 13 30.798 0.000 . 1 . . . A 75 ARG CB . 19002 1 779 . 1 1 65 65 ARG CG C 13 27.046 0.000 . 1 . . . A 75 ARG CG . 19002 1 780 . 1 1 65 65 ARG CD C 13 43.362 0.000 . 1 . . . A 75 ARG CD . 19002 1 781 . 1 1 65 65 ARG N N 15 123.112 0.000 . 1 . . . A 75 ARG N . 19002 1 782 . 1 1 66 66 ARG H H 1 8.360 0.000 . 1 . . . A 76 ARG H . 19002 1 783 . 1 1 66 66 ARG HA H 1 4.362 0.000 . 1 . . . A 76 ARG HA . 19002 1 784 . 1 1 66 66 ARG HB2 H 1 1.809 0.000 . 2 . . . A 76 ARG HB2 . 19002 1 785 . 1 1 66 66 ARG HB3 H 1 1.899 0.000 . 2 . . . A 76 ARG HB3 . 19002 1 786 . 1 1 66 66 ARG HG2 H 1 1.658 0.000 . 2 . . . A 76 ARG HG2 . 19002 1 787 . 1 1 66 66 ARG HG3 H 1 1.677 0.000 . 2 . . . A 76 ARG HG3 . 19002 1 788 . 1 1 66 66 ARG HD2 H 1 3.209 0.000 . 2 . . . A 76 ARG HD2 . 19002 1 789 . 1 1 66 66 ARG HD3 H 1 3.217 0.000 . 2 . . . A 76 ARG HD3 . 19002 1 790 . 1 1 66 66 ARG C C 13 176.411 0.000 . 1 . . . A 76 ARG C . 19002 1 791 . 1 1 66 66 ARG CA C 13 56.689 0.000 . 1 . . . A 76 ARG CA . 19002 1 792 . 1 1 66 66 ARG CB C 13 30.873 0.000 . 1 . . . A 76 ARG CB . 19002 1 793 . 1 1 66 66 ARG CG C 13 26.916 0.000 . 1 . . . A 76 ARG CG . 19002 1 794 . 1 1 66 66 ARG CD C 13 43.367 0.000 . 1 . . . A 76 ARG CD . 19002 1 795 . 1 1 66 66 ARG N N 15 121.977 0.000 . 1 . . . A 76 ARG N . 19002 1 796 . 1 1 67 67 SER H H 1 8.325 0.000 . 1 . . . A 77 SER H . 19002 1 797 . 1 1 67 67 SER HA H 1 4.483 0.000 . 1 . . . A 77 SER HA . 19002 1 798 . 1 1 67 67 SER HB2 H 1 3.889 0.000 . 2 . . . A 77 SER HB2 . 19002 1 799 . 1 1 67 67 SER HB3 H 1 3.938 0.000 . 2 . . . A 77 SER HB3 . 19002 1 800 . 1 1 67 67 SER C C 13 174.672 0.000 . 1 . . . A 77 SER C . 19002 1 801 . 1 1 67 67 SER CA C 13 58.497 0.000 . 1 . . . A 77 SER CA . 19002 1 802 . 1 1 67 67 SER CB C 13 63.839 0.000 . 1 . . . A 77 SER CB . 19002 1 803 . 1 1 67 67 SER N N 15 116.981 0.000 . 1 . . . A 77 SER N . 19002 1 804 . 1 1 68 68 ARG H H 1 8.421 0.000 . 1 . . . A 78 ARG H . 19002 1 805 . 1 1 68 68 ARG HA H 1 4.377 0.000 . 1 . . . A 78 ARG HA . 19002 1 806 . 1 1 68 68 ARG HB2 H 1 1.805 0.000 . 2 . . . A 78 ARG HB2 . 19002 1 807 . 1 1 68 68 ARG HB3 H 1 1.925 0.000 . 2 . . . A 78 ARG HB3 . 19002 1 808 . 1 1 68 68 ARG HG2 H 1 1.666 0.000 . 2 . . . A 78 ARG HG2 . 19002 1 809 . 1 1 68 68 ARG HG3 H 1 1.681 0.000 . 2 . . . A 78 ARG HG3 . 19002 1 810 . 1 1 68 68 ARG HD2 H 1 3.224 0.000 . 2 . . . A 78 ARG HD2 . 19002 1 811 . 1 1 68 68 ARG HD3 H 1 3.224 0.000 . 2 . . . A 78 ARG HD3 . 19002 1 812 . 1 1 68 68 ARG C C 13 176.492 0.000 . 1 . . . A 78 ARG C . 19002 1 813 . 1 1 68 68 ARG CA C 13 56.619 0.000 . 1 . . . A 78 ARG CA . 19002 1 814 . 1 1 68 68 ARG CB C 13 30.873 0.000 . 1 . . . A 78 ARG CB . 19002 1 815 . 1 1 68 68 ARG CG C 13 27.007 0.000 . 1 . . . A 78 ARG CG . 19002 1 816 . 1 1 68 68 ARG CD C 13 43.367 0.000 . 1 . . . A 78 ARG CD . 19002 1 817 . 1 1 68 68 ARG N N 15 123.324 0.000 . 1 . . . A 78 ARG N . 19002 1 818 . 1 1 69 69 LYS H H 1 8.300 0.000 . 1 . . . A 79 LYS H . 19002 1 819 . 1 1 69 69 LYS HA H 1 4.266 0.000 . 1 . . . A 79 LYS HA . 19002 1 820 . 1 1 69 69 LYS HB2 H 1 1.788 0.000 . 2 . . . A 79 LYS HB2 . 19002 1 821 . 1 1 69 69 LYS HB3 H 1 1.881 0.000 . 2 . . . A 79 LYS HB3 . 19002 1 822 . 1 1 69 69 LYS HG2 H 1 1.438 0.000 . 2 . . . A 79 LYS HG2 . 19002 1 823 . 1 1 69 69 LYS HG3 H 1 1.497 0.000 . 2 . . . A 79 LYS HG3 . 19002 1 824 . 1 1 69 69 LYS HD2 H 1 1.715 0.000 . 2 . . . A 79 LYS HD2 . 19002 1 825 . 1 1 69 69 LYS HD3 H 1 1.714 0.000 . 2 . . . A 79 LYS HD3 . 19002 1 826 . 1 1 69 69 LYS HE2 H 1 3.049 0.000 . 2 . . . A 79 LYS HE2 . 19002 1 827 . 1 1 69 69 LYS HE3 H 1 3.049 0.000 . 2 . . . A 79 LYS HE3 . 19002 1 828 . 1 1 69 69 LYS C C 13 176.472 0.000 . 1 . . . A 79 LYS C . 19002 1 829 . 1 1 69 69 LYS CA C 13 57.076 0.000 . 1 . . . A 79 LYS CA . 19002 1 830 . 1 1 69 69 LYS CB C 13 33.186 0.000 . 1 . . . A 79 LYS CB . 19002 1 831 . 1 1 69 69 LYS CG C 13 24.782 0.000 . 1 . . . A 79 LYS CG . 19002 1 832 . 1 1 69 69 LYS CD C 13 29.201 0.000 . 1 . . . A 79 LYS CD . 19002 1 833 . 1 1 69 69 LYS CE C 13 42.270 0.000 . 1 . . . A 79 LYS CE . 19002 1 834 . 1 1 69 69 LYS N N 15 122.352 0.000 . 1 . . . A 79 LYS N . 19002 1 835 . 1 1 70 70 ALA H H 1 8.269 0.000 . 1 . . . A 80 ALA H . 19002 1 836 . 1 1 70 70 ALA HA H 1 4.308 0.000 . 1 . . . A 80 ALA HA . 19002 1 837 . 1 1 70 70 ALA HB1 H 1 1.429 0.000 . 1 . . . A 80 ALA HB1 . 19002 1 838 . 1 1 70 70 ALA HB2 H 1 1.429 0.000 . 1 . . . A 80 ALA HB2 . 19002 1 839 . 1 1 70 70 ALA HB3 H 1 1.429 0.000 . 1 . . . A 80 ALA HB3 . 19002 1 840 . 1 1 70 70 ALA C C 13 177.787 0.000 . 1 . . . A 80 ALA C . 19002 1 841 . 1 1 70 70 ALA CA C 13 52.597 0.000 . 1 . . . A 80 ALA CA . 19002 1 842 . 1 1 70 70 ALA CB C 13 19.180 0.000 . 1 . . . A 80 ALA CB . 19002 1 843 . 1 1 70 70 ALA N N 15 124.816 0.000 . 1 . . . A 80 ALA N . 19002 1 844 . 1 1 71 71 GLU H H 1 8.283 0.000 . 1 . . . A 81 GLU H . 19002 1 845 . 1 1 71 71 GLU HA H 1 4.278 0.000 . 1 . . . A 81 GLU HA . 19002 1 846 . 1 1 71 71 GLU HB2 H 1 2.019 0.000 . 2 . . . A 81 GLU HB2 . 19002 1 847 . 1 1 71 71 GLU HB3 H 1 2.100 0.000 . 2 . . . A 81 GLU HB3 . 19002 1 848 . 1 1 71 71 GLU HG2 H 1 2.284 0.000 . 2 . . . A 81 GLU HG2 . 19002 1 849 . 1 1 71 71 GLU HG3 H 1 2.355 0.000 . 2 . . . A 81 GLU HG3 . 19002 1 850 . 1 1 71 71 GLU C C 13 176.614 0.000 . 1 . . . A 81 GLU C . 19002 1 851 . 1 1 71 71 GLU CA C 13 56.893 0.000 . 1 . . . A 81 GLU CA . 19002 1 852 . 1 1 71 71 GLU CB C 13 30.374 0.000 . 1 . . . A 81 GLU CB . 19002 1 853 . 1 1 71 71 GLU CG C 13 36.344 0.000 . 1 . . . A 81 GLU CG . 19002 1 854 . 1 1 71 71 GLU N N 15 120.243 0.000 . 1 . . . A 81 GLU N . 19002 1 855 . 1 1 72 72 ARG H H 1 8.256 0.000 . 1 . . . A 82 ARG H . 19002 1 856 . 1 1 72 72 ARG HA H 1 4.378 0.000 . 1 . . . A 82 ARG HA . 19002 1 857 . 1 1 72 72 ARG HB2 H 1 1.923 0.000 . 2 . . . A 82 ARG HB2 . 19002 1 858 . 1 1 72 72 ARG HB3 H 1 1.800 0.000 . 2 . . . A 82 ARG HB3 . 19002 1 859 . 1 1 72 72 ARG HG2 H 1 1.663 0.000 . 2 . . . A 82 ARG HG2 . 19002 1 860 . 1 1 72 72 ARG HG3 H 1 1.685 0.000 . 2 . . . A 82 ARG HG3 . 19002 1 861 . 1 1 72 72 ARG HD2 H 1 3.224 0.000 . 2 . . . A 82 ARG HD2 . 19002 1 862 . 1 1 72 72 ARG HD3 H 1 3.224 0.000 . 2 . . . A 82 ARG HD3 . 19002 1 863 . 1 1 72 72 ARG C C 13 175.946 0.000 . 1 . . . A 82 ARG C . 19002 1 864 . 1 1 72 72 ARG CA C 13 56.047 0.000 . 1 . . . A 82 ARG CA . 19002 1 865 . 1 1 72 72 ARG CB C 13 30.757 0.000 . 1 . . . A 82 ARG CB . 19002 1 866 . 1 1 72 72 ARG CG C 13 26.864 0.000 . 1 . . . A 82 ARG CG . 19002 1 867 . 1 1 72 72 ARG CD C 13 43.453 0.000 . 1 . . . A 82 ARG CD . 19002 1 868 . 1 1 72 72 ARG N N 15 121.743 0.000 . 1 . . . A 82 ARG N . 19002 1 869 . 1 1 73 73 ALA H H 1 8.241 0.000 . 1 . . . A 83 ALA H . 19002 1 870 . 1 1 73 73 ALA HA H 1 4.313 0.000 . 1 . . . A 83 ALA HA . 19002 1 871 . 1 1 73 73 ALA HB1 H 1 1.415 0.000 . 1 . . . A 83 ALA HB1 . 19002 1 872 . 1 1 73 73 ALA HB2 H 1 1.415 0.000 . 1 . . . A 83 ALA HB2 . 19002 1 873 . 1 1 73 73 ALA HB3 H 1 1.415 0.000 . 1 . . . A 83 ALA HB3 . 19002 1 874 . 1 1 73 73 ALA C C 13 177.322 0.000 . 1 . . . A 83 ALA C . 19002 1 875 . 1 1 73 73 ALA CA C 13 52.872 0.000 . 1 . . . A 83 ALA CA . 19002 1 876 . 1 1 73 73 ALA CB C 13 19.239 0.000 . 1 . . . A 83 ALA CB . 19002 1 877 . 1 1 73 73 ALA N N 15 125.049 0.000 . 1 . . . A 83 ALA N . 19002 1 878 . 1 1 74 74 LYS H H 1 8.186 0.000 . 1 . . . A 84 LYS H . 19002 1 879 . 1 1 74 74 LYS HA H 1 4.286 0.000 . 1 . . . A 84 LYS HA . 19002 1 880 . 1 1 74 74 LYS HB2 H 1 1.794 0.000 . 2 . . . A 84 LYS HB2 . 19002 1 881 . 1 1 74 74 LYS HB3 H 1 1.877 0.000 . 2 . . . A 84 LYS HB3 . 19002 1 882 . 1 1 74 74 LYS HG2 H 1 1.460 0.000 . 2 . . . A 84 LYS HG2 . 19002 1 883 . 1 1 74 74 LYS HG3 H 1 1.497 0.000 . 2 . . . A 84 LYS HG3 . 19002 1 884 . 1 1 74 74 LYS HD2 H 1 1.663 0.000 . 2 . . . A 84 LYS HD2 . 19002 1 885 . 1 1 74 74 LYS HD3 H 1 1.685 0.000 . 2 . . . A 84 LYS HD3 . 19002 1 886 . 1 1 74 74 LYS HE2 H 1 3.038 0.000 . 2 . . . A 84 LYS HE2 . 19002 1 887 . 1 1 74 74 LYS HE3 H 1 3.033 0.000 . 2 . . . A 84 LYS HE3 . 19002 1 888 . 1 1 74 74 LYS C C 13 175.460 0.000 . 1 . . . A 84 LYS C . 19002 1 889 . 1 1 74 74 LYS CA C 13 56.316 0.000 . 1 . . . A 84 LYS CA . 19002 1 890 . 1 1 74 74 LYS CB C 13 32.923 0.000 . 1 . . . A 84 LYS CB . 19002 1 891 . 1 1 74 74 LYS CG C 13 24.768 0.000 . 1 . . . A 84 LYS CG . 19002 1 892 . 1 1 74 74 LYS CD C 13 29.052 0.000 . 1 . . . A 84 LYS CD . 19002 1 893 . 1 1 74 74 LYS CE C 13 42.268 0.000 . 1 . . . A 84 LYS CE . 19002 1 894 . 1 1 74 74 LYS N N 15 121.088 0.000 . 1 . . . A 84 LYS N . 19002 1 895 . 1 1 75 75 LEU H H 1 7.829 0.000 . 1 . . . A 85 LEU H . 19002 1 896 . 1 1 75 75 LEU HA H 1 4.346 0.000 . 1 . . . A 85 LEU HA . 19002 1 897 . 1 1 75 75 LEU HB2 H 1 1.681 0.000 . 2 . . . A 85 LEU HB2 . 19002 1 898 . 1 1 75 75 LEU HB3 H 1 1.773 0.000 . 2 . . . A 85 LEU HB3 . 19002 1 899 . 1 1 75 75 LEU HG H 1 0.894 0.000 . 1 . . . A 85 LEU HG . 19002 1 900 . 1 1 75 75 LEU HD11 H 1 0.945 0.000 . 2 . . . A 85 LEU HD11 . 19002 1 901 . 1 1 75 75 LEU HD12 H 1 0.945 0.000 . 2 . . . A 85 LEU HD12 . 19002 1 902 . 1 1 75 75 LEU HD13 H 1 0.945 0.000 . 2 . . . A 85 LEU HD13 . 19002 1 903 . 1 1 75 75 LEU HD21 H 1 0.891 0.000 . 2 . . . A 85 LEU HD21 . 19002 1 904 . 1 1 75 75 LEU HD22 H 1 0.891 0.000 . 2 . . . A 85 LEU HD22 . 19002 1 905 . 1 1 75 75 LEU HD23 H 1 0.891 0.000 . 2 . . . A 85 LEU HD23 . 19002 1 906 . 1 1 75 75 LEU C C 13 182.419 0.000 . 1 . . . A 85 LEU C . 19002 1 907 . 1 1 75 75 LEU CA C 13 56.286 0.000 . 1 . . . A 85 LEU CA . 19002 1 908 . 1 1 75 75 LEU CB C 13 42.900 0.000 . 1 . . . A 85 LEU CB . 19002 1 909 . 1 1 75 75 LEU CG C 13 26.670 0.000 . 1 . . . A 85 LEU CG . 19002 1 910 . 1 1 75 75 LEU CD1 C 13 24.677 0.000 . 1 . . . A 85 LEU CD1 . 19002 1 911 . 1 1 75 75 LEU CD2 C 13 23.583 0.000 . 1 . . . A 85 LEU CD2 . 19002 1 912 . 1 1 75 75 LEU N N 15 129.503 0.000 . 1 . . . A 85 LEU N . 19002 1 stop_ save_