data_7099 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 7099 _Entry.Title ; NMR Solution Structure of VP9 from White Spot Syndrome Virus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2006-05-05 _Entry.Accession_date 2006-05-09 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Y. Liu . . . 7099 2 J. Song . X. . 7099 3 C. Hew . L. . 7099 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 7099 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 240 7099 '15N chemical shifts' 80 7099 '1H chemical shifts' 507 7099 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 . . 2006-09-22 . original author 'original release' 7099 1 . . 2008-07-16 . update BMRB 'update entry citation' 7099 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2GJI 'BMRB Entry Tracking System' 7099 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 7099 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16956937 _Citation.Full_citation . _Citation.Title ; Identification of a Novel Nonstructural Protein VP9 from White Spot Syndrome Virus: Its Structure Reveals a Ferredoxin Fold with Specific Metal Binding Sites. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full . _Citation.Journal_volume 80 _Citation.Journal_issue 21 _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 10419 _Citation.Page_last 10427 _Citation.Year 2006 _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 Y. Liu . . . 7099 1 2 J. Wu . L. . 7099 1 3 J. Song . X. . 7099 1 4 J. Sivaraman . . . 7099 1 5 C. Hew . L. . 7099 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'Ferredoxin fold' 7099 1 'Metal binding' 7099 1 WSSV 7099 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_wsv230 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_wsv230 _Assembly.Entry_ID 7099 _Assembly.ID 1 _Assembly.Name wsv230 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 7099 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 wsv230 1 $wsv230 . . . native . . . . . 7099 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 2GJI . . . . . . 7099 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID wsv230 abbreviation 7099 1 wsv230 system 7099 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_wsv230 _Entity.Sf_category entity _Entity.Sf_framecode wsv230 _Entity.Entry_ID 7099 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name wsv230 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSHMATFQTDADFLLVGDDT SRYEEVMKTFDTVEAVRKSD LDDRVYMVCLKQGSTFVLNG GIEELRLLTGDSTLEIQPMI VPTTE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 85 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2GJ2 . "Crystal Structure Of Vp9 From White Spot Syndrome Virus" . . . . . 100.00 85 100.00 100.00 1.33e-53 . . . . 7099 1 2 no PDB 2GJI . "Nmr Solution Structure Of Vp9 From White Spot Syndrome Virus" . . . . . 100.00 85 100.00 100.00 1.33e-53 . . . . 7099 1 3 no GB AAK77784 . "ORF115 [shrimp white spot syndrome virus]" . . . . . 96.47 82 100.00 100.00 1.00e-50 . . . . 7099 1 4 no GB AAL33234 . "wsv230 [Shrimp white spot syndrome virus]" . . . . . 96.47 82 100.00 100.00 1.00e-50 . . . . 7099 1 5 no GB AAL89153 . "WSSV285 [shrimp white spot syndrome virus]" . . . . . 96.47 82 100.00 100.00 1.00e-50 . . . . 7099 1 6 no GB ADR71658 . "ICP11 [White spot syndrome virus]" . . . . . 72.94 62 98.39 98.39 6.98e-35 . . . . 7099 1 7 no GB AFX59607 . "wsv230 [White spot syndrome virus]" . . . . . 96.47 82 100.00 100.00 1.00e-50 . . . . 7099 1 8 no REF NP_477752 . "wsv230 [Shrimp white spot syndrome virus]" . . . . . 96.47 82 100.00 100.00 1.00e-50 . . . . 7099 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID wsv230 abbreviation 7099 1 wsv230 common 7099 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 -2 GLY . 7099 1 2 -1 SER . 7099 1 3 0 HIS . 7099 1 4 1 MET . 7099 1 5 2 ALA . 7099 1 6 3 THR . 7099 1 7 4 PHE . 7099 1 8 5 GLN . 7099 1 9 6 THR . 7099 1 10 7 ASP . 7099 1 11 8 ALA . 7099 1 12 9 ASP . 7099 1 13 10 PHE . 7099 1 14 11 LEU . 7099 1 15 12 LEU . 7099 1 16 13 VAL . 7099 1 17 14 GLY . 7099 1 18 15 ASP . 7099 1 19 16 ASP . 7099 1 20 17 THR . 7099 1 21 18 SER . 7099 1 22 19 ARG . 7099 1 23 20 TYR . 7099 1 24 21 GLU . 7099 1 25 22 GLU . 7099 1 26 23 VAL . 7099 1 27 24 MET . 7099 1 28 25 LYS . 7099 1 29 26 THR . 7099 1 30 27 PHE . 7099 1 31 28 ASP . 7099 1 32 29 THR . 7099 1 33 30 VAL . 7099 1 34 31 GLU . 7099 1 35 32 ALA . 7099 1 36 33 VAL . 7099 1 37 34 ARG . 7099 1 38 35 LYS . 7099 1 39 36 SER . 7099 1 40 37 ASP . 7099 1 41 38 LEU . 7099 1 42 39 ASP . 7099 1 43 40 ASP . 7099 1 44 41 ARG . 7099 1 45 42 VAL . 7099 1 46 43 TYR . 7099 1 47 44 MET . 7099 1 48 45 VAL . 7099 1 49 46 CYS . 7099 1 50 47 LEU . 7099 1 51 48 LYS . 7099 1 52 49 GLN . 7099 1 53 50 GLY . 7099 1 54 51 SER . 7099 1 55 52 THR . 7099 1 56 53 PHE . 7099 1 57 54 VAL . 7099 1 58 55 LEU . 7099 1 59 56 ASN . 7099 1 60 57 GLY . 7099 1 61 58 GLY . 7099 1 62 59 ILE . 7099 1 63 60 GLU . 7099 1 64 61 GLU . 7099 1 65 62 LEU . 7099 1 66 63 ARG . 7099 1 67 64 LEU . 7099 1 68 65 LEU . 7099 1 69 66 THR . 7099 1 70 67 GLY . 7099 1 71 68 ASP . 7099 1 72 69 SER . 7099 1 73 70 THR . 7099 1 74 71 LEU . 7099 1 75 72 GLU . 7099 1 76 73 ILE . 7099 1 77 74 GLN . 7099 1 78 75 PRO . 7099 1 79 76 MET . 7099 1 80 77 ILE . 7099 1 81 78 VAL . 7099 1 82 79 PRO . 7099 1 83 80 THR . 7099 1 84 81 THR . 7099 1 85 82 GLU . 7099 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 7099 1 . SER 2 2 7099 1 . HIS 3 3 7099 1 . MET 4 4 7099 1 . ALA 5 5 7099 1 . THR 6 6 7099 1 . PHE 7 7 7099 1 . GLN 8 8 7099 1 . THR 9 9 7099 1 . ASP 10 10 7099 1 . ALA 11 11 7099 1 . ASP 12 12 7099 1 . PHE 13 13 7099 1 . LEU 14 14 7099 1 . LEU 15 15 7099 1 . VAL 16 16 7099 1 . GLY 17 17 7099 1 . ASP 18 18 7099 1 . ASP 19 19 7099 1 . THR 20 20 7099 1 . SER 21 21 7099 1 . ARG 22 22 7099 1 . TYR 23 23 7099 1 . GLU 24 24 7099 1 . GLU 25 25 7099 1 . VAL 26 26 7099 1 . MET 27 27 7099 1 . LYS 28 28 7099 1 . THR 29 29 7099 1 . PHE 30 30 7099 1 . ASP 31 31 7099 1 . THR 32 32 7099 1 . VAL 33 33 7099 1 . GLU 34 34 7099 1 . ALA 35 35 7099 1 . VAL 36 36 7099 1 . ARG 37 37 7099 1 . LYS 38 38 7099 1 . SER 39 39 7099 1 . ASP 40 40 7099 1 . LEU 41 41 7099 1 . ASP 42 42 7099 1 . ASP 43 43 7099 1 . ARG 44 44 7099 1 . VAL 45 45 7099 1 . TYR 46 46 7099 1 . MET 47 47 7099 1 . VAL 48 48 7099 1 . CYS 49 49 7099 1 . LEU 50 50 7099 1 . LYS 51 51 7099 1 . GLN 52 52 7099 1 . GLY 53 53 7099 1 . SER 54 54 7099 1 . THR 55 55 7099 1 . PHE 56 56 7099 1 . VAL 57 57 7099 1 . LEU 58 58 7099 1 . ASN 59 59 7099 1 . GLY 60 60 7099 1 . GLY 61 61 7099 1 . ILE 62 62 7099 1 . GLU 63 63 7099 1 . GLU 64 64 7099 1 . LEU 65 65 7099 1 . ARG 66 66 7099 1 . LEU 67 67 7099 1 . LEU 68 68 7099 1 . THR 69 69 7099 1 . GLY 70 70 7099 1 . ASP 71 71 7099 1 . SER 72 72 7099 1 . THR 73 73 7099 1 . LEU 74 74 7099 1 . GLU 75 75 7099 1 . ILE 76 76 7099 1 . GLN 77 77 7099 1 . PRO 78 78 7099 1 . MET 79 79 7099 1 . ILE 80 80 7099 1 . VAL 81 81 7099 1 . PRO 82 82 7099 1 . THR 83 83 7099 1 . THR 84 84 7099 1 . GLU 85 85 7099 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 7099 _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 $wsv230 . 342409 . . 'Whispovirus White spot syndrome virus 1' 'SHRIMP WHITE SPOT SYNDROME VIRUS' . . Viruses . Whispovirus 'White spot syndrome virus 1' . . . . . . . . . . . . . . . . . . . . . 7099 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 7099 _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 $wsv230 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli . . . . . . . . . . . . . . . . . . . . . . . 7099 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 7099 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 wsv230 . . . 1 $wsv230 . . 3 . . mM . . . . 7099 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 7099 1 3 H2O . . . . . . . 90 . . % . . . . 7099 1 4 D2O . . . . . . . 10 . . % . . . . 7099 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 7099 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 20 . mM 7099 1 pH 6.72 . pH 7099 1 pressure 1 . atm 7099 1 temperature 298 . K 7099 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 7099 _Software.ID 1 _Software.Name NMRPipe _Software.Version 2004 _Software.Details 'Delaglio, F.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 7099 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 7099 _Software.ID 2 _Software.Name CYANA _Software.Version 2.1 _Software.Details 'Guntert, P.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 7099 2 'structure solution' 7099 2 stop_ save_ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 7099 _Software.ID 3 _Software.Name NMRView _Software.Version 5.2.2 _Software.Details 'Johnson, B.A.' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 7099 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 7099 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 7099 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker DRX . 500 . . . 7099 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 7099 _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 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7099 1 2 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7099 1 3 HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7099 1 4 HNCACB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7099 1 5 CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7099 1 6 HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7099 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 7099 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 7099 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 7099 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 7099 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HNCACB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 7099 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name CBCA(CO)NH _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 7099 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 7099 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 7099 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 external indirect 1.0 . . . . . . . . . 7099 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 7099 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 7099 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 7099 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 4 4 MET HA H 1 4.640 0.000 . . . . . . . . . . 7099 1 2 . 1 1 4 4 MET CA C 13 55.245 0.000 . . . . . . . . . . 7099 1 3 . 1 1 4 4 MET CB C 13 32.578 0.000 . . . . . . . . . . 7099 1 4 . 1 1 4 4 MET N N 15 121.406 0.000 . . . . . . . . . . 7099 1 5 . 1 1 5 5 ALA H H 1 8.222 0.000 . . . . . . . . . . 7099 1 6 . 1 1 5 5 ALA HA H 1 4.321 0.000 . . . . . . . . . . 7099 1 7 . 1 1 5 5 ALA HB1 H 1 1.418 0.000 . . . . . . . . . . 7099 1 8 . 1 1 5 5 ALA HB2 H 1 1.418 0.000 . . . . . . . . . . 7099 1 9 . 1 1 5 5 ALA HB3 H 1 1.418 0.000 . . . . . . . . . . 7099 1 10 . 1 1 5 5 ALA CA C 13 52.378 0.000 . . . . . . . . . . 7099 1 11 . 1 1 5 5 ALA CB C 13 19.453 0.000 . . . . . . . . . . 7099 1 12 . 1 1 5 5 ALA N N 15 124.964 0.000 . . . . . . . . . . 7099 1 13 . 1 1 6 6 THR H H 1 7.763 0.000 . . . . . . . . . . 7099 1 14 . 1 1 6 6 THR HA H 1 4.184 0.000 . . . . . . . . . . 7099 1 15 . 1 1 6 6 THR HB H 1 3.897 0.000 . . . . . . . . . . 7099 1 16 . 1 1 6 6 THR HG21 H 1 1.335 0.000 . . . . . . . . . . 7099 1 17 . 1 1 6 6 THR HG22 H 1 1.335 0.000 . . . . . . . . . . 7099 1 18 . 1 1 6 6 THR HG23 H 1 1.335 0.000 . . . . . . . . . . 7099 1 19 . 1 1 6 6 THR CA C 13 62.464 0.000 . . . . . . . . . . 7099 1 20 . 1 1 6 6 THR CB C 13 70.474 0.000 . . . . . . . . . . 7099 1 21 . 1 1 6 6 THR CG2 C 13 22.313 0.000 . . . . . . . . . . 7099 1 22 . 1 1 6 6 THR N N 15 112.565 0.000 . . . . . . . . . . 7099 1 23 . 1 1 7 7 PHE H H 1 7.995 0.000 . . . . . . . . . . 7099 1 24 . 1 1 7 7 PHE HA H 1 4.797 0.000 . . . . . . . . . . 7099 1 25 . 1 1 7 7 PHE HB2 H 1 2.626 0.000 . . . . . . . . . . 7099 1 26 . 1 1 7 7 PHE HB3 H 1 3.118 0.000 . . . . . . . . . . 7099 1 27 . 1 1 7 7 PHE CA C 13 57.018 0.000 . . . . . . . . . . 7099 1 28 . 1 1 7 7 PHE CB C 13 42.267 0.000 . . . . . . . . . . 7099 1 29 . 1 1 7 7 PHE N N 15 124.282 0.000 . . . . . . . . . . 7099 1 30 . 1 1 8 8 GLN H H 1 7.511 0.000 . . . . . . . . . . 7099 1 31 . 1 1 8 8 GLN HA H 1 5.208 0.000 . . . . . . . . . . 7099 1 32 . 1 1 8 8 GLN HB2 H 1 1.698 0.000 . . . . . . . . . . 7099 1 33 . 1 1 8 8 GLN HB3 H 1 1.619 0.000 . . . . . . . . . . 7099 1 34 . 1 1 8 8 GLN HG2 H 1 1.913 0.000 . . . . . . . . . . 7099 1 35 . 1 1 8 8 GLN HG3 H 1 1.913 0.000 . . . . . . . . . . 7099 1 36 . 1 1 8 8 GLN CA C 13 53.372 0.000 . . . . . . . . . . 7099 1 37 . 1 1 8 8 GLN CB C 13 32.072 0.000 . . . . . . . . . . 7099 1 38 . 1 1 8 8 GLN CG C 13 33.000 0.000 . . . . . . . . . . 7099 1 39 . 1 1 8 8 GLN N N 15 124.876 0.000 . . . . . . . . . . 7099 1 40 . 1 1 9 9 THR H H 1 8.523 0.000 . . . . . . . . . . 7099 1 41 . 1 1 9 9 THR HA H 1 4.445 0.000 . . . . . . . . . . 7099 1 42 . 1 1 9 9 THR HB H 1 3.784 0.000 . . . . . . . . . . 7099 1 43 . 1 1 9 9 THR HG21 H 1 1.170 0.000 . . . . . . . . . . 7099 1 44 . 1 1 9 9 THR HG22 H 1 1.170 0.000 . . . . . . . . . . 7099 1 45 . 1 1 9 9 THR HG23 H 1 1.170 0.000 . . . . . . . . . . 7099 1 46 . 1 1 9 9 THR CA C 13 60.687 0.000 . . . . . . . . . . 7099 1 47 . 1 1 9 9 THR CB C 13 69.448 0.000 . . . . . . . . . . 7099 1 48 . 1 1 9 9 THR CG2 C 13 21.111 0.000 . . . . . . . . . . 7099 1 49 . 1 1 9 9 THR N N 15 115.093 0.000 . . . . . . . . . . 7099 1 50 . 1 1 10 10 ASP H H 1 8.023 0.000 . . . . . . . . . . 7099 1 51 . 1 1 10 10 ASP HA H 1 4.757 0.000 . . . . . . . . . . 7099 1 52 . 1 1 10 10 ASP HB2 H 1 2.509 0.000 . . . . . . . . . . 7099 1 53 . 1 1 10 10 ASP HB3 H 1 2.858 0.000 . . . . . . . . . . 7099 1 54 . 1 1 10 10 ASP CA C 13 52.538 0.000 . . . . . . . . . . 7099 1 55 . 1 1 10 10 ASP CB C 13 40.924 0.000 . . . . . . . . . . 7099 1 56 . 1 1 10 10 ASP N N 15 125.457 0.000 . . . . . . . . . . 7099 1 57 . 1 1 11 11 ALA H H 1 8.239 0.000 . . . . . . . . . . 7099 1 58 . 1 1 11 11 ALA HA H 1 4.737 0.000 . . . . . . . . . . 7099 1 59 . 1 1 11 11 ALA HB1 H 1 1.410 0.000 . . . . . . . . . . 7099 1 60 . 1 1 11 11 ALA HB2 H 1 1.410 0.000 . . . . . . . . . . 7099 1 61 . 1 1 11 11 ALA HB3 H 1 1.410 0.000 . . . . . . . . . . 7099 1 62 . 1 1 11 11 ALA CA C 13 50.386 0.000 . . . . . . . . . . 7099 1 63 . 1 1 11 11 ALA CB C 13 22.396 0.000 . . . . . . . . . . 7099 1 64 . 1 1 11 11 ALA N N 15 126.268 0.000 . . . . . . . . . . 7099 1 65 . 1 1 12 12 ASP H H 1 7.682 0.000 . . . . . . . . . . 7099 1 66 . 1 1 12 12 ASP HA H 1 4.461 0.000 . . . . . . . . . . 7099 1 67 . 1 1 12 12 ASP HB2 H 1 2.441 0.000 . . . . . . . . . . 7099 1 68 . 1 1 12 12 ASP HB3 H 1 2.901 0.000 . . . . . . . . . . 7099 1 69 . 1 1 12 12 ASP CA C 13 55.432 0.000 . . . . . . . . . . 7099 1 70 . 1 1 12 12 ASP CB C 13 41.192 0.000 . . . . . . . . . . 7099 1 71 . 1 1 12 12 ASP N N 15 119.061 0.000 . . . . . . . . . . 7099 1 72 . 1 1 13 13 PHE H H 1 7.765 0.000 . . . . . . . . . . 7099 1 73 . 1 1 13 13 PHE HA H 1 5.022 0.000 . . . . . . . . . . 7099 1 74 . 1 1 13 13 PHE HB2 H 1 3.126 0.000 . . . . . . . . . . 7099 1 75 . 1 1 13 13 PHE HB3 H 1 2.977 0.000 . . . . . . . . . . 7099 1 76 . 1 1 13 13 PHE HD1 H 1 7.195 0.000 . . . . . . . . . . 7099 1 77 . 1 1 13 13 PHE HE1 H 1 6.354 0.000 . . . . . . . . . . 7099 1 78 . 1 1 13 13 PHE CA C 13 55.633 0.000 . . . . . . . . . . 7099 1 79 . 1 1 13 13 PHE CB C 13 40.847 0.000 . . . . . . . . . . 7099 1 80 . 1 1 13 13 PHE N N 15 115.068 0.000 . . . . . . . . . . 7099 1 81 . 1 1 14 14 LEU H H 1 8.932 0.000 . . . . . . . . . . 7099 1 82 . 1 1 14 14 LEU HA H 1 5.320 0.000 . . . . . . . . . . 7099 1 83 . 1 1 14 14 LEU HB2 H 1 1.244 0.000 . . . . . . . . . . 7099 1 84 . 1 1 14 14 LEU HB3 H 1 1.716 0.000 . . . . . . . . . . 7099 1 85 . 1 1 14 14 LEU HG H 1 1.495 0.000 . . . . . . . . . . 7099 1 86 . 1 1 14 14 LEU HD11 H 1 0.776 0.000 . . . . . . . . . . 7099 1 87 . 1 1 14 14 LEU HD12 H 1 0.776 0.000 . . . . . . . . . . 7099 1 88 . 1 1 14 14 LEU HD13 H 1 0.776 0.000 . . . . . . . . . . 7099 1 89 . 1 1 14 14 LEU HD21 H 1 0.718 0.000 . . . . . . . . . . 7099 1 90 . 1 1 14 14 LEU HD22 H 1 0.718 0.000 . . . . . . . . . . 7099 1 91 . 1 1 14 14 LEU HD23 H 1 0.718 0.000 . . . . . . . . . . 7099 1 92 . 1 1 14 14 LEU CA C 13 52.849 0.000 . . . . . . . . . . 7099 1 93 . 1 1 14 14 LEU CB C 13 44.089 0.000 . . . . . . . . . . 7099 1 94 . 1 1 14 14 LEU CG C 13 26.869 0.000 . . . . . . . . . . 7099 1 95 . 1 1 14 14 LEU CD1 C 13 25.167 0.000 . . . . . . . . . . 7099 1 96 . 1 1 14 14 LEU CD2 C 13 23.454 0.000 . . . . . . . . . . 7099 1 97 . 1 1 14 14 LEU N N 15 117.274 0.000 . . . . . . . . . . 7099 1 98 . 1 1 15 15 LEU H H 1 9.129 0.000 . . . . . . . . . . 7099 1 99 . 1 1 15 15 LEU HA H 1 4.973 0.000 . . . . . . . . . . 7099 1 100 . 1 1 15 15 LEU HB2 H 1 1.086 0.000 . . . . . . . . . . 7099 1 101 . 1 1 15 15 LEU HB3 H 1 1.537 0.000 . . . . . . . . . . 7099 1 102 . 1 1 15 15 LEU HG H 1 1.410 0.000 . . . . . . . . . . 7099 1 103 . 1 1 15 15 LEU HD11 H 1 0.595 0.000 . . . . . . . . . . 7099 1 104 . 1 1 15 15 LEU HD12 H 1 0.595 0.000 . . . . . . . . . . 7099 1 105 . 1 1 15 15 LEU HD13 H 1 0.595 0.000 . . . . . . . . . . 7099 1 106 . 1 1 15 15 LEU HD21 H 1 0.402 0.000 . . . . . . . . . . 7099 1 107 . 1 1 15 15 LEU HD22 H 1 0.402 0.000 . . . . . . . . . . 7099 1 108 . 1 1 15 15 LEU HD23 H 1 0.402 0.000 . . . . . . . . . . 7099 1 109 . 1 1 15 15 LEU CA C 13 53.272 0.000 . . . . . . . . . . 7099 1 110 . 1 1 15 15 LEU CB C 13 45.310 0.000 . . . . . . . . . . 7099 1 111 . 1 1 15 15 LEU CG C 13 26.368 0.000 . . . . . . . . . . 7099 1 112 . 1 1 15 15 LEU CD1 C 13 24.526 0.000 . . . . . . . . . . 7099 1 113 . 1 1 15 15 LEU CD2 C 13 25.194 0.000 . . . . . . . . . . 7099 1 114 . 1 1 15 15 LEU N N 15 121.712 0.000 . . . . . . . . . . 7099 1 115 . 1 1 16 16 VAL H H 1 8.494 0.000 . . . . . . . . . . 7099 1 116 . 1 1 16 16 VAL HA H 1 5.446 0.000 . . . . . . . . . . 7099 1 117 . 1 1 16 16 VAL HB H 1 1.822 0.000 . . . . . . . . . . 7099 1 118 . 1 1 16 16 VAL HG11 H 1 0.766 0.000 . . . . . . . . . . 7099 1 119 . 1 1 16 16 VAL HG12 H 1 0.766 0.000 . . . . . . . . . . 7099 1 120 . 1 1 16 16 VAL HG13 H 1 0.766 0.000 . . . . . . . . . . 7099 1 121 . 1 1 16 16 VAL HG21 H 1 0.803 0.000 . . . . . . . . . . 7099 1 122 . 1 1 16 16 VAL HG22 H 1 0.803 0.000 . . . . . . . . . . 7099 1 123 . 1 1 16 16 VAL HG23 H 1 0.803 0.000 . . . . . . . . . . 7099 1 124 . 1 1 16 16 VAL CA C 13 59.815 0.000 . . . . . . . . . . 7099 1 125 . 1 1 16 16 VAL CB C 13 35.367 0.000 . . . . . . . . . . 7099 1 126 . 1 1 16 16 VAL CG1 C 13 20.942 0.000 . . . . . . . . . . 7099 1 127 . 1 1 16 16 VAL CG2 C 13 20.881 0.000 . . . . . . . . . . 7099 1 128 . 1 1 16 16 VAL N N 15 121.571 0.000 . . . . . . . . . . 7099 1 129 . 1 1 17 17 GLY H H 1 8.566 0.000 . . . . . . . . . . 7099 1 130 . 1 1 17 17 GLY HA2 H 1 3.971 0.000 . . . . . . . . . . 7099 1 131 . 1 1 17 17 GLY HA3 H 1 4.137 0.000 . . . . . . . . . . 7099 1 132 . 1 1 17 17 GLY CA C 13 45.953 0.000 . . . . . . . . . . 7099 1 133 . 1 1 17 17 GLY N N 15 114.659 0.000 . . . . . . . . . . 7099 1 134 . 1 1 18 18 ASP H H 1 8.351 0.000 . . . . . . . . . . 7099 1 135 . 1 1 18 18 ASP HA H 1 4.540 0.000 . . . . . . . . . . 7099 1 136 . 1 1 18 18 ASP HB2 H 1 2.530 0.000 . . . . . . . . . . 7099 1 137 . 1 1 18 18 ASP HB3 H 1 2.650 0.000 . . . . . . . . . . 7099 1 138 . 1 1 18 18 ASP CA C 13 55.370 0.000 . . . . . . . . . . 7099 1 139 . 1 1 18 18 ASP CB C 13 41.618 0.000 . . . . . . . . . . 7099 1 140 . 1 1 18 18 ASP N N 15 114.909 0.000 . . . . . . . . . . 7099 1 141 . 1 1 19 19 ASP H H 1 8.010 0.000 . . . . . . . . . . 7099 1 142 . 1 1 19 19 ASP HA H 1 4.789 0.000 . . . . . . . . . . 7099 1 143 . 1 1 19 19 ASP HB2 H 1 2.379 0.000 . . . . . . . . . . 7099 1 144 . 1 1 19 19 ASP HB3 H 1 2.512 0.000 . . . . . . . . . . 7099 1 145 . 1 1 19 19 ASP CA C 13 52.425 0.000 . . . . . . . . . . 7099 1 146 . 1 1 19 19 ASP CB C 13 40.612 0.000 . . . . . . . . . . 7099 1 147 . 1 1 19 19 ASP N N 15 119.233 0.000 . . . . . . . . . . 7099 1 148 . 1 1 20 20 THR H H 1 7.947 0.000 . . . . . . . . . . 7099 1 149 . 1 1 20 20 THR HA H 1 4.440 0.000 . . . . . . . . . . 7099 1 150 . 1 1 20 20 THR HB H 1 3.783 0.000 . . . . . . . . . . 7099 1 151 . 1 1 20 20 THR HG21 H 1 1.180 0.000 . . . . . . . . . . 7099 1 152 . 1 1 20 20 THR HG22 H 1 1.180 0.000 . . . . . . . . . . 7099 1 153 . 1 1 20 20 THR HG23 H 1 1.180 0.000 . . . . . . . . . . 7099 1 154 . 1 1 20 20 THR CA C 13 60.562 0.000 . . . . . . . . . . 7099 1 155 . 1 1 20 20 THR CB C 13 70.216 0.000 . . . . . . . . . . 7099 1 156 . 1 1 20 20 THR CG2 C 13 21.138 0.000 . . . . . . . . . . 7099 1 157 . 1 1 20 20 THR N N 15 112.866 0.000 . . . . . . . . . . 7099 1 158 . 1 1 21 21 SER H H 1 7.679 0.000 . . . . . . . . . . 7099 1 159 . 1 1 21 21 SER HA H 1 3.890 0.000 . . . . . . . . . . 7099 1 160 . 1 1 21 21 SER CA C 13 62.099 0.000 . . . . . . . . . . 7099 1 161 . 1 1 21 21 SER CB C 13 63.054 0.000 . . . . . . . . . . 7099 1 162 . 1 1 21 21 SER N N 15 118.028 0.000 . . . . . . . . . . 7099 1 163 . 1 1 22 22 ARG H H 1 9.233 0.000 . . . . . . . . . . 7099 1 164 . 1 1 22 22 ARG HA H 1 4.784 0.000 . . . . . . . . . . 7099 1 165 . 1 1 22 22 ARG HB2 H 1 2.143 0.000 . . . . . . . . . . 7099 1 166 . 1 1 22 22 ARG HB3 H 1 1.595 0.000 . . . . . . . . . . 7099 1 167 . 1 1 22 22 ARG HG2 H 1 1.510 0.000 . . . . . . . . . . 7099 1 168 . 1 1 22 22 ARG HG3 H 1 1.660 0.000 . . . . . . . . . . 7099 1 169 . 1 1 22 22 ARG HD2 H 1 3.088 0.000 . . . . . . . . . . 7099 1 170 . 1 1 22 22 ARG HD3 H 1 3.088 0.000 . . . . . . . . . . 7099 1 171 . 1 1 22 22 ARG CA C 13 55.469 0.000 . . . . . . . . . . 7099 1 172 . 1 1 22 22 ARG CB C 13 30.370 0.000 . . . . . . . . . . 7099 1 173 . 1 1 22 22 ARG CG C 13 27.625 0.000 . . . . . . . . . . 7099 1 174 . 1 1 22 22 ARG CD C 13 43.094 0.000 . . . . . . . . . . 7099 1 175 . 1 1 22 22 ARG N N 15 119.613 0.000 . . . . . . . . . . 7099 1 176 . 1 1 23 23 TYR H H 1 7.478 0.000 . . . . . . . . . . 7099 1 177 . 1 1 23 23 TYR HA H 1 3.818 0.000 . . . . . . . . . . 7099 1 178 . 1 1 23 23 TYR HB2 H 1 2.137 0.000 . . . . . . . . . . 7099 1 179 . 1 1 23 23 TYR HB3 H 1 2.378 0.000 . . . . . . . . . . 7099 1 180 . 1 1 23 23 TYR CA C 13 60.134 0.000 . . . . . . . . . . 7099 1 181 . 1 1 23 23 TYR CB C 13 35.659 0.000 . . . . . . . . . . 7099 1 182 . 1 1 23 23 TYR N N 15 120.479 0.000 . . . . . . . . . . 7099 1 183 . 1 1 24 24 GLU H H 1 8.743 0.000 . . . . . . . . . . 7099 1 184 . 1 1 24 24 GLU HA H 1 3.604 0.000 . . . . . . . . . . 7099 1 185 . 1 1 24 24 GLU HB2 H 1 2.000 0.000 . . . . . . . . . . 7099 1 186 . 1 1 24 24 GLU HB3 H 1 1.908 0.000 . . . . . . . . . . 7099 1 187 . 1 1 24 24 GLU HG2 H 1 2.080 0.000 . . . . . . . . . . 7099 1 188 . 1 1 24 24 GLU HG3 H 1 2.185 0.000 . . . . . . . . . . 7099 1 189 . 1 1 24 24 GLU CA C 13 60.684 0.000 . . . . . . . . . . 7099 1 190 . 1 1 24 24 GLU CB C 13 29.070 0.000 . . . . . . . . . . 7099 1 191 . 1 1 24 24 GLU CG C 13 37.166 0.000 . . . . . . . . . . 7099 1 192 . 1 1 24 24 GLU N N 15 118.314 0.000 . . . . . . . . . . 7099 1 193 . 1 1 25 25 GLU H H 1 8.283 0.000 . . . . . . . . . . 7099 1 194 . 1 1 25 25 GLU HA H 1 3.826 0.000 . . . . . . . . . . 7099 1 195 . 1 1 25 25 GLU HB2 H 1 2.035 0.000 . . . . . . . . . . 7099 1 196 . 1 1 25 25 GLU HB3 H 1 1.879 0.000 . . . . . . . . . . 7099 1 197 . 1 1 25 25 GLU HG2 H 1 2.166 0.000 . . . . . . . . . . 7099 1 198 . 1 1 25 25 GLU HG3 H 1 2.166 0.000 . . . . . . . . . . 7099 1 199 . 1 1 25 25 GLU CA C 13 58.883 0.000 . . . . . . . . . . 7099 1 200 . 1 1 25 25 GLU CB C 13 29.510 0.000 . . . . . . . . . . 7099 1 201 . 1 1 25 25 GLU CG C 13 35.890 0.000 . . . . . . . . . . 7099 1 202 . 1 1 25 25 GLU N N 15 117.561 0.000 . . . . . . . . . . 7099 1 203 . 1 1 26 26 VAL H H 1 8.007 0.000 . . . . . . . . . . 7099 1 204 . 1 1 26 26 VAL HA H 1 3.680 0.000 . . . . . . . . . . 7099 1 205 . 1 1 26 26 VAL HB H 1 1.903 0.000 . . . . . . . . . . 7099 1 206 . 1 1 26 26 VAL HG11 H 1 0.926 0.000 . . . . . . . . . . 7099 1 207 . 1 1 26 26 VAL HG12 H 1 0.926 0.000 . . . . . . . . . . 7099 1 208 . 1 1 26 26 VAL HG13 H 1 0.926 0.000 . . . . . . . . . . 7099 1 209 . 1 1 26 26 VAL HG21 H 1 0.904 0.000 . . . . . . . . . . 7099 1 210 . 1 1 26 26 VAL HG22 H 1 0.904 0.000 . . . . . . . . . . 7099 1 211 . 1 1 26 26 VAL HG23 H 1 0.904 0.000 . . . . . . . . . . 7099 1 212 . 1 1 26 26 VAL CA C 13 65.899 0.000 . . . . . . . . . . 7099 1 213 . 1 1 26 26 VAL CB C 13 32.095 0.000 . . . . . . . . . . 7099 1 214 . 1 1 26 26 VAL CG1 C 13 23.832 0.000 . . . . . . . . . . 7099 1 215 . 1 1 26 26 VAL CG2 C 13 23.832 0.000 . . . . . . . . . . 7099 1 216 . 1 1 26 26 VAL N N 15 117.213 0.000 . . . . . . . . . . 7099 1 217 . 1 1 27 27 MET H H 1 8.461 0.000 . . . . . . . . . . 7099 1 218 . 1 1 27 27 MET HA H 1 4.890 0.000 . . . . . . . . . . 7099 1 219 . 1 1 27 27 MET HB2 H 1 2.139 0.000 . . . . . . . . . . 7099 1 220 . 1 1 27 27 MET HB3 H 1 1.810 0.000 . . . . . . . . . . 7099 1 221 . 1 1 27 27 MET HG2 H 1 2.790 0.000 . . . . . . . . . . 7099 1 222 . 1 1 27 27 MET HG3 H 1 2.255 0.000 . . . . . . . . . . 7099 1 223 . 1 1 27 27 MET CA C 13 56.485 0.000 . . . . . . . . . . 7099 1 224 . 1 1 27 27 MET CB C 13 29.503 0.000 . . . . . . . . . . 7099 1 225 . 1 1 27 27 MET CG C 13 32.023 0.000 . . . . . . . . . . 7099 1 226 . 1 1 27 27 MET N N 15 118.166 0.000 . . . . . . . . . . 7099 1 227 . 1 1 28 28 LYS H H 1 7.682 0.000 . . . . . . . . . . 7099 1 228 . 1 1 28 28 LYS HA H 1 4.183 0.000 . . . . . . . . . . 7099 1 229 . 1 1 28 28 LYS HB2 H 1 1.790 0.000 . . . . . . . . . . 7099 1 230 . 1 1 28 28 LYS HB3 H 1 1.900 0.000 . . . . . . . . . . 7099 1 231 . 1 1 28 28 LYS HG2 H 1 1.430 0.000 . . . . . . . . . . 7099 1 232 . 1 1 28 28 LYS HG3 H 1 1.430 0.000 . . . . . . . . . . 7099 1 233 . 1 1 28 28 LYS HD2 H 1 1.649 0.000 . . . . . . . . . . 7099 1 234 . 1 1 28 28 LYS HD3 H 1 1.613 0.000 . . . . . . . . . . 7099 1 235 . 1 1 28 28 LYS HE2 H 1 2.881 0.000 . . . . . . . . . . 7099 1 236 . 1 1 28 28 LYS HE3 H 1 2.925 0.000 . . . . . . . . . . 7099 1 237 . 1 1 28 28 LYS CA C 13 57.772 0.000 . . . . . . . . . . 7099 1 238 . 1 1 28 28 LYS CB C 13 31.333 0.000 . . . . . . . . . . 7099 1 239 . 1 1 28 28 LYS CG C 13 26.720 0.000 . . . . . . . . . . 7099 1 240 . 1 1 28 28 LYS CD C 13 26.817 0.000 . . . . . . . . . . 7099 1 241 . 1 1 28 28 LYS CE C 13 41.662 0.000 . . . . . . . . . . 7099 1 242 . 1 1 28 28 LYS N N 15 114.774 0.000 . . . . . . . . . . 7099 1 243 . 1 1 29 29 THR H H 1 7.629 0.000 . . . . . . . . . . 7099 1 244 . 1 1 29 29 THR HA H 1 4.124 0.000 . . . . . . . . . . 7099 1 245 . 1 1 29 29 THR HB H 1 3.675 0.000 . . . . . . . . . . 7099 1 246 . 1 1 29 29 THR HG21 H 1 1.259 0.000 . . . . . . . . . . 7099 1 247 . 1 1 29 29 THR HG22 H 1 1.259 0.000 . . . . . . . . . . 7099 1 248 . 1 1 29 29 THR HG23 H 1 1.259 0.000 . . . . . . . . . . 7099 1 249 . 1 1 29 29 THR CA C 13 63.403 0.000 . . . . . . . . . . 7099 1 250 . 1 1 29 29 THR CB C 13 69.811 0.000 . . . . . . . . . . 7099 1 251 . 1 1 29 29 THR N N 15 109.023 0.000 . . . . . . . . . . 7099 1 252 . 1 1 30 30 PHE H H 1 7.510 0.000 . . . . . . . . . . 7099 1 253 . 1 1 30 30 PHE HA H 1 4.670 0.000 . . . . . . . . . . 7099 1 254 . 1 1 30 30 PHE HB2 H 1 3.205 0.000 . . . . . . . . . . 7099 1 255 . 1 1 30 30 PHE HB3 H 1 3.369 0.000 . . . . . . . . . . 7099 1 256 . 1 1 30 30 PHE CA C 13 57.896 0.000 . . . . . . . . . . 7099 1 257 . 1 1 30 30 PHE CB C 13 39.616 0.000 . . . . . . . . . . 7099 1 258 . 1 1 30 30 PHE N N 15 121.544 0.000 . . . . . . . . . . 7099 1 259 . 1 1 31 31 ASP H H 1 8.925 0.000 . . . . . . . . . . 7099 1 260 . 1 1 31 31 ASP HA H 1 4.425 0.000 . . . . . . . . . . 7099 1 261 . 1 1 31 31 ASP HB2 H 1 2.709 0.000 . . . . . . . . . . 7099 1 262 . 1 1 31 31 ASP HB3 H 1 2.856 0.000 . . . . . . . . . . 7099 1 263 . 1 1 31 31 ASP CA C 13 56.102 0.000 . . . . . . . . . . 7099 1 264 . 1 1 31 31 ASP CB C 13 40.266 0.000 . . . . . . . . . . 7099 1 265 . 1 1 31 31 ASP N N 15 124.070 0.000 . . . . . . . . . . 7099 1 266 . 1 1 32 32 THR H H 1 7.394 0.000 . . . . . . . . . . 7099 1 267 . 1 1 32 32 THR HA H 1 4.059 0.000 . . . . . . . . . . 7099 1 268 . 1 1 32 32 THR HG21 H 1 1.633 0.000 . . . . . . . . . . 7099 1 269 . 1 1 32 32 THR HG22 H 1 1.633 0.000 . . . . . . . . . . 7099 1 270 . 1 1 32 32 THR HG23 H 1 1.633 0.000 . . . . . . . . . . 7099 1 271 . 1 1 32 32 THR CA C 13 61.465 0.000 . . . . . . . . . . 7099 1 272 . 1 1 32 32 THR CB C 13 70.047 0.000 . . . . . . . . . . 7099 1 273 . 1 1 32 32 THR N N 15 106.046 0.000 . . . . . . . . . . 7099 1 274 . 1 1 33 33 VAL H H 1 7.394 0.000 . . . . . . . . . . 7099 1 275 . 1 1 33 33 VAL HA H 1 3.818 0.000 . . . . . . . . . . 7099 1 276 . 1 1 33 33 VAL HB H 1 2.335 0.000 . . . . . . . . . . 7099 1 277 . 1 1 33 33 VAL HG11 H 1 0.563 0.000 . . . . . . . . . . 7099 1 278 . 1 1 33 33 VAL HG12 H 1 0.563 0.000 . . . . . . . . . . 7099 1 279 . 1 1 33 33 VAL HG13 H 1 0.563 0.000 . . . . . . . . . . 7099 1 280 . 1 1 33 33 VAL HG21 H 1 0.884 0.000 . . . . . . . . . . 7099 1 281 . 1 1 33 33 VAL HG22 H 1 0.884 0.000 . . . . . . . . . . 7099 1 282 . 1 1 33 33 VAL HG23 H 1 0.884 0.000 . . . . . . . . . . 7099 1 283 . 1 1 33 33 VAL CA C 13 63.292 0.000 . . . . . . . . . . 7099 1 284 . 1 1 33 33 VAL CB C 13 32.980 0.000 . . . . . . . . . . 7099 1 285 . 1 1 33 33 VAL CG1 C 13 21.464 0.000 . . . . . . . . . . 7099 1 286 . 1 1 33 33 VAL CG2 C 13 22.776 0.000 . . . . . . . . . . 7099 1 287 . 1 1 33 33 VAL N N 15 122.532 0.000 . . . . . . . . . . 7099 1 288 . 1 1 34 34 GLU H H 1 9.331 0.000 . . . . . . . . . . 7099 1 289 . 1 1 34 34 GLU HA H 1 4.165 0.000 . . . . . . . . . . 7099 1 290 . 1 1 34 34 GLU HB2 H 1 1.558 0.000 . . . . . . . . . . 7099 1 291 . 1 1 34 34 GLU HB3 H 1 1.669 0.000 . . . . . . . . . . 7099 1 292 . 1 1 34 34 GLU HG2 H 1 1.980 0.000 . . . . . . . . . . 7099 1 293 . 1 1 34 34 GLU HG3 H 1 2.100 0.000 . . . . . . . . . . 7099 1 294 . 1 1 34 34 GLU CA C 13 57.148 0.000 . . . . . . . . . . 7099 1 295 . 1 1 34 34 GLU CB C 13 31.091 0.000 . . . . . . . . . . 7099 1 296 . 1 1 34 34 GLU CG C 13 35.568 0.000 . . . . . . . . . . 7099 1 297 . 1 1 34 34 GLU N N 15 129.961 0.000 . . . . . . . . . . 7099 1 298 . 1 1 35 35 ALA H H 1 7.856 0.000 . . . . . . . . . . 7099 1 299 . 1 1 35 35 ALA HA H 1 4.480 0.000 . . . . . . . . . . 7099 1 300 . 1 1 35 35 ALA HB1 H 1 1.223 0.000 . . . . . . . . . . 7099 1 301 . 1 1 35 35 ALA HB2 H 1 1.223 0.000 . . . . . . . . . . 7099 1 302 . 1 1 35 35 ALA HB3 H 1 1.223 0.000 . . . . . . . . . . 7099 1 303 . 1 1 35 35 ALA CA C 13 51.380 0.000 . . . . . . . . . . 7099 1 304 . 1 1 35 35 ALA CB C 13 22.471 0.000 . . . . . . . . . . 7099 1 305 . 1 1 35 35 ALA N N 15 118.764 0.000 . . . . . . . . . . 7099 1 306 . 1 1 36 36 VAL H H 1 8.399 0.000 . . . . . . . . . . 7099 1 307 . 1 1 36 36 VAL HA H 1 5.107 0.000 . . . . . . . . . . 7099 1 308 . 1 1 36 36 VAL HB H 1 1.890 0.000 . . . . . . . . . . 7099 1 309 . 1 1 36 36 VAL HG11 H 1 0.809 0.000 . . . . . . . . . . 7099 1 310 . 1 1 36 36 VAL HG12 H 1 0.809 0.000 . . . . . . . . . . 7099 1 311 . 1 1 36 36 VAL HG13 H 1 0.809 0.000 . . . . . . . . . . 7099 1 312 . 1 1 36 36 VAL HG21 H 1 0.883 0.000 . . . . . . . . . . 7099 1 313 . 1 1 36 36 VAL HG22 H 1 0.883 0.000 . . . . . . . . . . 7099 1 314 . 1 1 36 36 VAL HG23 H 1 0.883 0.000 . . . . . . . . . . 7099 1 315 . 1 1 36 36 VAL CA C 13 59.777 0.000 . . . . . . . . . . 7099 1 316 . 1 1 36 36 VAL CB C 13 34.061 0.000 . . . . . . . . . . 7099 1 317 . 1 1 36 36 VAL CG1 C 13 20.881 0.000 . . . . . . . . . . 7099 1 318 . 1 1 36 36 VAL CG2 C 13 21.418 0.000 . . . . . . . . . . 7099 1 319 . 1 1 36 36 VAL N N 15 118.318 0.000 . . . . . . . . . . 7099 1 320 . 1 1 37 37 ARG H H 1 8.929 0.000 . . . . . . . . . . 7099 1 321 . 1 1 37 37 ARG HA H 1 4.696 0.000 . . . . . . . . . . 7099 1 322 . 1 1 37 37 ARG HB2 H 1 1.670 0.000 . . . . . . . . . . 7099 1 323 . 1 1 37 37 ARG HB3 H 1 1.529 0.000 . . . . . . . . . . 7099 1 324 . 1 1 37 37 ARG HG2 H 1 1.385 0.000 . . . . . . . . . . 7099 1 325 . 1 1 37 37 ARG HG3 H 1 1.484 0.000 . . . . . . . . . . 7099 1 326 . 1 1 37 37 ARG HD2 H 1 3.044 0.000 . . . . . . . . . . 7099 1 327 . 1 1 37 37 ARG HD3 H 1 3.044 0.000 . . . . . . . . . . 7099 1 328 . 1 1 37 37 ARG CA C 13 54.292 0.000 . . . . . . . . . . 7099 1 329 . 1 1 37 37 ARG CB C 13 33.641 0.000 . . . . . . . . . . 7099 1 330 . 1 1 37 37 ARG CG C 13 27.001 0.000 . . . . . . . . . . 7099 1 331 . 1 1 37 37 ARG CD C 13 43.356 0.000 . . . . . . . . . . 7099 1 332 . 1 1 37 37 ARG N N 15 124.364 0.000 . . . . . . . . . . 7099 1 333 . 1 1 38 38 LYS H H 1 8.716 0.000 . . . . . . . . . . 7099 1 334 . 1 1 38 38 LYS HA H 1 3.150 0.000 . . . . . . . . . . 7099 1 335 . 1 1 38 38 LYS HB2 H 1 1.194 0.000 . . . . . . . . . . 7099 1 336 . 1 1 38 38 LYS HB3 H 1 1.336 0.000 . . . . . . . . . . 7099 1 337 . 1 1 38 38 LYS HG2 H 1 0.887 0.000 . . . . . . . . . . 7099 1 338 . 1 1 38 38 LYS HG3 H 1 0.887 0.000 . . . . . . . . . . 7099 1 339 . 1 1 38 38 LYS HD2 H 1 1.480 0.000 . . . . . . . . . . 7099 1 340 . 1 1 38 38 LYS HD3 H 1 1.592 0.000 . . . . . . . . . . 7099 1 341 . 1 1 38 38 LYS HE2 H 1 2.865 0.000 . . . . . . . . . . 7099 1 342 . 1 1 38 38 LYS HE3 H 1 2.908 0.000 . . . . . . . . . . 7099 1 343 . 1 1 38 38 LYS CA C 13 56.536 0.000 . . . . . . . . . . 7099 1 344 . 1 1 38 38 LYS CB C 13 32.294 0.000 . . . . . . . . . . 7099 1 345 . 1 1 38 38 LYS CG C 13 23.761 0.000 . . . . . . . . . . 7099 1 346 . 1 1 38 38 LYS CD C 13 28.852 0.000 . . . . . . . . . . 7099 1 347 . 1 1 38 38 LYS CE C 13 41.470 0.000 . . . . . . . . . . 7099 1 348 . 1 1 38 38 LYS N N 15 127.989 0.000 . . . . . . . . . . 7099 1 349 . 1 1 39 39 SER H H 1 8.492 0.000 . . . . . . . . . . 7099 1 350 . 1 1 39 39 SER HA H 1 4.264 0.000 . . . . . . . . . . 7099 1 351 . 1 1 39 39 SER CA C 13 58.214 0.000 . . . . . . . . . . 7099 1 352 . 1 1 39 39 SER CB C 13 63.452 0.000 . . . . . . . . . . 7099 1 353 . 1 1 39 39 SER N N 15 120.978 0.000 . . . . . . . . . . 7099 1 354 . 1 1 40 40 ASP H H 1 8.623 0.000 . . . . . . . . . . 7099 1 355 . 1 1 40 40 ASP HA H 1 4.377 0.000 . . . . . . . . . . 7099 1 356 . 1 1 40 40 ASP HB2 H 1 2.479 0.000 . . . . . . . . . . 7099 1 357 . 1 1 40 40 ASP HB3 H 1 2.609 0.000 . . . . . . . . . . 7099 1 358 . 1 1 40 40 ASP CA C 13 55.606 0.000 . . . . . . . . . . 7099 1 359 . 1 1 40 40 ASP CB C 13 40.805 0.000 . . . . . . . . . . 7099 1 360 . 1 1 40 40 ASP N N 15 124.660 0.000 . . . . . . . . . . 7099 1 361 . 1 1 41 41 LEU H H 1 7.980 0.000 . . . . . . . . . . 7099 1 362 . 1 1 41 41 LEU HA H 1 4.868 0.000 . . . . . . . . . . 7099 1 363 . 1 1 41 41 LEU CA C 13 55.213 0.000 . . . . . . . . . . 7099 1 364 . 1 1 41 41 LEU CB C 13 43.493 0.000 . . . . . . . . . . 7099 1 365 . 1 1 41 41 LEU N N 15 117.617 0.000 . . . . . . . . . . 7099 1 366 . 1 1 42 42 ASP H H 1 7.013 0.000 . . . . . . . . . . 7099 1 367 . 1 1 42 42 ASP HA H 1 4.559 0.000 . . . . . . . . . . 7099 1 368 . 1 1 42 42 ASP HB2 H 1 2.324 0.000 . . . . . . . . . . 7099 1 369 . 1 1 42 42 ASP HB3 H 1 2.612 0.000 . . . . . . . . . . 7099 1 370 . 1 1 42 42 ASP CA C 13 53.495 0.000 . . . . . . . . . . 7099 1 371 . 1 1 42 42 ASP CB C 13 43.182 0.000 . . . . . . . . . . 7099 1 372 . 1 1 42 42 ASP N N 15 118.831 0.000 . . . . . . . . . . 7099 1 373 . 1 1 43 43 ASP H H 1 8.481 0.000 . . . . . . . . . . 7099 1 374 . 1 1 43 43 ASP HA H 1 4.303 0.000 . . . . . . . . . . 7099 1 375 . 1 1 43 43 ASP HB2 H 1 2.686 0.000 . . . . . . . . . . 7099 1 376 . 1 1 43 43 ASP HB3 H 1 2.616 0.000 . . . . . . . . . . 7099 1 377 . 1 1 43 43 ASP CA C 13 55.952 0.000 . . . . . . . . . . 7099 1 378 . 1 1 43 43 ASP CB C 13 40.638 0.000 . . . . . . . . . . 7099 1 379 . 1 1 43 43 ASP N N 15 124.427 0.000 . . . . . . . . . . 7099 1 380 . 1 1 44 44 ARG H H 1 8.525 0.000 . . . . . . . . . . 7099 1 381 . 1 1 44 44 ARG HA H 1 4.415 0.000 . . . . . . . . . . 7099 1 382 . 1 1 44 44 ARG HB2 H 1 1.676 0.000 . . . . . . . . . . 7099 1 383 . 1 1 44 44 ARG HB3 H 1 2.240 0.000 . . . . . . . . . . 7099 1 384 . 1 1 44 44 ARG HG2 H 1 1.614 0.000 . . . . . . . . . . 7099 1 385 . 1 1 44 44 ARG HG3 H 1 1.614 0.000 . . . . . . . . . . 7099 1 386 . 1 1 44 44 ARG HD2 H 1 3.187 0.000 . . . . . . . . . . 7099 1 387 . 1 1 44 44 ARG HD3 H 1 3.187 0.000 . . . . . . . . . . 7099 1 388 . 1 1 44 44 ARG CA C 13 56.896 0.000 . . . . . . . . . . 7099 1 389 . 1 1 44 44 ARG CB C 13 31.041 0.000 . . . . . . . . . . 7099 1 390 . 1 1 44 44 ARG CG C 13 28.380 0.000 . . . . . . . . . . 7099 1 391 . 1 1 44 44 ARG CD C 13 43.659 0.000 . . . . . . . . . . 7099 1 392 . 1 1 44 44 ARG N N 15 118.075 0.000 . . . . . . . . . . 7099 1 393 . 1 1 45 45 VAL H H 1 7.235 0.000 . . . . . . . . . . 7099 1 394 . 1 1 45 45 VAL HA H 1 4.938 0.000 . . . . . . . . . . 7099 1 395 . 1 1 45 45 VAL HB H 1 2.020 0.000 . . . . . . . . . . 7099 1 396 . 1 1 45 45 VAL HG11 H 1 0.860 0.000 . . . . . . . . . . 7099 1 397 . 1 1 45 45 VAL HG12 H 1 0.860 0.000 . . . . . . . . . . 7099 1 398 . 1 1 45 45 VAL HG13 H 1 0.860 0.000 . . . . . . . . . . 7099 1 399 . 1 1 45 45 VAL HG21 H 1 0.882 0.000 . . . . . . . . . . 7099 1 400 . 1 1 45 45 VAL HG22 H 1 0.882 0.000 . . . . . . . . . . 7099 1 401 . 1 1 45 45 VAL HG23 H 1 0.882 0.000 . . . . . . . . . . 7099 1 402 . 1 1 45 45 VAL CA C 13 61.655 0.000 . . . . . . . . . . 7099 1 403 . 1 1 45 45 VAL CB C 13 34.266 0.000 . . . . . . . . . . 7099 1 404 . 1 1 45 45 VAL CG1 C 13 21.366 0.000 . . . . . . . . . . 7099 1 405 . 1 1 45 45 VAL CG2 C 13 21.385 0.000 . . . . . . . . . . 7099 1 406 . 1 1 45 45 VAL N N 15 114.911 0.000 . . . . . . . . . . 7099 1 407 . 1 1 46 46 TYR H H 1 9.556 0.000 . . . . . . . . . . 7099 1 408 . 1 1 46 46 TYR HA H 1 4.797 0.000 . . . . . . . . . . 7099 1 409 . 1 1 46 46 TYR HB2 H 1 2.990 0.000 . . . . . . . . . . 7099 1 410 . 1 1 46 46 TYR HB3 H 1 2.384 0.000 . . . . . . . . . . 7099 1 411 . 1 1 46 46 TYR HD1 H 1 6.854 0.000 . . . . . . . . . . 7099 1 412 . 1 1 46 46 TYR HD2 H 1 6.862 0.000 . . . . . . . . . . 7099 1 413 . 1 1 46 46 TYR HE1 H 1 6.720 0.000 . . . . . . . . . . 7099 1 414 . 1 1 46 46 TYR HE2 H 1 6.726 0.000 . . . . . . . . . . 7099 1 415 . 1 1 46 46 TYR CA C 13 56.802 0.000 . . . . . . . . . . 7099 1 416 . 1 1 46 46 TYR CB C 13 42.159 0.000 . . . . . . . . . . 7099 1 417 . 1 1 46 46 TYR N N 15 127.063 0.000 . . . . . . . . . . 7099 1 418 . 1 1 47 47 MET H H 1 9.150 0.000 . . . . . . . . . . 7099 1 419 . 1 1 47 47 MET HA H 1 4.546 0.000 . . . . . . . . . . 7099 1 420 . 1 1 47 47 MET HB2 H 1 1.850 0.000 . . . . . . . . . . 7099 1 421 . 1 1 47 47 MET HB3 H 1 1.771 0.000 . . . . . . . . . . 7099 1 422 . 1 1 47 47 MET HG2 H 1 2.299 0.000 . . . . . . . . . . 7099 1 423 . 1 1 47 47 MET HG3 H 1 2.212 0.000 . . . . . . . . . . 7099 1 424 . 1 1 47 47 MET CA C 13 55.280 0.000 . . . . . . . . . . 7099 1 425 . 1 1 47 47 MET CB C 13 34.494 0.000 . . . . . . . . . . 7099 1 426 . 1 1 47 47 MET CG C 13 31.994 0.000 . . . . . . . . . . 7099 1 427 . 1 1 47 47 MET N N 15 121.198 0.000 . . . . . . . . . . 7099 1 428 . 1 1 48 48 VAL H H 1 8.981 0.000 . . . . . . . . . . 7099 1 429 . 1 1 48 48 VAL HA H 1 3.890 0.000 . . . . . . . . . . 7099 1 430 . 1 1 48 48 VAL HB H 1 1.890 0.000 . . . . . . . . . . 7099 1 431 . 1 1 48 48 VAL HG11 H 1 0.098 0.000 . . . . . . . . . . 7099 1 432 . 1 1 48 48 VAL HG12 H 1 0.098 0.000 . . . . . . . . . . 7099 1 433 . 1 1 48 48 VAL HG13 H 1 0.098 0.000 . . . . . . . . . . 7099 1 434 . 1 1 48 48 VAL HG21 H 1 0.337 0.000 . . . . . . . . . . 7099 1 435 . 1 1 48 48 VAL HG22 H 1 0.337 0.000 . . . . . . . . . . 7099 1 436 . 1 1 48 48 VAL HG23 H 1 0.337 0.000 . . . . . . . . . . 7099 1 437 . 1 1 48 48 VAL CA C 13 62.128 0.000 . . . . . . . . . . 7099 1 438 . 1 1 48 48 VAL CB C 13 31.122 0.000 . . . . . . . . . . 7099 1 439 . 1 1 48 48 VAL CG1 C 13 22.981 0.000 . . . . . . . . . . 7099 1 440 . 1 1 48 48 VAL CG2 C 13 21.841 0.000 . . . . . . . . . . 7099 1 441 . 1 1 48 48 VAL N N 15 126.954 0.000 . . . . . . . . . . 7099 1 442 . 1 1 49 49 CYS H H 1 8.365 0.000 . . . . . . . . . . 7099 1 443 . 1 1 49 49 CYS HA H 1 4.550 0.000 . . . . . . . . . . 7099 1 444 . 1 1 49 49 CYS HB2 H 1 2.856 0.000 . . . . . . . . . . 7099 1 445 . 1 1 49 49 CYS HB3 H 1 2.927 0.000 . . . . . . . . . . 7099 1 446 . 1 1 49 49 CYS CA C 13 55.854 0.000 . . . . . . . . . . 7099 1 447 . 1 1 49 49 CYS CB C 13 28.700 0.000 . . . . . . . . . . 7099 1 448 . 1 1 49 49 CYS N N 15 123.493 0.000 . . . . . . . . . . 7099 1 449 . 1 1 50 50 LEU H H 1 8.899 0.000 . . . . . . . . . . 7099 1 450 . 1 1 50 50 LEU HA H 1 4.639 0.000 . . . . . . . . . . 7099 1 451 . 1 1 50 50 LEU HB2 H 1 1.710 0.000 . . . . . . . . . . 7099 1 452 . 1 1 50 50 LEU HB3 H 1 1.485 0.000 . . . . . . . . . . 7099 1 453 . 1 1 50 50 LEU HG H 1 1.666 0.000 . . . . . . . . . . 7099 1 454 . 1 1 50 50 LEU HD11 H 1 0.779 0.000 . . . . . . . . . . 7099 1 455 . 1 1 50 50 LEU HD12 H 1 0.779 0.000 . . . . . . . . . . 7099 1 456 . 1 1 50 50 LEU HD13 H 1 0.779 0.000 . . . . . . . . . . 7099 1 457 . 1 1 50 50 LEU HD21 H 1 0.660 0.000 . . . . . . . . . . 7099 1 458 . 1 1 50 50 LEU HD22 H 1 0.660 0.000 . . . . . . . . . . 7099 1 459 . 1 1 50 50 LEU HD23 H 1 0.660 0.000 . . . . . . . . . . 7099 1 460 . 1 1 50 50 LEU CA C 13 54.141 0.000 . . . . . . . . . . 7099 1 461 . 1 1 50 50 LEU CB C 13 42.161 0.000 . . . . . . . . . . 7099 1 462 . 1 1 50 50 LEU CG C 13 27.409 0.000 . . . . . . . . . . 7099 1 463 . 1 1 50 50 LEU CD1 C 13 26.190 0.000 . . . . . . . . . . 7099 1 464 . 1 1 50 50 LEU CD2 C 13 25.702 0.000 . . . . . . . . . . 7099 1 465 . 1 1 50 50 LEU N N 15 125.780 0.000 . . . . . . . . . . 7099 1 466 . 1 1 51 51 LYS H H 1 8.363 0.000 . . . . . . . . . . 7099 1 467 . 1 1 51 51 LYS HA H 1 4.055 0.000 . . . . . . . . . . 7099 1 468 . 1 1 51 51 LYS HB2 H 1 1.721 0.000 . . . . . . . . . . 7099 1 469 . 1 1 51 51 LYS HB3 H 1 1.551 0.000 . . . . . . . . . . 7099 1 470 . 1 1 51 51 LYS HG2 H 1 1.098 0.000 . . . . . . . . . . 7099 1 471 . 1 1 51 51 LYS HG3 H 1 1.371 0.000 . . . . . . . . . . 7099 1 472 . 1 1 51 51 LYS HD2 H 1 1.633 0.000 . . . . . . . . . . 7099 1 473 . 1 1 51 51 LYS HD3 H 1 1.633 0.000 . . . . . . . . . . 7099 1 474 . 1 1 51 51 LYS HE2 H 1 2.761 0.000 . . . . . . . . . . 7099 1 475 . 1 1 51 51 LYS HE3 H 1 2.891 0.000 . . . . . . . . . . 7099 1 476 . 1 1 51 51 LYS CA C 13 57.056 0.000 . . . . . . . . . . 7099 1 477 . 1 1 51 51 LYS CB C 13 32.936 0.000 . . . . . . . . . . 7099 1 478 . 1 1 51 51 LYS CG C 13 26.350 0.000 . . . . . . . . . . 7099 1 479 . 1 1 51 51 LYS CD C 13 29.511 0.000 . . . . . . . . . . 7099 1 480 . 1 1 51 51 LYS CE C 13 42.310 0.000 . . . . . . . . . . 7099 1 481 . 1 1 51 51 LYS N N 15 122.098 0.000 . . . . . . . . . . 7099 1 482 . 1 1 52 52 GLN H H 1 8.661 0.000 . . . . . . . . . . 7099 1 483 . 1 1 52 52 GLN HA H 1 4.048 0.000 . . . . . . . . . . 7099 1 484 . 1 1 52 52 GLN CA C 13 57.592 0.000 . . . . . . . . . . 7099 1 485 . 1 1 52 52 GLN CB C 13 28.227 0.000 . . . . . . . . . . 7099 1 486 . 1 1 52 52 GLN N N 15 124.534 0.000 . . . . . . . . . . 7099 1 487 . 1 1 53 53 GLY H H 1 9.014 0.000 . . . . . . . . . . 7099 1 488 . 1 1 53 53 GLY HA2 H 1 4.128 0.000 . . . . . . . . . . 7099 1 489 . 1 1 53 53 GLY HA3 H 1 3.722 0.000 . . . . . . . . . . 7099 1 490 . 1 1 53 53 GLY CA C 13 45.587 0.000 . . . . . . . . . . 7099 1 491 . 1 1 53 53 GLY N N 15 114.849 0.000 . . . . . . . . . . 7099 1 492 . 1 1 54 54 SER H H 1 8.004 0.000 . . . . . . . . . . 7099 1 493 . 1 1 54 54 SER HA H 1 4.609 0.000 . . . . . . . . . . 7099 1 494 . 1 1 54 54 SER HB2 H 1 3.664 0.000 . . . . . . . . . . 7099 1 495 . 1 1 54 54 SER HB3 H 1 3.945 0.000 . . . . . . . . . . 7099 1 496 . 1 1 54 54 SER CA C 13 59.279 0.000 . . . . . . . . . . 7099 1 497 . 1 1 54 54 SER CB C 13 64.950 0.000 . . . . . . . . . . 7099 1 498 . 1 1 54 54 SER N N 15 116.856 0.000 . . . . . . . . . . 7099 1 499 . 1 1 55 55 THR H H 1 8.304 0.000 . . . . . . . . . . 7099 1 500 . 1 1 55 55 THR HA H 1 4.438 0.000 . . . . . . . . . . 7099 1 501 . 1 1 55 55 THR HB H 1 3.699 0.000 . . . . . . . . . . 7099 1 502 . 1 1 55 55 THR HG21 H 1 0.872 0.000 . . . . . . . . . . 7099 1 503 . 1 1 55 55 THR HG22 H 1 0.872 0.000 . . . . . . . . . . 7099 1 504 . 1 1 55 55 THR HG23 H 1 0.872 0.000 . . . . . . . . . . 7099 1 505 . 1 1 55 55 THR CA C 13 61.829 0.000 . . . . . . . . . . 7099 1 506 . 1 1 55 55 THR CB C 13 70.736 0.000 . . . . . . . . . . 7099 1 507 . 1 1 55 55 THR N N 15 116.683 0.000 . . . . . . . . . . 7099 1 508 . 1 1 56 56 PHE H H 1 8.997 0.000 . . . . . . . . . . 7099 1 509 . 1 1 56 56 PHE HA H 1 4.432 0.000 . . . . . . . . . . 7099 1 510 . 1 1 56 56 PHE HB2 H 1 2.979 0.000 . . . . . . . . . . 7099 1 511 . 1 1 56 56 PHE HB3 H 1 2.976 0.000 . . . . . . . . . . 7099 1 512 . 1 1 56 56 PHE HD1 H 1 6.895 0.000 . . . . . . . . . . 7099 1 513 . 1 1 56 56 PHE HE1 H 1 6.420 0.000 . . . . . . . . . . 7099 1 514 . 1 1 56 56 PHE HZ H 1 6.124 0.000 . . . . . . . . . . 7099 1 515 . 1 1 56 56 PHE CA C 13 58.085 0.000 . . . . . . . . . . 7099 1 516 . 1 1 56 56 PHE CB C 13 40.770 0.000 . . . . . . . . . . 7099 1 517 . 1 1 56 56 PHE N N 15 128.937 0.000 . . . . . . . . . . 7099 1 518 . 1 1 57 57 VAL H H 1 7.389 0.000 . . . . . . . . . . 7099 1 519 . 1 1 57 57 VAL HA H 1 4.440 0.000 . . . . . . . . . . 7099 1 520 . 1 1 57 57 VAL HB H 1 1.634 0.000 . . . . . . . . . . 7099 1 521 . 1 1 57 57 VAL HG11 H 1 0.662 0.000 . . . . . . . . . . 7099 1 522 . 1 1 57 57 VAL HG12 H 1 0.662 0.000 . . . . . . . . . . 7099 1 523 . 1 1 57 57 VAL HG13 H 1 0.662 0.000 . . . . . . . . . . 7099 1 524 . 1 1 57 57 VAL HG21 H 1 0.662 0.000 . . . . . . . . . . 7099 1 525 . 1 1 57 57 VAL HG22 H 1 0.662 0.000 . . . . . . . . . . 7099 1 526 . 1 1 57 57 VAL HG23 H 1 0.662 0.000 . . . . . . . . . . 7099 1 527 . 1 1 57 57 VAL CA C 13 60.562 0.000 . . . . . . . . . . 7099 1 528 . 1 1 57 57 VAL CB C 13 35.172 0.000 . . . . . . . . . . 7099 1 529 . 1 1 57 57 VAL CG1 C 13 20.837 0.000 . . . . . . . . . . 7099 1 530 . 1 1 57 57 VAL CG2 C 13 20.837 0.000 . . . . . . . . . . 7099 1 531 . 1 1 57 57 VAL N N 15 126.082 0.000 . . . . . . . . . . 7099 1 532 . 1 1 58 58 LEU H H 1 8.701 0.000 . . . . . . . . . . 7099 1 533 . 1 1 58 58 LEU HA H 1 4.541 0.000 . . . . . . . . . . 7099 1 534 . 1 1 58 58 LEU HB2 H 1 1.324 0.000 . . . . . . . . . . 7099 1 535 . 1 1 58 58 LEU HB3 H 1 1.662 0.000 . . . . . . . . . . 7099 1 536 . 1 1 58 58 LEU HG H 1 1.333 0.000 . . . . . . . . . . 7099 1 537 . 1 1 58 58 LEU HD11 H 1 0.753 0.000 . . . . . . . . . . 7099 1 538 . 1 1 58 58 LEU HD12 H 1 0.753 0.000 . . . . . . . . . . 7099 1 539 . 1 1 58 58 LEU HD13 H 1 0.753 0.000 . . . . . . . . . . 7099 1 540 . 1 1 58 58 LEU HD21 H 1 0.674 0.000 . . . . . . . . . . 7099 1 541 . 1 1 58 58 LEU HD22 H 1 0.674 0.000 . . . . . . . . . . 7099 1 542 . 1 1 58 58 LEU HD23 H 1 0.674 0.000 . . . . . . . . . . 7099 1 543 . 1 1 58 58 LEU CA C 13 52.418 0.000 . . . . . . . . . . 7099 1 544 . 1 1 58 58 LEU CB C 13 44.037 0.000 . . . . . . . . . . 7099 1 545 . 1 1 58 58 LEU CG C 13 26.149 0.000 . . . . . . . . . . 7099 1 546 . 1 1 58 58 LEU CD1 C 13 25.419 0.000 . . . . . . . . . . 7099 1 547 . 1 1 58 58 LEU CD2 C 13 25.702 0.000 . . . . . . . . . . 7099 1 548 . 1 1 58 58 LEU N N 15 126.023 0.000 . . . . . . . . . . 7099 1 549 . 1 1 59 59 ASN H H 1 9.566 0.000 . . . . . . . . . . 7099 1 550 . 1 1 59 59 ASN HA H 1 4.407 0.000 . . . . . . . . . . 7099 1 551 . 1 1 59 59 ASN HB2 H 1 2.759 0.000 . . . . . . . . . . 7099 1 552 . 1 1 59 59 ASN HB3 H 1 2.671 0.000 . . . . . . . . . . 7099 1 553 . 1 1 59 59 ASN CA C 13 56.487 0.000 . . . . . . . . . . 7099 1 554 . 1 1 59 59 ASN CB C 13 38.160 0.000 . . . . . . . . . . 7099 1 555 . 1 1 59 59 ASN N N 15 129.241 0.000 . . . . . . . . . . 7099 1 556 . 1 1 60 60 GLY H H 1 8.929 0.000 . . . . . . . . . . 7099 1 557 . 1 1 60 60 GLY HA2 H 1 3.766 0.000 . . . . . . . . . . 7099 1 558 . 1 1 60 60 GLY HA3 H 1 4.185 0.000 . . . . . . . . . . 7099 1 559 . 1 1 60 60 GLY CA C 13 45.079 0.000 . . . . . . . . . . 7099 1 560 . 1 1 60 60 GLY N N 15 107.661 0.000 . . . . . . . . . . 7099 1 561 . 1 1 61 61 GLY H H 1 7.320 0.000 . . . . . . . . . . 7099 1 562 . 1 1 61 61 GLY HA2 H 1 4.191 0.000 . . . . . . . . . . 7099 1 563 . 1 1 61 61 GLY HA3 H 1 3.522 0.000 . . . . . . . . . . 7099 1 564 . 1 1 61 61 GLY CA C 13 45.558 0.000 . . . . . . . . . . 7099 1 565 . 1 1 61 61 GLY N N 15 106.106 0.000 . . . . . . . . . . 7099 1 566 . 1 1 62 62 ILE H H 1 8.539 0.000 . . . . . . . . . . 7099 1 567 . 1 1 62 62 ILE HA H 1 3.560 0.000 . . . . . . . . . . 7099 1 568 . 1 1 62 62 ILE HB H 1 1.600 0.000 . . . . . . . . . . 7099 1 569 . 1 1 62 62 ILE HG12 H 1 1.062 0.000 . . . . . . . . . . 7099 1 570 . 1 1 62 62 ILE HG13 H 1 1.112 0.000 . . . . . . . . . . 7099 1 571 . 1 1 62 62 ILE HG21 H 1 0.774 0.000 . . . . . . . . . . 7099 1 572 . 1 1 62 62 ILE HG22 H 1 0.774 0.000 . . . . . . . . . . 7099 1 573 . 1 1 62 62 ILE HG23 H 1 0.774 0.000 . . . . . . . . . . 7099 1 574 . 1 1 62 62 ILE HD11 H 1 0.651 0.000 . . . . . . . . . . 7099 1 575 . 1 1 62 62 ILE HD12 H 1 0.651 0.000 . . . . . . . . . . 7099 1 576 . 1 1 62 62 ILE HD13 H 1 0.651 0.000 . . . . . . . . . . 7099 1 577 . 1 1 62 62 ILE CA C 13 63.269 0.000 . . . . . . . . . . 7099 1 578 . 1 1 62 62 ILE CB C 13 38.026 0.000 . . . . . . . . . . 7099 1 579 . 1 1 62 62 ILE CG1 C 13 29.375 0.000 . . . . . . . . . . 7099 1 580 . 1 1 62 62 ILE CG2 C 13 17.319 0.000 . . . . . . . . . . 7099 1 581 . 1 1 62 62 ILE CD1 C 13 14.133 0.000 . . . . . . . . . . 7099 1 582 . 1 1 62 62 ILE N N 15 121.174 0.000 . . . . . . . . . . 7099 1 583 . 1 1 63 63 GLU H H 1 8.730 0.000 . . . . . . . . . . 7099 1 584 . 1 1 63 63 GLU HA H 1 3.857 0.000 . . . . . . . . . . 7099 1 585 . 1 1 63 63 GLU HB2 H 1 1.987 0.000 . . . . . . . . . . 7099 1 586 . 1 1 63 63 GLU HB3 H 1 1.987 0.000 . . . . . . . . . . 7099 1 587 . 1 1 63 63 GLU HG2 H 1 2.289 0.000 . . . . . . . . . . 7099 1 588 . 1 1 63 63 GLU HG3 H 1 2.289 0.000 . . . . . . . . . . 7099 1 589 . 1 1 63 63 GLU CA C 13 59.579 0.000 . . . . . . . . . . 7099 1 590 . 1 1 63 63 GLU CB C 13 28.909 0.000 . . . . . . . . . . 7099 1 591 . 1 1 63 63 GLU CG C 13 36.377 0.000 . . . . . . . . . . 7099 1 592 . 1 1 63 63 GLU N N 15 120.923 0.000 . . . . . . . . . . 7099 1 593 . 1 1 64 64 GLU H H 1 7.234 0.000 . . . . . . . . . . 7099 1 594 . 1 1 64 64 GLU HA H 1 4.057 0.000 . . . . . . . . . . 7099 1 595 . 1 1 64 64 GLU HB2 H 1 1.809 0.000 . . . . . . . . . . 7099 1 596 . 1 1 64 64 GLU HB3 H 1 1.809 0.000 . . . . . . . . . . 7099 1 597 . 1 1 64 64 GLU HG2 H 1 2.116 0.000 . . . . . . . . . . 7099 1 598 . 1 1 64 64 GLU HG3 H 1 2.116 0.000 . . . . . . . . . . 7099 1 599 . 1 1 64 64 GLU CA C 13 59.121 0.000 . . . . . . . . . . 7099 1 600 . 1 1 64 64 GLU CB C 13 29.675 0.000 . . . . . . . . . . 7099 1 601 . 1 1 64 64 GLU CG C 13 36.598 0.000 . . . . . . . . . . 7099 1 602 . 1 1 64 64 GLU N N 15 119.795 0.000 . . . . . . . . . . 7099 1 603 . 1 1 65 65 LEU H H 1 7.211 0.000 . . . . . . . . . . 7099 1 604 . 1 1 65 65 LEU HA H 1 4.192 0.000 . . . . . . . . . . 7099 1 605 . 1 1 65 65 LEU HB2 H 1 1.586 0.000 . . . . . . . . . . 7099 1 606 . 1 1 65 65 LEU HB3 H 1 1.486 0.000 . . . . . . . . . . 7099 1 607 . 1 1 65 65 LEU HG H 1 1.630 0.000 . . . . . . . . . . 7099 1 608 . 1 1 65 65 LEU HD11 H 1 0.872 0.000 . . . . . . . . . . 7099 1 609 . 1 1 65 65 LEU HD12 H 1 0.872 0.000 . . . . . . . . . . 7099 1 610 . 1 1 65 65 LEU HD13 H 1 0.872 0.000 . . . . . . . . . . 7099 1 611 . 1 1 65 65 LEU HD21 H 1 0.723 0.000 . . . . . . . . . . 7099 1 612 . 1 1 65 65 LEU HD22 H 1 0.723 0.000 . . . . . . . . . . 7099 1 613 . 1 1 65 65 LEU HD23 H 1 0.723 0.000 . . . . . . . . . . 7099 1 614 . 1 1 65 65 LEU CA C 13 57.148 0.000 . . . . . . . . . . 7099 1 615 . 1 1 65 65 LEU CB C 13 42.250 0.000 . . . . . . . . . . 7099 1 616 . 1 1 65 65 LEU CG C 13 26.888 0.000 . . . . . . . . . . 7099 1 617 . 1 1 65 65 LEU CD1 C 13 24.505 0.000 . . . . . . . . . . 7099 1 618 . 1 1 65 65 LEU CD2 C 13 25.229 0.000 . . . . . . . . . . 7099 1 619 . 1 1 65 65 LEU N N 15 118.492 0.000 . . . . . . . . . . 7099 1 620 . 1 1 66 66 ARG H H 1 8.494 0.000 . . . . . . . . . . 7099 1 621 . 1 1 66 66 ARG HA H 1 3.788 0.000 . . . . . . . . . . 7099 1 622 . 1 1 66 66 ARG HB2 H 1 2.036 0.000 . . . . . . . . . . 7099 1 623 . 1 1 66 66 ARG HB3 H 1 2.036 0.000 . . . . . . . . . . 7099 1 624 . 1 1 66 66 ARG HG2 H 1 1.642 0.000 . . . . . . . . . . 7099 1 625 . 1 1 66 66 ARG HG3 H 1 1.642 0.000 . . . . . . . . . . 7099 1 626 . 1 1 66 66 ARG HD2 H 1 2.812 0.000 . . . . . . . . . . 7099 1 627 . 1 1 66 66 ARG HD3 H 1 3.044 0.000 . . . . . . . . . . 7099 1 628 . 1 1 66 66 ARG CA C 13 60.072 0.000 . . . . . . . . . . 7099 1 629 . 1 1 66 66 ARG CB C 13 29.565 0.000 . . . . . . . . . . 7099 1 630 . 1 1 66 66 ARG CG C 13 29.113 0.000 . . . . . . . . . . 7099 1 631 . 1 1 66 66 ARG CD C 13 43.551 0.000 . . . . . . . . . . 7099 1 632 . 1 1 66 66 ARG N N 15 122.359 0.000 . . . . . . . . . . 7099 1 633 . 1 1 67 67 LEU H H 1 7.711 0.000 . . . . . . . . . . 7099 1 634 . 1 1 67 67 LEU HA H 1 4.034 0.000 . . . . . . . . . . 7099 1 635 . 1 1 67 67 LEU HB2 H 1 1.636 0.000 . . . . . . . . . . 7099 1 636 . 1 1 67 67 LEU HB3 H 1 1.795 0.000 . . . . . . . . . . 7099 1 637 . 1 1 67 67 LEU HG H 1 1.631 0.000 . . . . . . . . . . 7099 1 638 . 1 1 67 67 LEU HD11 H 1 0.842 0.000 . . . . . . . . . . 7099 1 639 . 1 1 67 67 LEU HD12 H 1 0.842 0.000 . . . . . . . . . . 7099 1 640 . 1 1 67 67 LEU HD13 H 1 0.842 0.000 . . . . . . . . . . 7099 1 641 . 1 1 67 67 LEU HD21 H 1 0.817 0.000 . . . . . . . . . . 7099 1 642 . 1 1 67 67 LEU HD22 H 1 0.817 0.000 . . . . . . . . . . 7099 1 643 . 1 1 67 67 LEU HD23 H 1 0.817 0.000 . . . . . . . . . . 7099 1 644 . 1 1 67 67 LEU CA C 13 57.968 0.000 . . . . . . . . . . 7099 1 645 . 1 1 67 67 LEU CB C 13 41.520 0.000 . . . . . . . . . . 7099 1 646 . 1 1 67 67 LEU CG C 13 26.888 0.000 . . . . . . . . . . 7099 1 647 . 1 1 67 67 LEU CD1 C 13 24.603 0.000 . . . . . . . . . . 7099 1 648 . 1 1 67 67 LEU CD2 C 13 24.672 0.000 . . . . . . . . . . 7099 1 649 . 1 1 67 67 LEU N N 15 120.778 0.000 . . . . . . . . . . 7099 1 650 . 1 1 68 68 LEU H H 1 8.225 0.000 . . . . . . . . . . 7099 1 651 . 1 1 68 68 LEU HA H 1 4.034 0.000 . . . . . . . . . . 7099 1 652 . 1 1 68 68 LEU HB2 H 1 1.494 0.000 . . . . . . . . . . 7099 1 653 . 1 1 68 68 LEU HB3 H 1 1.850 0.000 . . . . . . . . . . 7099 1 654 . 1 1 68 68 LEU HG H 1 1.418 0.000 . . . . . . . . . . 7099 1 655 . 1 1 68 68 LEU HD11 H 1 0.949 0.000 . . . . . . . . . . 7099 1 656 . 1 1 68 68 LEU HD12 H 1 0.949 0.000 . . . . . . . . . . 7099 1 657 . 1 1 68 68 LEU HD13 H 1 0.949 0.000 . . . . . . . . . . 7099 1 658 . 1 1 68 68 LEU HD21 H 1 0.949 0.000 . . . . . . . . . . 7099 1 659 . 1 1 68 68 LEU HD22 H 1 0.949 0.000 . . . . . . . . . . 7099 1 660 . 1 1 68 68 LEU HD23 H 1 0.949 0.000 . . . . . . . . . . 7099 1 661 . 1 1 68 68 LEU CA C 13 57.795 0.000 . . . . . . . . . . 7099 1 662 . 1 1 68 68 LEU CB C 13 43.638 0.000 . . . . . . . . . . 7099 1 663 . 1 1 68 68 LEU CG C 13 27.345 0.000 . . . . . . . . . . 7099 1 664 . 1 1 68 68 LEU CD1 C 13 25.283 0.000 . . . . . . . . . . 7099 1 665 . 1 1 68 68 LEU CD2 C 13 25.283 0.000 . . . . . . . . . . 7099 1 666 . 1 1 68 68 LEU N N 15 118.861 0.000 . . . . . . . . . . 7099 1 667 . 1 1 69 69 THR H H 1 7.943 0.000 . . . . . . . . . . 7099 1 668 . 1 1 69 69 THR HA H 1 3.969 0.000 . . . . . . . . . . 7099 1 669 . 1 1 69 69 THR HB H 1 3.790 0.000 . . . . . . . . . . 7099 1 670 . 1 1 69 69 THR HG21 H 1 1.033 0.000 . . . . . . . . . . 7099 1 671 . 1 1 69 69 THR HG22 H 1 1.033 0.000 . . . . . . . . . . 7099 1 672 . 1 1 69 69 THR HG23 H 1 1.033 0.000 . . . . . . . . . . 7099 1 673 . 1 1 69 69 THR CA C 13 63.094 0.000 . . . . . . . . . . 7099 1 674 . 1 1 69 69 THR CB C 13 70.761 0.000 . . . . . . . . . . 7099 1 675 . 1 1 69 69 THR N N 15 129.349 0.000 . . . . . . . . . . 7099 1 676 . 1 1 70 70 GLY H H 1 7.547 0.000 . . . . . . . . . . 7099 1 677 . 1 1 70 70 GLY HA2 H 1 4.087 0.000 . . . . . . . . . . 7099 1 678 . 1 1 70 70 GLY HA3 H 1 3.753 0.000 . . . . . . . . . . 7099 1 679 . 1 1 70 70 GLY CA C 13 45.890 0.000 . . . . . . . . . . 7099 1 680 . 1 1 70 70 GLY N N 15 111.191 0.000 . . . . . . . . . . 7099 1 681 . 1 1 71 71 ASP H H 1 7.849 0.000 . . . . . . . . . . 7099 1 682 . 1 1 71 71 ASP HA H 1 5.044 0.000 . . . . . . . . . . 7099 1 683 . 1 1 71 71 ASP HB2 H 1 3.245 0.000 . . . . . . . . . . 7099 1 684 . 1 1 71 71 ASP HB3 H 1 2.835 0.000 . . . . . . . . . . 7099 1 685 . 1 1 71 71 ASP CA C 13 51.984 0.000 . . . . . . . . . . 7099 1 686 . 1 1 71 71 ASP CB C 13 41.851 0.000 . . . . . . . . . . 7099 1 687 . 1 1 71 71 ASP N N 15 119.342 0.000 . . . . . . . . . . 7099 1 688 . 1 1 72 72 SER H H 1 8.474 0.000 . . . . . . . . . . 7099 1 689 . 1 1 72 72 SER HA H 1 3.981 0.000 . . . . . . . . . . 7099 1 690 . 1 1 72 72 SER HB2 H 1 3.873 0.000 . . . . . . . . . . 7099 1 691 . 1 1 72 72 SER HB3 H 1 3.873 0.000 . . . . . . . . . . 7099 1 692 . 1 1 72 72 SER CA C 13 60.777 0.000 . . . . . . . . . . 7099 1 693 . 1 1 72 72 SER CB C 13 62.837 0.000 . . . . . . . . . . 7099 1 694 . 1 1 72 72 SER N N 15 119.674 0.000 . . . . . . . . . . 7099 1 695 . 1 1 73 73 THR H H 1 8.178 0.000 . . . . . . . . . . 7099 1 696 . 1 1 73 73 THR HA H 1 4.197 0.000 . . . . . . . . . . 7099 1 697 . 1 1 73 73 THR HB H 1 3.895 0.000 . . . . . . . . . . 7099 1 698 . 1 1 73 73 THR CA C 13 62.015 0.000 . . . . . . . . . . 7099 1 699 . 1 1 73 73 THR CB C 13 70.450 0.000 . . . . . . . . . . 7099 1 700 . 1 1 73 73 THR N N 15 110.718 0.000 . . . . . . . . . . 7099 1 701 . 1 1 74 74 LEU H H 1 6.605 0.000 . . . . . . . . . . 7099 1 702 . 1 1 74 74 LEU HA H 1 4.415 0.000 . . . . . . . . . . 7099 1 703 . 1 1 74 74 LEU HB2 H 1 1.405 0.000 . . . . . . . . . . 7099 1 704 . 1 1 74 74 LEU HB3 H 1 1.754 0.000 . . . . . . . . . . 7099 1 705 . 1 1 74 74 LEU HG H 1 1.275 0.000 . . . . . . . . . . 7099 1 706 . 1 1 74 74 LEU HD11 H 1 0.451 0.000 . . . . . . . . . . 7099 1 707 . 1 1 74 74 LEU HD12 H 1 0.451 0.000 . . . . . . . . . . 7099 1 708 . 1 1 74 74 LEU HD13 H 1 0.451 0.000 . . . . . . . . . . 7099 1 709 . 1 1 74 74 LEU HD21 H 1 0.418 0.000 . . . . . . . . . . 7099 1 710 . 1 1 74 74 LEU HD22 H 1 0.418 0.000 . . . . . . . . . . 7099 1 711 . 1 1 74 74 LEU HD23 H 1 0.418 0.000 . . . . . . . . . . 7099 1 712 . 1 1 74 74 LEU CA C 13 56.896 0.000 . . . . . . . . . . 7099 1 713 . 1 1 74 74 LEU CB C 13 43.266 0.000 . . . . . . . . . . 7099 1 714 . 1 1 74 74 LEU CG C 13 26.749 0.000 . . . . . . . . . . 7099 1 715 . 1 1 74 74 LEU CD1 C 13 27.357 0.000 . . . . . . . . . . 7099 1 716 . 1 1 74 74 LEU CD2 C 13 26.243 0.000 . . . . . . . . . . 7099 1 717 . 1 1 74 74 LEU N N 15 123.813 0.000 . . . . . . . . . . 7099 1 718 . 1 1 75 75 GLU H H 1 9.266 0.000 . . . . . . . . . . 7099 1 719 . 1 1 75 75 GLU HA H 1 4.515 0.000 . . . . . . . . . . 7099 1 720 . 1 1 75 75 GLU HB2 H 1 1.926 0.000 . . . . . . . . . . 7099 1 721 . 1 1 75 75 GLU HB3 H 1 1.730 0.000 . . . . . . . . . . 7099 1 722 . 1 1 75 75 GLU HG2 H 1 2.270 0.000 . . . . . . . . . . 7099 1 723 . 1 1 75 75 GLU HG3 H 1 2.211 0.000 . . . . . . . . . . 7099 1 724 . 1 1 75 75 GLU CA C 13 54.727 0.000 . . . . . . . . . . 7099 1 725 . 1 1 75 75 GLU CB C 13 33.678 0.000 . . . . . . . . . . 7099 1 726 . 1 1 75 75 GLU CG C 13 35.700 0.000 . . . . . . . . . . 7099 1 727 . 1 1 75 75 GLU N N 15 125.301 0.000 . . . . . . . . . . 7099 1 728 . 1 1 76 76 ILE H H 1 7.677 0.000 . . . . . . . . . . 7099 1 729 . 1 1 76 76 ILE HA H 1 4.863 0.000 . . . . . . . . . . 7099 1 730 . 1 1 76 76 ILE HB H 1 0.958 0.000 . . . . . . . . . . 7099 1 731 . 1 1 76 76 ILE HG12 H 1 0.496 0.000 . . . . . . . . . . 7099 1 732 . 1 1 76 76 ILE HG13 H 1 1.081 0.000 . . . . . . . . . . 7099 1 733 . 1 1 76 76 ILE HG21 H 1 0.244 0.000 . . . . . . . . . . 7099 1 734 . 1 1 76 76 ILE HG22 H 1 0.244 0.000 . . . . . . . . . . 7099 1 735 . 1 1 76 76 ILE HG23 H 1 0.244 0.000 . . . . . . . . . . 7099 1 736 . 1 1 76 76 ILE HD11 H 1 -0.293 0.000 . . . . . . . . . . 7099 1 737 . 1 1 76 76 ILE HD12 H 1 -0.293 0.000 . . . . . . . . . . 7099 1 738 . 1 1 76 76 ILE HD13 H 1 -0.293 0.000 . . . . . . . . . . 7099 1 739 . 1 1 76 76 ILE CA C 13 60.199 0.000 . . . . . . . . . . 7099 1 740 . 1 1 76 76 ILE CB C 13 39.759 0.000 . . . . . . . . . . 7099 1 741 . 1 1 76 76 ILE CG1 C 13 27.755 0.000 . . . . . . . . . . 7099 1 742 . 1 1 76 76 ILE CG2 C 13 17.154 0.000 . . . . . . . . . . 7099 1 743 . 1 1 76 76 ILE CD1 C 13 12.714 0.000 . . . . . . . . . . 7099 1 744 . 1 1 76 76 ILE N N 15 119.683 0.000 . . . . . . . . . . 7099 1 745 . 1 1 77 77 GLN H H 1 9.086 0.000 . . . . . . . . . . 7099 1 746 . 1 1 77 77 GLN HA H 1 4.992 0.000 . . . . . . . . . . 7099 1 747 . 1 1 77 77 GLN HG2 H 1 2.249 0.000 . . . . . . . . . . 7099 1 748 . 1 1 77 77 GLN HG3 H 1 2.172 0.000 . . . . . . . . . . 7099 1 749 . 1 1 77 77 GLN CA C 13 51.941 0.000 . . . . . . . . . . 7099 1 750 . 1 1 77 77 GLN CB C 13 31.014 0.000 . . . . . . . . . . 7099 1 751 . 1 1 77 77 GLN CG C 13 32.798 0.000 . . . . . . . . . . 7099 1 752 . 1 1 77 77 GLN N N 15 127.300 0.000 . . . . . . . . . . 7099 1 753 . 1 1 78 78 PRO HA H 1 4.675 0.000 . . . . . . . . . . 7099 1 754 . 1 1 78 78 PRO HB2 H 1 2.306 0.000 . . . . . . . . . . 7099 1 755 . 1 1 78 78 PRO HG2 H 1 2.000 0.000 . . . . . . . . . . 7099 1 756 . 1 1 78 78 PRO HD2 H 1 3.727 0.000 . . . . . . . . . . 7099 1 757 . 1 1 78 78 PRO CA C 13 62.325 0.000 . . . . . . . . . . 7099 1 758 . 1 1 78 78 PRO CB C 13 32.174 0.000 . . . . . . . . . . 7099 1 759 . 1 1 78 78 PRO CG C 13 27.239 0.000 . . . . . . . . . . 7099 1 760 . 1 1 78 78 PRO CD C 13 50.494 0.000 . . . . . . . . . . 7099 1 761 . 1 1 79 79 MET H H 1 8.324 0.000 . . . . . . . . . . 7099 1 762 . 1 1 79 79 MET HA H 1 4.308 0.000 . . . . . . . . . . 7099 1 763 . 1 1 79 79 MET HB2 H 1 1.769 0.000 . . . . . . . . . . 7099 1 764 . 1 1 79 79 MET HB3 H 1 1.955 0.000 . . . . . . . . . . 7099 1 765 . 1 1 79 79 MET HG2 H 1 2.377 0.000 . . . . . . . . . . 7099 1 766 . 1 1 79 79 MET HG3 H 1 2.397 0.000 . . . . . . . . . . 7099 1 767 . 1 1 79 79 MET CA C 13 55.955 0.000 . . . . . . . . . . 7099 1 768 . 1 1 79 79 MET CB C 13 32.943 0.000 . . . . . . . . . . 7099 1 769 . 1 1 79 79 MET CG C 13 32.202 0.000 . . . . . . . . . . 7099 1 770 . 1 1 79 79 MET N N 15 119.069 0.000 . . . . . . . . . . 7099 1 771 . 1 1 80 80 ILE H H 1 8.016 0.000 . . . . . . . . . . 7099 1 772 . 1 1 80 80 ILE HA H 1 4.143 0.000 . . . . . . . . . . 7099 1 773 . 1 1 80 80 ILE HB H 1 1.727 0.000 . . . . . . . . . . 7099 1 774 . 1 1 80 80 ILE HG12 H 1 1.385 0.000 . . . . . . . . . . 7099 1 775 . 1 1 80 80 ILE HG13 H 1 1.385 0.000 . . . . . . . . . . 7099 1 776 . 1 1 80 80 ILE HG21 H 1 1.090 0.000 . . . . . . . . . . 7099 1 777 . 1 1 80 80 ILE HG22 H 1 1.090 0.000 . . . . . . . . . . 7099 1 778 . 1 1 80 80 ILE HG23 H 1 1.090 0.000 . . . . . . . . . . 7099 1 779 . 1 1 80 80 ILE HD11 H 1 0.766 0.000 . . . . . . . . . . 7099 1 780 . 1 1 80 80 ILE HD12 H 1 0.766 0.000 . . . . . . . . . . 7099 1 781 . 1 1 80 80 ILE HD13 H 1 0.766 0.000 . . . . . . . . . . 7099 1 782 . 1 1 80 80 ILE CA C 13 60.315 0.000 . . . . . . . . . . 7099 1 783 . 1 1 80 80 ILE CB C 13 38.790 0.000 . . . . . . . . . . 7099 1 784 . 1 1 80 80 ILE CD1 C 13 17.319 0.000 . . . . . . . . . . 7099 1 785 . 1 1 80 80 ILE N N 15 123.121 0.000 . . . . . . . . . . 7099 1 786 . 1 1 81 81 VAL H H 1 8.326 0.000 . . . . . . . . . . 7099 1 787 . 1 1 81 81 VAL HA H 1 4.147 0.000 . . . . . . . . . . 7099 1 788 . 1 1 81 81 VAL HB H 1 2.014 0.000 . . . . . . . . . . 7099 1 789 . 1 1 81 81 VAL HG11 H 1 0.767 0.000 . . . . . . . . . . 7099 1 790 . 1 1 81 81 VAL HG12 H 1 0.767 0.000 . . . . . . . . . . 7099 1 791 . 1 1 81 81 VAL HG13 H 1 0.767 0.000 . . . . . . . . . . 7099 1 792 . 1 1 81 81 VAL HG21 H 1 0.867 0.000 . . . . . . . . . . 7099 1 793 . 1 1 81 81 VAL HG22 H 1 0.867 0.000 . . . . . . . . . . 7099 1 794 . 1 1 81 81 VAL HG23 H 1 0.867 0.000 . . . . . . . . . . 7099 1 795 . 1 1 81 81 VAL CA C 13 59.617 0.000 . . . . . . . . . . 7099 1 796 . 1 1 81 81 VAL CB C 13 32.531 0.000 . . . . . . . . . . 7099 1 797 . 1 1 81 81 VAL N N 15 127.590 0.000 . . . . . . . . . . 7099 1 798 . 1 1 82 82 PRO HA H 1 4.420 0.000 . . . . . . . . . . 7099 1 799 . 1 1 82 82 PRO HB2 H 1 2.245 0.000 . . . . . . . . . . 7099 1 800 . 1 1 82 82 PRO HG2 H 1 1.983 0.000 . . . . . . . . . . 7099 1 801 . 1 1 82 82 PRO HD2 H 1 3.846 0.000 . . . . . . . . . . 7099 1 802 . 1 1 82 82 PRO CA C 13 63.039 0.000 . . . . . . . . . . 7099 1 803 . 1 1 82 82 PRO CB C 13 32.246 0.000 . . . . . . . . . . 7099 1 804 . 1 1 82 82 PRO CG C 13 27.350 0.000 . . . . . . . . . . 7099 1 805 . 1 1 82 82 PRO CD C 13 51.136 0.000 . . . . . . . . . . 7099 1 806 . 1 1 83 83 THR H H 1 8.239 0.000 . . . . . . . . . . 7099 1 807 . 1 1 83 83 THR HA H 1 4.640 0.000 . . . . . . . . . . 7099 1 808 . 1 1 83 83 THR HB H 1 4.424 0.000 . . . . . . . . . . 7099 1 809 . 1 1 83 83 THR HG21 H 1 1.167 0.000 . . . . . . . . . . 7099 1 810 . 1 1 83 83 THR HG22 H 1 1.167 0.000 . . . . . . . . . . 7099 1 811 . 1 1 83 83 THR HG23 H 1 1.167 0.000 . . . . . . . . . . 7099 1 812 . 1 1 83 83 THR CA C 13 61.616 0.000 . . . . . . . . . . 7099 1 813 . 1 1 83 83 THR CB C 13 69.901 0.000 . . . . . . . . . . 7099 1 814 . 1 1 83 83 THR N N 15 115.125 0.000 . . . . . . . . . . 7099 1 815 . 1 1 84 84 THR H H 1 8.168 0.000 . . . . . . . . . . 7099 1 816 . 1 1 84 84 THR HA H 1 4.448 0.000 . . . . . . . . . . 7099 1 817 . 1 1 84 84 THR CA C 13 61.674 0.000 . . . . . . . . . . 7099 1 818 . 1 1 84 84 THR CB C 13 70.700 0.000 . . . . . . . . . . 7099 1 819 . 1 1 84 84 THR N N 15 116.528 0.000 . . . . . . . . . . 7099 1 820 . 1 1 85 85 GLU H H 1 7.980 0.000 . . . . . . . . . . 7099 1 821 . 1 1 85 85 GLU HA H 1 4.034 0.000 . . . . . . . . . . 7099 1 822 . 1 1 85 85 GLU HG2 H 1 2.323 0.000 . . . . . . . . . . 7099 1 823 . 1 1 85 85 GLU HG3 H 1 2.389 0.000 . . . . . . . . . . 7099 1 824 . 1 1 85 85 GLU CA C 13 57.963 0.000 . . . . . . . . . . 7099 1 825 . 1 1 85 85 GLU CB C 13 30.977 0.000 . . . . . . . . . . 7099 1 826 . 1 1 85 85 GLU CG C 13 33.678 0.000 . . . . . . . . . . 7099 1 827 . 1 1 85 85 GLU N N 15 128.187 0.000 . . . . . . . . . . 7099 1 stop_ save_