data_16562 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16562 _Entry.Title ; SOLUTION NMR STRUCTURE OF DE NOVO DESIGNED ROSSMANN 2x2 FOLD PROTEIN, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR16 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-17 _Entry.Accession_date 2009-10-17 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gaohua Liu . . . 16562 2 Nobuyasu Koga . . . 16562 3 Rie Koga . . . 16562 4 Rong Xiao . . . 16562 5 C. CICCOSANTI . . . 16562 6 Thomas Acton . B. . 16562 7 David Baker . . . 16562 8 Gaetano Montelione . T. . 16562 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 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16562 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16562 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 497 16562 '15N chemical shifts' 115 16562 '1H chemical shifts' 818 16562 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 3 . . 2012-07-03 2009-10-17 update BMRB 'edit entity/assembly name' 16562 2 . . 2010-05-28 2009-10-17 update BMRB 'edit entity/assembly name' 16562 1 . . 2009-11-02 2009-10-17 original author 'original release' 16562 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18558 'RDC and peaklist data' 16562 PDB 2KPO 'BMRB Entry Tracking System' 16562 PDB 2LV8 'NMR structure refined with RDC data' 16562 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16562 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'SOLUTION NMR STRUCTURE OF DENOVO DESIGNED ROSSMANN 2x2 FOLD PROTEIN, NORTHEAST STRUCTURAL GENOMICS CONSORTIUM TARGET OR16' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _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 . _Citation.Page_last . _Citation.Year . _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 Gaohua Liu . . . 16562 1 2 Nobuyasu Koga . . . 16562 1 3 David Baker . . . 16562 1 4 Gaetano Montelione . . . 16562 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16562 _Assembly.ID 1 _Assembly.Name 'ROSSMANN 2x2 FOLD 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 OR16 1 $entity A . yes native no no . . . 16562 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16562 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 2x2 _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 ; MLLYVLIISNDKKLIEEARK MAEKANLELRTVKTEDELKK YLEEFRKESQNIKVLILVSN DEELDKAKELAQKMEIDVRT RKVTSPDEAKRWIKEFSEEG GSLEHHHHHH ; _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 110 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13078.123 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 18558 . OR16 . . . . . 100.00 110 100.00 100.00 4.83e-70 . . . . 16562 1 2 no PDB 2KPO . "Solution Nmr Structure Of De Novo Designed Rossmann 2x2 Fold Protein, Northeast Structural Genomics Consortium Target Or16" . . . . . 100.00 110 100.00 100.00 4.83e-70 . . . . 16562 1 3 no PDB 2LV8 . "Solution Nmr Structure De Novo Designed Rossmann 2x2 Fold Protein, Northeast Structural Genomics Consortium (nesg) Target Or16" . . . . . 100.00 110 100.00 100.00 4.83e-70 . . . . 16562 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16562 1 2 . LEU . 16562 1 3 . LEU . 16562 1 4 . TYR . 16562 1 5 . VAL . 16562 1 6 . LEU . 16562 1 7 . ILE . 16562 1 8 . ILE . 16562 1 9 . SER . 16562 1 10 . ASN . 16562 1 11 . ASP . 16562 1 12 . LYS . 16562 1 13 . LYS . 16562 1 14 . LEU . 16562 1 15 . ILE . 16562 1 16 . GLU . 16562 1 17 . GLU . 16562 1 18 . ALA . 16562 1 19 . ARG . 16562 1 20 . LYS . 16562 1 21 . MET . 16562 1 22 . ALA . 16562 1 23 . GLU . 16562 1 24 . LYS . 16562 1 25 . ALA . 16562 1 26 . ASN . 16562 1 27 . LEU . 16562 1 28 . GLU . 16562 1 29 . LEU . 16562 1 30 . ARG . 16562 1 31 . THR . 16562 1 32 . VAL . 16562 1 33 . LYS . 16562 1 34 . THR . 16562 1 35 . GLU . 16562 1 36 . ASP . 16562 1 37 . GLU . 16562 1 38 . LEU . 16562 1 39 . LYS . 16562 1 40 . LYS . 16562 1 41 . TYR . 16562 1 42 . LEU . 16562 1 43 . GLU . 16562 1 44 . GLU . 16562 1 45 . PHE . 16562 1 46 . ARG . 16562 1 47 . LYS . 16562 1 48 . GLU . 16562 1 49 . SER . 16562 1 50 . GLN . 16562 1 51 . ASN . 16562 1 52 . ILE . 16562 1 53 . LYS . 16562 1 54 . VAL . 16562 1 55 . LEU . 16562 1 56 . ILE . 16562 1 57 . LEU . 16562 1 58 . VAL . 16562 1 59 . SER . 16562 1 60 . ASN . 16562 1 61 . ASP . 16562 1 62 . GLU . 16562 1 63 . GLU . 16562 1 64 . LEU . 16562 1 65 . ASP . 16562 1 66 . LYS . 16562 1 67 . ALA . 16562 1 68 . LYS . 16562 1 69 . GLU . 16562 1 70 . LEU . 16562 1 71 . ALA . 16562 1 72 . GLN . 16562 1 73 . LYS . 16562 1 74 . MET . 16562 1 75 . GLU . 16562 1 76 . ILE . 16562 1 77 . ASP . 16562 1 78 . VAL . 16562 1 79 . ARG . 16562 1 80 . THR . 16562 1 81 . ARG . 16562 1 82 . LYS . 16562 1 83 . VAL . 16562 1 84 . THR . 16562 1 85 . SER . 16562 1 86 . PRO . 16562 1 87 . ASP . 16562 1 88 . GLU . 16562 1 89 . ALA . 16562 1 90 . LYS . 16562 1 91 . ARG . 16562 1 92 . TRP . 16562 1 93 . ILE . 16562 1 94 . LYS . 16562 1 95 . GLU . 16562 1 96 . PHE . 16562 1 97 . SER . 16562 1 98 . GLU . 16562 1 99 . GLU . 16562 1 100 . GLY . 16562 1 101 . GLY . 16562 1 102 . SER . 16562 1 103 . LEU . 16562 1 104 . GLU . 16562 1 105 . HIS . 16562 1 106 . HIS . 16562 1 107 . HIS . 16562 1 108 . HIS . 16562 1 109 . HIS . 16562 1 110 . HIS . 16562 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16562 1 . LEU 2 2 16562 1 . LEU 3 3 16562 1 . TYR 4 4 16562 1 . VAL 5 5 16562 1 . LEU 6 6 16562 1 . ILE 7 7 16562 1 . ILE 8 8 16562 1 . SER 9 9 16562 1 . ASN 10 10 16562 1 . ASP 11 11 16562 1 . LYS 12 12 16562 1 . LYS 13 13 16562 1 . LEU 14 14 16562 1 . ILE 15 15 16562 1 . GLU 16 16 16562 1 . GLU 17 17 16562 1 . ALA 18 18 16562 1 . ARG 19 19 16562 1 . LYS 20 20 16562 1 . MET 21 21 16562 1 . ALA 22 22 16562 1 . GLU 23 23 16562 1 . LYS 24 24 16562 1 . ALA 25 25 16562 1 . ASN 26 26 16562 1 . LEU 27 27 16562 1 . GLU 28 28 16562 1 . LEU 29 29 16562 1 . ARG 30 30 16562 1 . THR 31 31 16562 1 . VAL 32 32 16562 1 . LYS 33 33 16562 1 . THR 34 34 16562 1 . GLU 35 35 16562 1 . ASP 36 36 16562 1 . GLU 37 37 16562 1 . LEU 38 38 16562 1 . LYS 39 39 16562 1 . LYS 40 40 16562 1 . TYR 41 41 16562 1 . LEU 42 42 16562 1 . GLU 43 43 16562 1 . GLU 44 44 16562 1 . PHE 45 45 16562 1 . ARG 46 46 16562 1 . LYS 47 47 16562 1 . GLU 48 48 16562 1 . SER 49 49 16562 1 . GLN 50 50 16562 1 . ASN 51 51 16562 1 . ILE 52 52 16562 1 . LYS 53 53 16562 1 . VAL 54 54 16562 1 . LEU 55 55 16562 1 . ILE 56 56 16562 1 . LEU 57 57 16562 1 . VAL 58 58 16562 1 . SER 59 59 16562 1 . ASN 60 60 16562 1 . ASP 61 61 16562 1 . GLU 62 62 16562 1 . GLU 63 63 16562 1 . LEU 64 64 16562 1 . ASP 65 65 16562 1 . LYS 66 66 16562 1 . ALA 67 67 16562 1 . LYS 68 68 16562 1 . GLU 69 69 16562 1 . LEU 70 70 16562 1 . ALA 71 71 16562 1 . GLN 72 72 16562 1 . LYS 73 73 16562 1 . MET 74 74 16562 1 . GLU 75 75 16562 1 . ILE 76 76 16562 1 . ASP 77 77 16562 1 . VAL 78 78 16562 1 . ARG 79 79 16562 1 . THR 80 80 16562 1 . ARG 81 81 16562 1 . LYS 82 82 16562 1 . VAL 83 83 16562 1 . THR 84 84 16562 1 . SER 85 85 16562 1 . PRO 86 86 16562 1 . ASP 87 87 16562 1 . GLU 88 88 16562 1 . ALA 89 89 16562 1 . LYS 90 90 16562 1 . ARG 91 91 16562 1 . TRP 92 92 16562 1 . ILE 93 93 16562 1 . LYS 94 94 16562 1 . GLU 95 95 16562 1 . PHE 96 96 16562 1 . SER 97 97 16562 1 . GLU 98 98 16562 1 . GLU 99 99 16562 1 . GLY 100 100 16562 1 . GLY 101 101 16562 1 . SER 102 102 16562 1 . LEU 103 103 16562 1 . GLU 104 104 16562 1 . HIS 105 105 16562 1 . HIS 106 106 16562 1 . HIS 107 107 16562 1 . HIS 108 108 16562 1 . HIS 109 109 16562 1 . HIS 110 110 16562 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 16562 _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 $entity . . 'no natural source' . designed . . . . . . . . . . . . . . . . . . . . . . . . . 'de novo designed protein' . . 16562 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 16562 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET29b+ . . . 'C Tag Sequence: LEHHHHHH' . . 16562 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16562 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NMR 6.5-200 mM NaCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.859 . . mM . . . . 16562 1 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16562 1 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16562 1 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16562 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16562 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'NMR 6.5-200 mM NaCl' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 entity '[U-10% 13C; U-100% 15N]' . . 1 $entity . . 0.867 . . mM . . . . 16562 2 2 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16562 2 3 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16562 2 4 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16562 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 16562 _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' 200 . mM 16562 1 pH 6.5 . pH 16562 1 pressure 1 . atm 16562 1 temperature 298 . K 16562 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16562 _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' . . 16562 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16562 1 refinement 16562 1 'structure solution' 16562 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16562 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16562 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16562 2 refinement 16562 2 'structure solution' 16562 2 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16562 _Software.ID 3 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16562 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16562 3 'geometry optimization' 16562 3 refinement 16562 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16562 _Software.ID 4 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16562 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16562 4 'data analysis' 16562 4 'peak picking' 16562 4 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16562 _Software.ID 5 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16562 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16562 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16562 _Software.ID 6 _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' . . 16562 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16562 6 stop_ save_ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 16562 _Software.ID 7 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 16562 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16562 7 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16562 _Software.ID 8 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16562 8 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16562 8 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 16562 _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_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16562 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16562 _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 . . . 16562 1 2 spectrometer_2 Varian INOVA . 600 . . . 16562 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 16562 _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' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16562 1 2 '2D 1H-13C HSQC aliphatic' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16562 1 3 '3D CBCA(CO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16562 1 4 '3D HNCACB' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16562 1 5 '3D H(CCO)NH' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16562 1 6 'GFT (4,3)D HABCABcoNHN' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16562 1 7 'SIMUTANEOUS 1H, 15N, 13C NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16562 1 8 '3D CCHTOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16562 1 9 '2D 1H-13C HSQC aromatic' yes . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16562 1 10 'AROMATIC 1H, 15N, 13C NOESY' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16562 1 11 '3D HNCO' yes . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16562 1 stop_ save_ save_NMR_spectrometer_expt_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_1 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/NHSQC_long_brk800/ . . . . . . . 16562 1 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/NHSQC_long_brk800/ . . . . . . . 16562 1 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/NHSQC_long_brk800/ . . . . . . . 16562 1 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/NHSQC_long_brk800/ . . . . . . . 16562 1 stop_ save_ save_NMR_spectrometer_expt_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_2 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '2D 1H-13C HSQC aliphatic' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CT_aliCHSQC_brk800/ . . . . . . . 16562 2 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CT_aliCHSQC_brk800/ . . . . . . . 16562 2 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CT_aliCHSQC_brk800/ . . . . . . . 16562 2 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CT_aliCHSQC_brk800/ . . . . . . . 16562 2 stop_ save_ save_NMR_spectrometer_expt_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_3 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D 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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CBCAcoNH_var600/ . . . . . . . 16562 3 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CBCAcoNH_var600/ . . . . . . . 16562 3 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CBCAcoNH_var600/ . . . . . . . 16562 3 stop_ save_ save_NMR_spectrometer_expt_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_4 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/HNCACB_var600/ . . . . . . . 16562 4 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/HNCACB_var600/ . . . . . . . 16562 4 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/HNCACB_var600/ . . . . . . . 16562 4 stop_ save_ save_NMR_spectrometer_expt_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_5 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D H(CCO)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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CCcoNH_TOCSY_var600/ . . . . . . . 16562 5 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CCcoNH_TOCSY_var600/ . . . . . . . 16562 5 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CCcoNH_TOCSY_var600/ . . . . . . . 16562 5 stop_ save_ save_NMR_spectrometer_expt_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_6 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 'GFT (4,3)D HABCABcoNHN' _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID fid 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/GFT_habcabconh_var600/ . . . . . . . 16562 6 procpar 'processing parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/GFT_habcabconh_var600/ . . . . . . . 16562 6 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/GFT_habcabconh_var600/ . . . . . . . 16562 6 stop_ save_ save_NMR_spectrometer_expt_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_7 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 'SIMUTANEOUS 1H, 15N, 13C 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/simnoesy_brk800/ . . . . . . . 16562 7 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/simnoesy_brk800/ . . . . . . . 16562 7 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/simnoesy_brk800/ . . . . . . . 16562 7 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/simnoesy_brk800/ . . . . . . . 16562 7 stop_ save_ save_NMR_spectrometer_expt_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_8 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '2D 1H-13C HSQC aromatic' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CT_aroCHSQC_brk800/ . . . . . . . 16562 8 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CT_aroCHSQC_brk800/ . . . . . . . 16562 8 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CT_aroCHSQC_brk800/ . . . . . . . 16562 8 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/CT_aroCHSQC_brk800/ . . . . . . . 16562 8 stop_ save_ save_NMR_spectrometer_expt_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_9 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 'AROMATIC 1H, 15N, 13C 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/aronoesy_brk800/ . . . . . . . 16562 9 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/aronoesy_brk800/ . . . . . . . 16562 9 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/aronoesy_brk800/ . . . . . . . 16562 9 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/aronoesy_brk800/ . . . . . . . 16562 9 stop_ save_ save_NMR_spectrometer_expt_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt_10 _NMR_spec_expt.Entry_ID 16562 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D HNCO' _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 2 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_2 _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 . loop_ _NMR_experiment_file.Name _NMR_experiment_file.Type _NMR_experiment_file.Directory_path _NMR_experiment_file.Byte_order _NMR_experiment_file.Bytes_per_data_point _NMR_experiment_file.File_header_size _NMR_experiment_file.Record_header_size _NMR_experiment_file.Record_trailer_size _NMR_experiment_file.Compression_algorithm _NMR_experiment_file.Details _NMR_experiment_file.Entry_ID _NMR_experiment_file.NMR_spec_expt_ID acqus 'acquisition parameters' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/HNCO_var600/ . . . . . . . 16562 10 pulseprogram 'pulse program' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/HNCO_var600/ . . . . . . . 16562 10 ser 'raw spectral data' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/HNCO_var600/ . . . . . . . 16562 10 . 'NMR Experiment Directory' http://www.bmrb.wisc.edu/ftp/pub/bmrb/timedomain/bmr16562/timedomain_data/raw_bmrb16562/raw_fid/HNCO_var600/ . . . . . . . 16562 10 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 16562 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 16562 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16562 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16562 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 16562 _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 3 '3D CBCA(CO)NH' . . . 16562 1 4 '3D HNCACB' . . . 16562 1 7 'SIMUTANEOUS 1H, 15N, 13C NOESY' . . . 16562 1 8 '3D CCHTOCSY' . . . 16562 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 8 $AutoAssign . . 16562 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.157 0.020 . 1 . . . . 1 MET HA . 16562 1 2 . 1 1 1 1 MET HB2 H 1 1.941 0.020 . 2 . . . . 1 MET HB2 . 16562 1 3 . 1 1 1 1 MET HB3 H 1 2.002 0.020 . 2 . . . . 1 MET HB3 . 16562 1 4 . 1 1 1 1 MET HE1 H 1 1.976 0.020 . 1 . . . . 1 MET HE1 . 16562 1 5 . 1 1 1 1 MET HE2 H 1 1.976 0.020 . 1 . . . . 1 MET HE2 . 16562 1 6 . 1 1 1 1 MET HE3 H 1 1.976 0.020 . 1 . . . . 1 MET HE3 . 16562 1 7 . 1 1 1 1 MET HG2 H 1 2.198 0.020 . 2 . . . . 1 MET HG2 . 16562 1 8 . 1 1 1 1 MET HG3 H 1 2.418 0.020 . 2 . . . . 1 MET HG3 . 16562 1 9 . 1 1 1 1 MET C C 13 171.767 0.400 . 1 . . . . 1 MET C . 16562 1 10 . 1 1 1 1 MET CA C 13 54.505 0.400 . 1 . . . . 1 MET CA . 16562 1 11 . 1 1 1 1 MET CB C 13 32.613 0.400 . 1 . . . . 1 MET CB . 16562 1 12 . 1 1 1 1 MET CE C 13 16.186 0.400 . 1 . . . . 1 MET CE . 16562 1 13 . 1 1 1 1 MET CG C 13 30.512 0.400 . 1 . . . . 1 MET CG . 16562 1 14 . 1 1 2 2 LEU H H 1 8.509 0.020 . 1 . . . . 2 LEU H . 16562 1 15 . 1 1 2 2 LEU HA H 1 4.463 0.020 . 1 . . . . 2 LEU HA . 16562 1 16 . 1 1 2 2 LEU HB2 H 1 1.701 0.020 . 2 . . . . 2 LEU HB2 . 16562 1 17 . 1 1 2 2 LEU HB3 H 1 1.332 0.020 . 2 . . . . 2 LEU HB3 . 16562 1 18 . 1 1 2 2 LEU HD11 H 1 0.882 0.020 . 2 . . . . 2 LEU HD11 . 16562 1 19 . 1 1 2 2 LEU HD12 H 1 0.882 0.020 . 2 . . . . 2 LEU HD12 . 16562 1 20 . 1 1 2 2 LEU HD13 H 1 0.882 0.020 . 2 . . . . 2 LEU HD13 . 16562 1 21 . 1 1 2 2 LEU HD21 H 1 0.808 0.020 . 2 . . . . 2 LEU HD21 . 16562 1 22 . 1 1 2 2 LEU HD22 H 1 0.808 0.020 . 2 . . . . 2 LEU HD22 . 16562 1 23 . 1 1 2 2 LEU HD23 H 1 0.808 0.020 . 2 . . . . 2 LEU HD23 . 16562 1 24 . 1 1 2 2 LEU HG H 1 1.515 0.020 . 1 . . . . 2 LEU HG . 16562 1 25 . 1 1 2 2 LEU C C 13 173.944 0.400 . 1 . . . . 2 LEU C . 16562 1 26 . 1 1 2 2 LEU CA C 13 54.471 0.400 . 1 . . . . 2 LEU CA . 16562 1 27 . 1 1 2 2 LEU CB C 13 43.595 0.400 . 1 . . . . 2 LEU CB . 16562 1 28 . 1 1 2 2 LEU CD1 C 13 24.800 0.400 . 1 . . . . 2 LEU CD1 . 16562 1 29 . 1 1 2 2 LEU CD2 C 13 23.489 0.400 . 1 . . . . 2 LEU CD2 . 16562 1 30 . 1 1 2 2 LEU CG C 13 26.799 0.400 . 1 . . . . 2 LEU CG . 16562 1 31 . 1 1 2 2 LEU N N 15 127.160 0.400 . 1 . . . . 2 LEU N . 16562 1 32 . 1 1 3 3 LEU H H 1 7.844 0.020 . 1 . . . . 3 LEU H . 16562 1 33 . 1 1 3 3 LEU HA H 1 5.128 0.020 . 1 . . . . 3 LEU HA . 16562 1 34 . 1 1 3 3 LEU HB2 H 1 1.553 0.020 . 2 . . . . 3 LEU HB2 . 16562 1 35 . 1 1 3 3 LEU HB3 H 1 1.149 0.020 . 2 . . . . 3 LEU HB3 . 16562 1 36 . 1 1 3 3 LEU HD11 H 1 0.463 0.020 . 2 . . . . 3 LEU HD11 . 16562 1 37 . 1 1 3 3 LEU HD12 H 1 0.463 0.020 . 2 . . . . 3 LEU HD12 . 16562 1 38 . 1 1 3 3 LEU HD13 H 1 0.463 0.020 . 2 . . . . 3 LEU HD13 . 16562 1 39 . 1 1 3 3 LEU HD21 H 1 0.259 0.020 . 2 . . . . 3 LEU HD21 . 16562 1 40 . 1 1 3 3 LEU HD22 H 1 0.259 0.020 . 2 . . . . 3 LEU HD22 . 16562 1 41 . 1 1 3 3 LEU HD23 H 1 0.259 0.020 . 2 . . . . 3 LEU HD23 . 16562 1 42 . 1 1 3 3 LEU HG H 1 1.298 0.020 . 1 . . . . 3 LEU HG . 16562 1 43 . 1 1 3 3 LEU C C 13 175.423 0.400 . 1 . . . . 3 LEU C . 16562 1 44 . 1 1 3 3 LEU CA C 13 53.566 0.400 . 1 . . . . 3 LEU CA . 16562 1 45 . 1 1 3 3 LEU CB C 13 44.039 0.400 . 1 . . . . 3 LEU CB . 16562 1 46 . 1 1 3 3 LEU CD1 C 13 24.708 0.400 . 1 . . . . 3 LEU CD1 . 16562 1 47 . 1 1 3 3 LEU CD2 C 13 24.148 0.400 . 1 . . . . 3 LEU CD2 . 16562 1 48 . 1 1 3 3 LEU CG C 13 27.696 0.400 . 1 . . . . 3 LEU CG . 16562 1 49 . 1 1 3 3 LEU N N 15 122.555 0.400 . 1 . . . . 3 LEU N . 16562 1 50 . 1 1 4 4 TYR H H 1 8.360 0.020 . 1 . . . . 4 TYR H . 16562 1 51 . 1 1 4 4 TYR HA H 1 5.143 0.020 . 1 . . . . 4 TYR HA . 16562 1 52 . 1 1 4 4 TYR HB2 H 1 2.291 0.020 . 2 . . . . 4 TYR HB2 . 16562 1 53 . 1 1 4 4 TYR HB3 H 1 2.458 0.020 . 2 . . . . 4 TYR HB3 . 16562 1 54 . 1 1 4 4 TYR HD1 H 1 6.435 0.020 . 1 . . . . 4 TYR HD1 . 16562 1 55 . 1 1 4 4 TYR HD2 H 1 6.435 0.020 . 1 . . . . 4 TYR HD2 . 16562 1 56 . 1 1 4 4 TYR HE1 H 1 6.447 0.020 . 1 . . . . 4 TYR HE1 . 16562 1 57 . 1 1 4 4 TYR HE2 H 1 6.447 0.020 . 1 . . . . 4 TYR HE2 . 16562 1 58 . 1 1 4 4 TYR C C 13 174.481 0.400 . 1 . . . . 4 TYR C . 16562 1 59 . 1 1 4 4 TYR CA C 13 56.577 0.400 . 1 . . . . 4 TYR CA . 16562 1 60 . 1 1 4 4 TYR CB C 13 43.840 0.400 . 1 . . . . 4 TYR CB . 16562 1 61 . 1 1 4 4 TYR CD1 C 13 132.249 0.400 . 1 . . . . 4 TYR CD1 . 16562 1 62 . 1 1 4 4 TYR CD2 C 13 132.249 0.400 . 1 . . . . 4 TYR CD2 . 16562 1 63 . 1 1 4 4 TYR CE1 C 13 118.153 0.400 . 1 . . . . 4 TYR CE1 . 16562 1 64 . 1 1 4 4 TYR CE2 C 13 118.201 0.400 . 1 . . . . 4 TYR CE2 . 16562 1 65 . 1 1 4 4 TYR N N 15 119.315 0.400 . 1 . . . . 4 TYR N . 16562 1 66 . 1 1 5 5 VAL H H 1 8.918 0.020 . 1 . . . . 5 VAL H . 16562 1 67 . 1 1 5 5 VAL HA H 1 5.106 0.020 . 1 . . . . 5 VAL HA . 16562 1 68 . 1 1 5 5 VAL HB H 1 1.861 0.020 . 1 . . . . 5 VAL HB . 16562 1 69 . 1 1 5 5 VAL HG11 H 1 0.726 0.020 . 2 . . . . 5 VAL HG11 . 16562 1 70 . 1 1 5 5 VAL HG12 H 1 0.726 0.020 . 2 . . . . 5 VAL HG12 . 16562 1 71 . 1 1 5 5 VAL HG13 H 1 0.726 0.020 . 2 . . . . 5 VAL HG13 . 16562 1 72 . 1 1 5 5 VAL HG21 H 1 0.947 0.020 . 2 . . . . 5 VAL HG21 . 16562 1 73 . 1 1 5 5 VAL HG22 H 1 0.947 0.020 . 2 . . . . 5 VAL HG22 . 16562 1 74 . 1 1 5 5 VAL HG23 H 1 0.947 0.020 . 2 . . . . 5 VAL HG23 . 16562 1 75 . 1 1 5 5 VAL C C 13 174.042 0.400 . 1 . . . . 5 VAL C . 16562 1 76 . 1 1 5 5 VAL CA C 13 59.852 0.400 . 1 . . . . 5 VAL CA . 16562 1 77 . 1 1 5 5 VAL CB C 13 33.816 0.400 . 1 . . . . 5 VAL CB . 16562 1 78 . 1 1 5 5 VAL CG1 C 13 20.798 0.400 . 1 . . . . 5 VAL CG1 . 16562 1 79 . 1 1 5 5 VAL CG2 C 13 22.186 0.400 . 1 . . . . 5 VAL CG2 . 16562 1 80 . 1 1 5 5 VAL N N 15 119.952 0.400 . 1 . . . . 5 VAL N . 16562 1 81 . 1 1 6 6 LEU H H 1 9.315 0.020 . 1 . . . . 6 LEU H . 16562 1 82 . 1 1 6 6 LEU HA H 1 5.466 0.020 . 1 . . . . 6 LEU HA . 16562 1 83 . 1 1 6 6 LEU HB2 H 1 1.179 0.020 . 2 . . . . 6 LEU HB2 . 16562 1 84 . 1 1 6 6 LEU HB3 H 1 1.648 0.020 . 2 . . . . 6 LEU HB3 . 16562 1 85 . 1 1 6 6 LEU HD11 H 1 0.770 0.020 . 2 . . . . 6 LEU HD11 . 16562 1 86 . 1 1 6 6 LEU HD12 H 1 0.770 0.020 . 2 . . . . 6 LEU HD12 . 16562 1 87 . 1 1 6 6 LEU HD13 H 1 0.770 0.020 . 2 . . . . 6 LEU HD13 . 16562 1 88 . 1 1 6 6 LEU HD21 H 1 0.686 0.020 . 2 . . . . 6 LEU HD21 . 16562 1 89 . 1 1 6 6 LEU HD22 H 1 0.686 0.020 . 2 . . . . 6 LEU HD22 . 16562 1 90 . 1 1 6 6 LEU HD23 H 1 0.686 0.020 . 2 . . . . 6 LEU HD23 . 16562 1 91 . 1 1 6 6 LEU HG H 1 1.525 0.020 . 1 . . . . 6 LEU HG . 16562 1 92 . 1 1 6 6 LEU C C 13 175.049 0.400 . 1 . . . . 6 LEU C . 16562 1 93 . 1 1 6 6 LEU CA C 13 52.090 0.400 . 1 . . . . 6 LEU CA . 16562 1 94 . 1 1 6 6 LEU CB C 13 44.103 0.400 . 1 . . . . 6 LEU CB . 16562 1 95 . 1 1 6 6 LEU CD1 C 13 25.583 0.400 . 1 . . . . 6 LEU CD1 . 16562 1 96 . 1 1 6 6 LEU CD2 C 13 24.213 0.400 . 1 . . . . 6 LEU CD2 . 16562 1 97 . 1 1 6 6 LEU CG C 13 27.000 0.400 . 1 . . . . 6 LEU CG . 16562 1 98 . 1 1 6 6 LEU N N 15 126.917 0.400 . 1 . . . . 6 LEU N . 16562 1 99 . 1 1 7 7 ILE H H 1 8.458 0.020 . 1 . . . . 7 ILE H . 16562 1 100 . 1 1 7 7 ILE HA H 1 5.131 0.020 . 1 . . . . 7 ILE HA . 16562 1 101 . 1 1 7 7 ILE HB H 1 1.522 0.020 . 1 . . . . 7 ILE HB . 16562 1 102 . 1 1 7 7 ILE HD11 H 1 0.620 0.020 . 1 . . . . 7 ILE HD11 . 16562 1 103 . 1 1 7 7 ILE HD12 H 1 0.620 0.020 . 1 . . . . 7 ILE HD12 . 16562 1 104 . 1 1 7 7 ILE HD13 H 1 0.620 0.020 . 1 . . . . 7 ILE HD13 . 16562 1 105 . 1 1 7 7 ILE HG12 H 1 1.424 0.020 . 2 . . . . 7 ILE HG12 . 16562 1 106 . 1 1 7 7 ILE HG13 H 1 0.893 0.020 . 2 . . . . 7 ILE HG13 . 16562 1 107 . 1 1 7 7 ILE HG21 H 1 0.798 0.020 . 1 . . . . 7 ILE HG21 . 16562 1 108 . 1 1 7 7 ILE HG22 H 1 0.798 0.020 . 1 . . . . 7 ILE HG22 . 16562 1 109 . 1 1 7 7 ILE HG23 H 1 0.798 0.020 . 1 . . . . 7 ILE HG23 . 16562 1 110 . 1 1 7 7 ILE C C 13 173.213 0.400 . 1 . . . . 7 ILE C . 16562 1 111 . 1 1 7 7 ILE CA C 13 58.463 0.400 . 1 . . . . 7 ILE CA . 16562 1 112 . 1 1 7 7 ILE CB C 13 41.020 0.400 . 1 . . . . 7 ILE CB . 16562 1 113 . 1 1 7 7 ILE CD1 C 13 13.689 0.400 . 1 . . . . 7 ILE CD1 . 16562 1 114 . 1 1 7 7 ILE CG1 C 13 27.841 0.400 . 1 . . . . 7 ILE CG1 . 16562 1 115 . 1 1 7 7 ILE CG2 C 13 16.806 0.400 . 1 . . . . 7 ILE CG2 . 16562 1 116 . 1 1 7 7 ILE N N 15 119.778 0.400 . 1 . . . . 7 ILE N . 16562 1 117 . 1 1 8 8 ILE H H 1 8.797 0.020 . 1 . . . . 8 ILE H . 16562 1 118 . 1 1 8 8 ILE HA H 1 4.611 0.020 . 1 . . . . 8 ILE HA . 16562 1 119 . 1 1 8 8 ILE HB H 1 1.895 0.020 . 1 . . . . 8 ILE HB . 16562 1 120 . 1 1 8 8 ILE HD11 H 1 0.709 0.020 . 1 . . . . 8 ILE HD11 . 16562 1 121 . 1 1 8 8 ILE HD12 H 1 0.709 0.020 . 1 . . . . 8 ILE HD12 . 16562 1 122 . 1 1 8 8 ILE HD13 H 1 0.709 0.020 . 1 . . . . 8 ILE HD13 . 16562 1 123 . 1 1 8 8 ILE HG12 H 1 1.362 0.020 . 2 . . . . 8 ILE HG12 . 16562 1 124 . 1 1 8 8 ILE HG13 H 1 0.887 0.020 . 2 . . . . 8 ILE HG13 . 16562 1 125 . 1 1 8 8 ILE HG21 H 1 0.786 0.020 . 1 . . . . 8 ILE HG21 . 16562 1 126 . 1 1 8 8 ILE HG22 H 1 0.786 0.020 . 1 . . . . 8 ILE HG22 . 16562 1 127 . 1 1 8 8 ILE HG23 H 1 0.786 0.020 . 1 . . . . 8 ILE HG23 . 16562 1 128 . 1 1 8 8 ILE C C 13 174.611 0.400 . 1 . . . . 8 ILE C . 16562 1 129 . 1 1 8 8 ILE CA C 13 60.227 0.400 . 1 . . . . 8 ILE CA . 16562 1 130 . 1 1 8 8 ILE CB C 13 37.665 0.400 . 1 . . . . 8 ILE CB . 16562 1 131 . 1 1 8 8 ILE CD1 C 13 13.689 0.400 . 1 . . . . 8 ILE CD1 . 16562 1 132 . 1 1 8 8 ILE CG1 C 13 26.303 0.400 . 1 . . . . 8 ILE CG1 . 16562 1 133 . 1 1 8 8 ILE CG2 C 13 17.453 0.400 . 1 . . . . 8 ILE CG2 . 16562 1 134 . 1 1 8 8 ILE N N 15 128.919 0.400 . 1 . . . . 8 ILE N . 16562 1 135 . 1 1 9 9 SER H H 1 7.811 0.020 . 1 . . . . 9 SER H . 16562 1 136 . 1 1 9 9 SER HA H 1 4.429 0.020 . 1 . . . . 9 SER HA . 16562 1 137 . 1 1 9 9 SER HB2 H 1 2.991 0.020 . 2 . . . . 9 SER HB2 . 16562 1 138 . 1 1 9 9 SER HB3 H 1 3.925 0.020 . 2 . . . . 9 SER HB3 . 16562 1 139 . 1 1 9 9 SER HG H 1 6.060 0.020 . 1 . . . . 9 SER HG . 16562 1 140 . 1 1 9 9 SER C C 13 172.937 0.400 . 1 . . . . 9 SER C . 16562 1 141 . 1 1 9 9 SER CA C 13 58.241 0.400 . 1 . . . . 9 SER CA . 16562 1 142 . 1 1 9 9 SER CB C 13 64.261 0.400 . 1 . . . . 9 SER CB . 16562 1 143 . 1 1 9 9 SER N N 15 116.365 0.400 . 1 . . . . 9 SER N . 16562 1 144 . 1 1 10 10 ASN H H 1 8.641 0.020 . 1 . . . . 10 ASN H . 16562 1 145 . 1 1 10 10 ASN HA H 1 4.938 0.020 . 1 . . . . 10 ASN HA . 16562 1 146 . 1 1 10 10 ASN HB2 H 1 2.928 0.020 . 2 . . . . 10 ASN HB2 . 16562 1 147 . 1 1 10 10 ASN HB3 H 1 2.753 0.020 . 2 . . . . 10 ASN HB3 . 16562 1 148 . 1 1 10 10 ASN HD21 H 1 6.984 0.020 . 2 . . . . 10 ASN HD21 . 16562 1 149 . 1 1 10 10 ASN HD22 H 1 7.605 0.020 . 2 . . . . 10 ASN HD22 . 16562 1 150 . 1 1 10 10 ASN C C 13 174.497 0.400 . 1 . . . . 10 ASN C . 16562 1 151 . 1 1 10 10 ASN CA C 13 52.221 0.400 . 1 . . . . 10 ASN CA . 16562 1 152 . 1 1 10 10 ASN CB C 13 39.128 0.400 . 1 . . . . 10 ASN CB . 16562 1 153 . 1 1 10 10 ASN N N 15 122.612 0.400 . 1 . . . . 10 ASN N . 16562 1 154 . 1 1 10 10 ASN ND2 N 15 113.401 0.400 . 1 . . . . 10 ASN ND2 . 16562 1 155 . 1 1 11 11 ASP H H 1 8.673 0.020 . 1 . . . . 11 ASP H . 16562 1 156 . 1 1 11 11 ASP HA H 1 4.596 0.020 . 1 . . . . 11 ASP HA . 16562 1 157 . 1 1 11 11 ASP HB2 H 1 2.432 0.020 . 2 . . . . 11 ASP HB2 . 16562 1 158 . 1 1 11 11 ASP HB3 H 1 2.994 0.020 . 2 . . . . 11 ASP HB3 . 16562 1 159 . 1 1 11 11 ASP C C 13 175.342 0.400 . 1 . . . . 11 ASP C . 16562 1 160 . 1 1 11 11 ASP CA C 13 53.233 0.400 . 1 . . . . 11 ASP CA . 16562 1 161 . 1 1 11 11 ASP CB C 13 40.965 0.400 . 1 . . . . 11 ASP CB . 16562 1 162 . 1 1 11 11 ASP N N 15 122.717 0.400 . 1 . . . . 11 ASP N . 16562 1 163 . 1 1 12 12 LYS H H 1 8.562 0.020 . 1 . . . . 12 LYS H . 16562 1 164 . 1 1 12 12 LYS HA H 1 3.854 0.020 . 1 . . . . 12 LYS HA . 16562 1 165 . 1 1 12 12 LYS HB2 H 1 1.864 0.020 . 2 . . . . 12 LYS HB2 . 16562 1 166 . 1 1 12 12 LYS HB3 H 1 1.866 0.020 . 2 . . . . 12 LYS HB3 . 16562 1 167 . 1 1 12 12 LYS HD2 H 1 1.700 0.020 . 1 . . . . 12 LYS HD2 . 16562 1 168 . 1 1 12 12 LYS HD3 H 1 1.700 0.020 . 1 . . . . 12 LYS HD3 . 16562 1 169 . 1 1 12 12 LYS HE2 H 1 3.007 0.020 . 2 . . . . 12 LYS HE2 . 16562 1 170 . 1 1 12 12 LYS HE3 H 1 2.965 0.020 . 2 . . . . 12 LYS HE3 . 16562 1 171 . 1 1 12 12 LYS HG2 H 1 1.445 0.020 . 2 . . . . 12 LYS HG2 . 16562 1 172 . 1 1 12 12 LYS HG3 H 1 1.594 0.020 . 2 . . . . 12 LYS HG3 . 16562 1 173 . 1 1 12 12 LYS C C 13 178.754 0.400 . 1 . . . . 12 LYS C . 16562 1 174 . 1 1 12 12 LYS CA C 13 59.581 0.400 . 1 . . . . 12 LYS CA . 16562 1 175 . 1 1 12 12 LYS CB C 13 32.378 0.400 . 1 . . . . 12 LYS CB . 16562 1 176 . 1 1 12 12 LYS CD C 13 29.089 0.400 . 1 . . . . 12 LYS CD . 16562 1 177 . 1 1 12 12 LYS CE C 13 41.800 0.400 . 1 . . . . 12 LYS CE . 16562 1 178 . 1 1 12 12 LYS CG C 13 25.000 0.400 . 1 . . . . 12 LYS CG . 16562 1 179 . 1 1 12 12 LYS N N 15 125.737 0.400 . 1 . . . . 12 LYS N . 16562 1 180 . 1 1 13 13 LYS H H 1 8.075 0.020 . 1 . . . . 13 LYS H . 16562 1 181 . 1 1 13 13 LYS HA H 1 4.154 0.020 . 1 . . . . 13 LYS HA . 16562 1 182 . 1 1 13 13 LYS HB2 H 1 1.916 0.020 . 2 . . . . 13 LYS HB2 . 16562 1 183 . 1 1 13 13 LYS HB3 H 1 1.914 0.020 . 2 . . . . 13 LYS HB3 . 16562 1 184 . 1 1 13 13 LYS HD2 H 1 1.700 0.020 . 2 . . . . 13 LYS HD2 . 16562 1 185 . 1 1 13 13 LYS HD3 H 1 1.702 0.020 . 2 . . . . 13 LYS HD3 . 16562 1 186 . 1 1 13 13 LYS HE2 H 1 2.960 0.020 . 2 . . . . 13 LYS HE2 . 16562 1 187 . 1 1 13 13 LYS HE3 H 1 2.958 0.020 . 2 . . . . 13 LYS HE3 . 16562 1 188 . 1 1 13 13 LYS HG2 H 1 1.430 0.020 . 2 . . . . 13 LYS HG2 . 16562 1 189 . 1 1 13 13 LYS HG3 H 1 1.497 0.020 . 2 . . . . 13 LYS HG3 . 16562 1 190 . 1 1 13 13 LYS C C 13 178.315 0.400 . 1 . . . . 13 LYS C . 16562 1 191 . 1 1 13 13 LYS CA C 13 58.532 0.400 . 1 . . . . 13 LYS CA . 16562 1 192 . 1 1 13 13 LYS CB C 13 31.452 0.400 . 1 . . . . 13 LYS CB . 16562 1 193 . 1 1 13 13 LYS CD C 13 28.935 0.400 . 1 . . . . 13 LYS CD . 16562 1 194 . 1 1 13 13 LYS CE C 13 41.800 0.400 . 1 . . . . 13 LYS CE . 16562 1 195 . 1 1 13 13 LYS CG C 13 25.000 0.400 . 1 . . . . 13 LYS CG . 16562 1 196 . 1 1 13 13 LYS N N 15 119.604 0.400 . 1 . . . . 13 LYS N . 16562 1 197 . 1 1 14 14 LEU H H 1 7.552 0.020 . 1 . . . . 14 LEU H . 16562 1 198 . 1 1 14 14 LEU HA H 1 3.682 0.020 . 1 . . . . 14 LEU HA . 16562 1 199 . 1 1 14 14 LEU HB2 H 1 1.522 0.020 . 2 . . . . 14 LEU HB2 . 16562 1 200 . 1 1 14 14 LEU HB3 H 1 1.902 0.020 . 2 . . . . 14 LEU HB3 . 16562 1 201 . 1 1 14 14 LEU HD11 H 1 0.677 0.020 . 2 . . . . 14 LEU HD11 . 16562 1 202 . 1 1 14 14 LEU HD12 H 1 0.677 0.020 . 2 . . . . 14 LEU HD12 . 16562 1 203 . 1 1 14 14 LEU HD13 H 1 0.677 0.020 . 2 . . . . 14 LEU HD13 . 16562 1 204 . 1 1 14 14 LEU HD21 H 1 0.708 0.020 . 2 . . . . 14 LEU HD21 . 16562 1 205 . 1 1 14 14 LEU HD22 H 1 0.708 0.020 . 2 . . . . 14 LEU HD22 . 16562 1 206 . 1 1 14 14 LEU HD23 H 1 0.708 0.020 . 2 . . . . 14 LEU HD23 . 16562 1 207 . 1 1 14 14 LEU HG H 1 1.349 0.020 . 1 . . . . 14 LEU HG . 16562 1 208 . 1 1 14 14 LEU C C 13 178.429 0.400 . 1 . . . . 14 LEU C . 16562 1 209 . 1 1 14 14 LEU CA C 13 58.999 0.400 . 1 . . . . 14 LEU CA . 16562 1 210 . 1 1 14 14 LEU CB C 13 41.228 0.400 . 1 . . . . 14 LEU CB . 16562 1 211 . 1 1 14 14 LEU CD1 C 13 25.643 0.400 . 1 . . . . 14 LEU CD1 . 16562 1 212 . 1 1 14 14 LEU CD2 C 13 24.353 0.400 . 1 . . . . 14 LEU CD2 . 16562 1 213 . 1 1 14 14 LEU CG C 13 28.115 0.400 . 1 . . . . 14 LEU CG . 16562 1 214 . 1 1 14 14 LEU N N 15 122.266 0.400 . 1 . . . . 14 LEU N . 16562 1 215 . 1 1 15 15 ILE H H 1 8.074 0.020 . 1 . . . . 15 ILE H . 16562 1 216 . 1 1 15 15 ILE HA H 1 3.264 0.020 . 1 . . . . 15 ILE HA . 16562 1 217 . 1 1 15 15 ILE HB H 1 1.729 0.020 . 1 . . . . 15 ILE HB . 16562 1 218 . 1 1 15 15 ILE HD11 H 1 0.759 0.020 . 1 . . . . 15 ILE HD11 . 16562 1 219 . 1 1 15 15 ILE HD12 H 1 0.759 0.020 . 1 . . . . 15 ILE HD12 . 16562 1 220 . 1 1 15 15 ILE HD13 H 1 0.759 0.020 . 1 . . . . 15 ILE HD13 . 16562 1 221 . 1 1 15 15 ILE HG12 H 1 1.693 0.020 . 2 . . . . 15 ILE HG12 . 16562 1 222 . 1 1 15 15 ILE HG13 H 1 0.754 0.020 . 2 . . . . 15 ILE HG13 . 16562 1 223 . 1 1 15 15 ILE HG21 H 1 0.809 0.020 . 1 . . . . 15 ILE HG21 . 16562 1 224 . 1 1 15 15 ILE HG22 H 1 0.809 0.020 . 1 . . . . 15 ILE HG22 . 16562 1 225 . 1 1 15 15 ILE HG23 H 1 0.809 0.020 . 1 . . . . 15 ILE HG23 . 16562 1 226 . 1 1 15 15 ILE C C 13 177.000 0.400 . 1 . . . . 15 ILE C . 16562 1 227 . 1 1 15 15 ILE CA C 13 65.939 0.400 . 1 . . . . 15 ILE CA . 16562 1 228 . 1 1 15 15 ILE CB C 13 37.983 0.400 . 1 . . . . 15 ILE CB . 16562 1 229 . 1 1 15 15 ILE CD1 C 13 13.000 0.400 . 1 . . . . 15 ILE CD1 . 16562 1 230 . 1 1 15 15 ILE CG1 C 13 29.425 0.400 . 1 . . . . 15 ILE CG1 . 16562 1 231 . 1 1 15 15 ILE CG2 C 13 17.317 0.400 . 1 . . . . 15 ILE CG2 . 16562 1 232 . 1 1 15 15 ILE N N 15 118.214 0.400 . 1 . . . . 15 ILE N . 16562 1 233 . 1 1 16 16 GLU H H 1 8.016 0.020 . 1 . . . . 16 GLU H . 16562 1 234 . 1 1 16 16 GLU HA H 1 4.045 0.020 . 1 . . . . 16 GLU HA . 16562 1 235 . 1 1 16 16 GLU HB2 H 1 2.075 0.020 . 2 . . . . 16 GLU HB2 . 16562 1 236 . 1 1 16 16 GLU HB3 H 1 2.165 0.020 . 2 . . . . 16 GLU HB3 . 16562 1 237 . 1 1 16 16 GLU HG2 H 1 2.338 0.020 . 2 . . . . 16 GLU HG2 . 16562 1 238 . 1 1 16 16 GLU HG3 H 1 2.298 0.020 . 2 . . . . 16 GLU HG3 . 16562 1 239 . 1 1 16 16 GLU C C 13 179.388 0.400 . 1 . . . . 16 GLU C . 16562 1 240 . 1 1 16 16 GLU CA C 13 59.032 0.400 . 1 . . . . 16 GLU CA . 16562 1 241 . 1 1 16 16 GLU CB C 13 29.200 0.400 . 1 . . . . 16 GLU CB . 16562 1 242 . 1 1 16 16 GLU CG C 13 36.000 0.400 . 1 . . . . 16 GLU CG . 16562 1 243 . 1 1 16 16 GLU N N 15 118.484 0.400 . 1 . . . . 16 GLU N . 16562 1 244 . 1 1 17 17 GLU H H 1 8.063 0.020 . 1 . . . . 17 GLU H . 16562 1 245 . 1 1 17 17 GLU HA H 1 4.053 0.020 . 1 . . . . 17 GLU HA . 16562 1 246 . 1 1 17 17 GLU HB2 H 1 1.941 0.020 . 2 . . . . 17 GLU HB2 . 16562 1 247 . 1 1 17 17 GLU HB3 H 1 2.006 0.020 . 2 . . . . 17 GLU HB3 . 16562 1 248 . 1 1 17 17 GLU HG2 H 1 2.244 0.020 . 2 . . . . 17 GLU HG2 . 16562 1 249 . 1 1 17 17 GLU HG3 H 1 2.429 0.020 . 2 . . . . 17 GLU HG3 . 16562 1 250 . 1 1 17 17 GLU C C 13 179.306 0.400 . 1 . . . . 17 GLU C . 16562 1 251 . 1 1 17 17 GLU CA C 13 58.636 0.400 . 1 . . . . 17 GLU CA . 16562 1 252 . 1 1 17 17 GLU CB C 13 29.011 0.400 . 1 . . . . 17 GLU CB . 16562 1 253 . 1 1 17 17 GLU CG C 13 36.000 0.400 . 1 . . . . 17 GLU CG . 16562 1 254 . 1 1 17 17 GLU N N 15 118.100 0.400 . 1 . . . . 17 GLU N . 16562 1 255 . 1 1 18 18 ALA H H 1 8.655 0.020 . 1 . . . . 18 ALA H . 16562 1 256 . 1 1 18 18 ALA HA H 1 3.775 0.020 . 1 . . . . 18 ALA HA . 16562 1 257 . 1 1 18 18 ALA HB1 H 1 1.227 0.020 . 1 . . . . 18 ALA HB1 . 16562 1 258 . 1 1 18 18 ALA HB2 H 1 1.227 0.020 . 1 . . . . 18 ALA HB2 . 16562 1 259 . 1 1 18 18 ALA HB3 H 1 1.227 0.020 . 1 . . . . 18 ALA HB3 . 16562 1 260 . 1 1 18 18 ALA C C 13 178.559 0.400 . 1 . . . . 18 ALA C . 16562 1 261 . 1 1 18 18 ALA CA C 13 54.960 0.400 . 1 . . . . 18 ALA CA . 16562 1 262 . 1 1 18 18 ALA CB C 13 17.960 0.400 . 1 . . . . 18 ALA CB . 16562 1 263 . 1 1 18 18 ALA N N 15 122.439 0.400 . 1 . . . . 18 ALA N . 16562 1 264 . 1 1 19 19 ARG H H 1 8.900 0.020 . 1 . . . . 19 ARG H . 16562 1 265 . 1 1 19 19 ARG HA H 1 3.809 0.020 . 1 . . . . 19 ARG HA . 16562 1 266 . 1 1 19 19 ARG HB2 H 1 1.892 0.020 . 2 . . . . 19 ARG HB2 . 16562 1 267 . 1 1 19 19 ARG HB3 H 1 1.929 0.020 . 2 . . . . 19 ARG HB3 . 16562 1 268 . 1 1 19 19 ARG HD2 H 1 3.176 0.020 . 1 . . . . 19 ARG HD2 . 16562 1 269 . 1 1 19 19 ARG HD3 H 1 3.176 0.020 . 1 . . . . 19 ARG HD3 . 16562 1 270 . 1 1 19 19 ARG HE H 1 7.450 0.020 . 1 . . . . 19 ARG HE . 16562 1 271 . 1 1 19 19 ARG HG2 H 1 1.585 0.020 . 2 . . . . 19 ARG HG2 . 16562 1 272 . 1 1 19 19 ARG HG3 H 1 1.760 0.020 . 2 . . . . 19 ARG HG3 . 16562 1 273 . 1 1 19 19 ARG C C 13 178.721 0.400 . 1 . . . . 19 ARG C . 16562 1 274 . 1 1 19 19 ARG CA C 13 59.976 0.400 . 1 . . . . 19 ARG CA . 16562 1 275 . 1 1 19 19 ARG CB C 13 29.572 0.400 . 1 . . . . 19 ARG CB . 16562 1 276 . 1 1 19 19 ARG CD C 13 43.165 0.400 . 1 . . . . 19 ARG CD . 16562 1 277 . 1 1 19 19 ARG CG C 13 27.707 0.400 . 1 . . . . 19 ARG CG . 16562 1 278 . 1 1 19 19 ARG N N 15 118.563 0.400 . 1 . . . . 19 ARG N . 16562 1 279 . 1 1 19 19 ARG NE N 15 83.223 0.400 . 1 . . . . 19 ARG NE . 16562 1 280 . 1 1 20 20 LYS H H 1 7.792 0.020 . 1 . . . . 20 LYS H . 16562 1 281 . 1 1 20 20 LYS HA H 1 4.052 0.020 . 1 . . . . 20 LYS HA . 16562 1 282 . 1 1 20 20 LYS HB2 H 1 1.889 0.020 . 2 . . . . 20 LYS HB2 . 16562 1 283 . 1 1 20 20 LYS HB3 H 1 1.934 0.020 . 2 . . . . 20 LYS HB3 . 16562 1 284 . 1 1 20 20 LYS HD2 H 1 1.677 0.020 . 2 . . . . 20 LYS HD2 . 16562 1 285 . 1 1 20 20 LYS HD3 H 1 1.674 0.020 . 2 . . . . 20 LYS HD3 . 16562 1 286 . 1 1 20 20 LYS HE2 H 1 2.912 0.020 . 1 . . . . 20 LYS HE2 . 16562 1 287 . 1 1 20 20 LYS HE3 H 1 2.913 0.020 . 1 . . . . 20 LYS HE3 . 16562 1 288 . 1 1 20 20 LYS HG2 H 1 1.457 0.020 . 2 . . . . 20 LYS HG2 . 16562 1 289 . 1 1 20 20 LYS HG3 H 1 1.674 0.020 . 2 . . . . 20 LYS HG3 . 16562 1 290 . 1 1 20 20 LYS C C 13 179.648 0.400 . 1 . . . . 20 LYS C . 16562 1 291 . 1 1 20 20 LYS CA C 13 59.296 0.400 . 1 . . . . 20 LYS CA . 16562 1 292 . 1 1 20 20 LYS CB C 13 32.216 0.400 . 1 . . . . 20 LYS CB . 16562 1 293 . 1 1 20 20 LYS CD C 13 29.193 0.400 . 1 . . . . 20 LYS CD . 16562 1 294 . 1 1 20 20 LYS CE C 13 41.800 0.400 . 1 . . . . 20 LYS CE . 16562 1 295 . 1 1 20 20 LYS CG C 13 25.107 0.400 . 1 . . . . 20 LYS CG . 16562 1 296 . 1 1 20 20 LYS N N 15 118.638 0.400 . 1 . . . . 20 LYS N . 16562 1 297 . 1 1 21 21 MET H H 1 7.684 0.020 . 1 . . . . 21 MET H . 16562 1 298 . 1 1 21 21 MET HA H 1 4.411 0.020 . 1 . . . . 21 MET HA . 16562 1 299 . 1 1 21 21 MET HB2 H 1 2.050 0.020 . 2 . . . . 21 MET HB2 . 16562 1 300 . 1 1 21 21 MET HB3 H 1 2.399 0.020 . 2 . . . . 21 MET HB3 . 16562 1 301 . 1 1 21 21 MET HE1 H 1 2.098 0.020 . 1 . . . . 21 MET HE1 . 16562 1 302 . 1 1 21 21 MET HE2 H 1 2.098 0.020 . 1 . . . . 21 MET HE2 . 16562 1 303 . 1 1 21 21 MET HE3 H 1 2.098 0.020 . 1 . . . . 21 MET HE3 . 16562 1 304 . 1 1 21 21 MET HG2 H 1 2.940 0.020 . 2 . . . . 21 MET HG2 . 16562 1 305 . 1 1 21 21 MET HG3 H 1 2.400 0.020 . 2 . . . . 21 MET HG3 . 16562 1 306 . 1 1 21 21 MET C C 13 177.909 0.400 . 1 . . . . 21 MET C . 16562 1 307 . 1 1 21 21 MET CA C 13 57.009 0.400 . 1 . . . . 21 MET CA . 16562 1 308 . 1 1 21 21 MET CB C 13 32.028 0.400 . 1 . . . . 21 MET CB . 16562 1 309 . 1 1 21 21 MET CE C 13 17.935 0.400 . 1 . . . . 21 MET CE . 16562 1 310 . 1 1 21 21 MET CG C 13 31.909 0.400 . 1 . . . . 21 MET CG . 16562 1 311 . 1 1 21 21 MET N N 15 118.100 0.400 . 1 . . . . 21 MET N . 16562 1 312 . 1 1 22 22 ALA H H 1 8.815 0.020 . 1 . . . . 22 ALA H . 16562 1 313 . 1 1 22 22 ALA HA H 1 3.826 0.020 . 1 . . . . 22 ALA HA . 16562 1 314 . 1 1 22 22 ALA HB1 H 1 1.435 0.020 . 1 . . . . 22 ALA HB1 . 16562 1 315 . 1 1 22 22 ALA HB2 H 1 1.435 0.020 . 1 . . . . 22 ALA HB2 . 16562 1 316 . 1 1 22 22 ALA HB3 H 1 1.435 0.020 . 1 . . . . 22 ALA HB3 . 16562 1 317 . 1 1 22 22 ALA C C 13 178.835 0.400 . 1 . . . . 22 ALA C . 16562 1 318 . 1 1 22 22 ALA CA C 13 55.427 0.400 . 1 . . . . 22 ALA CA . 16562 1 319 . 1 1 22 22 ALA CB C 13 18.059 0.400 . 1 . . . . 22 ALA CB . 16562 1 320 . 1 1 22 22 ALA N N 15 122.150 0.400 . 1 . . . . 22 ALA N . 16562 1 321 . 1 1 23 23 GLU H H 1 8.276 0.020 . 1 . . . . 23 GLU H . 16562 1 322 . 1 1 23 23 GLU HA H 1 4.146 0.020 . 1 . . . . 23 GLU HA . 16562 1 323 . 1 1 23 23 GLU HB2 H 1 2.086 0.020 . 2 . . . . 23 GLU HB2 . 16562 1 324 . 1 1 23 23 GLU HB3 H 1 2.153 0.020 . 2 . . . . 23 GLU HB3 . 16562 1 325 . 1 1 23 23 GLU HG2 H 1 2.270 0.020 . 2 . . . . 23 GLU HG2 . 16562 1 326 . 1 1 23 23 GLU HG3 H 1 2.490 0.020 . 2 . . . . 23 GLU HG3 . 16562 1 327 . 1 1 23 23 GLU C C 13 180.151 0.400 . 1 . . . . 23 GLU C . 16562 1 328 . 1 1 23 23 GLU CA C 13 58.999 0.400 . 1 . . . . 23 GLU CA . 16562 1 329 . 1 1 23 23 GLU CB C 13 29.160 0.400 . 1 . . . . 23 GLU CB . 16562 1 330 . 1 1 23 23 GLU CG C 13 36.227 0.400 . 1 . . . . 23 GLU CG . 16562 1 331 . 1 1 23 23 GLU N N 15 117.001 0.400 . 1 . . . . 23 GLU N . 16562 1 332 . 1 1 24 24 LYS H H 1 7.573 0.020 . 1 . . . . 24 LYS H . 16562 1 333 . 1 1 24 24 LYS HA H 1 4.101 0.020 . 1 . . . . 24 LYS HA . 16562 1 334 . 1 1 24 24 LYS HB2 H 1 1.962 0.020 . 1 . . . . 24 LYS HB2 . 16562 1 335 . 1 1 24 24 LYS HB3 H 1 1.962 0.020 . 1 . . . . 24 LYS HB3 . 16562 1 336 . 1 1 24 24 LYS HD2 H 1 1.695 0.020 . 1 . . . . 24 LYS HD2 . 16562 1 337 . 1 1 24 24 LYS HD3 H 1 1.696 0.020 . 1 . . . . 24 LYS HD3 . 16562 1 338 . 1 1 24 24 LYS HE2 H 1 2.962 0.020 . 1 . . . . 24 LYS HE2 . 16562 1 339 . 1 1 24 24 LYS HE3 H 1 2.962 0.020 . 1 . . . . 24 LYS HE3 . 16562 1 340 . 1 1 24 24 LYS HG2 H 1 1.586 0.020 . 2 . . . . 24 LYS HG2 . 16562 1 341 . 1 1 24 24 LYS HG3 H 1 1.508 0.020 . 2 . . . . 24 LYS HG3 . 16562 1 342 . 1 1 24 24 LYS C C 13 177.145 0.400 . 1 . . . . 24 LYS C . 16562 1 343 . 1 1 24 24 LYS CA C 13 58.261 0.400 . 1 . . . . 24 LYS CA . 16562 1 344 . 1 1 24 24 LYS CB C 13 32.079 0.400 . 1 . . . . 24 LYS CB . 16562 1 345 . 1 1 24 24 LYS CD C 13 28.900 0.400 . 1 . . . . 24 LYS CD . 16562 1 346 . 1 1 24 24 LYS CE C 13 41.800 0.400 . 1 . . . . 24 LYS CE . 16562 1 347 . 1 1 24 24 LYS CG C 13 25.000 0.400 . 1 . . . . 24 LYS CG . 16562 1 348 . 1 1 24 24 LYS N N 15 119.960 0.400 . 1 . . . . 24 LYS N . 16562 1 349 . 1 1 25 25 ALA H H 1 7.710 0.020 . 1 . . . . 25 ALA H . 16562 1 350 . 1 1 25 25 ALA HA H 1 4.413 0.020 . 1 . . . . 25 ALA HA . 16562 1 351 . 1 1 25 25 ALA HB1 H 1 1.338 0.020 . 1 . . . . 25 ALA HB1 . 16562 1 352 . 1 1 25 25 ALA HB2 H 1 1.338 0.020 . 1 . . . . 25 ALA HB2 . 16562 1 353 . 1 1 25 25 ALA HB3 H 1 1.338 0.020 . 1 . . . . 25 ALA HB3 . 16562 1 354 . 1 1 25 25 ALA C C 13 175.325 0.400 . 1 . . . . 25 ALA C . 16562 1 355 . 1 1 25 25 ALA CA C 13 51.208 0.400 . 1 . . . . 25 ALA CA . 16562 1 356 . 1 1 25 25 ALA CB C 13 18.520 0.400 . 1 . . . . 25 ALA CB . 16562 1 357 . 1 1 25 25 ALA N N 15 119.257 0.400 . 1 . . . . 25 ALA N . 16562 1 358 . 1 1 26 26 ASN H H 1 7.840 0.020 . 1 . . . . 26 ASN H . 16562 1 359 . 1 1 26 26 ASN HA H 1 4.357 0.020 . 1 . . . . 26 ASN HA . 16562 1 360 . 1 1 26 26 ASN HB2 H 1 2.736 0.020 . 2 . . . . 26 ASN HB2 . 16562 1 361 . 1 1 26 26 ASN HB3 H 1 3.066 0.020 . 2 . . . . 26 ASN HB3 . 16562 1 362 . 1 1 26 26 ASN HD21 H 1 6.751 0.020 . 2 . . . . 26 ASN HD21 . 16562 1 363 . 1 1 26 26 ASN HD22 H 1 7.466 0.020 . 2 . . . . 26 ASN HD22 . 16562 1 364 . 1 1 26 26 ASN C C 13 173.587 0.400 . 1 . . . . 26 ASN C . 16562 1 365 . 1 1 26 26 ASN CA C 13 54.307 0.400 . 1 . . . . 26 ASN CA . 16562 1 366 . 1 1 26 26 ASN CB C 13 36.972 0.400 . 1 . . . . 26 ASN CB . 16562 1 367 . 1 1 26 26 ASN N N 15 115.266 0.400 . 1 . . . . 26 ASN N . 16562 1 368 . 1 1 26 26 ASN ND2 N 15 112.341 0.400 . 1 . . . . 26 ASN ND2 . 16562 1 369 . 1 1 27 27 LEU H H 1 8.241 0.020 . 1 . . . . 27 LEU H . 16562 1 370 . 1 1 27 27 LEU HA H 1 4.652 0.020 . 1 . . . . 27 LEU HA . 16562 1 371 . 1 1 27 27 LEU HB2 H 1 1.457 0.020 . 2 . . . . 27 LEU HB2 . 16562 1 372 . 1 1 27 27 LEU HB3 H 1 1.343 0.020 . 2 . . . . 27 LEU HB3 . 16562 1 373 . 1 1 27 27 LEU HD11 H 1 0.768 0.020 . 2 . . . . 27 LEU HD11 . 16562 1 374 . 1 1 27 27 LEU HD12 H 1 0.768 0.020 . 2 . . . . 27 LEU HD12 . 16562 1 375 . 1 1 27 27 LEU HD13 H 1 0.768 0.020 . 2 . . . . 27 LEU HD13 . 16562 1 376 . 1 1 27 27 LEU HD21 H 1 0.729 0.020 . 2 . . . . 27 LEU HD21 . 16562 1 377 . 1 1 27 27 LEU HD22 H 1 0.729 0.020 . 2 . . . . 27 LEU HD22 . 16562 1 378 . 1 1 27 27 LEU HD23 H 1 0.729 0.020 . 2 . . . . 27 LEU HD23 . 16562 1 379 . 1 1 27 27 LEU HG H 1 1.598 0.020 . 1 . . . . 27 LEU HG . 16562 1 380 . 1 1 27 27 LEU C C 13 175.894 0.400 . 1 . . . . 27 LEU C . 16562 1 381 . 1 1 27 27 LEU CA C 13 52.923 0.400 . 1 . . . . 27 LEU CA . 16562 1 382 . 1 1 27 27 LEU CB C 13 44.090 0.400 . 1 . . . . 27 LEU CB . 16562 1 383 . 1 1 27 27 LEU CD1 C 13 26.588 0.400 . 1 . . . . 27 LEU CD1 . 16562 1 384 . 1 1 27 27 LEU CD2 C 13 25.255 0.400 . 1 . . . . 27 LEU CD2 . 16562 1 385 . 1 1 27 27 LEU CG C 13 26.520 0.400 . 1 . . . . 27 LEU CG . 16562 1 386 . 1 1 27 27 LEU N N 15 116.828 0.400 . 1 . . . . 27 LEU N . 16562 1 387 . 1 1 28 28 GLU H H 1 7.798 0.020 . 1 . . . . 28 GLU H . 16562 1 388 . 1 1 28 28 GLU HA H 1 4.310 0.020 . 1 . . . . 28 GLU HA . 16562 1 389 . 1 1 28 28 GLU HB2 H 1 1.742 0.020 . 2 . . . . 28 GLU HB2 . 16562 1 390 . 1 1 28 28 GLU HB3 H 1 1.563 0.020 . 2 . . . . 28 GLU HB3 . 16562 1 391 . 1 1 28 28 GLU HG2 H 1 2.063 0.020 . 1 . . . . 28 GLU HG2 . 16562 1 392 . 1 1 28 28 GLU HG3 H 1 2.063 0.020 . 1 . . . . 28 GLU HG3 . 16562 1 393 . 1 1 28 28 GLU C C 13 173.944 0.400 . 1 . . . . 28 GLU C . 16562 1 394 . 1 1 28 28 GLU CA C 13 55.460 0.400 . 1 . . . . 28 GLU CA . 16562 1 395 . 1 1 28 28 GLU CB C 13 30.512 0.400 . 1 . . . . 28 GLU CB . 16562 1 396 . 1 1 28 28 GLU CG C 13 35.828 0.400 . 1 . . . . 28 GLU CG . 16562 1 397 . 1 1 28 28 GLU N N 15 121.340 0.400 . 1 . . . . 28 GLU N . 16562 1 398 . 1 1 29 29 LEU H H 1 8.451 0.020 . 1 . . . . 29 LEU H . 16562 1 399 . 1 1 29 29 LEU HA H 1 5.662 0.020 . 1 . . . . 29 LEU HA . 16562 1 400 . 1 1 29 29 LEU HB2 H 1 1.159 0.020 . 2 . . . . 29 LEU HB2 . 16562 1 401 . 1 1 29 29 LEU HB3 H 1 1.596 0.020 . 2 . . . . 29 LEU HB3 . 16562 1 402 . 1 1 29 29 LEU HD11 H 1 0.653 0.020 . 2 . . . . 29 LEU HD11 . 16562 1 403 . 1 1 29 29 LEU HD12 H 1 0.653 0.020 . 2 . . . . 29 LEU HD12 . 16562 1 404 . 1 1 29 29 LEU HD13 H 1 0.653 0.020 . 2 . . . . 29 LEU HD13 . 16562 1 405 . 1 1 29 29 LEU HD21 H 1 0.642 0.020 . 2 . . . . 29 LEU HD21 . 16562 1 406 . 1 1 29 29 LEU HD22 H 1 0.642 0.020 . 2 . . . . 29 LEU HD22 . 16562 1 407 . 1 1 29 29 LEU HD23 H 1 0.642 0.020 . 2 . . . . 29 LEU HD23 . 16562 1 408 . 1 1 29 29 LEU HG H 1 1.435 0.020 . 1 . . . . 29 LEU HG . 16562 1 409 . 1 1 29 29 LEU C C 13 176.902 0.400 . 1 . . . . 29 LEU C . 16562 1 410 . 1 1 29 29 LEU CA C 13 53.186 0.400 . 1 . . . . 29 LEU CA . 16562 1 411 . 1 1 29 29 LEU CB C 13 44.914 0.400 . 1 . . . . 29 LEU CB . 16562 1 412 . 1 1 29 29 LEU CD1 C 13 26.644 0.400 . 1 . . . . 29 LEU CD1 . 16562 1 413 . 1 1 29 29 LEU CD2 C 13 24.697 0.400 . 1 . . . . 29 LEU CD2 . 16562 1 414 . 1 1 29 29 LEU CG C 13 27.000 0.400 . 1 . . . . 29 LEU CG . 16562 1 415 . 1 1 29 29 LEU N N 15 126.547 0.400 . 1 . . . . 29 LEU N . 16562 1 416 . 1 1 30 30 ARG H H 1 9.094 0.020 . 1 . . . . 30 ARG H . 16562 1 417 . 1 1 30 30 ARG HA H 1 4.910 0.020 . 1 . . . . 30 ARG HA . 16562 1 418 . 1 1 30 30 ARG HB2 H 1 1.603 0.020 . 2 . . . . 30 ARG HB2 . 16562 1 419 . 1 1 30 30 ARG HB3 H 1 1.370 0.020 . 2 . . . . 30 ARG HB3 . 16562 1 420 . 1 1 30 30 ARG HD2 H 1 2.673 0.020 . 2 . . . . 30 ARG HD2 . 16562 1 421 . 1 1 30 30 ARG HD3 H 1 3.083 0.020 . 2 . . . . 30 ARG HD3 . 16562 1 422 . 1 1 30 30 ARG HE H 1 7.789 0.020 . 1 . . . . 30 ARG HE . 16562 1 423 . 1 1 30 30 ARG HG2 H 1 1.293 0.020 . 2 . . . . 30 ARG HG2 . 16562 1 424 . 1 1 30 30 ARG HG3 H 1 1.530 0.020 . 2 . . . . 30 ARG HG3 . 16562 1 425 . 1 1 30 30 ARG C C 13 175.147 0.400 . 1 . . . . 30 ARG C . 16562 1 426 . 1 1 30 30 ARG CA C 13 53.417 0.400 . 1 . . . . 30 ARG CA . 16562 1 427 . 1 1 30 30 ARG CB C 13 32.555 0.400 . 1 . . . . 30 ARG CB . 16562 1 428 . 1 1 30 30 ARG CD C 13 42.607 0.400 . 1 . . . . 30 ARG CD . 16562 1 429 . 1 1 30 30 ARG CG C 13 26.440 0.400 . 1 . . . . 30 ARG CG . 16562 1 430 . 1 1 30 30 ARG N N 15 125.043 0.400 . 1 . . . . 30 ARG N . 16562 1 431 . 1 1 30 30 ARG NE N 15 84.197 0.400 . 1 . . . . 30 ARG NE . 16562 1 432 . 1 1 31 31 THR H H 1 8.496 0.020 . 1 . . . . 31 THR H . 16562 1 433 . 1 1 31 31 THR HA H 1 4.888 0.020 . 1 . . . . 31 THR HA . 16562 1 434 . 1 1 31 31 THR HB H 1 4.240 0.020 . 1 . . . . 31 THR HB . 16562 1 435 . 1 1 31 31 THR HG21 H 1 1.140 0.020 . 1 . . . . 31 THR HG21 . 16562 1 436 . 1 1 31 31 THR HG22 H 1 1.140 0.020 . 1 . . . . 31 THR HG22 . 16562 1 437 . 1 1 31 31 THR HG23 H 1 1.140 0.020 . 1 . . . . 31 THR HG23 . 16562 1 438 . 1 1 31 31 THR C C 13 173.961 0.400 . 1 . . . . 31 THR C . 16562 1 439 . 1 1 31 31 THR CA C 13 60.445 0.400 . 1 . . . . 31 THR CA . 16562 1 440 . 1 1 31 31 THR CB C 13 69.492 0.400 . 1 . . . . 31 THR CB . 16562 1 441 . 1 1 31 31 THR CG2 C 13 22.099 0.400 . 1 . . . . 31 THR CG2 . 16562 1 442 . 1 1 31 31 THR N N 15 114.745 0.400 . 1 . . . . 31 THR N . 16562 1 443 . 1 1 32 32 VAL H H 1 8.480 0.020 . 1 . . . . 32 VAL H . 16562 1 444 . 1 1 32 32 VAL HA H 1 4.411 0.020 . 1 . . . . 32 VAL HA . 16562 1 445 . 1 1 32 32 VAL HB H 1 1.940 0.020 . 1 . . . . 32 VAL HB . 16562 1 446 . 1 1 32 32 VAL HG11 H 1 0.907 0.020 . 2 . . . . 32 VAL HG11 . 16562 1 447 . 1 1 32 32 VAL HG12 H 1 0.907 0.020 . 2 . . . . 32 VAL HG12 . 16562 1 448 . 1 1 32 32 VAL HG13 H 1 0.907 0.020 . 2 . . . . 32 VAL HG13 . 16562 1 449 . 1 1 32 32 VAL HG21 H 1 0.831 0.020 . 2 . . . . 32 VAL HG21 . 16562 1 450 . 1 1 32 32 VAL HG22 H 1 0.831 0.020 . 2 . . . . 32 VAL HG22 . 16562 1 451 . 1 1 32 32 VAL HG23 H 1 0.831 0.020 . 2 . . . . 32 VAL HG23 . 16562 1 452 . 1 1 32 32 VAL C C 13 175.082 0.400 . 1 . . . . 32 VAL C . 16562 1 453 . 1 1 32 32 VAL CA C 13 60.946 0.400 . 1 . . . . 32 VAL CA . 16562 1 454 . 1 1 32 32 VAL CB C 13 34.487 0.400 . 1 . . . . 32 VAL CB . 16562 1 455 . 1 1 32 32 VAL CG1 C 13 23.398 0.400 . 1 . . . . 32 VAL CG1 . 16562 1 456 . 1 1 32 32 VAL CG2 C 13 22.020 0.400 . 1 . . . . 32 VAL CG2 . 16562 1 457 . 1 1 32 32 VAL N N 15 122.324 0.400 . 1 . . . . 32 VAL N . 16562 1 458 . 1 1 33 33 LYS H H 1 9.304 0.020 . 1 . . . . 33 LYS H . 16562 1 459 . 1 1 33 33 LYS HA H 1 4.534 0.020 . 1 . . . . 33 LYS HA . 16562 1 460 . 1 1 33 33 LYS HB2 H 1 1.917 0.020 . 2 . . . . 33 LYS HB2 . 16562 1 461 . 1 1 33 33 LYS HB3 H 1 1.915 0.020 . 2 . . . . 33 LYS HB3 . 16562 1 462 . 1 1 33 33 LYS HD2 H 1 1.724 0.020 . 1 . . . . 33 LYS HD2 . 16562 1 463 . 1 1 33 33 LYS HD3 H 1 1.724 0.020 . 1 . . . . 33 LYS HD3 . 16562 1 464 . 1 1 33 33 LYS HE2 H 1 3.020 0.020 . 1 . . . . 33 LYS HE2 . 16562 1 465 . 1 1 33 33 LYS HE3 H 1 3.020 0.020 . 1 . . . . 33 LYS HE3 . 16562 1 466 . 1 1 33 33 LYS HG2 H 1 1.548 0.020 . 2 . . . . 33 LYS HG2 . 16562 1 467 . 1 1 33 33 LYS HG3 H 1 1.504 0.020 . 2 . . . . 33 LYS HG3 . 16562 1 468 . 1 1 33 33 LYS C C 13 176.740 0.400 . 1 . . . . 33 LYS C . 16562 1 469 . 1 1 33 33 LYS CA C 13 56.846 0.400 . 1 . . . . 33 LYS CA . 16562 1 470 . 1 1 33 33 LYS CB C 13 34.355 0.400 . 1 . . . . 33 LYS CB . 16562 1 471 . 1 1 33 33 LYS CD C 13 28.639 0.400 . 1 . . . . 33 LYS CD . 16562 1 472 . 1 1 33 33 LYS CE C 13 41.800 0.400 . 1 . . . . 33 LYS CE . 16562 1 473 . 1 1 33 33 LYS CG C 13 24.849 0.400 . 1 . . . . 33 LYS CG . 16562 1 474 . 1 1 33 33 LYS N N 15 123.654 0.400 . 1 . . . . 33 LYS N . 16562 1 475 . 1 1 34 34 THR H H 1 7.245 0.020 . 1 . . . . 34 THR H . 16562 1 476 . 1 1 34 34 THR HA H 1 4.780 0.020 . 1 . . . . 34 THR HA . 16562 1 477 . 1 1 34 34 THR HB H 1 4.595 0.020 . 1 . . . . 34 THR HB . 16562 1 478 . 1 1 34 34 THR HG21 H 1 1.174 0.020 . 1 . . . . 34 THR HG21 . 16562 1 479 . 1 1 34 34 THR HG22 H 1 1.174 0.020 . 1 . . . . 34 THR HG22 . 16562 1 480 . 1 1 34 34 THR HG23 H 1 1.174 0.020 . 1 . . . . 34 THR HG23 . 16562 1 481 . 1 1 34 34 THR C C 13 174.529 0.400 . 1 . . . . 34 THR C . 16562 1 482 . 1 1 34 34 THR CA C 13 58.859 0.400 . 1 . . . . 34 THR CA . 16562 1 483 . 1 1 34 34 THR CB C 13 73.023 0.400 . 1 . . . . 34 THR CB . 16562 1 484 . 1 1 34 34 THR CG2 C 13 21.621 0.400 . 1 . . . . 34 THR CG2 . 16562 1 485 . 1 1 34 34 THR N N 15 106.300 0.400 . 1 . . . . 34 THR N . 16562 1 486 . 1 1 35 35 GLU H H 1 9.174 0.020 . 1 . . . . 35 GLU H . 16562 1 487 . 1 1 35 35 GLU HA H 1 3.886 0.020 . 1 . . . . 35 GLU HA . 16562 1 488 . 1 1 35 35 GLU HB2 H 1 2.007 0.020 . 2 . . . . 35 GLU HB2 . 16562 1 489 . 1 1 35 35 GLU HB3 H 1 2.080 0.020 . 2 . . . . 35 GLU HB3 . 16562 1 490 . 1 1 35 35 GLU HG2 H 1 2.196 0.020 . 1 . . . . 35 GLU HG2 . 16562 1 491 . 1 1 35 35 GLU HG3 H 1 2.196 0.020 . 1 . . . . 35 GLU HG3 . 16562 1 492 . 1 1 35 35 GLU C C 13 177.714 0.400 . 1 . . . . 35 GLU C . 16562 1 493 . 1 1 35 35 GLU CA C 13 59.233 0.400 . 1 . . . . 35 GLU CA . 16562 1 494 . 1 1 35 35 GLU CB C 13 29.377 0.400 . 1 . . . . 35 GLU CB . 16562 1 495 . 1 1 35 35 GLU CG C 13 36.405 0.400 . 1 . . . . 35 GLU CG . 16562 1 496 . 1 1 35 35 GLU N N 15 121.919 0.400 . 1 . . . . 35 GLU N . 16562 1 497 . 1 1 36 36 ASP H H 1 8.185 0.020 . 1 . . . . 36 ASP H . 16562 1 498 . 1 1 36 36 ASP HA H 1 4.289 0.020 . 1 . . . . 36 ASP HA . 16562 1 499 . 1 1 36 36 ASP HB2 H 1 2.505 0.020 . 1 . . . . 36 ASP HB2 . 16562 1 500 . 1 1 36 36 ASP HB3 H 1 2.506 0.020 . 1 . . . . 36 ASP HB3 . 16562 1 501 . 1 1 36 36 ASP C C 13 178.348 0.400 . 1 . . . . 36 ASP C . 16562 1 502 . 1 1 36 36 ASP CA C 13 56.962 0.400 . 1 . . . . 36 ASP CA . 16562 1 503 . 1 1 36 36 ASP CB C 13 40.214 0.400 . 1 . . . . 36 ASP CB . 16562 1 504 . 1 1 36 36 ASP N N 15 118.332 0.400 . 1 . . . . 36 ASP N . 16562 1 505 . 1 1 37 37 GLU H H 1 7.741 0.020 . 1 . . . . 37 GLU H . 16562 1 506 . 1 1 37 37 GLU HA H 1 3.708 0.020 . 1 . . . . 37 GLU HA . 16562 1 507 . 1 1 37 37 GLU HB2 H 1 1.977 0.020 . 2 . . . . 37 GLU HB2 . 16562 1 508 . 1 1 37 37 GLU HB3 H 1 2.125 0.020 . 2 . . . . 37 GLU HB3 . 16562 1 509 . 1 1 37 37 GLU HG2 H 1 2.258 0.020 . 2 . . . . 37 GLU HG2 . 16562 1 510 . 1 1 37 37 GLU HG3 H 1 2.109 0.020 . 2 . . . . 37 GLU HG3 . 16562 1 511 . 1 1 37 37 GLU C C 13 177.324 0.400 . 1 . . . . 37 GLU C . 16562 1 512 . 1 1 37 37 GLU CA C 13 58.698 0.400 . 1 . . . . 37 GLU CA . 16562 1 513 . 1 1 37 37 GLU CB C 13 30.199 0.400 . 1 . . . . 37 GLU CB . 16562 1 514 . 1 1 37 37 GLU CG C 13 36.945 0.400 . 1 . . . . 37 GLU CG . 16562 1 515 . 1 1 37 37 GLU N N 15 120.704 0.400 . 1 . . . . 37 GLU N . 16562 1 516 . 1 1 38 38 LEU H H 1 7.531 0.020 . 1 . . . . 38 LEU H . 16562 1 517 . 1 1 38 38 LEU HA H 1 3.873 0.020 . 1 . . . . 38 LEU HA . 16562 1 518 . 1 1 38 38 LEU HB2 H 1 1.455 0.020 . 2 . . . . 38 LEU HB2 . 16562 1 519 . 1 1 38 38 LEU HB3 H 1 2.072 0.020 . 2 . . . . 38 LEU HB3 . 16562 1 520 . 1 1 38 38 LEU HD11 H 1 0.860 0.020 . 2 . . . . 38 LEU HD11 . 16562 1 521 . 1 1 38 38 LEU HD12 H 1 0.860 0.020 . 2 . . . . 38 LEU HD12 . 16562 1 522 . 1 1 38 38 LEU HD13 H 1 0.860 0.020 . 2 . . . . 38 LEU HD13 . 16562 1 523 . 1 1 38 38 LEU HD21 H 1 0.822 0.020 . 2 . . . . 38 LEU HD21 . 16562 1 524 . 1 1 38 38 LEU HD22 H 1 0.822 0.020 . 2 . . . . 38 LEU HD22 . 16562 1 525 . 1 1 38 38 LEU HD23 H 1 0.822 0.020 . 2 . . . . 38 LEU HD23 . 16562 1 526 . 1 1 38 38 LEU HG H 1 1.459 0.020 . 1 . . . . 38 LEU HG . 16562 1 527 . 1 1 38 38 LEU C C 13 177.357 0.400 . 1 . . . . 38 LEU C . 16562 1 528 . 1 1 38 38 LEU CA C 13 58.305 0.400 . 1 . . . . 38 LEU CA . 16562 1 529 . 1 1 38 38 LEU CB C 13 40.837 0.400 . 1 . . . . 38 LEU CB . 16562 1 530 . 1 1 38 38 LEU CD1 C 13 23.569 0.400 . 1 . . . . 38 LEU CD1 . 16562 1 531 . 1 1 38 38 LEU CD2 C 13 25.549 0.400 . 1 . . . . 38 LEU CD2 . 16562 1 532 . 1 1 38 38 LEU CG C 13 27.000 0.400 . 1 . . . . 38 LEU CG . 16562 1 533 . 1 1 38 38 LEU N N 15 119.200 0.400 . 1 . . . . 38 LEU N . 16562 1 534 . 1 1 39 39 LYS H H 1 8.083 0.020 . 1 . . . . 39 LYS H . 16562 1 535 . 1 1 39 39 LYS HA H 1 3.608 0.020 . 1 . . . . 39 LYS HA . 16562 1 536 . 1 1 39 39 LYS HB2 H 1 1.798 0.020 . 2 . . . . 39 LYS HB2 . 16562 1 537 . 1 1 39 39 LYS HB3 H 1 1.862 0.020 . 2 . . . . 39 LYS HB3 . 16562 1 538 . 1 1 39 39 LYS HD2 H 1 1.654 0.020 . 2 . . . . 39 LYS HD2 . 16562 1 539 . 1 1 39 39 LYS HD3 H 1 1.641 0.020 . 2 . . . . 39 LYS HD3 . 16562 1 540 . 1 1 39 39 LYS HE2 H 1 2.871 0.020 . 2 . . . . 39 LYS HE2 . 16562 1 541 . 1 1 39 39 LYS HE3 H 1 2.877 0.020 . 2 . . . . 39 LYS HE3 . 16562 1 542 . 1 1 39 39 LYS HG2 H 1 1.344 0.020 . 2 . . . . 39 LYS HG2 . 16562 1 543 . 1 1 39 39 LYS HG3 H 1 1.441 0.020 . 2 . . . . 39 LYS HG3 . 16562 1 544 . 1 1 39 39 LYS C C 13 177.373 0.400 . 1 . . . . 39 LYS C . 16562 1 545 . 1 1 39 39 LYS CA C 13 60.290 0.400 . 1 . . . . 39 LYS CA . 16562 1 546 . 1 1 39 39 LYS CB C 13 32.178 0.400 . 1 . . . . 39 LYS CB . 16562 1 547 . 1 1 39 39 LYS CD C 13 29.357 0.400 . 1 . . . . 39 LYS CD . 16562 1 548 . 1 1 39 39 LYS CE C 13 41.800 0.400 . 1 . . . . 39 LYS CE . 16562 1 549 . 1 1 39 39 LYS CG C 13 25.609 0.400 . 1 . . . . 39 LYS CG . 16562 1 550 . 1 1 39 39 LYS N N 15 116.943 0.400 . 1 . . . . 39 LYS N . 16562 1 551 . 1 1 40 40 LYS H H 1 7.632 0.020 . 1 . . . . 40 LYS H . 16562 1 552 . 1 1 40 40 LYS HA H 1 3.864 0.020 . 1 . . . . 40 LYS HA . 16562 1 553 . 1 1 40 40 LYS HB2 H 1 1.646 0.020 . 2 . . . . 40 LYS HB2 . 16562 1 554 . 1 1 40 40 LYS HB3 H 1 1.683 0.020 . 2 . . . . 40 LYS HB3 . 16562 1 555 . 1 1 40 40 LYS HD2 H 1 1.464 0.020 . 1 . . . . 40 LYS HD2 . 16562 1 556 . 1 1 40 40 LYS HD3 H 1 1.465 0.020 . 1 . . . . 40 LYS HD3 . 16562 1 557 . 1 1 40 40 LYS HE2 H 1 2.768 0.020 . 1 . . . . 40 LYS HE2 . 16562 1 558 . 1 1 40 40 LYS HE3 H 1 2.769 0.020 . 1 . . . . 40 LYS HE3 . 16562 1 559 . 1 1 40 40 LYS HG2 H 1 1.157 0.020 . 2 . . . . 40 LYS HG2 . 16562 1 560 . 1 1 40 40 LYS HG3 H 1 1.358 0.020 . 2 . . . . 40 LYS HG3 . 16562 1 561 . 1 1 40 40 LYS C C 13 179.566 0.400 . 1 . . . . 40 LYS C . 16562 1 562 . 1 1 40 40 LYS CA C 13 58.993 0.400 . 1 . . . . 40 LYS CA . 16562 1 563 . 1 1 40 40 LYS CB C 13 31.758 0.400 . 1 . . . . 40 LYS CB . 16562 1 564 . 1 1 40 40 LYS CD C 13 28.900 0.400 . 1 . . . . 40 LYS CD . 16562 1 565 . 1 1 40 40 LYS CE C 13 41.800 0.400 . 1 . . . . 40 LYS CE . 16562 1 566 . 1 1 40 40 LYS CG C 13 24.651 0.400 . 1 . . . . 40 LYS CG . 16562 1 567 . 1 1 40 40 LYS N N 15 118.274 0.400 . 1 . . . . 40 LYS N . 16562 1 568 . 1 1 41 41 TYR H H 1 7.823 0.020 . 1 . . . . 41 TYR H . 16562 1 569 . 1 1 41 41 TYR HA H 1 3.926 0.020 . 1 . . . . 41 TYR HA . 16562 1 570 . 1 1 41 41 TYR HB2 H 1 2.314 0.020 . 2 . . . . 41 TYR HB2 . 16562 1 571 . 1 1 41 41 TYR HB3 H 1 2.638 0.020 . 2 . . . . 41 TYR HB3 . 16562 1 572 . 1 1 41 41 TYR HD1 H 1 6.828 0.020 . 1 . . . . 41 TYR HD1 . 16562 1 573 . 1 1 41 41 TYR HD2 H 1 6.828 0.020 . 1 . . . . 41 TYR HD2 . 16562 1 574 . 1 1 41 41 TYR HE1 H 1 6.855 0.020 . 1 . . . . 41 TYR HE1 . 16562 1 575 . 1 1 41 41 TYR HE2 H 1 6.855 0.020 . 1 . . . . 41 TYR HE2 . 16562 1 576 . 1 1 41 41 TYR C C 13 176.625 0.400 . 1 . . . . 41 TYR C . 16562 1 577 . 1 1 41 41 TYR CA C 13 59.757 0.400 . 1 . . . . 41 TYR CA . 16562 1 578 . 1 1 41 41 TYR CB C 13 36.901 0.400 . 1 . . . . 41 TYR CB . 16562 1 579 . 1 1 41 41 TYR CD1 C 13 131.894 0.400 . 1 . . . . 41 TYR CD1 . 16562 1 580 . 1 1 41 41 TYR CD2 C 13 131.894 0.400 . 1 . . . . 41 TYR CD2 . 16562 1 581 . 1 1 41 41 TYR CE1 C 13 118.201 0.400 . 1 . . . . 41 TYR CE1 . 16562 1 582 . 1 1 41 41 TYR CE2 C 13 118.201 0.400 . 1 . . . . 41 TYR CE2 . 16562 1 583 . 1 1 41 41 TYR N N 15 117.811 0.400 . 1 . . . . 41 TYR N . 16562 1 584 . 1 1 42 42 LEU H H 1 7.964 0.020 . 1 . . . . 42 LEU H . 16562 1 585 . 1 1 42 42 LEU HA H 1 3.704 0.020 . 1 . . . . 42 LEU HA . 16562 1 586 . 1 1 42 42 LEU HB2 H 1 1.807 0.020 . 2 . . . . 42 LEU HB2 . 16562 1 587 . 1 1 42 42 LEU HB3 H 1 1.302 0.020 . 2 . . . . 42 LEU HB3 . 16562 1 588 . 1 1 42 42 LEU HD11 H 1 0.688 0.020 . 2 . . . . 42 LEU HD11 . 16562 1 589 . 1 1 42 42 LEU HD12 H 1 0.688 0.020 . 2 . . . . 42 LEU HD12 . 16562 1 590 . 1 1 42 42 LEU HD13 H 1 0.688 0.020 . 2 . . . . 42 LEU HD13 . 16562 1 591 . 1 1 42 42 LEU HD21 H 1 0.766 0.020 . 2 . . . . 42 LEU HD21 . 16562 1 592 . 1 1 42 42 LEU HD22 H 1 0.766 0.020 . 2 . . . . 42 LEU HD22 . 16562 1 593 . 1 1 42 42 LEU HD23 H 1 0.766 0.020 . 2 . . . . 42 LEU HD23 . 16562 1 594 . 1 1 42 42 LEU HG H 1 1.896 0.020 . 1 . . . . 42 LEU HG . 16562 1 595 . 1 1 42 42 LEU C C 13 178.396 0.400 . 1 . . . . 42 LEU C . 16562 1 596 . 1 1 42 42 LEU CA C 13 58.237 0.400 . 1 . . . . 42 LEU CA . 16562 1 597 . 1 1 42 42 LEU CB C 13 40.507 0.400 . 1 . . . . 42 LEU CB . 16562 1 598 . 1 1 42 42 LEU CD1 C 13 25.643 0.400 . 1 . . . . 42 LEU CD1 . 16562 1 599 . 1 1 42 42 LEU CD2 C 13 21.928 0.400 . 1 . . . . 42 LEU CD2 . 16562 1 600 . 1 1 42 42 LEU CG C 13 26.360 0.400 . 1 . . . . 42 LEU CG . 16562 1 601 . 1 1 42 42 LEU N N 15 115.960 0.400 . 1 . . . . 42 LEU N . 16562 1 602 . 1 1 43 43 GLU H H 1 8.193 0.020 . 1 . . . . 43 GLU H . 16562 1 603 . 1 1 43 43 GLU HA H 1 3.882 0.020 . 1 . . . . 43 GLU HA . 16562 1 604 . 1 1 43 43 GLU HB2 H 1 1.906 0.020 . 2 . . . . 43 GLU HB2 . 16562 1 605 . 1 1 43 43 GLU HB3 H 1 2.064 0.020 . 2 . . . . 43 GLU HB3 . 16562 1 606 . 1 1 43 43 GLU HG2 H 1 2.188 0.020 . 2 . . . . 43 GLU HG2 . 16562 1 607 . 1 1 43 43 GLU HG3 H 1 2.322 0.020 . 2 . . . . 43 GLU HG3 . 16562 1 608 . 1 1 43 43 GLU C C 13 179.193 0.400 . 1 . . . . 43 GLU C . 16562 1 609 . 1 1 43 43 GLU CA C 13 59.122 0.400 . 1 . . . . 43 GLU CA . 16562 1 610 . 1 1 43 43 GLU CB C 13 29.244 0.400 . 1 . . . . 43 GLU CB . 16562 1 611 . 1 1 43 43 GLU CG C 13 36.307 0.400 . 1 . . . . 43 GLU CG . 16562 1 612 . 1 1 43 43 GLU N N 15 117.175 0.400 . 1 . . . . 43 GLU N . 16562 1 613 . 1 1 44 44 GLU H H 1 7.601 0.020 . 1 . . . . 44 GLU H . 16562 1 614 . 1 1 44 44 GLU HA H 1 3.936 0.020 . 1 . . . . 44 GLU HA . 16562 1 615 . 1 1 44 44 GLU HB2 H 1 2.000 0.020 . 1 . . . . 44 GLU HB2 . 16562 1 616 . 1 1 44 44 GLU HB3 H 1 2.000 0.020 . 1 . . . . 44 GLU HB3 . 16562 1 617 . 1 1 44 44 GLU HG2 H 1 2.134 0.020 . 2 . . . . 44 GLU HG2 . 16562 1 618 . 1 1 44 44 GLU HG3 H 1 2.353 0.020 . 2 . . . . 44 GLU HG3 . 16562 1 619 . 1 1 44 44 GLU C C 13 179.875 0.400 . 1 . . . . 44 GLU C . 16562 1 620 . 1 1 44 44 GLU CA C 13 58.867 0.400 . 1 . . . . 44 GLU CA . 16562 1 621 . 1 1 44 44 GLU CB C 13 28.648 0.400 . 1 . . . . 44 GLU CB . 16562 1 622 . 1 1 44 44 GLU CG C 13 35.748 0.400 . 1 . . . . 44 GLU CG . 16562 1 623 . 1 1 44 44 GLU N N 15 120.472 0.400 . 1 . . . . 44 GLU N . 16562 1 624 . 1 1 45 45 PHE H H 1 8.260 0.020 . 1 . . . . 45 PHE H . 16562 1 625 . 1 1 45 45 PHE HA H 1 4.520 0.020 . 1 . . . . 45 PHE HA . 16562 1 626 . 1 1 45 45 PHE HB2 H 1 2.983 0.020 . 2 . . . . 45 PHE HB2 . 16562 1 627 . 1 1 45 45 PHE HB3 H 1 2.967 0.020 . 2 . . . . 45 PHE HB3 . 16562 1 628 . 1 1 45 45 PHE HD1 H 1 6.657 0.020 . 1 . . . . 45 PHE HD1 . 16562 1 629 . 1 1 45 45 PHE HD2 H 1 6.657 0.020 . 1 . . . . 45 PHE HD2 . 16562 1 630 . 1 1 45 45 PHE HE1 H 1 6.509 0.020 . 1 . . . . 45 PHE HE1 . 16562 1 631 . 1 1 45 45 PHE HE2 H 1 6.509 0.020 . 1 . . . . 45 PHE HE2 . 16562 1 632 . 1 1 45 45 PHE HZ H 1 6.139 0.020 . 1 . . . . 45 PHE HZ . 16562 1 633 . 1 1 45 45 PHE C C 13 177.942 0.400 . 1 . . . . 45 PHE C . 16562 1 634 . 1 1 45 45 PHE CA C 13 55.945 0.400 . 1 . . . . 45 PHE CA . 16562 1 635 . 1 1 45 45 PHE CB C 13 36.680 0.400 . 1 . . . . 45 PHE CB . 16562 1 636 . 1 1 45 45 PHE CD1 C 13 129.629 0.400 . 1 . . . . 45 PHE CD1 . 16562 1 637 . 1 1 45 45 PHE CD2 C 13 129.629 0.400 . 1 . . . . 45 PHE CD2 . 16562 1 638 . 1 1 45 45 PHE CE1 C 13 129.731 0.400 . 1 . . . . 45 PHE CE1 . 16562 1 639 . 1 1 45 45 PHE CE2 C 13 129.731 0.400 . 1 . . . . 45 PHE CE2 . 16562 1 640 . 1 1 45 45 PHE CZ C 13 127.521 0.400 . 1 . . . . 45 PHE CZ . 16562 1 641 . 1 1 45 45 PHE N N 15 119.272 0.400 . 1 . . . . 45 PHE N . 16562 1 642 . 1 1 46 46 ARG H H 1 8.023 0.020 . 1 . . . . 46 ARG H . 16562 1 643 . 1 1 46 46 ARG HA H 1 4.074 0.020 . 1 . . . . 46 ARG HA . 16562 1 644 . 1 1 46 46 ARG HB2 H 1 1.974 0.020 . 2 . . . . 46 ARG HB2 . 16562 1 645 . 1 1 46 46 ARG HB3 H 1 1.959 0.020 . 2 . . . . 46 ARG HB3 . 16562 1 646 . 1 1 46 46 ARG HD2 H 1 3.314 0.020 . 2 . . . . 46 ARG HD2 . 16562 1 647 . 1 1 46 46 ARG HD3 H 1 3.193 0.020 . 2 . . . . 46 ARG HD3 . 16562 1 648 . 1 1 46 46 ARG HE H 1 7.468 0.020 . 1 . . . . 46 ARG HE . 16562 1 649 . 1 1 46 46 ARG HG2 H 1 1.825 0.020 . 2 . . . . 46 ARG HG2 . 16562 1 650 . 1 1 46 46 ARG HG3 H 1 1.787 0.020 . 2 . . . . 46 ARG HG3 . 16562 1 651 . 1 1 46 46 ARG C C 13 177.617 0.400 . 1 . . . . 46 ARG C . 16562 1 652 . 1 1 46 46 ARG CA C 13 58.194 0.400 . 1 . . . . 46 ARG CA . 16562 1 653 . 1 1 46 46 ARG CB C 13 29.737 0.400 . 1 . . . . 46 ARG CB . 16562 1 654 . 1 1 46 46 ARG CD C 13 43.644 0.400 . 1 . . . . 46 ARG CD . 16562 1 655 . 1 1 46 46 ARG CG C 13 26.759 0.400 . 1 . . . . 46 ARG CG . 16562 1 656 . 1 1 46 46 ARG N N 15 118.136 0.400 . 1 . . . . 46 ARG N . 16562 1 657 . 1 1 46 46 ARG NE N 15 84.197 0.400 . 1 . . . . 46 ARG NE . 16562 1 658 . 1 1 47 47 LYS H H 1 7.470 0.020 . 1 . . . . 47 LYS H . 16562 1 659 . 1 1 47 47 LYS HA H 1 4.143 0.020 . 1 . . . . 47 LYS HA . 16562 1 660 . 1 1 47 47 LYS HB2 H 1 1.968 0.020 . 2 . . . . 47 LYS HB2 . 16562 1 661 . 1 1 47 47 LYS HB3 H 1 1.924 0.020 . 2 . . . . 47 LYS HB3 . 16562 1 662 . 1 1 47 47 LYS HD2 H 1 1.680 0.020 . 1 . . . . 47 LYS HD2 . 16562 1 663 . 1 1 47 47 LYS HD3 H 1 1.681 0.020 . 1 . . . . 47 LYS HD3 . 16562 1 664 . 1 1 47 47 LYS HE2 H 1 2.974 0.020 . 1 . . . . 47 LYS HE2 . 16562 1 665 . 1 1 47 47 LYS HE3 H 1 2.974 0.020 . 1 . . . . 47 LYS HE3 . 16562 1 666 . 1 1 47 47 LYS HG2 H 1 1.491 0.020 . 2 . . . . 47 LYS HG2 . 16562 1 667 . 1 1 47 47 LYS HG3 H 1 1.622 0.020 . 2 . . . . 47 LYS HG3 . 16562 1 668 . 1 1 47 47 LYS C C 13 177.324 0.400 . 1 . . . . 47 LYS C . 16562 1 669 . 1 1 47 47 LYS CA C 13 57.726 0.400 . 1 . . . . 47 LYS CA . 16562 1 670 . 1 1 47 47 LYS CB C 13 32.409 0.400 . 1 . . . . 47 LYS CB . 16562 1 671 . 1 1 47 47 LYS CD C 13 29.277 0.400 . 1 . . . . 47 LYS CD . 16562 1 672 . 1 1 47 47 LYS CE C 13 41.800 0.400 . 1 . . . . 47 LYS CE . 16562 1 673 . 1 1 47 47 LYS CG C 13 25.000 0.400 . 1 . . . . 47 LYS CG . 16562 1 674 . 1 1 47 47 LYS N N 15 116.943 0.400 . 1 . . . . 47 LYS N . 16562 1 675 . 1 1 48 48 GLU H H 1 7.615 0.020 . 1 . . . . 48 GLU H . 16562 1 676 . 1 1 48 48 GLU HA H 1 4.428 0.020 . 1 . . . . 48 GLU HA . 16562 1 677 . 1 1 48 48 GLU HB2 H 1 2.298 0.020 . 2 . . . . 48 GLU HB2 . 16562 1 678 . 1 1 48 48 GLU HB3 H 1 2.047 0.020 . 2 . . . . 48 GLU HB3 . 16562 1 679 . 1 1 48 48 GLU HG2 H 1 2.333 0.020 . 2 . . . . 48 GLU HG2 . 16562 1 680 . 1 1 48 48 GLU HG3 H 1 2.429 0.020 . 2 . . . . 48 GLU HG3 . 16562 1 681 . 1 1 48 48 GLU C C 13 176.869 0.400 . 1 . . . . 48 GLU C . 16562 1 682 . 1 1 48 48 GLU CA C 13 55.945 0.400 . 1 . . . . 48 GLU CA . 16562 1 683 . 1 1 48 48 GLU CB C 13 29.696 0.400 . 1 . . . . 48 GLU CB . 16562 1 684 . 1 1 48 48 GLU CG C 13 35.741 0.400 . 1 . . . . 48 GLU CG . 16562 1 685 . 1 1 48 48 GLU N N 15 118.852 0.400 . 1 . . . . 48 GLU N . 16562 1 686 . 1 1 49 49 SER H H 1 7.725 0.020 . 1 . . . . 49 SER H . 16562 1 687 . 1 1 49 49 SER HA H 1 4.244 0.020 . 1 . . . . 49 SER HA . 16562 1 688 . 1 1 49 49 SER HB2 H 1 4.058 0.020 . 2 . . . . 49 SER HB2 . 16562 1 689 . 1 1 49 49 SER HB3 H 1 3.856 0.020 . 2 . . . . 49 SER HB3 . 16562 1 690 . 1 1 49 49 SER C C 13 174.838 0.400 . 1 . . . . 49 SER C . 16562 1 691 . 1 1 49 49 SER CA C 13 59.366 0.400 . 1 . . . . 49 SER CA . 16562 1 692 . 1 1 49 49 SER CB C 13 63.116 0.400 . 1 . . . . 49 SER CB . 16562 1 693 . 1 1 49 49 SER N N 15 114.224 0.400 . 1 . . . . 49 SER N . 16562 1 694 . 1 1 50 50 GLN H H 1 8.548 0.020 . 1 . . . . 50 GLN H . 16562 1 695 . 1 1 50 50 GLN HA H 1 4.398 0.020 . 1 . . . . 50 GLN HA . 16562 1 696 . 1 1 50 50 GLN HB2 H 1 2.023 0.020 . 2 . . . . 50 GLN HB2 . 16562 1 697 . 1 1 50 50 GLN HB3 H 1 2.174 0.020 . 2 . . . . 50 GLN HB3 . 16562 1 698 . 1 1 50 50 GLN HE21 H 1 6.919 0.020 . 2 . . . . 50 GLN HE21 . 16562 1 699 . 1 1 50 50 GLN HE22 H 1 7.623 0.020 . 2 . . . . 50 GLN HE22 . 16562 1 700 . 1 1 50 50 GLN HG2 H 1 2.400 0.020 . 2 . . . . 50 GLN HG2 . 16562 1 701 . 1 1 50 50 GLN HG3 H 1 2.431 0.020 . 2 . . . . 50 GLN HG3 . 16562 1 702 . 1 1 50 50 GLN C C 13 175.732 0.400 . 1 . . . . 50 GLN C . 16562 1 703 . 1 1 50 50 GLN CA C 13 56.272 0.400 . 1 . . . . 50 GLN CA . 16562 1 704 . 1 1 50 50 GLN CB C 13 28.946 0.400 . 1 . . . . 50 GLN CB . 16562 1 705 . 1 1 50 50 GLN CG C 13 33.905 0.400 . 1 . . . . 50 GLN CG . 16562 1 706 . 1 1 50 50 GLN N N 15 120.125 0.400 . 1 . . . . 50 GLN N . 16562 1 707 . 1 1 50 50 GLN NE2 N 15 112.801 0.400 . 1 . . . . 50 GLN NE2 . 16562 1 708 . 1 1 51 51 ASN H H 1 8.534 0.020 . 1 . . . . 51 ASN H . 16562 1 709 . 1 1 51 51 ASN HA H 1 4.980 0.020 . 1 . . . . 51 ASN HA . 16562 1 710 . 1 1 51 51 ASN HB2 H 1 2.946 0.020 . 2 . . . . 51 ASN HB2 . 16562 1 711 . 1 1 51 51 ASN HB3 H 1 2.675 0.020 . 2 . . . . 51 ASN HB3 . 16562 1 712 . 1 1 51 51 ASN HD21 H 1 6.978 0.020 . 2 . . . . 51 ASN HD21 . 16562 1 713 . 1 1 51 51 ASN HD22 H 1 7.685 0.020 . 2 . . . . 51 ASN HD22 . 16562 1 714 . 1 1 51 51 ASN C C 13 173.717 0.400 . 1 . . . . 51 ASN C . 16562 1 715 . 1 1 51 51 ASN CA C 13 52.804 0.400 . 1 . . . . 51 ASN CA . 16562 1 716 . 1 1 51 51 ASN CB C 13 39.583 0.400 . 1 . . . . 51 ASN CB . 16562 1 717 . 1 1 51 51 ASN N N 15 118.158 0.400 . 1 . . . . 51 ASN N . 16562 1 718 . 1 1 51 51 ASN ND2 N 15 112.977 0.400 . 1 . . . . 51 ASN ND2 . 16562 1 719 . 1 1 52 52 ILE H H 1 7.492 0.020 . 1 . . . . 52 ILE H . 16562 1 720 . 1 1 52 52 ILE HA H 1 5.338 0.020 . 1 . . . . 52 ILE HA . 16562 1 721 . 1 1 52 52 ILE HB H 1 1.670 0.020 . 1 . . . . 52 ILE HB . 16562 1 722 . 1 1 52 52 ILE HD11 H 1 0.694 0.020 . 1 . . . . 52 ILE HD11 . 16562 1 723 . 1 1 52 52 ILE HD12 H 1 0.694 0.020 . 1 . . . . 52 ILE HD12 . 16562 1 724 . 1 1 52 52 ILE HD13 H 1 0.694 0.020 . 1 . . . . 52 ILE HD13 . 16562 1 725 . 1 1 52 52 ILE HG12 H 1 1.042 0.020 . 2 . . . . 52 ILE HG12 . 16562 1 726 . 1 1 52 52 ILE HG13 H 1 1.457 0.020 . 2 . . . . 52 ILE HG13 . 16562 1 727 . 1 1 52 52 ILE HG21 H 1 0.778 0.020 . 1 . . . . 52 ILE HG21 . 16562 1 728 . 1 1 52 52 ILE HG22 H 1 0.778 0.020 . 1 . . . . 52 ILE HG22 . 16562 1 729 . 1 1 52 52 ILE HG23 H 1 0.778 0.020 . 1 . . . . 52 ILE HG23 . 16562 1 730 . 1 1 52 52 ILE C C 13 175.049 0.400 . 1 . . . . 52 ILE C . 16562 1 731 . 1 1 52 52 ILE CA C 13 59.364 0.400 . 1 . . . . 52 ILE CA . 16562 1 732 . 1 1 52 52 ILE CB C 13 42.163 0.400 . 1 . . . . 52 ILE CB . 16562 1 733 . 1 1 52 52 ILE CD1 C 13 14.375 0.400 . 1 . . . . 52 ILE CD1 . 16562 1 734 . 1 1 52 52 ILE CG1 C 13 27.191 0.400 . 1 . . . . 52 ILE CG1 . 16562 1 735 . 1 1 52 52 ILE CG2 C 13 17.781 0.400 . 1 . . . . 52 ILE CG2 . 16562 1 736 . 1 1 52 52 ILE N N 15 117.927 0.400 . 1 . . . . 52 ILE N . 16562 1 737 . 1 1 53 53 LYS H H 1 8.467 0.020 . 1 . . . . 53 LYS H . 16562 1 738 . 1 1 53 53 LYS HA H 1 5.044 0.020 . 1 . . . . 53 LYS HA . 16562 1 739 . 1 1 53 53 LYS HB2 H 1 1.841 0.020 . 2 . . . . 53 LYS HB2 . 16562 1 740 . 1 1 53 53 LYS HB3 H 1 1.685 0.020 . 2 . . . . 53 LYS HB3 . 16562 1 741 . 1 1 53 53 LYS HD2 H 1 1.459 0.020 . 2 . . . . 53 LYS HD2 . 16562 1 742 . 1 1 53 53 LYS HD3 H 1 1.552 0.020 . 2 . . . . 53 LYS HD3 . 16562 1 743 . 1 1 53 53 LYS HE2 H 1 2.830 0.020 . 2 . . . . 53 LYS HE2 . 16562 1 744 . 1 1 53 53 LYS HE3 H 1 2.833 0.020 . 2 . . . . 53 LYS HE3 . 16562 1 745 . 1 1 53 53 LYS HG2 H 1 1.463 0.020 . 2 . . . . 53 LYS HG2 . 16562 1 746 . 1 1 53 53 LYS HG3 H 1 1.468 0.020 . 2 . . . . 53 LYS HG3 . 16562 1 747 . 1 1 53 53 LYS C C 13 175.082 0.400 . 1 . . . . 53 LYS C . 16562 1 748 . 1 1 53 53 LYS CA C 13 55.429 0.400 . 1 . . . . 53 LYS CA . 16562 1 749 . 1 1 53 53 LYS CB C 13 36.446 0.400 . 1 . . . . 53 LYS CB . 16562 1 750 . 1 1 53 53 LYS CD C 13 29.437 0.400 . 1 . . . . 53 LYS CD . 16562 1 751 . 1 1 53 53 LYS CE C 13 41.800 0.400 . 1 . . . . 53 LYS CE . 16562 1 752 . 1 1 53 53 LYS CG C 13 25.000 0.400 . 1 . . . . 53 LYS CG . 16562 1 753 . 1 1 53 53 LYS N N 15 123.249 0.400 . 1 . . . . 53 LYS N . 16562 1 754 . 1 1 54 54 VAL H H 1 8.490 0.020 . 1 . . . . 54 VAL H . 16562 1 755 . 1 1 54 54 VAL HA H 1 5.159 0.020 . 1 . . . . 54 VAL HA . 16562 1 756 . 1 1 54 54 VAL HB H 1 1.885 0.020 . 1 . . . . 54 VAL HB . 16562 1 757 . 1 1 54 54 VAL HG11 H 1 0.761 0.020 . 2 . . . . 54 VAL HG11 . 16562 1 758 . 1 1 54 54 VAL HG12 H 1 0.761 0.020 . 2 . . . . 54 VAL HG12 . 16562 1 759 . 1 1 54 54 VAL HG13 H 1 0.761 0.020 . 2 . . . . 54 VAL HG13 . 16562 1 760 . 1 1 54 54 VAL HG21 H 1 0.654 0.020 . 2 . . . . 54 VAL HG21 . 16562 1 761 . 1 1 54 54 VAL HG22 H 1 0.654 0.020 . 2 . . . . 54 VAL HG22 . 16562 1 762 . 1 1 54 54 VAL HG23 H 1 0.654 0.020 . 2 . . . . 54 VAL HG23 . 16562 1 763 . 1 1 54 54 VAL C C 13 173.473 0.400 . 1 . . . . 54 VAL C . 16562 1 764 . 1 1 54 54 VAL CA C 13 60.163 0.400 . 1 . . . . 54 VAL CA . 16562 1 765 . 1 1 54 54 VAL CB C 13 35.509 0.400 . 1 . . . . 54 VAL CB . 16562 1 766 . 1 1 54 54 VAL CG1 C 13 21.392 0.400 . 1 . . . . 54 VAL CG1 . 16562 1 767 . 1 1 54 54 VAL CG2 C 13 22.122 0.400 . 1 . . . . 54 VAL CG2 . 16562 1 768 . 1 1 54 54 VAL N N 15 120.762 0.400 . 1 . . . . 54 VAL N . 16562 1 769 . 1 1 55 55 LEU H H 1 8.636 0.020 . 1 . . . . 55 LEU H . 16562 1 770 . 1 1 55 55 LEU HA H 1 4.670 0.020 . 1 . . . . 55 LEU HA . 16562 1 771 . 1 1 55 55 LEU HB2 H 1 -0.629 0.020 . 2 . . . . 55 LEU HB2 . 16562 1 772 . 1 1 55 55 LEU HB3 H 1 1.028 0.020 . 2 . . . . 55 LEU HB3 . 16562 1 773 . 1 1 55 55 LEU HD11 H 1 0.436 0.020 . 2 . . . . 55 LEU HD11 . 16562 1 774 . 1 1 55 55 LEU HD12 H 1 0.436 0.020 . 2 . . . . 55 LEU HD12 . 16562 1 775 . 1 1 55 55 LEU HD13 H 1 0.436 0.020 . 2 . . . . 55 LEU HD13 . 16562 1 776 . 1 1 55 55 LEU HD21 H 1 0.508 0.020 . 2 . . . . 55 LEU HD21 . 16562 1 777 . 1 1 55 55 LEU HD22 H 1 0.508 0.020 . 2 . . . . 55 LEU HD22 . 16562 1 778 . 1 1 55 55 LEU HD23 H 1 0.508 0.020 . 2 . . . . 55 LEU HD23 . 16562 1 779 . 1 1 55 55 LEU HG H 1 0.965 0.020 . 1 . . . . 55 LEU HG . 16562 1 780 . 1 1 55 55 LEU C C 13 173.652 0.400 . 1 . . . . 55 LEU C . 16562 1 781 . 1 1 55 55 LEU CA C 13 52.289 0.400 . 1 . . . . 55 LEU CA . 16562 1 782 . 1 1 55 55 LEU CB C 13 42.070 0.400 . 1 . . . . 55 LEU CB . 16562 1 783 . 1 1 55 55 LEU CD1 C 13 22.304 0.400 . 1 . . . . 55 LEU CD1 . 16562 1 784 . 1 1 55 55 LEU CD2 C 13 26.144 0.400 . 1 . . . . 55 LEU CD2 . 16562 1 785 . 1 1 55 55 LEU CG C 13 27.000 0.400 . 1 . . . . 55 LEU CG . 16562 1 786 . 1 1 55 55 LEU N N 15 131.898 0.400 . 1 . . . . 55 LEU N . 16562 1 787 . 1 1 56 56 ILE H H 1 9.188 0.020 . 1 . . . . 56 ILE H . 16562 1 788 . 1 1 56 56 ILE HA H 1 4.879 0.020 . 1 . . . . 56 ILE HA . 16562 1 789 . 1 1 56 56 ILE HB H 1 1.763 0.020 . 1 . . . . 56 ILE HB . 16562 1 790 . 1 1 56 56 ILE HD11 H 1 0.707 0.020 . 1 . . . . 56 ILE HD11 . 16562 1 791 . 1 1 56 56 ILE HD12 H 1 0.707 0.020 . 1 . . . . 56 ILE HD12 . 16562 1 792 . 1 1 56 56 ILE HD13 H 1 0.707 0.020 . 1 . . . . 56 ILE HD13 . 16562 1 793 . 1 1 56 56 ILE HG12 H 1 1.531 0.020 . 2 . . . . 56 ILE HG12 . 16562 1 794 . 1 1 56 56 ILE HG13 H 1 0.714 0.020 . 2 . . . . 56 ILE HG13 . 16562 1 795 . 1 1 56 56 ILE HG21 H 1 0.599 0.020 . 1 . . . . 56 ILE HG21 . 16562 1 796 . 1 1 56 56 ILE HG22 H 1 0.599 0.020 . 1 . . . . 56 ILE HG22 . 16562 1 797 . 1 1 56 56 ILE HG23 H 1 0.599 0.020 . 1 . . . . 56 ILE HG23 . 16562 1 798 . 1 1 56 56 ILE C C 13 174.172 0.400 . 1 . . . . 56 ILE C . 16562 1 799 . 1 1 56 56 ILE CA C 13 59.976 0.400 . 1 . . . . 56 ILE CA . 16562 1 800 . 1 1 56 56 ILE CB C 13 38.181 0.400 . 1 . . . . 56 ILE CB . 16562 1 801 . 1 1 56 56 ILE CD1 C 13 13.817 0.400 . 1 . . . . 56 ILE CD1 . 16562 1 802 . 1 1 56 56 ILE CG1 C 13 27.600 0.400 . 1 . . . . 56 ILE CG1 . 16562 1 803 . 1 1 56 56 ILE CG2 C 13 16.631 0.400 . 1 . . . . 56 ILE CG2 . 16562 1 804 . 1 1 56 56 ILE N N 15 126.373 0.400 . 1 . . . . 56 ILE N . 16562 1 805 . 1 1 57 57 LEU H H 1 8.929 0.020 . 1 . . . . 57 LEU H . 16562 1 806 . 1 1 57 57 LEU HA H 1 5.394 0.020 . 1 . . . . 57 LEU HA . 16562 1 807 . 1 1 57 57 LEU HB2 H 1 1.195 0.020 . 2 . . . . 57 LEU HB2 . 16562 1 808 . 1 1 57 57 LEU HB3 H 1 1.824 0.020 . 2 . . . . 57 LEU HB3 . 16562 1 809 . 1 1 57 57 LEU HD11 H 1 0.827 0.020 . 2 . . . . 57 LEU HD11 . 16562 1 810 . 1 1 57 57 LEU HD12 H 1 0.827 0.020 . 2 . . . . 57 LEU HD12 . 16562 1 811 . 1 1 57 57 LEU HD13 H 1 0.827 0.020 . 2 . . . . 57 LEU HD13 . 16562 1 812 . 1 1 57 57 LEU HD21 H 1 0.795 0.020 . 2 . . . . 57 LEU HD21 . 16562 1 813 . 1 1 57 57 LEU HD22 H 1 0.795 0.020 . 2 . . . . 57 LEU HD22 . 16562 1 814 . 1 1 57 57 LEU HD23 H 1 0.795 0.020 . 2 . . . . 57 LEU HD23 . 16562 1 815 . 1 1 57 57 LEU HG H 1 1.501 0.020 . 1 . . . . 57 LEU HG . 16562 1 816 . 1 1 57 57 LEU C C 13 175.358 0.400 . 1 . . . . 57 LEU C . 16562 1 817 . 1 1 57 57 LEU CA C 13 52.086 0.400 . 1 . . . . 57 LEU CA . 16562 1 818 . 1 1 57 57 LEU CB C 13 42.445 0.400 . 1 . . . . 57 LEU CB . 16562 1 819 . 1 1 57 57 LEU CD1 C 13 23.910 0.400 . 1 . . . . 57 LEU CD1 . 16562 1 820 . 1 1 57 57 LEU CD2 C 13 25.483 0.400 . 1 . . . . 57 LEU CD2 . 16562 1 821 . 1 1 57 57 LEU CG C 13 26.281 0.400 . 1 . . . . 57 LEU CG . 16562 1 822 . 1 1 57 57 LEU N N 15 126.547 0.400 . 1 . . . . 57 LEU N . 16562 1 823 . 1 1 58 58 VAL H H 1 8.542 0.020 . 1 . . . . 58 VAL H . 16562 1 824 . 1 1 58 58 VAL HA H 1 5.253 0.020 . 1 . . . . 58 VAL HA . 16562 1 825 . 1 1 58 58 VAL HB H 1 2.598 0.020 . 1 . . . . 58 VAL HB . 16562 1 826 . 1 1 58 58 VAL HG11 H 1 0.720 0.020 . 2 . . . . 58 VAL HG11 . 16562 1 827 . 1 1 58 58 VAL HG12 H 1 0.720 0.020 . 2 . . . . 58 VAL HG12 . 16562 1 828 . 1 1 58 58 VAL HG13 H 1 0.720 0.020 . 2 . . . . 58 VAL HG13 . 16562 1 829 . 1 1 58 58 VAL HG21 H 1 0.675 0.020 . 2 . . . . 58 VAL HG21 . 16562 1 830 . 1 1 58 58 VAL HG22 H 1 0.675 0.020 . 2 . . . . 58 VAL HG22 . 16562 1 831 . 1 1 58 58 VAL HG23 H 1 0.675 0.020 . 2 . . . . 58 VAL HG23 . 16562 1 832 . 1 1 58 58 VAL C C 13 175.244 0.400 . 1 . . . . 58 VAL C . 16562 1 833 . 1 1 58 58 VAL CA C 13 58.241 0.400 . 1 . . . . 58 VAL CA . 16562 1 834 . 1 1 58 58 VAL CB C 13 33.165 0.400 . 1 . . . . 58 VAL CB . 16562 1 835 . 1 1 58 58 VAL CG1 C 13 21.780 0.400 . 1 . . . . 58 VAL CG1 . 16562 1 836 . 1 1 58 58 VAL CG2 C 13 19.320 0.400 . 1 . . . . 58 VAL CG2 . 16562 1 837 . 1 1 58 58 VAL N N 15 114.398 0.400 . 1 . . . . 58 VAL N . 16562 1 838 . 1 1 59 59 SER H H 1 8.797 0.020 . 1 . . . . 59 SER H . 16562 1 839 . 1 1 59 59 SER HA H 1 5.063 0.020 . 1 . . . . 59 SER HA . 16562 1 840 . 1 1 59 59 SER HB2 H 1 4.158 0.020 . 2 . . . . 59 SER HB2 . 16562 1 841 . 1 1 59 59 SER HB3 H 1 4.037 0.020 . 2 . . . . 59 SER HB3 . 16562 1 842 . 1 1 59 59 SER C C 13 174.172 0.400 . 1 . . . . 59 SER C . 16562 1 843 . 1 1 59 59 SER CA C 13 59.320 0.400 . 1 . . . . 59 SER CA . 16562 1 844 . 1 1 59 59 SER CB C 13 65.600 0.400 . 1 . . . . 59 SER CB . 16562 1 845 . 1 1 59 59 SER N N 15 115.497 0.400 . 1 . . . . 59 SER N . 16562 1 846 . 1 1 60 60 ASN H H 1 7.730 0.020 . 1 . . . . 60 ASN H . 16562 1 847 . 1 1 60 60 ASN HA H 1 4.811 0.020 . 1 . . . . 60 ASN HA . 16562 1 848 . 1 1 60 60 ASN HB2 H 1 2.892 0.020 . 2 . . . . 60 ASN HB2 . 16562 1 849 . 1 1 60 60 ASN HB3 H 1 3.058 0.020 . 2 . . . . 60 ASN HB3 . 16562 1 850 . 1 1 60 60 ASN HD21 H 1 6.872 0.020 . 2 . . . . 60 ASN HD21 . 16562 1 851 . 1 1 60 60 ASN HD22 H 1 7.374 0.020 . 2 . . . . 60 ASN HD22 . 16562 1 852 . 1 1 60 60 ASN C C 13 174.464 0.400 . 1 . . . . 60 ASN C . 16562 1 853 . 1 1 60 60 ASN CA C 13 52.007 0.400 . 1 . . . . 60 ASN CA . 16562 1 854 . 1 1 60 60 ASN CB C 13 40.336 0.400 . 1 . . . . 60 ASN CB . 16562 1 855 . 1 1 60 60 ASN N N 15 117.522 0.400 . 1 . . . . 60 ASN N . 16562 1 856 . 1 1 60 60 ASN ND2 N 15 113.684 0.400 . 1 . . . . 60 ASN ND2 . 16562 1 857 . 1 1 61 61 ASP H H 1 8.577 0.020 . 1 . . . . 61 ASP H . 16562 1 858 . 1 1 61 61 ASP HA H 1 4.365 0.020 . 1 . . . . 61 ASP HA . 16562 1 859 . 1 1 61 61 ASP HB2 H 1 2.509 0.020 . 2 . . . . 61 ASP HB2 . 16562 1 860 . 1 1 61 61 ASP HB3 H 1 2.732 0.020 . 2 . . . . 61 ASP HB3 . 16562 1 861 . 1 1 61 61 ASP C C 13 177.357 0.400 . 1 . . . . 61 ASP C . 16562 1 862 . 1 1 61 61 ASP CA C 13 57.351 0.400 . 1 . . . . 61 ASP CA . 16562 1 863 . 1 1 61 61 ASP CB C 13 40.383 0.400 . 1 . . . . 61 ASP CB . 16562 1 864 . 1 1 61 61 ASP N N 15 119.431 0.400 . 1 . . . . 61 ASP N . 16562 1 865 . 1 1 62 62 GLU H H 1 8.405 0.020 . 1 . . . . 62 GLU H . 16562 1 866 . 1 1 62 62 GLU HA H 1 4.121 0.020 . 1 . . . . 62 GLU HA . 16562 1 867 . 1 1 62 62 GLU HB2 H 1 2.015 0.020 . 2 . . . . 62 GLU HB2 . 16562 1 868 . 1 1 62 62 GLU HB3 H 1 2.088 0.020 . 2 . . . . 62 GLU HB3 . 16562 1 869 . 1 1 62 62 GLU HG2 H 1 2.263 0.020 . 1 . . . . 62 GLU HG2 . 16562 1 870 . 1 1 62 62 GLU HG3 H 1 2.263 0.020 . 1 . . . . 62 GLU HG3 . 16562 1 871 . 1 1 62 62 GLU C C 13 179.615 0.400 . 1 . . . . 62 GLU C . 16562 1 872 . 1 1 62 62 GLU CA C 13 59.593 0.400 . 1 . . . . 62 GLU CA . 16562 1 873 . 1 1 62 62 GLU CB C 13 28.478 0.400 . 1 . . . . 62 GLU CB . 16562 1 874 . 1 1 62 62 GLU CG C 13 36.626 0.400 . 1 . . . . 62 GLU CG . 16562 1 875 . 1 1 62 62 GLU N N 15 122.150 0.400 . 1 . . . . 62 GLU N . 16562 1 876 . 1 1 63 63 GLU H H 1 8.384 0.020 . 1 . . . . 63 GLU H . 16562 1 877 . 1 1 63 63 GLU HA H 1 3.913 0.020 . 1 . . . . 63 GLU HA . 16562 1 878 . 1 1 63 63 GLU HB2 H 1 2.197 0.020 . 2 . . . . 63 GLU HB2 . 16562 1 879 . 1 1 63 63 GLU HB3 H 1 1.778 0.020 . 2 . . . . 63 GLU HB3 . 16562 1 880 . 1 1 63 63 GLU HG2 H 1 2.295 0.020 . 2 . . . . 63 GLU HG2 . 16562 1 881 . 1 1 63 63 GLU HG3 H 1 2.515 0.020 . 2 . . . . 63 GLU HG3 . 16562 1 882 . 1 1 63 63 GLU C C 13 178.478 0.400 . 1 . . . . 63 GLU C . 16562 1 883 . 1 1 63 63 GLU CA C 13 58.273 0.400 . 1 . . . . 63 GLU CA . 16562 1 884 . 1 1 63 63 GLU CB C 13 29.931 0.400 . 1 . . . . 63 GLU CB . 16562 1 885 . 1 1 63 63 GLU CG C 13 36.000 0.400 . 1 . . . . 63 GLU CG . 16562 1 886 . 1 1 63 63 GLU N N 15 119.084 0.400 . 1 . . . . 63 GLU N . 16562 1 887 . 1 1 64 64 LEU H H 1 7.717 0.020 . 1 . . . . 64 LEU H . 16562 1 888 . 1 1 64 64 LEU HA H 1 3.750 0.020 . 1 . . . . 64 LEU HA . 16562 1 889 . 1 1 64 64 LEU HB2 H 1 2.112 0.020 . 2 . . . . 64 LEU HB2 . 16562 1 890 . 1 1 64 64 LEU HB3 H 1 1.490 0.020 . 2 . . . . 64 LEU HB3 . 16562 1 891 . 1 1 64 64 LEU HD11 H 1 0.741 0.020 . 2 . . . . 64 LEU HD11 . 16562 1 892 . 1 1 64 64 LEU HD12 H 1 0.741 0.020 . 2 . . . . 64 LEU HD12 . 16562 1 893 . 1 1 64 64 LEU HD13 H 1 0.741 0.020 . 2 . . . . 64 LEU HD13 . 16562 1 894 . 1 1 64 64 LEU HD21 H 1 0.862 0.020 . 2 . . . . 64 LEU HD21 . 16562 1 895 . 1 1 64 64 LEU HD22 H 1 0.862 0.020 . 2 . . . . 64 LEU HD22 . 16562 1 896 . 1 1 64 64 LEU HD23 H 1 0.862 0.020 . 2 . . . . 64 LEU HD23 . 16562 1 897 . 1 1 64 64 LEU HG H 1 1.480 0.020 . 1 . . . . 64 LEU HG . 16562 1 898 . 1 1 64 64 LEU C C 13 177.535 0.400 . 1 . . . . 64 LEU C . 16562 1 899 . 1 1 64 64 LEU CA C 13 58.944 0.400 . 1 . . . . 64 LEU CA . 16562 1 900 . 1 1 64 64 LEU CB C 13 41.695 0.400 . 1 . . . . 64 LEU CB . 16562 1 901 . 1 1 64 64 LEU CD1 C 13 24.355 0.400 . 1 . . . . 64 LEU CD1 . 16562 1 902 . 1 1 64 64 LEU CD2 C 13 25.460 0.400 . 1 . . . . 64 LEU CD2 . 16562 1 903 . 1 1 64 64 LEU CG C 13 27.000 0.400 . 1 . . . . 64 LEU CG . 16562 1 904 . 1 1 64 64 LEU N N 15 120.357 0.400 . 1 . . . . 64 LEU N . 16562 1 905 . 1 1 65 65 ASP H H 1 7.922 0.020 . 1 . . . . 65 ASP H . 16562 1 906 . 1 1 65 65 ASP HA H 1 4.313 0.020 . 1 . . . . 65 ASP HA . 16562 1 907 . 1 1 65 65 ASP HB2 H 1 2.714 0.020 . 2 . . . . 65 ASP HB2 . 16562 1 908 . 1 1 65 65 ASP HB3 H 1 2.641 0.020 . 2 . . . . 65 ASP HB3 . 16562 1 909 . 1 1 65 65 ASP C C 13 179.095 0.400 . 1 . . . . 65 ASP C . 16562 1 910 . 1 1 65 65 ASP CA C 13 57.272 0.400 . 1 . . . . 65 ASP CA . 16562 1 911 . 1 1 65 65 ASP CB C 13 40.196 0.400 . 1 . . . . 65 ASP CB . 16562 1 912 . 1 1 65 65 ASP N N 15 118.100 0.400 . 1 . . . . 65 ASP N . 16562 1 913 . 1 1 66 66 LYS H H 1 7.802 0.020 . 1 . . . . 66 LYS H . 16562 1 914 . 1 1 66 66 LYS HA H 1 4.078 0.020 . 1 . . . . 66 LYS HA . 16562 1 915 . 1 1 66 66 LYS HB2 H 1 1.766 0.020 . 2 . . . . 66 LYS HB2 . 16562 1 916 . 1 1 66 66 LYS HB3 H 1 1.861 0.020 . 2 . . . . 66 LYS HB3 . 16562 1 917 . 1 1 66 66 LYS HD2 H 1 1.601 0.020 . 2 . . . . 66 LYS HD2 . 16562 1 918 . 1 1 66 66 LYS HD3 H 1 1.701 0.020 . 2 . . . . 66 LYS HD3 . 16562 1 919 . 1 1 66 66 LYS HE2 H 1 2.895 0.020 . 2 . . . . 66 LYS HE2 . 16562 1 920 . 1 1 66 66 LYS HE3 H 1 2.901 0.020 . 2 . . . . 66 LYS HE3 . 16562 1 921 . 1 1 66 66 LYS HG2 H 1 1.491 0.020 . 2 . . . . 66 LYS HG2 . 16562 1 922 . 1 1 66 66 LYS HG3 H 1 1.493 0.020 . 2 . . . . 66 LYS HG3 . 16562 1 923 . 1 1 66 66 LYS C C 13 178.624 0.400 . 1 . . . . 66 LYS C . 16562 1 924 . 1 1 66 66 LYS CA C 13 58.429 0.400 . 1 . . . . 66 LYS CA . 16562 1 925 . 1 1 66 66 LYS CB C 13 31.727 0.400 . 1 . . . . 66 LYS CB . 16562 1 926 . 1 1 66 66 LYS CD C 13 27.818 0.400 . 1 . . . . 66 LYS CD . 16562 1 927 . 1 1 66 66 LYS CE C 13 41.800 0.400 . 1 . . . . 66 LYS CE . 16562 1 928 . 1 1 66 66 LYS CG C 13 24.579 0.400 . 1 . . . . 66 LYS CG . 16562 1 929 . 1 1 66 66 LYS N N 15 119.343 0.400 . 1 . . . . 66 LYS N . 16562 1 930 . 1 1 67 67 ALA H H 1 8.480 0.020 . 1 . . . . 67 ALA H . 16562 1 931 . 1 1 67 67 ALA HA H 1 3.853 0.020 . 1 . . . . 67 ALA HA . 16562 1 932 . 1 1 67 67 ALA HB1 H 1 1.336 0.020 . 1 . . . . 67 ALA HB1 . 16562 1 933 . 1 1 67 67 ALA HB2 H 1 1.336 0.020 . 1 . . . . 67 ALA HB2 . 16562 1 934 . 1 1 67 67 ALA HB3 H 1 1.336 0.020 . 1 . . . . 67 ALA HB3 . 16562 1 935 . 1 1 67 67 ALA C C 13 178.591 0.400 . 1 . . . . 67 ALA C . 16562 1 936 . 1 1 67 67 ALA CA C 13 55.403 0.400 . 1 . . . . 67 ALA CA . 16562 1 937 . 1 1 67 67 ALA CB C 13 17.793 0.400 . 1 . . . . 67 ALA CB . 16562 1 938 . 1 1 67 67 ALA N N 15 121.562 0.400 . 1 . . . . 67 ALA N . 16562 1 939 . 1 1 68 68 LYS H H 1 8.186 0.020 . 1 . . . . 68 LYS H . 16562 1 940 . 1 1 68 68 LYS HA H 1 3.805 0.020 . 1 . . . . 68 LYS HA . 16562 1 941 . 1 1 68 68 LYS HB2 H 1 1.838 0.020 . 2 . . . . 68 LYS HB2 . 16562 1 942 . 1 1 68 68 LYS HB3 H 1 1.871 0.020 . 2 . . . . 68 LYS HB3 . 16562 1 943 . 1 1 68 68 LYS HD2 H 1 1.652 0.020 . 1 . . . . 68 LYS HD2 . 16562 1 944 . 1 1 68 68 LYS HD3 H 1 1.651 0.020 . 1 . . . . 68 LYS HD3 . 16562 1 945 . 1 1 68 68 LYS HE2 H 1 2.910 0.020 . 2 . . . . 68 LYS HE2 . 16562 1 946 . 1 1 68 68 LYS HE3 H 1 2.908 0.020 . 2 . . . . 68 LYS HE3 . 16562 1 947 . 1 1 68 68 LYS HG2 H 1 1.642 0.020 . 2 . . . . 68 LYS HG2 . 16562 1 948 . 1 1 68 68 LYS HG3 H 1 1.348 0.020 . 2 . . . . 68 LYS HG3 . 16562 1 949 . 1 1 68 68 LYS C C 13 179.095 0.400 . 1 . . . . 68 LYS C . 16562 1 950 . 1 1 68 68 LYS CA C 13 59.952 0.400 . 1 . . . . 68 LYS CA . 16562 1 951 . 1 1 68 68 LYS CB C 13 32.181 0.400 . 1 . . . . 68 LYS CB . 16562 1 952 . 1 1 68 68 LYS CD C 13 29.516 0.400 . 1 . . . . 68 LYS CD . 16562 1 953 . 1 1 68 68 LYS CE C 13 41.800 0.400 . 1 . . . . 68 LYS CE . 16562 1 954 . 1 1 68 68 LYS CG C 13 25.261 0.400 . 1 . . . . 68 LYS CG . 16562 1 955 . 1 1 68 68 LYS N N 15 116.165 0.400 . 1 . . . . 68 LYS N . 16562 1 956 . 1 1 69 69 GLU H H 1 7.904 0.020 . 1 . . . . 69 GLU H . 16562 1 957 . 1 1 69 69 GLU HA H 1 3.995 0.020 . 1 . . . . 69 GLU HA . 16562 1 958 . 1 1 69 69 GLU HB2 H 1 2.126 0.020 . 1 . . . . 69 GLU HB2 . 16562 1 959 . 1 1 69 69 GLU HB3 H 1 2.126 0.020 . 1 . . . . 69 GLU HB3 . 16562 1 960 . 1 1 69 69 GLU HG2 H 1 2.126 0.020 . 2 . . . . 69 GLU HG2 . 16562 1 961 . 1 1 69 69 GLU HG3 H 1 2.340 0.020 . 2 . . . . 69 GLU HG3 . 16562 1 962 . 1 1 69 69 GLU C C 13 179.079 0.400 . 1 . . . . 69 GLU C . 16562 1 963 . 1 1 69 69 GLU CA C 13 59.022 0.400 . 1 . . . . 69 GLU CA . 16562 1 964 . 1 1 69 69 GLU CB C 13 29.274 0.400 . 1 . . . . 69 GLU CB . 16562 1 965 . 1 1 69 69 GLU CG C 13 35.908 0.400 . 1 . . . . 69 GLU CG . 16562 1 966 . 1 1 69 69 GLU N N 15 119.489 0.400 . 1 . . . . 69 GLU N . 16562 1 967 . 1 1 70 70 LEU H H 1 7.962 0.020 . 1 . . . . 70 LEU H . 16562 1 968 . 1 1 70 70 LEU HA H 1 4.020 0.020 . 1 . . . . 70 LEU HA . 16562 1 969 . 1 1 70 70 LEU HB2 H 1 1.368 0.020 . 2 . . . . 70 LEU HB2 . 16562 1 970 . 1 1 70 70 LEU HB3 H 1 1.715 0.020 . 2 . . . . 70 LEU HB3 . 16562 1 971 . 1 1 70 70 LEU HD11 H 1 0.815 0.020 . 2 . . . . 70 LEU HD11 . 16562 1 972 . 1 1 70 70 LEU HD12 H 1 0.815 0.020 . 2 . . . . 70 LEU HD12 . 16562 1 973 . 1 1 70 70 LEU HD13 H 1 0.815 0.020 . 2 . . . . 70 LEU HD13 . 16562 1 974 . 1 1 70 70 LEU HD21 H 1 0.807 0.020 . 2 . . . . 70 LEU HD21 . 16562 1 975 . 1 1 70 70 LEU HD22 H 1 0.807 0.020 . 2 . . . . 70 LEU HD22 . 16562 1 976 . 1 1 70 70 LEU HD23 H 1 0.807 0.020 . 2 . . . . 70 LEU HD23 . 16562 1 977 . 1 1 70 70 LEU HG H 1 1.698 0.020 . 1 . . . . 70 LEU HG . 16562 1 978 . 1 1 70 70 LEU C C 13 178.738 0.400 . 1 . . . . 70 LEU C . 16562 1 979 . 1 1 70 70 LEU CA C 13 57.486 0.400 . 1 . . . . 70 LEU CA . 16562 1 980 . 1 1 70 70 LEU CB C 13 41.695 0.400 . 1 . . . . 70 LEU CB . 16562 1 981 . 1 1 70 70 LEU CD1 C 13 25.210 0.400 . 1 . . . . 70 LEU CD1 . 16562 1 982 . 1 1 70 70 LEU CD2 C 13 24.200 0.400 . 1 . . . . 70 LEU CD2 . 16562 1 983 . 1 1 70 70 LEU CG C 13 27.000 0.400 . 1 . . . . 70 LEU CG . 16562 1 984 . 1 1 70 70 LEU N N 15 119.431 0.400 . 1 . . . . 70 LEU N . 16562 1 985 . 1 1 71 71 ALA H H 1 8.260 0.020 . 1 . . . . 71 ALA H . 16562 1 986 . 1 1 71 71 ALA HA H 1 3.845 0.020 . 1 . . . . 71 ALA HA . 16562 1 987 . 1 1 71 71 ALA HB1 H 1 1.410 0.020 . 1 . . . . 71 ALA HB1 . 16562 1 988 . 1 1 71 71 ALA HB2 H 1 1.410 0.020 . 1 . . . . 71 ALA HB2 . 16562 1 989 . 1 1 71 71 ALA HB3 H 1 1.410 0.020 . 1 . . . . 71 ALA HB3 . 16562 1 990 . 1 1 71 71 ALA C C 13 179.518 0.400 . 1 . . . . 71 ALA C . 16562 1 991 . 1 1 71 71 ALA CA C 13 55.139 0.400 . 1 . . . . 71 ALA CA . 16562 1 992 . 1 1 71 71 ALA CB C 13 18.487 0.400 . 1 . . . . 71 ALA CB . 16562 1 993 . 1 1 71 71 ALA N N 15 119.604 0.400 . 1 . . . . 71 ALA N . 16562 1 994 . 1 1 72 72 GLN H H 1 7.910 0.020 . 1 . . . . 72 GLN H . 16562 1 995 . 1 1 72 72 GLN HA H 1 4.154 0.020 . 1 . . . . 72 GLN HA . 16562 1 996 . 1 1 72 72 GLN HB2 H 1 2.163 0.020 . 2 . . . . 72 GLN HB2 . 16562 1 997 . 1 1 72 72 GLN HB3 H 1 2.235 0.020 . 2 . . . . 72 GLN HB3 . 16562 1 998 . 1 1 72 72 GLN HE21 H 1 6.852 0.020 . 2 . . . . 72 GLN HE21 . 16562 1 999 . 1 1 72 72 GLN HE22 H 1 7.439 0.020 . 2 . . . . 72 GLN HE22 . 16562 1 1000 . 1 1 72 72 GLN HG2 H 1 2.424 0.020 . 2 . . . . 72 GLN HG2 . 16562 1 1001 . 1 1 72 72 GLN HG3 H 1 2.537 0.020 . 2 . . . . 72 GLN HG3 . 16562 1 1002 . 1 1 72 72 GLN C C 13 178.900 0.400 . 1 . . . . 72 GLN C . 16562 1 1003 . 1 1 72 72 GLN CA C 13 58.194 0.400 . 1 . . . . 72 GLN CA . 16562 1 1004 . 1 1 72 72 GLN CB C 13 28.056 0.400 . 1 . . . . 72 GLN CB . 16562 1 1005 . 1 1 72 72 GLN CG C 13 33.994 0.400 . 1 . . . . 72 GLN CG . 16562 1 1006 . 1 1 72 72 GLN N N 15 115.960 0.400 . 1 . . . . 72 GLN N . 16562 1 1007 . 1 1 72 72 GLN NE2 N 15 111.529 0.400 . 1 . . . . 72 GLN NE2 . 16562 1 1008 . 1 1 73 73 LYS H H 1 7.841 0.020 . 1 . . . . 73 LYS H . 16562 1 1009 . 1 1 73 73 LYS HA H 1 4.171 0.020 . 1 . . . . 73 LYS HA . 16562 1 1010 . 1 1 73 73 LYS HB2 H 1 1.957 0.020 . 1 . . . . 73 LYS HB2 . 16562 1 1011 . 1 1 73 73 LYS HB3 H 1 1.956 0.020 . 1 . . . . 73 LYS HB3 . 16562 1 1012 . 1 1 73 73 LYS HD2 H 1 1.667 0.020 . 2 . . . . 73 LYS HD2 . 16562 1 1013 . 1 1 73 73 LYS HD3 H 1 1.665 0.020 . 2 . . . . 73 LYS HD3 . 16562 1 1014 . 1 1 73 73 LYS HE2 H 1 2.951 0.020 . 2 . . . . 73 LYS HE2 . 16562 1 1015 . 1 1 73 73 LYS HE3 H 1 2.946 0.020 . 2 . . . . 73 LYS HE3 . 16562 1 1016 . 1 1 73 73 LYS HG2 H 1 1.492 0.020 . 2 . . . . 73 LYS HG2 . 16562 1 1017 . 1 1 73 73 LYS HG3 H 1 1.598 0.020 . 2 . . . . 73 LYS HG3 . 16562 1 1018 . 1 1 73 73 LYS C C 13 177.730 0.400 . 1 . . . . 73 LYS C . 16562 1 1019 . 1 1 73 73 LYS CA C 13 57.867 0.400 . 1 . . . . 73 LYS CA . 16562 1 1020 . 1 1 73 73 LYS CB C 13 32.277 0.400 . 1 . . . . 73 LYS CB . 16562 1 1021 . 1 1 73 73 LYS CD C 13 28.900 0.400 . 1 . . . . 73 LYS CD . 16562 1 1022 . 1 1 73 73 LYS CE C 13 41.800 0.400 . 1 . . . . 73 LYS CE . 16562 1 1023 . 1 1 73 73 LYS CG C 13 25.000 0.400 . 1 . . . . 73 LYS CG . 16562 1 1024 . 1 1 73 73 LYS N N 15 119.027 0.400 . 1 . . . . 73 LYS N . 16562 1 1025 . 1 1 74 74 MET H H 1 7.746 0.020 . 1 . . . . 74 MET H . 16562 1 1026 . 1 1 74 74 MET HA H 1 4.403 0.020 . 1 . . . . 74 MET HA . 16562 1 1027 . 1 1 74 74 MET HB2 H 1 2.062 0.020 . 2 . . . . 74 MET HB2 . 16562 1 1028 . 1 1 74 74 MET HB3 H 1 1.962 0.020 . 2 . . . . 74 MET HB3 . 16562 1 1029 . 1 1 74 74 MET HE1 H 1 2.001 0.020 . 1 . . . . 74 MET HE1 . 16562 1 1030 . 1 1 74 74 MET HE2 H 1 2.001 0.020 . 1 . . . . 74 MET HE2 . 16562 1 1031 . 1 1 74 74 MET HE3 H 1 2.001 0.020 . 1 . . . . 74 MET HE3 . 16562 1 1032 . 1 1 74 74 MET HG2 H 1 2.527 0.020 . 2 . . . . 74 MET HG2 . 16562 1 1033 . 1 1 74 74 MET HG3 H 1 2.623 0.020 . 2 . . . . 74 MET HG3 . 16562 1 1034 . 1 1 74 74 MET C C 13 174.416 0.400 . 1 . . . . 74 MET C . 16562 1 1035 . 1 1 74 74 MET CA C 13 55.194 0.400 . 1 . . . . 74 MET CA . 16562 1 1036 . 1 1 74 74 MET CB C 13 33.366 0.400 . 1 . . . . 74 MET CB . 16562 1 1037 . 1 1 74 74 MET CE C 13 17.280 0.400 . 1 . . . . 74 MET CE . 16562 1 1038 . 1 1 74 74 MET CG C 13 33.037 0.400 . 1 . . . . 74 MET CG . 16562 1 1039 . 1 1 74 74 MET N N 15 115.786 0.400 . 1 . . . . 74 MET N . 16562 1 1040 . 1 1 75 75 GLU H H 1 8.076 0.020 . 1 . . . . 75 GLU H . 16562 1 1041 . 1 1 75 75 GLU HA H 1 4.001 0.020 . 1 . . . . 75 GLU HA . 16562 1 1042 . 1 1 75 75 GLU HB2 H 1 2.135 0.020 . 2 . . . . 75 GLU HB2 . 16562 1 1043 . 1 1 75 75 GLU HB3 H 1 2.189 0.020 . 2 . . . . 75 GLU HB3 . 16562 1 1044 . 1 1 75 75 GLU HG2 H 1 2.172 0.020 . 2 . . . . 75 GLU HG2 . 16562 1 1045 . 1 1 75 75 GLU HG3 H 1 2.174 0.020 . 2 . . . . 75 GLU HG3 . 16562 1 1046 . 1 1 75 75 GLU C C 13 175.130 0.400 . 1 . . . . 75 GLU C . 16562 1 1047 . 1 1 75 75 GLU CA C 13 56.722 0.400 . 1 . . . . 75 GLU CA . 16562 1 1048 . 1 1 75 75 GLU CB C 13 27.118 0.400 . 1 . . . . 75 GLU CB . 16562 1 1049 . 1 1 75 75 GLU CG C 13 36.706 0.400 . 1 . . . . 75 GLU CG . 16562 1 1050 . 1 1 75 75 GLU N N 15 116.249 0.400 . 1 . . . . 75 GLU N . 16562 1 1051 . 1 1 76 76 ILE H H 1 7.560 0.020 . 1 . . . . 76 ILE H . 16562 1 1052 . 1 1 76 76 ILE HA H 1 4.428 0.020 . 1 . . . . 76 ILE HA . 16562 1 1053 . 1 1 76 76 ILE HB H 1 1.644 0.020 . 1 . . . . 76 ILE HB . 16562 1 1054 . 1 1 76 76 ILE HD11 H 1 0.800 0.020 . 1 . . . . 76 ILE HD11 . 16562 1 1055 . 1 1 76 76 ILE HD12 H 1 0.800 0.020 . 1 . . . . 76 ILE HD12 . 16562 1 1056 . 1 1 76 76 ILE HD13 H 1 0.800 0.020 . 1 . . . . 76 ILE HD13 . 16562 1 1057 . 1 1 76 76 ILE HG12 H 1 1.089 0.020 . 2 . . . . 76 ILE HG12 . 16562 1 1058 . 1 1 76 76 ILE HG13 H 1 1.436 0.020 . 2 . . . . 76 ILE HG13 . 16562 1 1059 . 1 1 76 76 ILE HG21 H 1 0.883 0.020 . 1 . . . . 76 ILE HG21 . 16562 1 1060 . 1 1 76 76 ILE HG22 H 1 0.883 0.020 . 1 . . . . 76 ILE HG22 . 16562 1 1061 . 1 1 76 76 ILE HG23 H 1 0.883 0.020 . 1 . . . . 76 ILE HG23 . 16562 1 1062 . 1 1 76 76 ILE C C 13 174.529 0.400 . 1 . . . . 76 ILE C . 16562 1 1063 . 1 1 76 76 ILE CA C 13 58.475 0.400 . 1 . . . . 76 ILE CA . 16562 1 1064 . 1 1 76 76 ILE CB C 13 40.337 0.400 . 1 . . . . 76 ILE CB . 16562 1 1065 . 1 1 76 76 ILE CD1 C 13 13.653 0.400 . 1 . . . . 76 ILE CD1 . 16562 1 1066 . 1 1 76 76 ILE CG1 C 13 26.748 0.400 . 1 . . . . 76 ILE CG1 . 16562 1 1067 . 1 1 76 76 ILE CG2 C 13 17.574 0.400 . 1 . . . . 76 ILE CG2 . 16562 1 1068 . 1 1 76 76 ILE N N 15 115.960 0.400 . 1 . . . . 76 ILE N . 16562 1 1069 . 1 1 77 77 ASP H H 1 8.889 0.020 . 1 . . . . 77 ASP H . 16562 1 1070 . 1 1 77 77 ASP HA H 1 4.569 0.020 . 1 . . . . 77 ASP HA . 16562 1 1071 . 1 1 77 77 ASP HB2 H 1 3.208 0.020 . 2 . . . . 77 ASP HB2 . 16562 1 1072 . 1 1 77 77 ASP HB3 H 1 2.635 0.020 . 2 . . . . 77 ASP HB3 . 16562 1 1073 . 1 1 77 77 ASP C C 13 174.123 0.400 . 1 . . . . 77 ASP C . 16562 1 1074 . 1 1 77 77 ASP CA C 13 54.069 0.400 . 1 . . . . 77 ASP CA . 16562 1 1075 . 1 1 77 77 ASP CB C 13 40.233 0.400 . 1 . . . . 77 ASP CB . 16562 1 1076 . 1 1 77 77 ASP N N 15 126.142 0.400 . 1 . . . . 77 ASP N . 16562 1 1077 . 1 1 78 78 VAL H H 1 7.754 0.020 . 1 . . . . 78 VAL H . 16562 1 1078 . 1 1 78 78 VAL HA H 1 5.192 0.020 . 1 . . . . 78 VAL HA . 16562 1 1079 . 1 1 78 78 VAL HB H 1 1.780 0.020 . 1 . . . . 78 VAL HB . 16562 1 1080 . 1 1 78 78 VAL HG11 H 1 0.745 0.020 . 2 . . . . 78 VAL HG11 . 16562 1 1081 . 1 1 78 78 VAL HG12 H 1 0.745 0.020 . 2 . . . . 78 VAL HG12 . 16562 1 1082 . 1 1 78 78 VAL HG13 H 1 0.745 0.020 . 2 . . . . 78 VAL HG13 . 16562 1 1083 . 1 1 78 78 VAL HG21 H 1 0.721 0.020 . 2 . . . . 78 VAL HG21 . 16562 1 1084 . 1 1 78 78 VAL HG22 H 1 0.721 0.020 . 2 . . . . 78 VAL HG22 . 16562 1 1085 . 1 1 78 78 VAL HG23 H 1 0.721 0.020 . 2 . . . . 78 VAL HG23 . 16562 1 1086 . 1 1 78 78 VAL C C 13 174.968 0.400 . 1 . . . . 78 VAL C . 16562 1 1087 . 1 1 78 78 VAL CA C 13 58.804 0.400 . 1 . . . . 78 VAL CA . 16562 1 1088 . 1 1 78 78 VAL CB C 13 35.293 0.400 . 1 . . . . 78 VAL CB . 16562 1 1089 . 1 1 78 78 VAL CG1 C 13 21.237 0.400 . 1 . . . . 78 VAL CG1 . 16562 1 1090 . 1 1 78 78 VAL CG2 C 13 21.097 0.400 . 1 . . . . 78 VAL CG2 . 16562 1 1091 . 1 1 78 78 VAL N N 15 122.844 0.400 . 1 . . . . 78 VAL N . 16562 1 1092 . 1 1 79 79 ARG H H 1 8.499 0.020 . 1 . . . . 79 ARG H . 16562 1 1093 . 1 1 79 79 ARG HA H 1 4.712 0.020 . 1 . . . . 79 ARG HA . 16562 1 1094 . 1 1 79 79 ARG HB2 H 1 1.600 0.020 . 2 . . . . 79 ARG HB2 . 16562 1 1095 . 1 1 79 79 ARG HB3 H 1 1.654 0.020 . 2 . . . . 79 ARG HB3 . 16562 1 1096 . 1 1 79 79 ARG HD2 H 1 3.071 0.020 . 2 . . . . 79 ARG HD2 . 16562 1 1097 . 1 1 79 79 ARG HD3 H 1 3.073 0.020 . 2 . . . . 79 ARG HD3 . 16562 1 1098 . 1 1 79 79 ARG HG2 H 1 1.534 0.020 . 1 . . . . 79 ARG HG2 . 16562 1 1099 . 1 1 79 79 ARG HG3 H 1 1.535 0.020 . 1 . . . . 79 ARG HG3 . 16562 1 1100 . 1 1 79 79 ARG C C 13 174.221 0.400 . 1 . . . . 79 ARG C . 16562 1 1101 . 1 1 79 79 ARG CA C 13 54.117 0.400 . 1 . . . . 79 ARG CA . 16562 1 1102 . 1 1 79 79 ARG CB C 13 31.196 0.400 . 1 . . . . 79 ARG CB . 16562 1 1103 . 1 1 79 79 ARG CD C 13 43.086 0.400 . 1 . . . . 79 ARG CD . 16562 1 1104 . 1 1 79 79 ARG CG C 13 26.759 0.400 . 1 . . . . 79 ARG CG . 16562 1 1105 . 1 1 79 79 ARG N N 15 125.637 0.400 . 1 . . . . 79 ARG N . 16562 1 1106 . 1 1 80 80 THR H H 1 8.416 0.020 . 1 . . . . 80 THR H . 16562 1 1107 . 1 1 80 80 THR HA H 1 5.332 0.020 . 1 . . . . 80 THR HA . 16562 1 1108 . 1 1 80 80 THR HB H 1 3.679 0.020 . 1 . . . . 80 THR HB . 16562 1 1109 . 1 1 80 80 THR HG21 H 1 0.981 0.020 . 1 . . . . 80 THR HG21 . 16562 1 1110 . 1 1 80 80 THR HG22 H 1 0.981 0.020 . 1 . . . . 80 THR HG22 . 16562 1 1111 . 1 1 80 80 THR HG23 H 1 0.981 0.020 . 1 . . . . 80 THR HG23 . 16562 1 1112 . 1 1 80 80 THR C C 13 174.497 0.400 . 1 . . . . 80 THR C . 16562 1 1113 . 1 1 80 80 THR CA C 13 59.694 0.400 . 1 . . . . 80 THR CA . 16562 1 1114 . 1 1 80 80 THR CB C 13 69.772 0.400 . 1 . . . . 80 THR CB . 16562 1 1115 . 1 1 80 80 THR CG2 C 13 22.134 0.400 . 1 . . . . 80 THR CG2 . 16562 1 1116 . 1 1 80 80 THR N N 15 118.084 0.400 . 1 . . . . 80 THR N . 16562 1 1117 . 1 1 81 81 ARG H H 1 8.758 0.020 . 1 . . . . 81 ARG H . 16562 1 1118 . 1 1 81 81 ARG HA H 1 4.362 0.020 . 1 . . . . 81 ARG HA . 16562 1 1119 . 1 1 81 81 ARG HB2 H 1 0.933 0.020 . 2 . . . . 81 ARG HB2 . 16562 1 1120 . 1 1 81 81 ARG HB3 H 1 1.058 0.020 . 2 . . . . 81 ARG HB3 . 16562 1 1121 . 1 1 81 81 ARG HD2 H 1 1.725 0.020 . 2 . . . . 81 ARG HD2 . 16562 1 1122 . 1 1 81 81 ARG HD3 H 1 2.308 0.020 . 2 . . . . 81 ARG HD3 . 16562 1 1123 . 1 1 81 81 ARG HE H 1 5.835 0.020 . 1 . . . . 81 ARG HE . 16562 1 1124 . 1 1 81 81 ARG HG2 H 1 0.428 0.020 . 2 . . . . 81 ARG HG2 . 16562 1 1125 . 1 1 81 81 ARG HG3 H 1 0.739 0.020 . 2 . . . . 81 ARG HG3 . 16562 1 1126 . 1 1 81 81 ARG C C 13 173.733 0.400 . 1 . . . . 81 ARG C . 16562 1 1127 . 1 1 81 81 ARG CA C 13 53.273 0.400 . 1 . . . . 81 ARG CA . 16562 1 1128 . 1 1 81 81 ARG CB C 13 33.915 0.400 . 1 . . . . 81 ARG CB . 16562 1 1129 . 1 1 81 81 ARG CD C 13 42.208 0.400 . 1 . . . . 81 ARG CD . 16562 1 1130 . 1 1 81 81 ARG CG C 13 25.882 0.400 . 1 . . . . 81 ARG CG . 16562 1 1131 . 1 1 81 81 ARG N N 15 122.844 0.400 . 1 . . . . 81 ARG N . 16562 1 1132 . 1 1 81 81 ARG NE N 15 83.710 0.400 . 1 . . . . 81 ARG NE . 16562 1 1133 . 1 1 82 82 LYS H H 1 8.721 0.020 . 1 . . . . 82 LYS H . 16562 1 1134 . 1 1 82 82 LYS HA H 1 4.701 0.020 . 1 . . . . 82 LYS HA . 16562 1 1135 . 1 1 82 82 LYS HB2 H 1 1.342 0.020 . 2 . . . . 82 LYS HB2 . 16562 1 1136 . 1 1 82 82 LYS HB3 H 1 1.764 0.020 . 2 . . . . 82 LYS HB3 . 16562 1 1137 . 1 1 82 82 LYS HD2 H 1 1.459 0.020 . 2 . . . . 82 LYS HD2 . 16562 1 1138 . 1 1 82 82 LYS HD3 H 1 1.566 0.020 . 2 . . . . 82 LYS HD3 . 16562 1 1139 . 1 1 82 82 LYS HE2 H 1 2.738 0.020 . 2 . . . . 82 LYS HE2 . 16562 1 1140 . 1 1 82 82 LYS HE3 H 1 2.855 0.020 . 2 . . . . 82 LYS HE3 . 16562 1 1141 . 1 1 82 82 LYS HG2 H 1 1.063 0.020 . 2 . . . . 82 LYS HG2 . 16562 1 1142 . 1 1 82 82 LYS HG3 H 1 1.137 0.020 . 2 . . . . 82 LYS HG3 . 16562 1 1143 . 1 1 82 82 LYS C C 13 175.667 0.400 . 1 . . . . 82 LYS C . 16562 1 1144 . 1 1 82 82 LYS CA C 13 54.960 0.400 . 1 . . . . 82 LYS CA . 16562 1 1145 . 1 1 82 82 LYS CB C 13 32.603 0.400 . 1 . . . . 82 LYS CB . 16562 1 1146 . 1 1 82 82 LYS CD C 13 28.900 0.400 . 1 . . . . 82 LYS CD . 16562 1 1147 . 1 1 82 82 LYS CE C 13 41.510 0.400 . 1 . . . . 82 LYS CE . 16562 1 1148 . 1 1 82 82 LYS CG C 13 25.000 0.400 . 1 . . . . 82 LYS CG . 16562 1 1149 . 1 1 82 82 LYS N N 15 124.668 0.400 . 1 . . . . 82 LYS N . 16562 1 1150 . 1 1 83 83 VAL H H 1 9.112 0.020 . 1 . . . . 83 VAL H . 16562 1 1151 . 1 1 83 83 VAL HA H 1 4.796 0.020 . 1 . . . . 83 VAL HA . 16562 1 1152 . 1 1 83 83 VAL HB H 1 2.112 0.020 . 1 . . . . 83 VAL HB . 16562 1 1153 . 1 1 83 83 VAL HG11 H 1 1.011 0.020 . 2 . . . . 83 VAL HG11 . 16562 1 1154 . 1 1 83 83 VAL HG12 H 1 1.011 0.020 . 2 . . . . 83 VAL HG12 . 16562 1 1155 . 1 1 83 83 VAL HG13 H 1 1.011 0.020 . 2 . . . . 83 VAL HG13 . 16562 1 1156 . 1 1 83 83 VAL HG21 H 1 0.964 0.020 . 2 . . . . 83 VAL HG21 . 16562 1 1157 . 1 1 83 83 VAL HG22 H 1 0.964 0.020 . 2 . . . . 83 VAL HG22 . 16562 1 1158 . 1 1 83 83 VAL HG23 H 1 0.964 0.020 . 2 . . . . 83 VAL HG23 . 16562 1 1159 . 1 1 83 83 VAL C C 13 174.594 0.400 . 1 . . . . 83 VAL C . 16562 1 1160 . 1 1 83 83 VAL CA C 13 59.413 0.400 . 1 . . . . 83 VAL CA . 16562 1 1161 . 1 1 83 83 VAL CB C 13 35.298 0.400 . 1 . . . . 83 VAL CB . 16562 1 1162 . 1 1 83 83 VAL CG1 C 13 23.611 0.400 . 1 . . . . 83 VAL CG1 . 16562 1 1163 . 1 1 83 83 VAL CG2 C 13 21.211 0.400 . 1 . . . . 83 VAL CG2 . 16562 1 1164 . 1 1 83 83 VAL N N 15 122.381 0.400 . 1 . . . . 83 VAL N . 16562 1 1165 . 1 1 84 84 THR H H 1 9.200 0.020 . 1 . . . . 84 THR H . 16562 1 1166 . 1 1 84 84 THR HA H 1 4.579 0.020 . 1 . . . . 84 THR HA . 16562 1 1167 . 1 1 84 84 THR HB H 1 4.440 0.020 . 1 . . . . 84 THR HB . 16562 1 1168 . 1 1 84 84 THR HG21 H 1 1.242 0.020 . 1 . . . . 84 THR HG21 . 16562 1 1169 . 1 1 84 84 THR HG22 H 1 1.242 0.020 . 1 . . . . 84 THR HG22 . 16562 1 1170 . 1 1 84 84 THR HG23 H 1 1.242 0.020 . 1 . . . . 84 THR HG23 . 16562 1 1171 . 1 1 84 84 THR C C 13 173.993 0.400 . 1 . . . . 84 THR C . 16562 1 1172 . 1 1 84 84 THR CA C 13 60.960 0.400 . 1 . . . . 84 THR CA . 16562 1 1173 . 1 1 84 84 THR CB C 13 70.100 0.400 . 1 . . . . 84 THR CB . 16562 1 1174 . 1 1 84 84 THR CG2 C 13 21.000 0.400 . 1 . . . . 84 THR CG2 . 16562 1 1175 . 1 1 84 84 THR N N 15 113.183 0.400 . 1 . . . . 84 THR N . 16562 1 1176 . 1 1 85 85 SER H H 1 7.688 0.020 . 1 . . . . 85 SER H . 16562 1 1177 . 1 1 85 85 SER HA H 1 5.136 0.020 . 1 . . . . 85 SER HA . 16562 1 1178 . 1 1 85 85 SER HB2 H 1 3.902 0.020 . 2 . . . . 85 SER HB2 . 16562 1 1179 . 1 1 85 85 SER HB3 H 1 4.190 0.020 . 2 . . . . 85 SER HB3 . 16562 1 1180 . 1 1 85 85 SER CA C 13 55.205 0.400 . 1 . . . . 85 SER CA . 16562 1 1181 . 1 1 85 85 SER CB C 13 64.376 0.400 . 1 . . . . 85 SER CB . 16562 1 1182 . 1 1 85 85 SER N N 15 115.555 0.400 . 1 . . . . 85 SER N . 16562 1 1183 . 1 1 86 86 PRO HA H 1 4.090 0.020 . 1 . . . . 86 PRO HA . 16562 1 1184 . 1 1 86 86 PRO HB2 H 1 2.119 0.020 . 2 . . . . 86 PRO HB2 . 16562 1 1185 . 1 1 86 86 PRO HB3 H 1 2.104 0.020 . 2 . . . . 86 PRO HB3 . 16562 1 1186 . 1 1 86 86 PRO HD2 H 1 3.977 0.020 . 1 . . . . 86 PRO HD2 . 16562 1 1187 . 1 1 86 86 PRO HD3 H 1 3.976 0.020 . 1 . . . . 86 PRO HD3 . 16562 1 1188 . 1 1 86 86 PRO HG2 H 1 1.692 0.020 . 2 . . . . 86 PRO HG2 . 16562 1 1189 . 1 1 86 86 PRO HG3 H 1 2.195 0.020 . 2 . . . . 86 PRO HG3 . 16562 1 1190 . 1 1 86 86 PRO C C 13 177.227 0.400 . 1 . . . . 86 PRO C . 16562 1 1191 . 1 1 86 86 PRO CA C 13 65.038 0.400 . 1 . . . . 86 PRO CA . 16562 1 1192 . 1 1 86 86 PRO CB C 13 31.711 0.400 . 1 . . . . 86 PRO CB . 16562 1 1193 . 1 1 86 86 PRO CD C 13 50.674 0.400 . 1 . . . . 86 PRO CD . 16562 1 1194 . 1 1 86 86 PRO CG C 13 27.300 0.400 . 1 . . . . 86 PRO CG . 16562 1 1195 . 1 1 87 87 ASP H H 1 8.131 0.020 . 1 . . . . 87 ASP H . 16562 1 1196 . 1 1 87 87 ASP HA H 1 4.223 0.020 . 1 . . . . 87 ASP HA . 16562 1 1197 . 1 1 87 87 ASP HB2 H 1 2.497 0.020 . 1 . . . . 87 ASP HB2 . 16562 1 1198 . 1 1 87 87 ASP HB3 H 1 2.497 0.020 . 1 . . . . 87 ASP HB3 . 16562 1 1199 . 1 1 87 87 ASP C C 13 178.721 0.400 . 1 . . . . 87 ASP C . 16562 1 1200 . 1 1 87 87 ASP CA C 13 57.311 0.400 . 1 . . . . 87 ASP CA . 16562 1 1201 . 1 1 87 87 ASP CB C 13 40.102 0.400 . 1 . . . . 87 ASP CB . 16562 1 1202 . 1 1 87 87 ASP N N 15 115.381 0.400 . 1 . . . . 87 ASP N . 16562 1 1203 . 1 1 88 88 GLU H H 1 7.571 0.020 . 1 . . . . 88 GLU H . 16562 1 1204 . 1 1 88 88 GLU HA H 1 3.659 0.020 . 1 . . . . 88 GLU HA . 16562 1 1205 . 1 1 88 88 GLU HB2 H 1 1.809 0.020 . 2 . . . . 88 GLU HB2 . 16562 1 1206 . 1 1 88 88 GLU HB3 H 1 2.077 0.020 . 2 . . . . 88 GLU HB3 . 16562 1 1207 . 1 1 88 88 GLU HG2 H 1 2.141 0.020 . 2 . . . . 88 GLU HG2 . 16562 1 1208 . 1 1 88 88 GLU HG3 H 1 1.943 0.020 . 2 . . . . 88 GLU HG3 . 16562 1 1209 . 1 1 88 88 GLU C C 13 177.097 0.400 . 1 . . . . 88 GLU C . 16562 1 1210 . 1 1 88 88 GLU CA C 13 58.729 0.400 . 1 . . . . 88 GLU CA . 16562 1 1211 . 1 1 88 88 GLU CB C 13 30.052 0.400 . 1 . . . . 88 GLU CB . 16562 1 1212 . 1 1 88 88 GLU CG C 13 36.785 0.400 . 1 . . . . 88 GLU CG . 16562 1 1213 . 1 1 88 88 GLU N N 15 120.009 0.400 . 1 . . . . 88 GLU N . 16562 1 1214 . 1 1 89 89 ALA H H 1 7.423 0.020 . 1 . . . . 89 ALA H . 16562 1 1215 . 1 1 89 89 ALA HA H 1 3.900 0.020 . 1 . . . . 89 ALA HA . 16562 1 1216 . 1 1 89 89 ALA HB1 H 1 1.338 0.020 . 1 . . . . 89 ALA HB1 . 16562 1 1217 . 1 1 89 89 ALA HB2 H 1 1.338 0.020 . 1 . . . . 89 ALA HB2 . 16562 1 1218 . 1 1 89 89 ALA HB3 H 1 1.338 0.020 . 1 . . . . 89 ALA HB3 . 16562 1 1219 . 1 1 89 89 ALA C C 13 178.267 0.400 . 1 . . . . 89 ALA C . 16562 1 1220 . 1 1 89 89 ALA CA C 13 55.607 0.400 . 1 . . . . 89 ALA CA . 16562 1 1221 . 1 1 89 89 ALA CB C 13 17.348 0.400 . 1 . . . . 89 ALA CB . 16562 1 1222 . 1 1 89 89 ALA N N 15 118.873 0.400 . 1 . . . . 89 ALA N . 16562 1 1223 . 1 1 90 90 LYS H H 1 8.046 0.020 . 1 . . . . 90 LYS H . 16562 1 1224 . 1 1 90 90 LYS HA H 1 3.669 0.020 . 1 . . . . 90 LYS HA . 16562 1 1225 . 1 1 90 90 LYS HB2 H 1 1.812 0.020 . 2 . . . . 90 LYS HB2 . 16562 1 1226 . 1 1 90 90 LYS HB3 H 1 1.834 0.020 . 2 . . . . 90 LYS HB3 . 16562 1 1227 . 1 1 90 90 LYS HD2 H 1 1.739 0.020 . 2 . . . . 90 LYS HD2 . 16562 1 1228 . 1 1 90 90 LYS HD3 H 1 1.696 0.020 . 2 . . . . 90 LYS HD3 . 16562 1 1229 . 1 1 90 90 LYS HE2 H 1 2.811 0.020 . 2 . . . . 90 LYS HE2 . 16562 1 1230 . 1 1 90 90 LYS HE3 H 1 2.936 0.020 . 2 . . . . 90 LYS HE3 . 16562 1 1231 . 1 1 90 90 LYS HG2 H 1 1.286 0.020 . 2 . . . . 90 LYS HG2 . 16562 1 1232 . 1 1 90 90 LYS HG3 H 1 1.584 0.020 . 2 . . . . 90 LYS HG3 . 16562 1 1233 . 1 1 90 90 LYS C C 13 177.649 0.400 . 1 . . . . 90 LYS C . 16562 1 1234 . 1 1 90 90 LYS CA C 13 60.351 0.400 . 1 . . . . 90 LYS CA . 16562 1 1235 . 1 1 90 90 LYS CB C 13 32.087 0.400 . 1 . . . . 90 LYS CB . 16562 1 1236 . 1 1 90 90 LYS CD C 13 29.437 0.400 . 1 . . . . 90 LYS CD . 16562 1 1237 . 1 1 90 90 LYS CE C 13 41.800 0.400 . 1 . . . . 90 LYS CE . 16562 1 1238 . 1 1 90 90 LYS CG C 13 25.289 0.400 . 1 . . . . 90 LYS CG . 16562 1 1239 . 1 1 90 90 LYS N N 15 114.834 0.400 . 1 . . . . 90 LYS N . 16562 1 1240 . 1 1 91 91 ARG H H 1 7.468 0.020 . 1 . . . . 91 ARG H . 16562 1 1241 . 1 1 91 91 ARG HA H 1 3.887 0.020 . 1 . . . . 91 ARG HA . 16562 1 1242 . 1 1 91 91 ARG HB2 H 1 1.486 0.020 . 2 . . . . 91 ARG HB2 . 16562 1 1243 . 1 1 91 91 ARG HB3 H 1 1.682 0.020 . 2 . . . . 91 ARG HB3 . 16562 1 1244 . 1 1 91 91 ARG HD2 H 1 2.486 0.020 . 2 . . . . 91 ARG HD2 . 16562 1 1245 . 1 1 91 91 ARG HD3 H 1 2.662 0.020 . 2 . . . . 91 ARG HD3 . 16562 1 1246 . 1 1 91 91 ARG HE H 1 6.997 0.020 . 1 . . . . 91 ARG HE . 16562 1 1247 . 1 1 91 91 ARG HG2 H 1 1.078 0.020 . 2 . . . . 91 ARG HG2 . 16562 1 1248 . 1 1 91 91 ARG HG3 H 1 1.452 0.020 . 2 . . . . 91 ARG HG3 . 16562 1 1249 . 1 1 91 91 ARG C C 13 178.998 0.400 . 1 . . . . 91 ARG C . 16562 1 1250 . 1 1 91 91 ARG CA C 13 59.164 0.400 . 1 . . . . 91 ARG CA . 16562 1 1251 . 1 1 91 91 ARG CB C 13 29.274 0.400 . 1 . . . . 91 ARG CB . 16562 1 1252 . 1 1 91 91 ARG CD C 13 43.245 0.400 . 1 . . . . 91 ARG CD . 16562 1 1253 . 1 1 91 91 ARG CG C 13 26.796 0.400 . 1 . . . . 91 ARG CG . 16562 1 1254 . 1 1 91 91 ARG N N 15 119.029 0.400 . 1 . . . . 91 ARG N . 16562 1 1255 . 1 1 91 91 ARG NE N 15 84.684 0.400 . 1 . . . . 91 ARG NE . 16562 1 1256 . 1 1 92 92 TRP H H 1 8.136 0.020 . 1 . . . . 92 TRP H . 16562 1 1257 . 1 1 92 92 TRP HA H 1 4.818 0.020 . 1 . . . . 92 TRP HA . 16562 1 1258 . 1 1 92 92 TRP HB2 H 1 3.100 0.020 . 2 . . . . 92 TRP HB2 . 16562 1 1259 . 1 1 92 92 TRP HB3 H 1 3.195 0.020 . 2 . . . . 92 TRP HB3 . 16562 1 1260 . 1 1 92 92 TRP HD1 H 1 6.870 0.020 . 1 . . . . 92 TRP HD1 . 16562 1 1261 . 1 1 92 92 TRP HE1 H 1 10.293 0.020 . 1 . . . . 92 TRP HE1 . 16562 1 1262 . 1 1 92 92 TRP HE3 H 1 7.429 0.020 . 1 . . . . 92 TRP HE3 . 16562 1 1263 . 1 1 92 92 TRP HH2 H 1 7.239 0.020 . 1 . . . . 92 TRP HH2 . 16562 1 1264 . 1 1 92 92 TRP HZ2 H 1 7.489 0.020 . 1 . . . . 92 TRP HZ2 . 16562 1 1265 . 1 1 92 92 TRP HZ3 H 1 7.065 0.020 . 1 . . . . 92 TRP HZ3 . 16562 1 1266 . 1 1 92 92 TRP C C 13 179.566 0.400 . 1 . . . . 92 TRP C . 16562 1 1267 . 1 1 92 92 TRP CA C 13 58.663 0.400 . 1 . . . . 92 TRP CA . 16562 1 1268 . 1 1 92 92 TRP CB C 13 29.790 0.400 . 1 . . . . 92 TRP CB . 16562 1 1269 . 1 1 92 92 TRP CD1 C 13 127.008 0.400 . 1 . . . . 92 TRP CD1 . 16562 1 1270 . 1 1 92 92 TRP CE3 C 13 120.385 0.400 . 1 . . . . 92 TRP CE3 . 16562 1 1271 . 1 1 92 92 TRP CH2 C 13 124.546 0.400 . 1 . . . . 92 TRP CH2 . 16562 1 1272 . 1 1 92 92 TRP CZ2 C 13 114.465 0.400 . 1 . . . . 92 TRP CZ2 . 16562 1 1273 . 1 1 92 92 TRP CZ3 C 13 122.231 0.400 . 1 . . . . 92 TRP CZ3 . 16562 1 1274 . 1 1 92 92 TRP N N 15 118.100 0.400 . 1 . . . . 92 TRP N . 16562 1 1275 . 1 1 92 92 TRP NE1 N 15 128.245 0.400 . 1 . . . . 92 TRP NE1 . 16562 1 1276 . 1 1 93 93 ILE H H 1 8.363 0.020 . 1 . . . . 93 ILE H . 16562 1 1277 . 1 1 93 93 ILE HA H 1 3.544 0.020 . 1 . . . . 93 ILE HA . 16562 1 1278 . 1 1 93 93 ILE HB H 1 1.803 0.020 . 1 . . . . 93 ILE HB . 16562 1 1279 . 1 1 93 93 ILE HD11 H 1 0.769 0.020 . 1 . . . . 93 ILE HD11 . 16562 1 1280 . 1 1 93 93 ILE HD12 H 1 0.769 0.020 . 1 . . . . 93 ILE HD12 . 16562 1 1281 . 1 1 93 93 ILE HD13 H 1 0.769 0.020 . 1 . . . . 93 ILE HD13 . 16562 1 1282 . 1 1 93 93 ILE HG12 H 1 2.037 0.020 . 2 . . . . 93 ILE HG12 . 16562 1 1283 . 1 1 93 93 ILE HG13 H 1 0.743 0.020 . 2 . . . . 93 ILE HG13 . 16562 1 1284 . 1 1 93 93 ILE HG21 H 1 0.750 0.020 . 1 . . . . 93 ILE HG21 . 16562 1 1285 . 1 1 93 93 ILE HG22 H 1 0.750 0.020 . 1 . . . . 93 ILE HG22 . 16562 1 1286 . 1 1 93 93 ILE HG23 H 1 0.750 0.020 . 1 . . . . 93 ILE HG23 . 16562 1 1287 . 1 1 93 93 ILE C C 13 176.820 0.400 . 1 . . . . 93 ILE C . 16562 1 1288 . 1 1 93 93 ILE CA C 13 66.225 0.400 . 1 . . . . 93 ILE CA . 16562 1 1289 . 1 1 93 93 ILE CB C 13 37.571 0.400 . 1 . . . . 93 ILE CB . 16562 1 1290 . 1 1 93 93 ILE CD1 C 13 14.136 0.400 . 1 . . . . 93 ILE CD1 . 16562 1 1291 . 1 1 93 93 ILE CG1 C 13 30.815 0.400 . 1 . . . . 93 ILE CG1 . 16562 1 1292 . 1 1 93 93 ILE CG2 C 13 17.000 0.400 . 1 . . . . 93 ILE CG2 . 16562 1 1293 . 1 1 93 93 ILE N N 15 120.588 0.400 . 1 . . . . 93 ILE N . 16562 1 1294 . 1 1 94 94 LYS H H 1 8.264 0.020 . 1 . . . . 94 LYS H . 16562 1 1295 . 1 1 94 94 LYS HA H 1 3.865 0.020 . 1 . . . . 94 LYS HA . 16562 1 1296 . 1 1 94 94 LYS HB2 H 1 1.922 0.020 . 2 . . . . 94 LYS HB2 . 16562 1 1297 . 1 1 94 94 LYS HB3 H 1 2.022 0.020 . 2 . . . . 94 LYS HB3 . 16562 1 1298 . 1 1 94 94 LYS HD2 H 1 1.624 0.020 . 2 . . . . 94 LYS HD2 . 16562 1 1299 . 1 1 94 94 LYS HD3 H 1 1.598 0.020 . 2 . . . . 94 LYS HD3 . 16562 1 1300 . 1 1 94 94 LYS HE2 H 1 2.920 0.020 . 2 . . . . 94 LYS HE2 . 16562 1 1301 . 1 1 94 94 LYS HE3 H 1 2.911 0.020 . 2 . . . . 94 LYS HE3 . 16562 1 1302 . 1 1 94 94 LYS HG2 H 1 1.338 0.020 . 2 . . . . 94 LYS HG2 . 16562 1 1303 . 1 1 94 94 LYS HG3 H 1 1.380 0.020 . 2 . . . . 94 LYS HG3 . 16562 1 1304 . 1 1 94 94 LYS C C 13 179.258 0.400 . 1 . . . . 94 LYS C . 16562 1 1305 . 1 1 94 94 LYS CA C 13 59.889 0.400 . 1 . . . . 94 LYS CA . 16562 1 1306 . 1 1 94 94 LYS CB C 13 32.225 0.400 . 1 . . . . 94 LYS CB . 16562 1 1307 . 1 1 94 94 LYS CD C 13 29.357 0.400 . 1 . . . . 94 LYS CD . 16562 1 1308 . 1 1 94 94 LYS CE C 13 41.800 0.400 . 1 . . . . 94 LYS CE . 16562 1 1309 . 1 1 94 94 LYS CG C 13 24.572 0.400 . 1 . . . . 94 LYS CG . 16562 1 1310 . 1 1 94 94 LYS N N 15 121.687 0.400 . 1 . . . . 94 LYS N . 16562 1 1311 . 1 1 95 95 GLU H H 1 8.360 0.020 . 1 . . . . 95 GLU H . 16562 1 1312 . 1 1 95 95 GLU HA H 1 4.023 0.020 . 1 . . . . 95 GLU HA . 16562 1 1313 . 1 1 95 95 GLU HB2 H 1 2.204 0.020 . 2 . . . . 95 GLU HB2 . 16562 1 1314 . 1 1 95 95 GLU HB3 H 1 2.158 0.020 . 2 . . . . 95 GLU HB3 . 16562 1 1315 . 1 1 95 95 GLU HG2 H 1 2.271 0.020 . 2 . . . . 95 GLU HG2 . 16562 1 1316 . 1 1 95 95 GLU HG3 H 1 2.525 0.020 . 2 . . . . 95 GLU HG3 . 16562 1 1317 . 1 1 95 95 GLU C C 13 178.884 0.400 . 1 . . . . 95 GLU C . 16562 1 1318 . 1 1 95 95 GLU CA C 13 59.366 0.400 . 1 . . . . 95 GLU CA . 16562 1 1319 . 1 1 95 95 GLU CB C 13 29.508 0.400 . 1 . . . . 95 GLU CB . 16562 1 1320 . 1 1 95 95 GLU CG C 13 36.466 0.400 . 1 . . . . 95 GLU CG . 16562 1 1321 . 1 1 95 95 GLU N N 15 118.505 0.400 . 1 . . . . 95 GLU N . 16562 1 1322 . 1 1 96 96 PHE H H 1 8.212 0.020 . 1 . . . . 96 PHE H . 16562 1 1323 . 1 1 96 96 PHE HA H 1 4.512 0.020 . 1 . . . . 96 PHE HA . 16562 1 1324 . 1 1 96 96 PHE HB2 H 1 3.098 0.020 . 2 . . . . 96 PHE HB2 . 16562 1 1325 . 1 1 96 96 PHE HB3 H 1 3.469 0.020 . 2 . . . . 96 PHE HB3 . 16562 1 1326 . 1 1 96 96 PHE HD1 H 1 7.032 0.020 . 1 . . . . 96 PHE HD1 . 16562 1 1327 . 1 1 96 96 PHE HD2 H 1 7.032 0.020 . 1 . . . . 96 PHE HD2 . 16562 1 1328 . 1 1 96 96 PHE HE1 H 1 6.958 0.020 . 1 . . . . 96 PHE HE1 . 16562 1 1329 . 1 1 96 96 PHE HE2 H 1 6.958 0.020 . 1 . . . . 96 PHE HE2 . 16562 1 1330 . 1 1 96 96 PHE HZ H 1 7.064 0.020 . 1 . . . . 96 PHE HZ . 16562 1 1331 . 1 1 96 96 PHE C C 13 176.820 0.400 . 1 . . . . 96 PHE C . 16562 1 1332 . 1 1 96 96 PHE CA C 13 59.608 0.400 . 1 . . . . 96 PHE CA . 16562 1 1333 . 1 1 96 96 PHE CB C 13 40.431 0.400 . 1 . . . . 96 PHE CB . 16562 1 1334 . 1 1 96 96 PHE CD1 C 13 131.423 0.400 . 1 . . . . 96 PHE CD1 . 16562 1 1335 . 1 1 96 96 PHE CD2 C 13 131.423 0.400 . 1 . . . . 96 PHE CD2 . 16562 1 1336 . 1 1 96 96 PHE CE1 C 13 131.337 0.400 . 1 . . . . 96 PHE CE1 . 16562 1 1337 . 1 1 96 96 PHE CE2 C 13 131.395 0.400 . 1 . . . . 96 PHE CE2 . 16562 1 1338 . 1 1 96 96 PHE CZ C 13 130.946 0.400 . 1 . . . . 96 PHE CZ . 16562 1 1339 . 1 1 96 96 PHE N N 15 120.369 0.400 . 1 . . . . 96 PHE N . 16562 1 1340 . 1 1 97 97 SER H H 1 8.216 0.020 . 1 . . . . 97 SER H . 16562 1 1341 . 1 1 97 97 SER HA H 1 3.816 0.020 . 1 . . . . 97 SER HA . 16562 1 1342 . 1 1 97 97 SER HB2 H 1 3.949 0.020 . 2 . . . . 97 SER HB2 . 16562 1 1343 . 1 1 97 97 SER HB3 H 1 3.984 0.020 . 2 . . . . 97 SER HB3 . 16562 1 1344 . 1 1 97 97 SER C C 13 175.618 0.400 . 1 . . . . 97 SER C . 16562 1 1345 . 1 1 97 97 SER CA C 13 60.492 0.400 . 1 . . . . 97 SER CA . 16562 1 1346 . 1 1 97 97 SER CB C 13 63.022 0.400 . 1 . . . . 97 SER CB . 16562 1 1347 . 1 1 97 97 SER N N 15 111.969 0.400 . 1 . . . . 97 SER N . 16562 1 1348 . 1 1 98 98 GLU H H 1 7.655 0.020 . 1 . . . . 98 GLU H . 16562 1 1349 . 1 1 98 98 GLU HA H 1 4.187 0.020 . 1 . . . . 98 GLU HA . 16562 1 1350 . 1 1 98 98 GLU HB2 H 1 2.044 0.020 . 1 . . . . 98 GLU HB2 . 16562 1 1351 . 1 1 98 98 GLU HB3 H 1 2.043 0.020 . 1 . . . . 98 GLU HB3 . 16562 1 1352 . 1 1 98 98 GLU HG2 H 1 2.215 0.020 . 2 . . . . 98 GLU HG2 . 16562 1 1353 . 1 1 98 98 GLU HG3 H 1 2.473 0.020 . 2 . . . . 98 GLU HG3 . 16562 1 1354 . 1 1 98 98 GLU C C 13 177.698 0.400 . 1 . . . . 98 GLU C . 16562 1 1355 . 1 1 98 98 GLU CA C 13 57.069 0.400 . 1 . . . . 98 GLU CA . 16562 1 1356 . 1 1 98 98 GLU CB C 13 29.321 0.400 . 1 . . . . 98 GLU CB . 16562 1 1357 . 1 1 98 98 GLU CG C 13 36.000 0.400 . 1 . . . . 98 GLU CG . 16562 1 1358 . 1 1 98 98 GLU N N 15 120.588 0.400 . 1 . . . . 98 GLU N . 16562 1 1359 . 1 1 99 99 GLU H H 1 7.794 0.020 . 1 . . . . 99 GLU H . 16562 1 1360 . 1 1 99 99 GLU HA H 1 4.123 0.020 . 1 . . . . 99 GLU HA . 16562 1 1361 . 1 1 99 99 GLU HB2 H 1 2.043 0.020 . 2 . . . . 99 GLU HB2 . 16562 1 1362 . 1 1 99 99 GLU HB3 H 1 2.037 0.020 . 2 . . . . 99 GLU HB3 . 16562 1 1363 . 1 1 99 99 GLU HG2 H 1 2.221 0.020 . 2 . . . . 99 GLU HG2 . 16562 1 1364 . 1 1 99 99 GLU HG3 H 1 2.438 0.020 . 2 . . . . 99 GLU HG3 . 16562 1 1365 . 1 1 99 99 GLU C C 13 177.665 0.400 . 1 . . . . 99 GLU C . 16562 1 1366 . 1 1 99 99 GLU CA C 13 57.304 0.400 . 1 . . . . 99 GLU CA . 16562 1 1367 . 1 1 99 99 GLU CB C 13 29.368 0.400 . 1 . . . . 99 GLU CB . 16562 1 1368 . 1 1 99 99 GLU CG C 13 36.000 0.400 . 1 . . . . 99 GLU CG . 16562 1 1369 . 1 1 99 99 GLU N N 15 120.067 0.400 . 1 . . . . 99 GLU N . 16562 1 1370 . 1 1 100 100 GLY H H 1 8.138 0.020 . 1 . . . . 100 GLY H . 16562 1 1371 . 1 1 100 100 GLY HA2 H 1 3.865 0.020 . 2 . . . . 100 GLY HA2 . 16562 1 1372 . 1 1 100 100 GLY HA3 H 1 3.715 0.020 . 2 . . . . 100 GLY HA3 . 16562 1 1373 . 1 1 100 100 GLY C C 13 174.464 0.400 . 1 . . . . 100 GLY C . 16562 1 1374 . 1 1 100 100 GLY CA C 13 45.305 0.400 . 1 . . . . 100 GLY CA . 16562 1 1375 . 1 1 100 100 GLY N N 15 107.802 0.400 . 1 . . . . 100 GLY N . 16562 1 1376 . 1 1 101 101 GLY H H 1 8.023 0.020 . 1 . . . . 101 GLY H . 16562 1 1377 . 1 1 101 101 GLY HA2 H 1 3.865 0.020 . 2 . . . . 101 GLY HA2 . 16562 1 1378 . 1 1 101 101 GLY HA3 H 1 3.892 0.020 . 2 . . . . 101 GLY HA3 . 16562 1 1379 . 1 1 101 101 GLY C C 13 174.204 0.400 . 1 . . . . 101 GLY C . 16562 1 1380 . 1 1 101 101 GLY CA C 13 45.036 0.400 . 1 . . . . 101 GLY CA . 16562 1 1381 . 1 1 101 101 GLY N N 15 108.032 0.400 . 1 . . . . 101 GLY N . 16562 1 1382 . 1 1 102 102 SER H H 1 8.059 0.020 . 1 . . . . 102 SER H . 16562 1 1383 . 1 1 102 102 SER HA H 1 4.380 0.020 . 1 . . . . 102 SER HA . 16562 1 1384 . 1 1 102 102 SER HB2 H 1 3.893 0.020 . 2 . . . . 102 SER HB2 . 16562 1 1385 . 1 1 102 102 SER HB3 H 1 3.810 0.020 . 2 . . . . 102 SER HB3 . 16562 1 1386 . 1 1 102 102 SER C C 13 174.627 0.400 . 1 . . . . 102 SER C . 16562 1 1387 . 1 1 102 102 SER CA C 13 58.194 0.400 . 1 . . . . 102 SER CA . 16562 1 1388 . 1 1 102 102 SER CB C 13 63.538 0.400 . 1 . . . . 102 SER CB . 16562 1 1389 . 1 1 102 102 SER N N 15 115.266 0.400 . 1 . . . . 102 SER N . 16562 1 1390 . 1 1 103 103 LEU H H 1 8.287 0.020 . 1 . . . . 103 LEU H . 16562 1 1391 . 1 1 103 103 LEU HA H 1 4.301 0.020 . 1 . . . . 103 LEU HA . 16562 1 1392 . 1 1 103 103 LEU HB2 H 1 1.585 0.020 . 2 . . . . 103 LEU HB2 . 16562 1 1393 . 1 1 103 103 LEU HB3 H 1 1.523 0.020 . 2 . . . . 103 LEU HB3 . 16562 1 1394 . 1 1 103 103 LEU HD11 H 1 0.864 0.020 . 2 . . . . 103 LEU HD11 . 16562 1 1395 . 1 1 103 103 LEU HD12 H 1 0.864 0.020 . 2 . . . . 103 LEU HD12 . 16562 1 1396 . 1 1 103 103 LEU HD13 H 1 0.864 0.020 . 2 . . . . 103 LEU HD13 . 16562 1 1397 . 1 1 103 103 LEU HD21 H 1 0.826 0.020 . 2 . . . . 103 LEU HD21 . 16562 1 1398 . 1 1 103 103 LEU HD22 H 1 0.826 0.020 . 2 . . . . 103 LEU HD22 . 16562 1 1399 . 1 1 103 103 LEU HD23 H 1 0.826 0.020 . 2 . . . . 103 LEU HD23 . 16562 1 1400 . 1 1 103 103 LEU HG H 1 1.582 0.020 . 1 . . . . 103 LEU HG . 16562 1 1401 . 1 1 103 103 LEU C C 13 177.292 0.400 . 1 . . . . 103 LEU C . 16562 1 1402 . 1 1 103 103 LEU CA C 13 55.007 0.400 . 1 . . . . 103 LEU CA . 16562 1 1403 . 1 1 103 103 LEU CB C 13 42.023 0.400 . 1 . . . . 103 LEU CB . 16562 1 1404 . 1 1 103 103 LEU CD1 C 13 25.073 0.400 . 1 . . . . 103 LEU CD1 . 16562 1 1405 . 1 1 103 103 LEU CD2 C 13 23.170 0.400 . 1 . . . . 103 LEU CD2 . 16562 1 1406 . 1 1 103 103 LEU CG C 13 27.000 0.400 . 1 . . . . 103 LEU CG . 16562 1 1407 . 1 1 103 103 LEU N N 15 123.596 0.400 . 1 . . . . 103 LEU N . 16562 1 1408 . 1 1 104 104 GLU H H 1 8.216 0.020 . 1 . . . . 104 GLU H . 16562 1 1409 . 1 1 104 104 GLU HA H 1 4.126 0.020 . 1 . . . . 104 GLU HA . 16562 1 1410 . 1 1 104 104 GLU HB2 H 1 1.809 0.020 . 2 . . . . 104 GLU HB2 . 16562 1 1411 . 1 1 104 104 GLU HB3 H 1 1.870 0.020 . 2 . . . . 104 GLU HB3 . 16562 1 1412 . 1 1 104 104 GLU HG2 H 1 2.147 0.020 . 2 . . . . 104 GLU HG2 . 16562 1 1413 . 1 1 104 104 GLU HG3 H 1 2.097 0.020 . 2 . . . . 104 GLU HG3 . 16562 1 1414 . 1 1 104 104 GLU CA C 13 56.518 0.400 . 1 . . . . 104 GLU CA . 16562 1 1415 . 1 1 104 104 GLU CB C 13 29.837 0.400 . 1 . . . . 104 GLU CB . 16562 1 1416 . 1 1 104 104 GLU CG C 13 35.783 0.400 . 1 . . . . 104 GLU CG . 16562 1 1417 . 1 1 104 104 GLU N N 15 120.510 0.400 . 1 . . . . 104 GLU N . 16562 1 1418 . 1 1 105 105 HIS HA H 1 4.593 0.020 . 1 . . . . 105 HIS HA . 16562 1 1419 . 1 1 105 105 HIS HB2 H 1 3.124 0.020 . 2 . . . . 105 HIS HB2 . 16562 1 1420 . 1 1 105 105 HIS HB3 H 1 3.064 0.020 . 2 . . . . 105 HIS HB3 . 16562 1 1421 . 1 1 105 105 HIS C C 13 173.766 0.400 . 1 . . . . 105 HIS C . 16562 1 1422 . 1 1 105 105 HIS CA C 13 55.536 0.400 . 1 . . . . 105 HIS CA . 16562 1 1423 . 1 1 105 105 HIS CB C 13 30.001 0.400 . 1 . . . . 105 HIS CB . 16562 1 1424 . 1 1 106 106 HIS H H 1 8.154 0.020 . 1 . . . . 106 HIS H . 16562 1 1425 . 1 1 106 106 HIS HA H 1 4.407 0.020 . 1 . . . . 106 HIS HA . 16562 1 1426 . 1 1 106 106 HIS HB2 H 1 3.184 0.020 . 2 . . . . 106 HIS HB2 . 16562 1 1427 . 1 1 106 106 HIS HB3 H 1 3.053 0.020 . 2 . . . . 106 HIS HB3 . 16562 1 1428 . 1 1 106 106 HIS CA C 13 56.920 0.400 . 1 . . . . 106 HIS CA . 16562 1 1429 . 1 1 106 106 HIS CB C 13 30.001 0.400 . 1 . . . . 106 HIS CB . 16562 1 1430 . 1 1 106 106 HIS N N 15 125.332 0.400 . 1 . . . . 106 HIS N . 16562 1 stop_ save_