data_19553 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19553 _Entry.Title ; NMR solution structure of chitin-binding domain from dust mite group XII allergen Blo t 12. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-10-15 _Entry.Accession_date 2013-10-15 _Entry.Last_release_date 2014-11-17 _Entry.Original_release_date 2014-11-17 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details ; The data deposited under this entry was used to solve structure of chitin-binding domain of allergen Blo t 12. The structure describes Blo t 12.0102 isoform identified from the mites found in Singapore. ; _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 Mandar Naik . T. . 19553 2 Camy Kung . C-H. . 19553 3 Tai-huang Huang . . . 19553 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 19553 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Allergen . 19553 'Chitin-binding Domain' . 19553 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19553 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 292 19553 '15N chemical shifts' 66 19553 '1H chemical shifts' 468 19553 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-11-17 2013-10-12 original author . 19553 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19552 'Blo t 19, a minor dust mite allergen from Blomia tropicalis' 19553 PDB 2mfk 'BMRB Entry Tracking System' 19553 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19553 _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 structure of Blo 1 12 CBD domain.' _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 Mandar Naik . T. . 19553 1 2 Camy Kung . C-H. . 19553 1 3 Tai-huang Huang . . . 19553 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19553 _Assembly.ID 1 _Assembly.Name 'Blo 1 12 CBD domain' _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 'Blo 1 12 CBD domain' 1 $entity A . yes native no no . . . 19553 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 20 20 SG . 1 . 1 CYS 38 38 SG . . 94 CYS SG . . 112 CYS SG 19553 1 2 disulfide single . 1 . 1 CYS 52 52 SG . 1 . 1 CYS 65 65 SG . . 126 CYS SG . . 139 CYS SG 19553 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19553 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _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 ; GPLGSDLIVHEGGKTYHVVC HEEGPIPHPGNVHKYIICSK SGSLWYITVMPCSIGTKFDP ISRNCVLDN ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residue 75 to 79 are non-native leftover of purification tag.' _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 69 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'Chitin-binding domain (CBD)' _Entity.Mutation 'Delta79 (First 79 residue truncation).' _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7528.702 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MFK . "Nmr Solution Structure Of Chitin-binding Domain From Dust Mite Group Xii Allergen Blo T 12" . . . . . 100.00 69 100.00 100.00 1.15e-41 . . . . 19553 1 2 no GB AAQ55550 . "allergen Lep d 12 [Lepidoglyphus destructor]" . . . . . 95.65 143 96.97 96.97 1.50e-39 . . . . 19553 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 75 GLY . 19553 1 2 76 PRO . 19553 1 3 77 LEU . 19553 1 4 78 GLY . 19553 1 5 79 SER . 19553 1 6 80 ASP . 19553 1 7 81 LEU . 19553 1 8 82 ILE . 19553 1 9 83 VAL . 19553 1 10 84 HIS . 19553 1 11 85 GLU . 19553 1 12 86 GLY . 19553 1 13 87 GLY . 19553 1 14 88 LYS . 19553 1 15 89 THR . 19553 1 16 90 TYR . 19553 1 17 91 HIS . 19553 1 18 92 VAL . 19553 1 19 93 VAL . 19553 1 20 94 CYS . 19553 1 21 95 HIS . 19553 1 22 96 GLU . 19553 1 23 97 GLU . 19553 1 24 98 GLY . 19553 1 25 99 PRO . 19553 1 26 100 ILE . 19553 1 27 101 PRO . 19553 1 28 102 HIS . 19553 1 29 103 PRO . 19553 1 30 104 GLY . 19553 1 31 105 ASN . 19553 1 32 106 VAL . 19553 1 33 107 HIS . 19553 1 34 108 LYS . 19553 1 35 109 TYR . 19553 1 36 110 ILE . 19553 1 37 111 ILE . 19553 1 38 112 CYS . 19553 1 39 113 SER . 19553 1 40 114 LYS . 19553 1 41 115 SER . 19553 1 42 116 GLY . 19553 1 43 117 SER . 19553 1 44 118 LEU . 19553 1 45 119 TRP . 19553 1 46 120 TYR . 19553 1 47 121 ILE . 19553 1 48 122 THR . 19553 1 49 123 VAL . 19553 1 50 124 MET . 19553 1 51 125 PRO . 19553 1 52 126 CYS . 19553 1 53 127 SER . 19553 1 54 128 ILE . 19553 1 55 129 GLY . 19553 1 56 130 THR . 19553 1 57 131 LYS . 19553 1 58 132 PHE . 19553 1 59 133 ASP . 19553 1 60 134 PRO . 19553 1 61 135 ILE . 19553 1 62 136 SER . 19553 1 63 137 ARG . 19553 1 64 138 ASN . 19553 1 65 139 CYS . 19553 1 66 140 VAL . 19553 1 67 141 LEU . 19553 1 68 142 ASP . 19553 1 69 143 ASN . 19553 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19553 1 . PRO 2 2 19553 1 . LEU 3 3 19553 1 . GLY 4 4 19553 1 . SER 5 5 19553 1 . ASP 6 6 19553 1 . LEU 7 7 19553 1 . ILE 8 8 19553 1 . VAL 9 9 19553 1 . HIS 10 10 19553 1 . GLU 11 11 19553 1 . GLY 12 12 19553 1 . GLY 13 13 19553 1 . LYS 14 14 19553 1 . THR 15 15 19553 1 . TYR 16 16 19553 1 . HIS 17 17 19553 1 . VAL 18 18 19553 1 . VAL 19 19 19553 1 . CYS 20 20 19553 1 . HIS 21 21 19553 1 . GLU 22 22 19553 1 . GLU 23 23 19553 1 . GLY 24 24 19553 1 . PRO 25 25 19553 1 . ILE 26 26 19553 1 . PRO 27 27 19553 1 . HIS 28 28 19553 1 . PRO 29 29 19553 1 . GLY 30 30 19553 1 . ASN 31 31 19553 1 . VAL 32 32 19553 1 . HIS 33 33 19553 1 . LYS 34 34 19553 1 . TYR 35 35 19553 1 . ILE 36 36 19553 1 . ILE 37 37 19553 1 . CYS 38 38 19553 1 . SER 39 39 19553 1 . LYS 40 40 19553 1 . SER 41 41 19553 1 . GLY 42 42 19553 1 . SER 43 43 19553 1 . LEU 44 44 19553 1 . TRP 45 45 19553 1 . TYR 46 46 19553 1 . ILE 47 47 19553 1 . THR 48 48 19553 1 . VAL 49 49 19553 1 . MET 50 50 19553 1 . PRO 51 51 19553 1 . CYS 52 52 19553 1 . SER 53 53 19553 1 . ILE 54 54 19553 1 . GLY 55 55 19553 1 . THR 56 56 19553 1 . LYS 57 57 19553 1 . PHE 58 58 19553 1 . ASP 59 59 19553 1 . PRO 60 60 19553 1 . ILE 61 61 19553 1 . SER 62 62 19553 1 . ARG 63 63 19553 1 . ASN 64 64 19553 1 . CYS 65 65 19553 1 . VAL 66 66 19553 1 . LEU 67 67 19553 1 . ASP 68 68 19553 1 . ASN 69 69 19553 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 19553 _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 . 40697 organism . 'Blomia tropicalis' 'Storage mite' . . Eukaryota Metazoa Blomia tropicalis . Singapore . . . . . . . . . . . . . . 'Blo t 12.0102' . 'House dust mite Blomia Tropicalis (Taxon identifier 40697)' . . 19553 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 19553 _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 BL21 BL21(DE3) . . . . . . . . . . . . . . pGEX6P-3 . . . 'The domain was expressed as GST-fusion protein. After first step of affinity purification, it was refolded and then separated from GST by proteolysis.' . . 19553 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_CN _Sample.Sf_category sample _Sample.Sf_framecode CN _Sample.Entry_ID 19553 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '13C, 15N Blo t 12 CBD' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 12 CBD' '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 1 . . mM 0.05 . . . 19553 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19553 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19553 1 4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 19553 1 5 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 19553 1 stop_ save_ save_N _Sample.Sf_category sample _Sample.Sf_framecode N _Sample.Entry_ID 19553 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '15N Blo t 12 CBD' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 12 CBD' '[U-100% 15N]' . . 1 $entity . . 1 . . mM 0.05 . . . 19553 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19553 2 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19553 2 4 H2O 'natural abundance' . . . . . . 90 . . % 1 . . . 19553 2 5 D2O 'natural abundance' . . . . . . 10 . . % 1 . . . 19553 2 stop_ save_ save_Phage _Sample.Sf_category sample _Sample.Sf_framecode Phage _Sample.Entry_ID 19553 _Sample.ID 3 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details '15N Blo t 12 CBD in Pf1 phage alignment medium.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Blo t 12 CBD' '[U-100% 15N]' . . 1 $entity . . 1 . . mM 0.05 . . . 19553 3 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM 1 . . . 19553 3 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM 1 . . . 19553 3 4 'Pf1 phage' 'natural abundance' . . . . . . 11 . . mg/ml 0.1 . . . 19553 3 5 H2O 'natural abundance' . . . . . . 90 . . % 0.1 . . . 19553 3 6 D2O 'natural abundance' . . . . . . 10 . . % 0.1 . . . 19553 3 stop_ save_ ####################### # Sample conditions # ####################### save_Default _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Default _Sample_condition_list.Entry_ID 19553 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'NMR data was acquired in shigemi tubes.' 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 pH 6.0 0.1 pH 19553 1 pressure 1 . atm 19553 1 temperature 295 0.1 K 19553 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 19553 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19553 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19553 1 processing 19553 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 19553 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 19553 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19553 2 'peak picking' 19553 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19553 _Software.ID 3 _Software.Name CYANA _Software.Version 3.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19553 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19553 3 'structure solution' 19553 3 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 19553 _Software.ID 4 _Software.Name PSVS _Software.Version 1.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 19553 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID validation 19553 4 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19553 _Software.ID 5 _Software.Name 'X-PLOR NIH' _Software.Version 2.34 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19553 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19553 5 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 19553 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 19553 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19553 _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 . 500 . . . 19553 1 2 spectrometer_2 Bruker Avance . 600 . . . 19553 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 19553 _Experiment_list.ID 1 _Experiment_list.Details 'NMR data was acquired at 295K using Shigemi NMR tubes.' loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $N isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 3 '3D HNCO' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 4 '3D HNCA' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 5 '3D HNCACB' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 7 '3D HccoNH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 8 '3D CCcoNH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 9 '3D HCCH-COSY' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19553 1 10 '3D HBHAcoNH' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 11 2D-hbCBcgcdHD no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 12 '3D 1H-13C NOESYHSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 13 '3D 1H-15N NOESYHSQC' no . . . . . . . . . . 1 $CN isotropic . . 1 $Default . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19553 1 14 '2D 1H-15N IPAP HSQC' no . . . . . . . . . . 3 $Phage anisotropic . . 1 $Default . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19553 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 19553 _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 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 19553 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 19553 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 'separate tube (no insert) similar to the experimental sample tube' cylindrical parallel . . . . . . 19553 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_CBD _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode CBD _Assigned_chem_shift_list.Entry_ID 19553 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Default _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 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.4 _Assigned_chem_shift_list.Chem_shift_15N_err 0.4 _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 'Tolerance value used in automated NOESY assignments.' _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 19553 1 2 '2D 1H-13C HSQC' . . . 19553 1 3 '3D HNCO' . . . 19553 1 4 '3D HNCA' . . . 19553 1 5 '3D HNCACB' . . . 19553 1 6 '3D CBCA(CO)NH' . . . 19553 1 7 '3D HccoNH' . . . 19553 1 8 '3D CCcoNH' . . . 19553 1 9 '3D HCCH-COSY' . . . 19553 1 10 '3D HBHAcoNH' . . . 19553 1 11 2D-hbCBcgcdHD . . . 19553 1 12 '3D 1H-13C NOESYHSQC' . . . 19553 1 13 '3D 1H-15N NOESYHSQC' . . . 19553 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 PRO HA H 1 4.521 0.020 . 1 . . . A 76 PRO HA . 19553 1 2 . 1 1 2 2 PRO HB2 H 1 2.364 0.020 . 2 . . . A 76 PRO HB2 . 19553 1 3 . 1 1 2 2 PRO HB3 H 1 1.987 0.020 . 2 . . . A 76 PRO HB3 . 19553 1 4 . 1 1 2 2 PRO HG2 H 1 2.101 0.020 . 2 . . . A 76 PRO HG2 . 19553 1 5 . 1 1 2 2 PRO HG3 H 1 2.101 0.020 . 2 . . . A 76 PRO HG3 . 19553 1 6 . 1 1 2 2 PRO HD2 H 1 4.130 0.020 . 2 . . . A 76 PRO HD2 . 19553 1 7 . 1 1 2 2 PRO HD3 H 1 3.987 0.020 . 2 . . . A 76 PRO HD3 . 19553 1 8 . 1 1 2 2 PRO C C 13 176.427 0.400 . 1 . . . A 76 PRO C . 19553 1 9 . 1 1 2 2 PRO CA C 13 63.057 0.400 . 1 . . . A 76 PRO CA . 19553 1 10 . 1 1 2 2 PRO CB C 13 32.361 0.400 . 1 . . . A 76 PRO CB . 19553 1 11 . 1 1 2 2 PRO CG C 13 27.311 0.400 . 1 . . . A 76 PRO CG . 19553 1 12 . 1 1 2 2 PRO CD C 13 51.074 0.400 . 1 . . . A 76 PRO CD . 19553 1 13 . 1 1 3 3 LEU H H 1 8.571 0.020 . 1 . . . A 77 LEU H . 19553 1 14 . 1 1 3 3 LEU HA H 1 4.429 0.020 . 1 . . . A 77 LEU HA . 19553 1 15 . 1 1 3 3 LEU HB2 H 1 1.678 0.020 . 2 . . . A 77 LEU HB2 . 19553 1 16 . 1 1 3 3 LEU HB3 H 1 1.678 0.020 . 2 . . . A 77 LEU HB3 . 19553 1 17 . 1 1 3 3 LEU HG H 1 1.709 0.020 . 1 . . . A 77 LEU HG . 19553 1 18 . 1 1 3 3 LEU HD11 H 1 0.980 0.020 . 2 . . . A 77 LEU HD11 . 19553 1 19 . 1 1 3 3 LEU HD12 H 1 0.980 0.020 . 2 . . . A 77 LEU HD12 . 19553 1 20 . 1 1 3 3 LEU HD13 H 1 0.980 0.020 . 2 . . . A 77 LEU HD13 . 19553 1 21 . 1 1 3 3 LEU HD21 H 1 0.902 0.020 . 2 . . . A 77 LEU HD21 . 19553 1 22 . 1 1 3 3 LEU HD22 H 1 0.902 0.020 . 2 . . . A 77 LEU HD22 . 19553 1 23 . 1 1 3 3 LEU HD23 H 1 0.902 0.020 . 2 . . . A 77 LEU HD23 . 19553 1 24 . 1 1 3 3 LEU C C 13 175.532 0.400 . 1 . . . A 77 LEU C . 19553 1 25 . 1 1 3 3 LEU CA C 13 55.650 0.400 . 1 . . . A 77 LEU CA . 19553 1 26 . 1 1 3 3 LEU CB C 13 42.341 0.400 . 1 . . . A 77 LEU CB . 19553 1 27 . 1 1 3 3 LEU CG C 13 27.306 0.400 . 1 . . . A 77 LEU CG . 19553 1 28 . 1 1 3 3 LEU CD1 C 13 24.890 0.400 . 1 . . . A 77 LEU CD1 . 19553 1 29 . 1 1 3 3 LEU CD2 C 13 23.777 0.400 . 1 . . . A 77 LEU CD2 . 19553 1 30 . 1 1 3 3 LEU N N 15 122.647 0.400 . 1 . . . A 77 LEU N . 19553 1 31 . 1 1 4 4 GLY H H 1 8.483 0.020 . 1 . . . A 78 GLY H . 19553 1 32 . 1 1 4 4 GLY HA2 H 1 4.040 0.020 . 2 . . . A 78 GLY HA2 . 19553 1 33 . 1 1 4 4 GLY HA3 H 1 4.040 0.020 . 2 . . . A 78 GLY HA3 . 19553 1 34 . 1 1 4 4 GLY C C 13 179.395 0.400 . 1 . . . A 78 GLY C . 19553 1 35 . 1 1 4 4 GLY CA C 13 45.270 0.400 . 1 . . . A 78 GLY CA . 19553 1 36 . 1 1 4 4 GLY N N 15 110.072 0.400 . 1 . . . A 78 GLY N . 19553 1 37 . 1 1 5 5 SER H H 1 8.151 0.020 . 1 . . . A 79 SER H . 19553 1 38 . 1 1 5 5 SER HA H 1 4.549 0.020 . 1 . . . A 79 SER HA . 19553 1 39 . 1 1 5 5 SER HB2 H 1 3.868 0.020 . 2 . . . A 79 SER HB2 . 19553 1 40 . 1 1 5 5 SER HB3 H 1 3.868 0.020 . 2 . . . A 79 SER HB3 . 19553 1 41 . 1 1 5 5 SER C C 13 179.859 0.400 . 1 . . . A 79 SER C . 19553 1 42 . 1 1 5 5 SER CA C 13 58.151 0.400 . 1 . . . A 79 SER CA . 19553 1 43 . 1 1 5 5 SER CB C 13 64.330 0.400 . 1 . . . A 79 SER CB . 19553 1 44 . 1 1 5 5 SER N N 15 115.122 0.400 . 1 . . . A 79 SER N . 19553 1 45 . 1 1 6 6 ASP H H 1 8.294 0.020 . 1 . . . A 80 ASP H . 19553 1 46 . 1 1 6 6 ASP HA H 1 4.753 0.020 . 1 . . . A 80 ASP HA . 19553 1 47 . 1 1 6 6 ASP HB2 H 1 2.707 0.020 . 2 . . . A 80 ASP HB2 . 19553 1 48 . 1 1 6 6 ASP HB3 H 1 2.625 0.020 . 2 . . . A 80 ASP HB3 . 19553 1 49 . 1 1 6 6 ASP C C 13 178.137 0.400 . 1 . . . A 80 ASP C . 19553 1 50 . 1 1 6 6 ASP CA C 13 54.028 0.400 . 1 . . . A 80 ASP CA . 19553 1 51 . 1 1 6 6 ASP CB C 13 41.202 0.400 . 1 . . . A 80 ASP CB . 19553 1 52 . 1 1 6 6 ASP N N 15 122.779 0.400 . 1 . . . A 80 ASP N . 19553 1 53 . 1 1 7 7 LEU H H 1 8.532 0.020 . 1 . . . A 81 LEU H . 19553 1 54 . 1 1 7 7 LEU HA H 1 4.483 0.020 . 1 . . . A 81 LEU HA . 19553 1 55 . 1 1 7 7 LEU HB2 H 1 1.885 0.020 . 2 . . . A 81 LEU HB2 . 19553 1 56 . 1 1 7 7 LEU HB3 H 1 1.248 0.020 . 2 . . . A 81 LEU HB3 . 19553 1 57 . 1 1 7 7 LEU HG H 1 1.653 0.020 . 1 . . . A 81 LEU HG . 19553 1 58 . 1 1 7 7 LEU HD11 H 1 0.784 0.020 . 2 . . . A 81 LEU HD11 . 19553 1 59 . 1 1 7 7 LEU HD12 H 1 0.784 0.020 . 2 . . . A 81 LEU HD12 . 19553 1 60 . 1 1 7 7 LEU HD13 H 1 0.784 0.020 . 2 . . . A 81 LEU HD13 . 19553 1 61 . 1 1 7 7 LEU HD21 H 1 0.784 0.020 . 2 . . . A 81 LEU HD21 . 19553 1 62 . 1 1 7 7 LEU HD22 H 1 0.784 0.020 . 2 . . . A 81 LEU HD22 . 19553 1 63 . 1 1 7 7 LEU HD23 H 1 0.784 0.020 . 2 . . . A 81 LEU HD23 . 19553 1 64 . 1 1 7 7 LEU C C 13 178.326 0.400 . 1 . . . A 81 LEU C . 19553 1 65 . 1 1 7 7 LEU CA C 13 54.110 0.400 . 1 . . . A 81 LEU CA . 19553 1 66 . 1 1 7 7 LEU CB C 13 42.090 0.400 . 1 . . . A 81 LEU CB . 19553 1 67 . 1 1 7 7 LEU CG C 13 26.915 0.400 . 1 . . . A 81 LEU CG . 19553 1 68 . 1 1 7 7 LEU CD1 C 13 26.388 0.400 . 1 . . . A 81 LEU CD1 . 19553 1 69 . 1 1 7 7 LEU CD2 C 13 25.932 0.400 . 1 . . . A 81 LEU CD2 . 19553 1 70 . 1 1 7 7 LEU N N 15 125.106 0.400 . 1 . . . A 81 LEU N . 19553 1 71 . 1 1 8 8 ILE H H 1 7.848 0.020 . 1 . . . A 82 ILE H . 19553 1 72 . 1 1 8 8 ILE HA H 1 4.820 0.020 . 1 . . . A 82 ILE HA . 19553 1 73 . 1 1 8 8 ILE HB H 1 1.483 0.020 . 1 . . . A 82 ILE HB . 19553 1 74 . 1 1 8 8 ILE HG12 H 1 1.235 0.020 . 2 . . . A 82 ILE HG12 . 19553 1 75 . 1 1 8 8 ILE HG13 H 1 0.621 0.020 . 2 . . . A 82 ILE HG13 . 19553 1 76 . 1 1 8 8 ILE HG21 H 1 0.402 0.020 . 1 . . . A 82 ILE HG21 . 19553 1 77 . 1 1 8 8 ILE HG22 H 1 0.402 0.020 . 1 . . . A 82 ILE HG22 . 19553 1 78 . 1 1 8 8 ILE HG23 H 1 0.402 0.020 . 1 . . . A 82 ILE HG23 . 19553 1 79 . 1 1 8 8 ILE HD11 H 1 0.626 0.020 . 1 . . . A 82 ILE HD11 . 19553 1 80 . 1 1 8 8 ILE HD12 H 1 0.626 0.020 . 1 . . . A 82 ILE HD12 . 19553 1 81 . 1 1 8 8 ILE HD13 H 1 0.626 0.020 . 1 . . . A 82 ILE HD13 . 19553 1 82 . 1 1 8 8 ILE C C 13 177.782 0.400 . 1 . . . A 82 ILE C . 19553 1 83 . 1 1 8 8 ILE CA C 13 59.174 0.400 . 1 . . . A 82 ILE CA . 19553 1 84 . 1 1 8 8 ILE CB C 13 40.919 0.400 . 1 . . . A 82 ILE CB . 19553 1 85 . 1 1 8 8 ILE CG1 C 13 26.848 0.400 . 1 . . . A 82 ILE CG1 . 19553 1 86 . 1 1 8 8 ILE CG2 C 13 17.783 0.400 . 1 . . . A 82 ILE CG2 . 19553 1 87 . 1 1 8 8 ILE CD1 C 13 12.855 0.400 . 1 . . . A 82 ILE CD1 . 19553 1 88 . 1 1 8 8 ILE N N 15 120.036 0.400 . 1 . . . A 82 ILE N . 19553 1 89 . 1 1 9 9 VAL H H 1 8.511 0.020 . 1 . . . A 83 VAL H . 19553 1 90 . 1 1 9 9 VAL HA H 1 4.430 0.020 . 1 . . . A 83 VAL HA . 19553 1 91 . 1 1 9 9 VAL HB H 1 1.871 0.020 . 1 . . . A 83 VAL HB . 19553 1 92 . 1 1 9 9 VAL HG11 H 1 0.602 0.020 . 2 . . . A 83 VAL HG11 . 19553 1 93 . 1 1 9 9 VAL HG12 H 1 0.602 0.020 . 2 . . . A 83 VAL HG12 . 19553 1 94 . 1 1 9 9 VAL HG13 H 1 0.602 0.020 . 2 . . . A 83 VAL HG13 . 19553 1 95 . 1 1 9 9 VAL HG21 H 1 0.510 0.020 . 2 . . . A 83 VAL HG21 . 19553 1 96 . 1 1 9 9 VAL HG22 H 1 0.510 0.020 . 2 . . . A 83 VAL HG22 . 19553 1 97 . 1 1 9 9 VAL HG23 H 1 0.510 0.020 . 2 . . . A 83 VAL HG23 . 19553 1 98 . 1 1 9 9 VAL C C 13 179.809 0.400 . 1 . . . A 83 VAL C . 19553 1 99 . 1 1 9 9 VAL CA C 13 59.453 0.400 . 1 . . . A 83 VAL CA . 19553 1 100 . 1 1 9 9 VAL CB C 13 35.153 0.400 . 1 . . . A 83 VAL CB . 19553 1 101 . 1 1 9 9 VAL CG1 C 13 21.759 0.400 . 1 . . . A 83 VAL CG1 . 19553 1 102 . 1 1 9 9 VAL CG2 C 13 20.782 0.400 . 1 . . . A 83 VAL CG2 . 19553 1 103 . 1 1 9 9 VAL N N 15 119.733 0.400 . 1 . . . A 83 VAL N . 19553 1 104 . 1 1 10 10 HIS H H 1 8.908 0.020 . 1 . . . A 84 HIS H . 19553 1 105 . 1 1 10 10 HIS HA H 1 5.560 0.020 . 1 . . . A 84 HIS HA . 19553 1 106 . 1 1 10 10 HIS HB2 H 1 3.211 0.020 . 2 . . . A 84 HIS HB2 . 19553 1 107 . 1 1 10 10 HIS HB3 H 1 3.077 0.020 . 2 . . . A 84 HIS HB3 . 19553 1 108 . 1 1 10 10 HIS HD2 H 1 7.182 0.020 . 1 . . . A 84 HIS HD2 . 19553 1 109 . 1 1 10 10 HIS C C 13 178.593 0.400 . 1 . . . A 84 HIS C . 19553 1 110 . 1 1 10 10 HIS CA C 13 54.577 0.400 . 1 . . . A 84 HIS CA . 19553 1 111 . 1 1 10 10 HIS CB C 13 30.967 0.400 . 1 . . . A 84 HIS CB . 19553 1 112 . 1 1 10 10 HIS CD2 C 13 120.014 0.400 . 1 . . . A 84 HIS CD2 . 19553 1 113 . 1 1 10 10 HIS N N 15 122.907 0.400 . 1 . . . A 84 HIS N . 19553 1 114 . 1 1 11 11 GLU H H 1 8.979 0.020 . 1 . . . A 85 GLU H . 19553 1 115 . 1 1 11 11 GLU HA H 1 4.766 0.020 . 1 . . . A 85 GLU HA . 19553 1 116 . 1 1 11 11 GLU HB2 H 1 2.257 0.020 . 2 . . . A 85 GLU HB2 . 19553 1 117 . 1 1 11 11 GLU HB3 H 1 1.963 0.020 . 2 . . . A 85 GLU HB3 . 19553 1 118 . 1 1 11 11 GLU HG2 H 1 2.115 0.020 . 2 . . . A 85 GLU HG2 . 19553 1 119 . 1 1 11 11 GLU HG3 H 1 2.115 0.020 . 2 . . . A 85 GLU HG3 . 19553 1 120 . 1 1 11 11 GLU C C 13 176.641 0.400 . 1 . . . A 85 GLU C . 19553 1 121 . 1 1 11 11 GLU CA C 13 56.372 0.400 . 1 . . . A 85 GLU CA . 19553 1 122 . 1 1 11 11 GLU CB C 13 32.921 0.400 . 1 . . . A 85 GLU CB . 19553 1 123 . 1 1 11 11 GLU CG C 13 35.094 0.400 . 1 . . . A 85 GLU CG . 19553 1 124 . 1 1 11 11 GLU N N 15 124.766 0.400 . 1 . . . A 85 GLU N . 19553 1 125 . 1 1 12 12 GLY H H 1 9.540 0.020 . 1 . . . A 86 GLY H . 19553 1 126 . 1 1 12 12 GLY HA2 H 1 4.011 0.020 . 2 . . . A 86 GLY HA2 . 19553 1 127 . 1 1 12 12 GLY HA3 H 1 4.011 0.020 . 2 . . . A 86 GLY HA3 . 19553 1 128 . 1 1 12 12 GLY C C 13 178.249 0.400 . 1 . . . A 86 GLY C . 19553 1 129 . 1 1 12 12 GLY CA C 13 47.276 0.400 . 1 . . . A 86 GLY CA . 19553 1 130 . 1 1 12 12 GLY N N 15 119.987 0.400 . 1 . . . A 86 GLY N . 19553 1 131 . 1 1 13 13 GLY H H 1 8.920 0.020 . 1 . . . A 87 GLY H . 19553 1 132 . 1 1 13 13 GLY HA2 H 1 3.793 0.020 . 2 . . . A 87 GLY HA2 . 19553 1 133 . 1 1 13 13 GLY HA3 H 1 4.188 0.020 . 2 . . . A 87 GLY HA3 . 19553 1 134 . 1 1 13 13 GLY C C 13 179.578 0.400 . 1 . . . A 87 GLY C . 19553 1 135 . 1 1 13 13 GLY CA C 13 44.941 0.400 . 1 . . . A 87 GLY CA . 19553 1 136 . 1 1 13 13 GLY N N 15 108.242 0.400 . 1 . . . A 87 GLY N . 19553 1 137 . 1 1 14 14 LYS H H 1 7.858 0.020 . 1 . . . A 88 LYS H . 19553 1 138 . 1 1 14 14 LYS HA H 1 4.618 0.020 . 1 . . . A 88 LYS HA . 19553 1 139 . 1 1 14 14 LYS HB2 H 1 1.881 0.020 . 2 . . . A 88 LYS HB2 . 19553 1 140 . 1 1 14 14 LYS HB3 H 1 1.531 0.020 . 2 . . . A 88 LYS HB3 . 19553 1 141 . 1 1 14 14 LYS HG2 H 1 1.440 0.020 . 2 . . . A 88 LYS HG2 . 19553 1 142 . 1 1 14 14 LYS HG3 H 1 1.300 0.020 . 2 . . . A 88 LYS HG3 . 19553 1 143 . 1 1 14 14 LYS HD2 H 1 1.704 0.020 . 2 . . . A 88 LYS HD2 . 19553 1 144 . 1 1 14 14 LYS HD3 H 1 1.704 0.020 . 2 . . . A 88 LYS HD3 . 19553 1 145 . 1 1 14 14 LYS HE2 H 1 3.010 0.020 . 2 . . . A 88 LYS HE2 . 19553 1 146 . 1 1 14 14 LYS HE3 H 1 3.010 0.020 . 2 . . . A 88 LYS HE3 . 19553 1 147 . 1 1 14 14 LYS C C 13 178.241 0.400 . 1 . . . A 88 LYS C . 19553 1 148 . 1 1 14 14 LYS CA C 13 54.917 0.400 . 1 . . . A 88 LYS CA . 19553 1 149 . 1 1 14 14 LYS CB C 13 35.152 0.400 . 1 . . . A 88 LYS CB . 19553 1 150 . 1 1 14 14 LYS CG C 13 25.149 0.400 . 1 . . . A 88 LYS CG . 19553 1 151 . 1 1 14 14 LYS CD C 13 28.691 0.400 . 1 . . . A 88 LYS CD . 19553 1 152 . 1 1 14 14 LYS CE C 13 42.064 0.400 . 1 . . . A 88 LYS CE . 19553 1 153 . 1 1 14 14 LYS N N 15 121.010 0.400 . 1 . . . A 88 LYS N . 19553 1 154 . 1 1 15 15 THR H H 1 8.230 0.020 . 1 . . . A 89 THR H . 19553 1 155 . 1 1 15 15 THR HA H 1 4.691 0.020 . 1 . . . A 89 THR HA . 19553 1 156 . 1 1 15 15 THR HB H 1 3.760 0.020 . 1 . . . A 89 THR HB . 19553 1 157 . 1 1 15 15 THR HG21 H 1 0.833 0.020 . 1 . . . A 89 THR HG21 . 19553 1 158 . 1 1 15 15 THR HG22 H 1 0.833 0.020 . 1 . . . A 89 THR HG22 . 19553 1 159 . 1 1 15 15 THR HG23 H 1 0.833 0.020 . 1 . . . A 89 THR HG23 . 19553 1 160 . 1 1 15 15 THR C C 13 180.192 0.400 . 1 . . . A 89 THR C . 19553 1 161 . 1 1 15 15 THR CA C 13 61.646 0.400 . 1 . . . A 89 THR CA . 19553 1 162 . 1 1 15 15 THR CB C 13 70.339 0.400 . 1 . . . A 89 THR CB . 19553 1 163 . 1 1 15 15 THR CG2 C 13 21.918 0.400 . 1 . . . A 89 THR CG2 . 19553 1 164 . 1 1 15 15 THR N N 15 117.172 0.400 . 1 . . . A 89 THR N . 19553 1 165 . 1 1 16 16 TYR H H 1 8.927 0.020 . 1 . . . A 90 TYR H . 19553 1 166 . 1 1 16 16 TYR HA H 1 4.679 0.020 . 1 . . . A 90 TYR HA . 19553 1 167 . 1 1 16 16 TYR HB2 H 1 2.384 0.020 . 2 . . . A 90 TYR HB2 . 19553 1 168 . 1 1 16 16 TYR HB3 H 1 2.834 0.020 . 2 . . . A 90 TYR HB3 . 19553 1 169 . 1 1 16 16 TYR HD1 H 1 6.979 0.020 . 1 . . . A 90 TYR HD1 . 19553 1 170 . 1 1 16 16 TYR HD2 H 1 6.979 0.020 . 1 . . . A 90 TYR HD2 . 19553 1 171 . 1 1 16 16 TYR HE1 H 1 6.820 0.020 . 1 . . . A 90 TYR HE1 . 19553 1 172 . 1 1 16 16 TYR HE2 H 1 6.820 0.020 . 1 . . . A 90 TYR HE2 . 19553 1 173 . 1 1 16 16 TYR C C 13 179.282 0.400 . 1 . . . A 90 TYR C . 19553 1 174 . 1 1 16 16 TYR CA C 13 56.407 0.400 . 1 . . . A 90 TYR CA . 19553 1 175 . 1 1 16 16 TYR CB C 13 40.972 0.400 . 1 . . . A 90 TYR CB . 19553 1 176 . 1 1 16 16 TYR CD1 C 13 133.631 0.400 . 1 . . . A 90 TYR CD1 . 19553 1 177 . 1 1 16 16 TYR CD2 C 13 133.631 0.400 . 1 . . . A 90 TYR CD2 . 19553 1 178 . 1 1 16 16 TYR CE1 C 13 117.810 0.400 . 1 . . . A 90 TYR CE1 . 19553 1 179 . 1 1 16 16 TYR CE2 C 13 117.810 0.400 . 1 . . . A 90 TYR CE2 . 19553 1 180 . 1 1 16 16 TYR N N 15 123.521 0.400 . 1 . . . A 90 TYR N . 19553 1 181 . 1 1 17 17 HIS H H 1 8.987 0.020 . 1 . . . A 91 HIS H . 19553 1 182 . 1 1 17 17 HIS HA H 1 5.086 0.020 . 1 . . . A 91 HIS HA . 19553 1 183 . 1 1 17 17 HIS HB2 H 1 3.058 0.020 . 2 . . . A 91 HIS HB2 . 19553 1 184 . 1 1 17 17 HIS HB3 H 1 3.175 0.020 . 2 . . . A 91 HIS HB3 . 19553 1 185 . 1 1 17 17 HIS HD2 H 1 7.148 0.020 . 1 . . . A 91 HIS HD2 . 19553 1 186 . 1 1 17 17 HIS HE1 H 1 8.391 0.020 . 1 . . . A 91 HIS HE1 . 19553 1 187 . 1 1 17 17 HIS C C 13 178.719 0.400 . 1 . . . A 91 HIS C . 19553 1 188 . 1 1 17 17 HIS CA C 13 54.983 0.400 . 1 . . . A 91 HIS CA . 19553 1 189 . 1 1 17 17 HIS CB C 13 29.492 0.400 . 1 . . . A 91 HIS CB . 19553 1 190 . 1 1 17 17 HIS CD2 C 13 120.793 0.400 . 1 . . . A 91 HIS CD2 . 19553 1 191 . 1 1 17 17 HIS CE1 C 13 135.983 0.400 . 1 . . . A 91 HIS CE1 . 19553 1 192 . 1 1 17 17 HIS N N 15 120.999 0.400 . 1 . . . A 91 HIS N . 19553 1 193 . 1 1 18 18 VAL H H 1 8.677 0.020 . 1 . . . A 92 VAL H . 19553 1 194 . 1 1 18 18 VAL HA H 1 4.400 0.020 . 1 . . . A 92 VAL HA . 19553 1 195 . 1 1 18 18 VAL HB H 1 1.816 0.020 . 1 . . . A 92 VAL HB . 19553 1 196 . 1 1 18 18 VAL HG11 H 1 0.614 0.020 . 2 . . . A 92 VAL HG11 . 19553 1 197 . 1 1 18 18 VAL HG12 H 1 0.614 0.020 . 2 . . . A 92 VAL HG12 . 19553 1 198 . 1 1 18 18 VAL HG13 H 1 0.614 0.020 . 2 . . . A 92 VAL HG13 . 19553 1 199 . 1 1 18 18 VAL HG21 H 1 0.522 0.020 . 2 . . . A 92 VAL HG21 . 19553 1 200 . 1 1 18 18 VAL HG22 H 1 0.522 0.020 . 2 . . . A 92 VAL HG22 . 19553 1 201 . 1 1 18 18 VAL HG23 H 1 0.522 0.020 . 2 . . . A 92 VAL HG23 . 19553 1 202 . 1 1 18 18 VAL C C 13 180.110 0.400 . 1 . . . A 92 VAL C . 19553 1 203 . 1 1 18 18 VAL CA C 13 60.160 0.400 . 1 . . . A 92 VAL CA . 19553 1 204 . 1 1 18 18 VAL CB C 13 34.543 0.400 . 1 . . . A 92 VAL CB . 19553 1 205 . 1 1 18 18 VAL CG1 C 13 21.658 0.400 . 1 . . . A 92 VAL CG1 . 19553 1 206 . 1 1 18 18 VAL CG2 C 13 19.983 0.400 . 1 . . . A 92 VAL CG2 . 19553 1 207 . 1 1 18 18 VAL N N 15 120.849 0.400 . 1 . . . A 92 VAL N . 19553 1 208 . 1 1 19 19 VAL H H 1 7.997 0.020 . 1 . . . A 93 VAL H . 19553 1 209 . 1 1 19 19 VAL HA H 1 4.181 0.020 . 1 . . . A 93 VAL HA . 19553 1 210 . 1 1 19 19 VAL HB H 1 1.696 0.020 . 1 . . . A 93 VAL HB . 19553 1 211 . 1 1 19 19 VAL HG11 H 1 0.754 0.020 . 2 . . . A 93 VAL HG11 . 19553 1 212 . 1 1 19 19 VAL HG12 H 1 0.754 0.020 . 2 . . . A 93 VAL HG12 . 19553 1 213 . 1 1 19 19 VAL HG13 H 1 0.754 0.020 . 2 . . . A 93 VAL HG13 . 19553 1 214 . 1 1 19 19 VAL HG21 H 1 0.483 0.020 . 2 . . . A 93 VAL HG21 . 19553 1 215 . 1 1 19 19 VAL HG22 H 1 0.483 0.020 . 2 . . . A 93 VAL HG22 . 19553 1 216 . 1 1 19 19 VAL HG23 H 1 0.483 0.020 . 2 . . . A 93 VAL HG23 . 19553 1 217 . 1 1 19 19 VAL C C 13 178.555 0.400 . 1 . . . A 93 VAL C . 19553 1 218 . 1 1 19 19 VAL CA C 13 60.547 0.400 . 1 . . . A 93 VAL CA . 19553 1 219 . 1 1 19 19 VAL CB C 13 34.275 0.400 . 1 . . . A 93 VAL CB . 19553 1 220 . 1 1 19 19 VAL CG1 C 13 20.643 0.400 . 1 . . . A 93 VAL CG1 . 19553 1 221 . 1 1 19 19 VAL CG2 C 13 20.844 0.400 . 1 . . . A 93 VAL CG2 . 19553 1 222 . 1 1 19 19 VAL N N 15 121.626 0.400 . 1 . . . A 93 VAL N . 19553 1 223 . 1 1 20 20 CYS H H 1 7.890 0.020 . 1 . . . A 94 CYS H . 19553 1 224 . 1 1 20 20 CYS HA H 1 4.393 0.020 . 1 . . . A 94 CYS HA . 19553 1 225 . 1 1 20 20 CYS HB2 H 1 1.323 0.020 . 2 . . . A 94 CYS HB2 . 19553 1 226 . 1 1 20 20 CYS HB3 H 1 1.232 0.020 . 2 . . . A 94 CYS HB3 . 19553 1 227 . 1 1 20 20 CYS CA C 13 53.491 0.400 . 1 . . . A 94 CYS CA . 19553 1 228 . 1 1 20 20 CYS CB C 13 41.492 0.400 . 1 . . . A 94 CYS CB . 19553 1 229 . 1 1 20 20 CYS N N 15 123.035 0.400 . 1 . . . A 94 CYS N . 19553 1 230 . 1 1 21 21 HIS HA H 1 4.433 0.020 . 1 . . . A 95 HIS HA . 19553 1 231 . 1 1 21 21 HIS HB2 H 1 3.187 0.020 . 2 . . . A 95 HIS HB2 . 19553 1 232 . 1 1 21 21 HIS HB3 H 1 2.996 0.020 . 2 . . . A 95 HIS HB3 . 19553 1 233 . 1 1 21 21 HIS HD2 H 1 7.121 0.020 . 1 . . . A 95 HIS HD2 . 19553 1 234 . 1 1 21 21 HIS C C 13 179.991 0.400 . 1 . . . A 95 HIS C . 19553 1 235 . 1 1 21 21 HIS CA C 13 55.411 0.400 . 1 . . . A 95 HIS CA . 19553 1 236 . 1 1 21 21 HIS CB C 13 31.275 0.400 . 1 . . . A 95 HIS CB . 19553 1 237 . 1 1 21 21 HIS CD2 C 13 119.448 0.400 . 1 . . . A 95 HIS CD2 . 19553 1 238 . 1 1 22 22 GLU H H 1 7.623 0.020 . 1 . . . A 96 GLU H . 19553 1 239 . 1 1 22 22 GLU HA H 1 4.841 0.020 . 1 . . . A 96 GLU HA . 19553 1 240 . 1 1 22 22 GLU HB2 H 1 2.198 0.020 . 2 . . . A 96 GLU HB2 . 19553 1 241 . 1 1 22 22 GLU HB3 H 1 2.019 0.020 . 2 . . . A 96 GLU HB3 . 19553 1 242 . 1 1 22 22 GLU HG2 H 1 2.157 0.020 . 2 . . . A 96 GLU HG2 . 19553 1 243 . 1 1 22 22 GLU HG3 H 1 2.157 0.020 . 2 . . . A 96 GLU HG3 . 19553 1 244 . 1 1 22 22 GLU C C 13 178.360 0.400 . 1 . . . A 96 GLU C . 19553 1 245 . 1 1 22 22 GLU CA C 13 54.440 0.400 . 1 . . . A 96 GLU CA . 19553 1 246 . 1 1 22 22 GLU CB C 13 32.505 0.400 . 1 . . . A 96 GLU CB . 19553 1 247 . 1 1 22 22 GLU CG C 13 34.992 0.400 . 1 . . . A 96 GLU CG . 19553 1 248 . 1 1 22 22 GLU N N 15 117.019 0.400 . 1 . . . A 96 GLU N . 19553 1 249 . 1 1 23 23 GLU H H 1 9.280 0.020 . 1 . . . A 97 GLU H . 19553 1 250 . 1 1 23 23 GLU HA H 1 4.443 0.020 . 1 . . . A 97 GLU HA . 19553 1 251 . 1 1 23 23 GLU HB2 H 1 2.327 0.020 . 2 . . . A 97 GLU HB2 . 19553 1 252 . 1 1 23 23 GLU HB3 H 1 2.208 0.020 . 2 . . . A 97 GLU HB3 . 19553 1 253 . 1 1 23 23 GLU HG2 H 1 2.596 0.020 . 2 . . . A 97 GLU HG2 . 19553 1 254 . 1 1 23 23 GLU HG3 H 1 2.596 0.020 . 2 . . . A 97 GLU HG3 . 19553 1 255 . 1 1 23 23 GLU C C 13 176.658 0.400 . 1 . . . A 97 GLU C . 19553 1 256 . 1 1 23 23 GLU CA C 13 57.932 0.400 . 1 . . . A 97 GLU CA . 19553 1 257 . 1 1 23 23 GLU CB C 13 30.651 0.400 . 1 . . . A 97 GLU CB . 19553 1 258 . 1 1 23 23 GLU CG C 13 38.753 0.400 . 1 . . . A 97 GLU CG . 19553 1 259 . 1 1 23 23 GLU N N 15 121.779 0.400 . 1 . . . A 97 GLU N . 19553 1 260 . 1 1 24 24 GLY H H 1 8.745 0.020 . 1 . . . A 98 GLY H . 19553 1 261 . 1 1 24 24 GLY HA2 H 1 4.070 0.020 . 2 . . . A 98 GLY HA2 . 19553 1 262 . 1 1 24 24 GLY HA3 H 1 4.983 0.020 . 2 . . . A 98 GLY HA3 . 19553 1 263 . 1 1 24 24 GLY CA C 13 44.276 0.400 . 1 . . . A 98 GLY CA . 19553 1 264 . 1 1 24 24 GLY N N 15 109.900 0.400 . 1 . . . A 98 GLY N . 19553 1 265 . 1 1 25 25 PRO HA H 1 5.669 0.020 . 1 . . . A 99 PRO HA . 19553 1 266 . 1 1 25 25 PRO HB2 H 1 1.856 0.020 . 2 . . . A 99 PRO HB2 . 19553 1 267 . 1 1 25 25 PRO HB3 H 1 2.195 0.020 . 2 . . . A 99 PRO HB3 . 19553 1 268 . 1 1 25 25 PRO HG2 H 1 2.211 0.020 . 2 . . . A 99 PRO HG2 . 19553 1 269 . 1 1 25 25 PRO HG3 H 1 2.389 0.020 . 2 . . . A 99 PRO HG3 . 19553 1 270 . 1 1 25 25 PRO HD2 H 1 3.829 0.020 . 2 . . . A 99 PRO HD2 . 19553 1 271 . 1 1 25 25 PRO HD3 H 1 3.829 0.020 . 2 . . . A 99 PRO HD3 . 19553 1 272 . 1 1 25 25 PRO C C 13 176.795 0.400 . 1 . . . A 99 PRO C . 19553 1 273 . 1 1 25 25 PRO CA C 13 62.571 0.400 . 1 . . . A 99 PRO CA . 19553 1 274 . 1 1 25 25 PRO CB C 13 33.687 0.400 . 1 . . . A 99 PRO CB . 19553 1 275 . 1 1 25 25 PRO CG C 13 27.381 0.400 . 1 . . . A 99 PRO CG . 19553 1 276 . 1 1 25 25 PRO CD C 13 49.963 0.400 . 1 . . . A 99 PRO CD . 19553 1 277 . 1 1 26 26 ILE H H 1 9.748 0.020 . 1 . . . A 100 ILE H . 19553 1 278 . 1 1 26 26 ILE HA H 1 4.907 0.020 . 1 . . . A 100 ILE HA . 19553 1 279 . 1 1 26 26 ILE HB H 1 2.069 0.020 . 1 . . . A 100 ILE HB . 19553 1 280 . 1 1 26 26 ILE HG12 H 1 1.369 0.020 . 2 . . . A 100 ILE HG12 . 19553 1 281 . 1 1 26 26 ILE HG13 H 1 1.034 0.020 . 2 . . . A 100 ILE HG13 . 19553 1 282 . 1 1 26 26 ILE HG21 H 1 1.061 0.020 . 1 . . . A 100 ILE HG21 . 19553 1 283 . 1 1 26 26 ILE HG22 H 1 1.061 0.020 . 1 . . . A 100 ILE HG22 . 19553 1 284 . 1 1 26 26 ILE HG23 H 1 1.061 0.020 . 1 . . . A 100 ILE HG23 . 19553 1 285 . 1 1 26 26 ILE HD11 H 1 0.681 0.020 . 1 . . . A 100 ILE HD11 . 19553 1 286 . 1 1 26 26 ILE HD12 H 1 0.681 0.020 . 1 . . . A 100 ILE HD12 . 19553 1 287 . 1 1 26 26 ILE HD13 H 1 0.681 0.020 . 1 . . . A 100 ILE HD13 . 19553 1 288 . 1 1 26 26 ILE CA C 13 59.206 0.400 . 1 . . . A 100 ILE CA . 19553 1 289 . 1 1 26 26 ILE CB C 13 40.104 0.400 . 1 . . . A 100 ILE CB . 19553 1 290 . 1 1 26 26 ILE CG1 C 13 25.814 0.400 . 1 . . . A 100 ILE CG1 . 19553 1 291 . 1 1 26 26 ILE CG2 C 13 18.960 0.400 . 1 . . . A 100 ILE CG2 . 19553 1 292 . 1 1 26 26 ILE CD1 C 13 13.702 0.400 . 1 . . . A 100 ILE CD1 . 19553 1 293 . 1 1 26 26 ILE N N 15 118.686 0.400 . 1 . . . A 100 ILE N . 19553 1 294 . 1 1 27 27 PRO HA H 1 4.131 0.020 . 1 . . . A 101 PRO HA . 19553 1 295 . 1 1 27 27 PRO HB2 H 1 1.731 0.020 . 2 . . . A 101 PRO HB2 . 19553 1 296 . 1 1 27 27 PRO HB3 H 1 2.528 0.020 . 2 . . . A 101 PRO HB3 . 19553 1 297 . 1 1 27 27 PRO HG2 H 1 2.327 0.020 . 2 . . . A 101 PRO HG2 . 19553 1 298 . 1 1 27 27 PRO HG3 H 1 2.039 0.020 . 2 . . . A 101 PRO HG3 . 19553 1 299 . 1 1 27 27 PRO HD2 H 1 3.843 0.020 . 2 . . . A 101 PRO HD2 . 19553 1 300 . 1 1 27 27 PRO HD3 H 1 4.005 0.020 . 2 . . . A 101 PRO HD3 . 19553 1 301 . 1 1 27 27 PRO C C 13 177.525 0.400 . 1 . . . A 101 PRO C . 19553 1 302 . 1 1 27 27 PRO CA C 13 63.083 0.400 . 1 . . . A 101 PRO CA . 19553 1 303 . 1 1 27 27 PRO CB C 13 31.670 0.400 . 1 . . . A 101 PRO CB . 19553 1 304 . 1 1 27 27 PRO CG C 13 28.394 0.400 . 1 . . . A 101 PRO CG . 19553 1 305 . 1 1 27 27 PRO CD C 13 50.546 0.400 . 1 . . . A 101 PRO CD . 19553 1 306 . 1 1 28 28 HIS H H 1 8.717 0.020 . 1 . . . A 102 HIS H . 19553 1 307 . 1 1 28 28 HIS HA H 1 4.588 0.020 . 1 . . . A 102 HIS HA . 19553 1 308 . 1 1 28 28 HIS HB2 H 1 2.069 0.020 . 2 . . . A 102 HIS HB2 . 19553 1 309 . 1 1 28 28 HIS HB3 H 1 3.647 0.020 . 2 . . . A 102 HIS HB3 . 19553 1 310 . 1 1 28 28 HIS HD2 H 1 6.563 0.020 . 1 . . . A 102 HIS HD2 . 19553 1 311 . 1 1 28 28 HIS HE1 H 1 8.690 0.020 . 1 . . . A 102 HIS HE1 . 19553 1 312 . 1 1 28 28 HIS CA C 13 52.564 0.400 . 1 . . . A 102 HIS CA . 19553 1 313 . 1 1 28 28 HIS CB C 13 31.870 0.400 . 1 . . . A 102 HIS CB . 19553 1 314 . 1 1 28 28 HIS CD2 C 13 115.933 0.400 . 1 . . . A 102 HIS CD2 . 19553 1 315 . 1 1 28 28 HIS CE1 C 13 136.440 0.400 . 1 . . . A 102 HIS CE1 . 19553 1 316 . 1 1 28 28 HIS N N 15 123.222 0.400 . 1 . . . A 102 HIS N . 19553 1 317 . 1 1 29 29 PRO HA H 1 4.281 0.020 . 1 . . . A 103 PRO HA . 19553 1 318 . 1 1 29 29 PRO HB2 H 1 2.265 0.020 . 2 . . . A 103 PRO HB2 . 19553 1 319 . 1 1 29 29 PRO HB3 H 1 1.667 0.020 . 2 . . . A 103 PRO HB3 . 19553 1 320 . 1 1 29 29 PRO HG2 H 1 1.156 0.020 . 2 . . . A 103 PRO HG2 . 19553 1 321 . 1 1 29 29 PRO HG3 H 1 1.806 0.020 . 2 . . . A 103 PRO HG3 . 19553 1 322 . 1 1 29 29 PRO HD2 H 1 3.606 0.020 . 2 . . . A 103 PRO HD2 . 19553 1 323 . 1 1 29 29 PRO HD3 H 1 2.823 0.020 . 2 . . . A 103 PRO HD3 . 19553 1 324 . 1 1 29 29 PRO CA C 13 63.475 0.400 . 1 . . . A 103 PRO CA . 19553 1 325 . 1 1 29 29 PRO CB C 13 31.986 0.400 . 1 . . . A 103 PRO CB . 19553 1 326 . 1 1 29 29 PRO CG C 13 26.620 0.400 . 1 . . . A 103 PRO CG . 19553 1 327 . 1 1 29 29 PRO CD C 13 50.675 0.400 . 1 . . . A 103 PRO CD . 19553 1 328 . 1 1 30 30 GLY H H 1 9.682 0.020 . 1 . . . A 104 GLY H . 19553 1 329 . 1 1 30 30 GLY HA2 H 1 2.797 0.020 . 2 . . . A 104 GLY HA2 . 19553 1 330 . 1 1 30 30 GLY HA3 H 1 4.340 0.020 . 2 . . . A 104 GLY HA3 . 19553 1 331 . 1 1 30 30 GLY C C 13 168.100 0.400 . 1 . . . A 104 GLY C . 19553 1 332 . 1 1 30 30 GLY CA C 13 44.711 0.400 . 1 . . . A 104 GLY CA . 19553 1 333 . 1 1 30 30 GLY N N 15 106.530 0.400 . 1 . . . A 104 GLY N . 19553 1 334 . 1 1 31 31 ASN H H 1 6.870 0.020 . 1 . . . A 105 ASN H . 19553 1 335 . 1 1 31 31 ASN HA H 1 4.676 0.020 . 1 . . . A 105 ASN HA . 19553 1 336 . 1 1 31 31 ASN HB2 H 1 2.164 0.020 . 2 . . . A 105 ASN HB2 . 19553 1 337 . 1 1 31 31 ASN HB3 H 1 1.822 0.020 . 2 . . . A 105 ASN HB3 . 19553 1 338 . 1 1 31 31 ASN HD21 H 1 7.901 0.020 . 2 . . . A 105 ASN HD21 . 19553 1 339 . 1 1 31 31 ASN HD22 H 1 7.290 0.020 . 2 . . . A 105 ASN HD22 . 19553 1 340 . 1 1 31 31 ASN C C 13 178.082 0.400 . 1 . . . A 105 ASN C . 19553 1 341 . 1 1 31 31 ASN CA C 13 53.234 0.400 . 1 . . . A 105 ASN CA . 19553 1 342 . 1 1 31 31 ASN CB C 13 39.173 0.400 . 1 . . . A 105 ASN CB . 19553 1 343 . 1 1 31 31 ASN N N 15 118.099 0.400 . 1 . . . A 105 ASN N . 19553 1 344 . 1 1 31 31 ASN ND2 N 15 113.027 0.400 . 1 . . . A 105 ASN ND2 . 19553 1 345 . 1 1 32 32 VAL H H 1 8.774 0.020 . 1 . . . A 106 VAL H . 19553 1 346 . 1 1 32 32 VAL HA H 1 4.579 0.020 . 1 . . . A 106 VAL HA . 19553 1 347 . 1 1 32 32 VAL HB H 1 2.362 0.020 . 1 . . . A 106 VAL HB . 19553 1 348 . 1 1 32 32 VAL HG11 H 1 0.867 0.020 . 2 . . . A 106 VAL HG11 . 19553 1 349 . 1 1 32 32 VAL HG12 H 1 0.867 0.020 . 2 . . . A 106 VAL HG12 . 19553 1 350 . 1 1 32 32 VAL HG13 H 1 0.867 0.020 . 2 . . . A 106 VAL HG13 . 19553 1 351 . 1 1 32 32 VAL HG21 H 1 0.722 0.020 . 2 . . . A 106 VAL HG21 . 19553 1 352 . 1 1 32 32 VAL HG22 H 1 0.722 0.020 . 2 . . . A 106 VAL HG22 . 19553 1 353 . 1 1 32 32 VAL HG23 H 1 0.722 0.020 . 2 . . . A 106 VAL HG23 . 19553 1 354 . 1 1 32 32 VAL C C 13 178.463 0.400 . 1 . . . A 106 VAL C . 19553 1 355 . 1 1 32 32 VAL CA C 13 63.313 0.400 . 1 . . . A 106 VAL CA . 19553 1 356 . 1 1 32 32 VAL CB C 13 31.612 0.400 . 1 . . . A 106 VAL CB . 19553 1 357 . 1 1 32 32 VAL CG1 C 13 20.101 0.400 . 1 . . . A 106 VAL CG1 . 19553 1 358 . 1 1 32 32 VAL CG2 C 13 19.093 0.400 . 1 . . . A 106 VAL CG2 . 19553 1 359 . 1 1 32 32 VAL N N 15 123.752 0.400 . 1 . . . A 106 VAL N . 19553 1 360 . 1 1 33 33 HIS H H 1 9.171 0.020 . 1 . . . A 107 HIS H . 19553 1 361 . 1 1 33 33 HIS HA H 1 4.590 0.020 . 1 . . . A 107 HIS HA . 19553 1 362 . 1 1 33 33 HIS HB2 H 1 4.006 0.020 . 2 . . . A 107 HIS HB2 . 19553 1 363 . 1 1 33 33 HIS HB3 H 1 3.179 0.020 . 2 . . . A 107 HIS HB3 . 19553 1 364 . 1 1 33 33 HIS HD2 H 1 7.729 0.020 . 1 . . . A 107 HIS HD2 . 19553 1 365 . 1 1 33 33 HIS C C 13 180.421 0.400 . 1 . . . A 107 HIS C . 19553 1 366 . 1 1 33 33 HIS CA C 13 56.649 0.400 . 1 . . . A 107 HIS CA . 19553 1 367 . 1 1 33 33 HIS CB C 13 27.754 0.400 . 1 . . . A 107 HIS CB . 19553 1 368 . 1 1 33 33 HIS CD2 C 13 120.624 0.400 . 1 . . . A 107 HIS CD2 . 19553 1 369 . 1 1 33 33 HIS N N 15 116.712 0.400 . 1 . . . A 107 HIS N . 19553 1 370 . 1 1 34 34 LYS H H 1 7.627 0.020 . 1 . . . A 108 LYS H . 19553 1 371 . 1 1 34 34 LYS HA H 1 5.118 0.020 . 1 . . . A 108 LYS HA . 19553 1 372 . 1 1 34 34 LYS HB2 H 1 1.146 0.020 . 2 . . . A 108 LYS HB2 . 19553 1 373 . 1 1 34 34 LYS HB3 H 1 1.814 0.020 . 2 . . . A 108 LYS HB3 . 19553 1 374 . 1 1 34 34 LYS HG2 H 1 1.147 0.020 . 2 . . . A 108 LYS HG2 . 19553 1 375 . 1 1 34 34 LYS HG3 H 1 1.147 0.020 . 2 . . . A 108 LYS HG3 . 19553 1 376 . 1 1 34 34 LYS HD2 H 1 1.319 0.020 . 2 . . . A 108 LYS HD2 . 19553 1 377 . 1 1 34 34 LYS HD3 H 1 1.319 0.020 . 2 . . . A 108 LYS HD3 . 19553 1 378 . 1 1 34 34 LYS HE2 H 1 2.758 0.020 . 2 . . . A 108 LYS HE2 . 19553 1 379 . 1 1 34 34 LYS HE3 H 1 2.758 0.020 . 2 . . . A 108 LYS HE3 . 19553 1 380 . 1 1 34 34 LYS C C 13 181.487 0.400 . 1 . . . A 108 LYS C . 19553 1 381 . 1 1 34 34 LYS CA C 13 54.558 0.400 . 1 . . . A 108 LYS CA . 19553 1 382 . 1 1 34 34 LYS CB C 13 39.349 0.400 . 1 . . . A 108 LYS CB . 19553 1 383 . 1 1 34 34 LYS CG C 13 26.670 0.400 . 1 . . . A 108 LYS CG . 19553 1 384 . 1 1 34 34 LYS CD C 13 30.149 0.400 . 1 . . . A 108 LYS CD . 19553 1 385 . 1 1 34 34 LYS CE C 13 41.697 0.400 . 1 . . . A 108 LYS CE . 19553 1 386 . 1 1 34 34 LYS N N 15 119.379 0.400 . 1 . . . A 108 LYS N . 19553 1 387 . 1 1 35 35 TYR H H 1 9.006 0.020 . 1 . . . A 109 TYR H . 19553 1 388 . 1 1 35 35 TYR HA H 1 4.577 0.020 . 1 . . . A 109 TYR HA . 19553 1 389 . 1 1 35 35 TYR HB2 H 1 1.848 0.020 . 2 . . . A 109 TYR HB2 . 19553 1 390 . 1 1 35 35 TYR HB3 H 1 1.597 0.020 . 2 . . . A 109 TYR HB3 . 19553 1 391 . 1 1 35 35 TYR HD1 H 1 6.501 0.020 . 1 . . . A 109 TYR HD1 . 19553 1 392 . 1 1 35 35 TYR HD2 H 1 6.501 0.020 . 1 . . . A 109 TYR HD2 . 19553 1 393 . 1 1 35 35 TYR HE1 H 1 6.490 0.020 . 1 . . . A 109 TYR HE1 . 19553 1 394 . 1 1 35 35 TYR HE2 H 1 6.490 0.020 . 1 . . . A 109 TYR HE2 . 19553 1 395 . 1 1 35 35 TYR C C 13 181.588 0.400 . 1 . . . A 109 TYR C . 19553 1 396 . 1 1 35 35 TYR CA C 13 56.367 0.400 . 1 . . . A 109 TYR CA . 19553 1 397 . 1 1 35 35 TYR CB C 13 37.795 0.400 . 1 . . . A 109 TYR CB . 19553 1 398 . 1 1 35 35 TYR CD1 C 13 133.976 0.400 . 1 . . . A 109 TYR CD1 . 19553 1 399 . 1 1 35 35 TYR CD2 C 13 133.976 0.400 . 1 . . . A 109 TYR CD2 . 19553 1 400 . 1 1 35 35 TYR CE1 C 13 117.466 0.400 . 1 . . . A 109 TYR CE1 . 19553 1 401 . 1 1 35 35 TYR CE2 C 13 117.466 0.400 . 1 . . . A 109 TYR CE2 . 19553 1 402 . 1 1 35 35 TYR N N 15 114.203 0.400 . 1 . . . A 109 TYR N . 19553 1 403 . 1 1 36 36 ILE H H 1 8.764 0.020 . 1 . . . A 110 ILE H . 19553 1 404 . 1 1 36 36 ILE HA H 1 4.685 0.020 . 1 . . . A 110 ILE HA . 19553 1 405 . 1 1 36 36 ILE HB H 1 1.470 0.020 . 1 . . . A 110 ILE HB . 19553 1 406 . 1 1 36 36 ILE HG12 H 1 0.742 0.020 . 2 . . . A 110 ILE HG12 . 19553 1 407 . 1 1 36 36 ILE HG13 H 1 1.244 0.020 . 2 . . . A 110 ILE HG13 . 19553 1 408 . 1 1 36 36 ILE HG21 H 1 0.662 0.020 . 1 . . . A 110 ILE HG21 . 19553 1 409 . 1 1 36 36 ILE HG22 H 1 0.662 0.020 . 1 . . . A 110 ILE HG22 . 19553 1 410 . 1 1 36 36 ILE HG23 H 1 0.662 0.020 . 1 . . . A 110 ILE HG23 . 19553 1 411 . 1 1 36 36 ILE HD11 H 1 0.499 0.020 . 1 . . . A 110 ILE HD11 . 19553 1 412 . 1 1 36 36 ILE HD12 H 1 0.499 0.020 . 1 . . . A 110 ILE HD12 . 19553 1 413 . 1 1 36 36 ILE HD13 H 1 0.499 0.020 . 1 . . . A 110 ILE HD13 . 19553 1 414 . 1 1 36 36 ILE C C 13 178.917 0.400 . 1 . . . A 110 ILE C . 19553 1 415 . 1 1 36 36 ILE CA C 13 59.240 0.400 . 1 . . . A 110 ILE CA . 19553 1 416 . 1 1 36 36 ILE CB C 13 41.230 0.400 . 1 . . . A 110 ILE CB . 19553 1 417 . 1 1 36 36 ILE CG1 C 13 28.642 0.400 . 1 . . . A 110 ILE CG1 . 19553 1 418 . 1 1 36 36 ILE CG2 C 13 18.234 0.400 . 1 . . . A 110 ILE CG2 . 19553 1 419 . 1 1 36 36 ILE CD1 C 13 15.462 0.400 . 1 . . . A 110 ILE CD1 . 19553 1 420 . 1 1 36 36 ILE N N 15 119.840 0.400 . 1 . . . A 110 ILE N . 19553 1 421 . 1 1 37 37 ILE H H 1 9.032 0.020 . 1 . . . A 111 ILE H . 19553 1 422 . 1 1 37 37 ILE HA H 1 4.332 0.020 . 1 . . . A 111 ILE HA . 19553 1 423 . 1 1 37 37 ILE HB H 1 1.785 0.020 . 1 . . . A 111 ILE HB . 19553 1 424 . 1 1 37 37 ILE HG12 H 1 1.019 0.020 . 2 . . . A 111 ILE HG12 . 19553 1 425 . 1 1 37 37 ILE HG13 H 1 1.628 0.020 . 2 . . . A 111 ILE HG13 . 19553 1 426 . 1 1 37 37 ILE HG21 H 1 0.819 0.020 . 1 . . . A 111 ILE HG21 . 19553 1 427 . 1 1 37 37 ILE HG22 H 1 0.819 0.020 . 1 . . . A 111 ILE HG22 . 19553 1 428 . 1 1 37 37 ILE HG23 H 1 0.819 0.020 . 1 . . . A 111 ILE HG23 . 19553 1 429 . 1 1 37 37 ILE HD11 H 1 1.010 0.020 . 1 . . . A 111 ILE HD11 . 19553 1 430 . 1 1 37 37 ILE HD12 H 1 1.010 0.020 . 1 . . . A 111 ILE HD12 . 19553 1 431 . 1 1 37 37 ILE HD13 H 1 1.010 0.020 . 1 . . . A 111 ILE HD13 . 19553 1 432 . 1 1 37 37 ILE C C 13 175.896 0.400 . 1 . . . A 111 ILE C . 19553 1 433 . 1 1 37 37 ILE CA C 13 60.701 0.400 . 1 . . . A 111 ILE CA . 19553 1 434 . 1 1 37 37 ILE CB C 13 39.513 0.400 . 1 . . . A 111 ILE CB . 19553 1 435 . 1 1 37 37 ILE CG1 C 13 28.006 0.400 . 1 . . . A 111 ILE CG1 . 19553 1 436 . 1 1 37 37 ILE CG2 C 13 18.042 0.400 . 1 . . . A 111 ILE CG2 . 19553 1 437 . 1 1 37 37 ILE CD1 C 13 13.404 0.400 . 1 . . . A 111 ILE CD1 . 19553 1 438 . 1 1 37 37 ILE N N 15 124.346 0.400 . 1 . . . A 111 ILE N . 19553 1 439 . 1 1 38 38 CYS H H 1 8.517 0.020 . 1 . . . A 112 CYS H . 19553 1 440 . 1 1 38 38 CYS HA H 1 5.081 0.020 . 1 . . . A 112 CYS HA . 19553 1 441 . 1 1 38 38 CYS HB2 H 1 3.732 0.020 . 2 . . . A 112 CYS HB2 . 19553 1 442 . 1 1 38 38 CYS HB3 H 1 2.939 0.020 . 2 . . . A 112 CYS HB3 . 19553 1 443 . 1 1 38 38 CYS C C 13 178.268 0.400 . 1 . . . A 112 CYS C . 19553 1 444 . 1 1 38 38 CYS CA C 13 57.242 0.400 . 1 . . . A 112 CYS CA . 19553 1 445 . 1 1 38 38 CYS CB C 13 43.955 0.400 . 1 . . . A 112 CYS CB . 19553 1 446 . 1 1 38 38 CYS N N 15 128.772 0.400 . 1 . . . A 112 CYS N . 19553 1 447 . 1 1 39 39 SER H H 1 9.361 0.020 . 1 . . . A 113 SER H . 19553 1 448 . 1 1 39 39 SER HA H 1 4.996 0.020 . 1 . . . A 113 SER HA . 19553 1 449 . 1 1 39 39 SER HB2 H 1 3.613 0.020 . 2 . . . A 113 SER HB2 . 19553 1 450 . 1 1 39 39 SER HB3 H 1 2.922 0.020 . 2 . . . A 113 SER HB3 . 19553 1 451 . 1 1 39 39 SER C C 13 170.800 0.400 . 1 . . . A 113 SER C . 19553 1 452 . 1 1 39 39 SER CA C 13 57.517 0.400 . 1 . . . A 113 SER CA . 19553 1 453 . 1 1 39 39 SER CB C 13 65.528 0.400 . 1 . . . A 113 SER CB . 19553 1 454 . 1 1 39 39 SER N N 15 120.988 0.400 . 1 . . . A 113 SER N . 19553 1 455 . 1 1 40 40 LYS H H 1 8.899 0.020 . 1 . . . A 114 LYS H . 19553 1 456 . 1 1 40 40 LYS HA H 1 4.604 0.020 . 1 . . . A 114 LYS HA . 19553 1 457 . 1 1 40 40 LYS HB2 H 1 1.161 0.020 . 2 . . . A 114 LYS HB2 . 19553 1 458 . 1 1 40 40 LYS HB3 H 1 0.699 0.020 . 2 . . . A 114 LYS HB3 . 19553 1 459 . 1 1 40 40 LYS HG2 H 1 0.395 0.020 . 2 . . . A 114 LYS HG2 . 19553 1 460 . 1 1 40 40 LYS HG3 H 1 0.315 0.020 . 2 . . . A 114 LYS HG3 . 19553 1 461 . 1 1 40 40 LYS HD2 H 1 0.814 0.020 . 2 . . . A 114 LYS HD2 . 19553 1 462 . 1 1 40 40 LYS HD3 H 1 0.814 0.020 . 2 . . . A 114 LYS HD3 . 19553 1 463 . 1 1 40 40 LYS HE2 H 1 2.337 0.020 . 2 . . . A 114 LYS HE2 . 19553 1 464 . 1 1 40 40 LYS HE3 H 1 2.163 0.020 . 2 . . . A 114 LYS HE3 . 19553 1 465 . 1 1 40 40 LYS C C 13 176.524 0.400 . 1 . . . A 114 LYS C . 19553 1 466 . 1 1 40 40 LYS CA C 13 54.862 0.400 . 1 . . . A 114 LYS CA . 19553 1 467 . 1 1 40 40 LYS CB C 13 34.383 0.400 . 1 . . . A 114 LYS CB . 19553 1 468 . 1 1 40 40 LYS CG C 13 24.076 0.400 . 1 . . . A 114 LYS CG . 19553 1 469 . 1 1 40 40 LYS CD C 13 28.599 0.400 . 1 . . . A 114 LYS CD . 19553 1 470 . 1 1 40 40 LYS CE C 13 40.995 0.400 . 1 . . . A 114 LYS CE . 19553 1 471 . 1 1 40 40 LYS N N 15 123.657 0.400 . 1 . . . A 114 LYS N . 19553 1 472 . 1 1 41 41 SER H H 1 8.560 0.020 . 1 . . . A 115 SER H . 19553 1 473 . 1 1 41 41 SER HA H 1 4.589 0.020 . 1 . . . A 115 SER HA . 19553 1 474 . 1 1 41 41 SER HB2 H 1 3.618 0.020 . 2 . . . A 115 SER HB2 . 19553 1 475 . 1 1 41 41 SER HB3 H 1 3.757 0.020 . 2 . . . A 115 SER HB3 . 19553 1 476 . 1 1 41 41 SER C C 13 178.064 0.400 . 1 . . . A 115 SER C . 19553 1 477 . 1 1 41 41 SER CA C 13 56.468 0.400 . 1 . . . A 115 SER CA . 19553 1 478 . 1 1 41 41 SER CB C 13 63.236 0.400 . 1 . . . A 115 SER CB . 19553 1 479 . 1 1 41 41 SER N N 15 119.515 0.400 . 1 . . . A 115 SER N . 19553 1 480 . 1 1 42 42 GLY H H 1 9.067 0.020 . 1 . . . A 116 GLY H . 19553 1 481 . 1 1 42 42 GLY HA2 H 1 4.024 0.020 . 2 . . . A 116 GLY HA2 . 19553 1 482 . 1 1 42 42 GLY HA3 H 1 3.625 0.020 . 2 . . . A 116 GLY HA3 . 19553 1 483 . 1 1 42 42 GLY C C 13 178.577 0.400 . 1 . . . A 116 GLY C . 19553 1 484 . 1 1 42 42 GLY CA C 13 46.947 0.400 . 1 . . . A 116 GLY CA . 19553 1 485 . 1 1 42 42 GLY N N 15 118.606 0.400 . 1 . . . A 116 GLY N . 19553 1 486 . 1 1 43 43 SER H H 1 8.908 0.020 . 1 . . . A 117 SER H . 19553 1 487 . 1 1 43 43 SER HA H 1 4.310 0.020 . 1 . . . A 117 SER HA . 19553 1 488 . 1 1 43 43 SER HB2 H 1 3.939 0.020 . 2 . . . A 117 SER HB2 . 19553 1 489 . 1 1 43 43 SER HB3 H 1 3.939 0.020 . 2 . . . A 117 SER HB3 . 19553 1 490 . 1 1 43 43 SER C C 13 180.107 0.400 . 1 . . . A 117 SER C . 19553 1 491 . 1 1 43 43 SER CA C 13 58.416 0.400 . 1 . . . A 117 SER CA . 19553 1 492 . 1 1 43 43 SER CB C 13 63.758 0.400 . 1 . . . A 117 SER CB . 19553 1 493 . 1 1 43 43 SER N N 15 121.443 0.400 . 1 . . . A 117 SER N . 19553 1 494 . 1 1 44 44 LEU H H 1 7.763 0.020 . 1 . . . A 118 LEU H . 19553 1 495 . 1 1 44 44 LEU HA H 1 4.586 0.020 . 1 . . . A 118 LEU HA . 19553 1 496 . 1 1 44 44 LEU HB2 H 1 1.843 0.020 . 2 . . . A 118 LEU HB2 . 19553 1 497 . 1 1 44 44 LEU HB3 H 1 1.600 0.020 . 2 . . . A 118 LEU HB3 . 19553 1 498 . 1 1 44 44 LEU HG H 1 1.682 0.020 . 1 . . . A 118 LEU HG . 19553 1 499 . 1 1 44 44 LEU HD11 H 1 0.982 0.020 . 2 . . . A 118 LEU HD11 . 19553 1 500 . 1 1 44 44 LEU HD12 H 1 0.982 0.020 . 2 . . . A 118 LEU HD12 . 19553 1 501 . 1 1 44 44 LEU HD13 H 1 0.982 0.020 . 2 . . . A 118 LEU HD13 . 19553 1 502 . 1 1 44 44 LEU HD21 H 1 0.911 0.020 . 2 . . . A 118 LEU HD21 . 19553 1 503 . 1 1 44 44 LEU HD22 H 1 0.911 0.020 . 2 . . . A 118 LEU HD22 . 19553 1 504 . 1 1 44 44 LEU HD23 H 1 0.911 0.020 . 2 . . . A 118 LEU HD23 . 19553 1 505 . 1 1 44 44 LEU C C 13 177.894 0.400 . 1 . . . A 118 LEU C . 19553 1 506 . 1 1 44 44 LEU CA C 13 54.117 0.400 . 1 . . . A 118 LEU CA . 19553 1 507 . 1 1 44 44 LEU CB C 13 44.230 0.400 . 1 . . . A 118 LEU CB . 19553 1 508 . 1 1 44 44 LEU CG C 13 27.155 0.400 . 1 . . . A 118 LEU CG . 19553 1 509 . 1 1 44 44 LEU CD1 C 13 24.829 0.400 . 1 . . . A 118 LEU CD1 . 19553 1 510 . 1 1 44 44 LEU CD2 C 13 23.781 0.400 . 1 . . . A 118 LEU CD2 . 19553 1 511 . 1 1 44 44 LEU N N 15 123.028 0.400 . 1 . . . A 118 LEU N . 19553 1 512 . 1 1 45 45 TRP H H 1 8.102 0.020 . 1 . . . A 119 TRP H . 19553 1 513 . 1 1 45 45 TRP HA H 1 5.218 0.020 . 1 . . . A 119 TRP HA . 19553 1 514 . 1 1 45 45 TRP HB2 H 1 3.024 0.020 . 2 . . . A 119 TRP HB2 . 19553 1 515 . 1 1 45 45 TRP HB3 H 1 3.024 0.020 . 2 . . . A 119 TRP HB3 . 19553 1 516 . 1 1 45 45 TRP HD1 H 1 7.283 0.020 . 1 . . . A 119 TRP HD1 . 19553 1 517 . 1 1 45 45 TRP HE1 H 1 9.942 0.020 . 1 . . . A 119 TRP HE1 . 19553 1 518 . 1 1 45 45 TRP HE3 H 1 7.456 0.020 . 1 . . . A 119 TRP HE3 . 19553 1 519 . 1 1 45 45 TRP HZ2 H 1 7.216 0.020 . 1 . . . A 119 TRP HZ2 . 19553 1 520 . 1 1 45 45 TRP HZ3 H 1 6.346 0.020 . 1 . . . A 119 TRP HZ3 . 19553 1 521 . 1 1 45 45 TRP HH2 H 1 6.704 0.020 . 1 . . . A 119 TRP HH2 . 19553 1 522 . 1 1 45 45 TRP C C 13 177.735 0.400 . 1 . . . A 119 TRP C . 19553 1 523 . 1 1 45 45 TRP CA C 13 56.441 0.400 . 1 . . . A 119 TRP CA . 19553 1 524 . 1 1 45 45 TRP CB C 13 32.181 0.400 . 1 . . . A 119 TRP CB . 19553 1 525 . 1 1 45 45 TRP CD1 C 13 127.130 0.400 . 1 . . . A 119 TRP CD1 . 19553 1 526 . 1 1 45 45 TRP CE3 C 13 120.657 0.400 . 1 . . . A 119 TRP CE3 . 19553 1 527 . 1 1 45 45 TRP CZ2 C 13 114.140 0.400 . 1 . . . A 119 TRP CZ2 . 19553 1 528 . 1 1 45 45 TRP CZ3 C 13 120.623 0.400 . 1 . . . A 119 TRP CZ3 . 19553 1 529 . 1 1 45 45 TRP CH2 C 13 123.180 0.400 . 1 . . . A 119 TRP CH2 . 19553 1 530 . 1 1 45 45 TRP N N 15 120.523 0.400 . 1 . . . A 119 TRP N . 19553 1 531 . 1 1 45 45 TRP NE1 N 15 128.861 0.400 . 1 . . . A 119 TRP NE1 . 19553 1 532 . 1 1 46 46 TYR H H 1 9.495 0.020 . 1 . . . A 120 TYR H . 19553 1 533 . 1 1 46 46 TYR HA H 1 4.855 0.020 . 1 . . . A 120 TYR HA . 19553 1 534 . 1 1 46 46 TYR HB2 H 1 2.992 0.020 . 2 . . . A 120 TYR HB2 . 19553 1 535 . 1 1 46 46 TYR HB3 H 1 2.992 0.020 . 2 . . . A 120 TYR HB3 . 19553 1 536 . 1 1 46 46 TYR HD1 H 1 6.979 0.020 . 1 . . . A 120 TYR HD1 . 19553 1 537 . 1 1 46 46 TYR HD2 H 1 6.979 0.020 . 1 . . . A 120 TYR HD2 . 19553 1 538 . 1 1 46 46 TYR HE1 H 1 6.645 0.020 . 1 . . . A 120 TYR HE1 . 19553 1 539 . 1 1 46 46 TYR HE2 H 1 6.652 0.020 . 1 . . . A 120 TYR HE2 . 19553 1 540 . 1 1 46 46 TYR C C 13 179.683 0.400 . 1 . . . A 120 TYR C . 19553 1 541 . 1 1 46 46 TYR CA C 13 56.427 0.400 . 1 . . . A 120 TYR CA . 19553 1 542 . 1 1 46 46 TYR CB C 13 40.788 0.400 . 1 . . . A 120 TYR CB . 19553 1 543 . 1 1 46 46 TYR CD1 C 13 133.631 0.400 . 1 . . . A 120 TYR CD1 . 19553 1 544 . 1 1 46 46 TYR CD2 C 13 133.631 0.400 . 1 . . . A 120 TYR CD2 . 19553 1 545 . 1 1 46 46 TYR CE1 C 13 117.921 0.400 . 1 . . . A 120 TYR CE1 . 19553 1 546 . 1 1 46 46 TYR CE2 C 13 117.884 0.400 . 1 . . . A 120 TYR CE2 . 19553 1 547 . 1 1 46 46 TYR N N 15 119.365 0.400 . 1 . . . A 120 TYR N . 19553 1 548 . 1 1 47 47 ILE H H 1 8.338 0.020 . 1 . . . A 121 ILE H . 19553 1 549 . 1 1 47 47 ILE HA H 1 5.695 0.020 . 1 . . . A 121 ILE HA . 19553 1 550 . 1 1 47 47 ILE HB H 1 1.541 0.020 . 1 . . . A 121 ILE HB . 19553 1 551 . 1 1 47 47 ILE HG12 H 1 1.538 0.020 . 2 . . . A 121 ILE HG12 . 19553 1 552 . 1 1 47 47 ILE HG13 H 1 1.054 0.020 . 2 . . . A 121 ILE HG13 . 19553 1 553 . 1 1 47 47 ILE HG21 H 1 0.795 0.020 . 1 . . . A 121 ILE HG21 . 19553 1 554 . 1 1 47 47 ILE HG22 H 1 0.795 0.020 . 1 . . . A 121 ILE HG22 . 19553 1 555 . 1 1 47 47 ILE HG23 H 1 0.795 0.020 . 1 . . . A 121 ILE HG23 . 19553 1 556 . 1 1 47 47 ILE HD11 H 1 0.578 0.020 . 1 . . . A 121 ILE HD11 . 19553 1 557 . 1 1 47 47 ILE HD12 H 1 0.578 0.020 . 1 . . . A 121 ILE HD12 . 19553 1 558 . 1 1 47 47 ILE HD13 H 1 0.578 0.020 . 1 . . . A 121 ILE HD13 . 19553 1 559 . 1 1 47 47 ILE C C 13 177.137 0.400 . 1 . . . A 121 ILE C . 19553 1 560 . 1 1 47 47 ILE CA C 13 58.266 0.400 . 1 . . . A 121 ILE CA . 19553 1 561 . 1 1 47 47 ILE CB C 13 43.191 0.400 . 1 . . . A 121 ILE CB . 19553 1 562 . 1 1 47 47 ILE CG1 C 13 24.890 0.400 . 1 . . . A 121 ILE CG1 . 19553 1 563 . 1 1 47 47 ILE CG2 C 13 20.175 0.400 . 1 . . . A 121 ILE CG2 . 19553 1 564 . 1 1 47 47 ILE CD1 C 13 14.813 0.400 . 1 . . . A 121 ILE CD1 . 19553 1 565 . 1 1 47 47 ILE N N 15 111.471 0.400 . 1 . . . A 121 ILE N . 19553 1 566 . 1 1 48 48 THR H H 1 7.796 0.020 . 1 . . . A 122 THR H . 19553 1 567 . 1 1 48 48 THR HA H 1 4.493 0.020 . 1 . . . A 122 THR HA . 19553 1 568 . 1 1 48 48 THR HB H 1 3.807 0.020 . 1 . . . A 122 THR HB . 19553 1 569 . 1 1 48 48 THR HG21 H 1 1.206 0.020 . 1 . . . A 122 THR HG21 . 19553 1 570 . 1 1 48 48 THR HG22 H 1 1.206 0.020 . 1 . . . A 122 THR HG22 . 19553 1 571 . 1 1 48 48 THR HG23 H 1 1.206 0.020 . 1 . . . A 122 THR HG23 . 19553 1 572 . 1 1 48 48 THR C C 13 180.251 0.400 . 1 . . . A 122 THR C . 19553 1 573 . 1 1 48 48 THR CA C 13 61.437 0.400 . 1 . . . A 122 THR CA . 19553 1 574 . 1 1 48 48 THR CB C 13 71.892 0.400 . 1 . . . A 122 THR CB . 19553 1 575 . 1 1 48 48 THR CG2 C 13 21.434 0.400 . 1 . . . A 122 THR CG2 . 19553 1 576 . 1 1 48 48 THR N N 15 116.120 0.400 . 1 . . . A 122 THR N . 19553 1 577 . 1 1 49 49 VAL H H 1 9.009 0.020 . 1 . . . A 123 VAL H . 19553 1 578 . 1 1 49 49 VAL HA H 1 4.272 0.020 . 1 . . . A 123 VAL HA . 19553 1 579 . 1 1 49 49 VAL HB H 1 2.047 0.020 . 1 . . . A 123 VAL HB . 19553 1 580 . 1 1 49 49 VAL HG11 H 1 1.026 0.020 . 2 . . . A 123 VAL HG11 . 19553 1 581 . 1 1 49 49 VAL HG12 H 1 1.026 0.020 . 2 . . . A 123 VAL HG12 . 19553 1 582 . 1 1 49 49 VAL HG13 H 1 1.026 0.020 . 2 . . . A 123 VAL HG13 . 19553 1 583 . 1 1 49 49 VAL HG21 H 1 0.986 0.020 . 2 . . . A 123 VAL HG21 . 19553 1 584 . 1 1 49 49 VAL HG22 H 1 0.986 0.020 . 2 . . . A 123 VAL HG22 . 19553 1 585 . 1 1 49 49 VAL HG23 H 1 0.986 0.020 . 2 . . . A 123 VAL HG23 . 19553 1 586 . 1 1 49 49 VAL C C 13 178.576 0.400 . 1 . . . A 123 VAL C . 19553 1 587 . 1 1 49 49 VAL CA C 13 62.958 0.400 . 1 . . . A 123 VAL CA . 19553 1 588 . 1 1 49 49 VAL CB C 13 32.032 0.400 . 1 . . . A 123 VAL CB . 19553 1 589 . 1 1 49 49 VAL CG1 C 13 22.795 0.400 . 1 . . . A 123 VAL CG1 . 19553 1 590 . 1 1 49 49 VAL CG2 C 13 21.959 0.400 . 1 . . . A 123 VAL CG2 . 19553 1 591 . 1 1 49 49 VAL N N 15 128.072 0.400 . 1 . . . A 123 VAL N . 19553 1 592 . 1 1 50 50 MET H H 1 8.799 0.020 . 1 . . . A 124 MET H . 19553 1 593 . 1 1 50 50 MET HA H 1 5.053 0.020 . 1 . . . A 124 MET HA . 19553 1 594 . 1 1 50 50 MET HB2 H 1 0.156 0.020 . 2 . . . A 124 MET HB2 . 19553 1 595 . 1 1 50 50 MET HB3 H 1 1.322 0.020 . 2 . . . A 124 MET HB3 . 19553 1 596 . 1 1 50 50 MET HG2 H 1 2.206 0.020 . 2 . . . A 124 MET HG2 . 19553 1 597 . 1 1 50 50 MET HG3 H 1 2.010 0.020 . 2 . . . A 124 MET HG3 . 19553 1 598 . 1 1 50 50 MET HE1 H 1 2.084 0.020 . 1 . . . A 124 MET HE1 . 19553 1 599 . 1 1 50 50 MET HE2 H 1 2.084 0.020 . 1 . . . A 124 MET HE2 . 19553 1 600 . 1 1 50 50 MET HE3 H 1 2.084 0.020 . 1 . . . A 124 MET HE3 . 19553 1 601 . 1 1 50 50 MET CA C 13 50.145 0.400 . 1 . . . A 124 MET CA . 19553 1 602 . 1 1 50 50 MET CB C 13 33.625 0.400 . 1 . . . A 124 MET CB . 19553 1 603 . 1 1 50 50 MET CG C 13 31.889 0.400 . 1 . . . A 124 MET CG . 19553 1 604 . 1 1 50 50 MET CE C 13 16.736 0.400 . 1 . . . A 124 MET CE . 19553 1 605 . 1 1 50 50 MET N N 15 127.234 0.400 . 1 . . . A 124 MET N . 19553 1 606 . 1 1 51 51 PRO HA H 1 4.891 0.020 . 1 . . . A 125 PRO HA . 19553 1 607 . 1 1 51 51 PRO HB2 H 1 2.121 0.020 . 2 . . . A 125 PRO HB2 . 19553 1 608 . 1 1 51 51 PRO HB3 H 1 2.000 0.020 . 2 . . . A 125 PRO HB3 . 19553 1 609 . 1 1 51 51 PRO HG2 H 1 2.188 0.020 . 2 . . . A 125 PRO HG2 . 19553 1 610 . 1 1 51 51 PRO HG3 H 1 2.111 0.020 . 2 . . . A 125 PRO HG3 . 19553 1 611 . 1 1 51 51 PRO HD2 H 1 3.756 0.020 . 2 . . . A 125 PRO HD2 . 19553 1 612 . 1 1 51 51 PRO HD3 H 1 3.756 0.020 . 2 . . . A 125 PRO HD3 . 19553 1 613 . 1 1 51 51 PRO C C 13 174.594 0.400 . 1 . . . A 125 PRO C . 19553 1 614 . 1 1 51 51 PRO CA C 13 61.564 0.400 . 1 . . . A 125 PRO CA . 19553 1 615 . 1 1 51 51 PRO CB C 13 31.310 0.400 . 1 . . . A 125 PRO CB . 19553 1 616 . 1 1 51 51 PRO CG C 13 26.312 0.400 . 1 . . . A 125 PRO CG . 19553 1 617 . 1 1 51 51 PRO CD C 13 49.927 0.400 . 1 . . . A 125 PRO CD . 19553 1 618 . 1 1 52 52 CYS H H 1 8.355 0.020 . 1 . . . A 126 CYS H . 19553 1 619 . 1 1 52 52 CYS HA H 1 5.131 0.020 . 1 . . . A 126 CYS HA . 19553 1 620 . 1 1 52 52 CYS HB2 H 1 2.579 0.020 . 2 . . . A 126 CYS HB2 . 19553 1 621 . 1 1 52 52 CYS HB3 H 1 4.180 0.020 . 2 . . . A 126 CYS HB3 . 19553 1 622 . 1 1 52 52 CYS C C 13 177.425 0.400 . 1 . . . A 126 CYS C . 19553 1 623 . 1 1 52 52 CYS CA C 13 53.556 0.400 . 1 . . . A 126 CYS CA . 19553 1 624 . 1 1 52 52 CYS CB C 13 38.277 0.400 . 1 . . . A 126 CYS CB . 19553 1 625 . 1 1 52 52 CYS N N 15 119.444 0.400 . 1 . . . A 126 CYS N . 19553 1 626 . 1 1 53 53 SER H H 1 8.255 0.020 . 1 . . . A 127 SER H . 19553 1 627 . 1 1 53 53 SER HA H 1 4.382 0.020 . 1 . . . A 127 SER HA . 19553 1 628 . 1 1 53 53 SER HB2 H 1 3.949 0.020 . 2 . . . A 127 SER HB2 . 19553 1 629 . 1 1 53 53 SER HB3 H 1 3.949 0.020 . 2 . . . A 127 SER HB3 . 19553 1 630 . 1 1 53 53 SER C C 13 178.499 0.400 . 1 . . . A 127 SER C . 19553 1 631 . 1 1 53 53 SER CA C 13 59.179 0.400 . 1 . . . A 127 SER CA . 19553 1 632 . 1 1 53 53 SER CB C 13 63.503 0.400 . 1 . . . A 127 SER CB . 19553 1 633 . 1 1 53 53 SER N N 15 117.888 0.400 . 1 . . . A 127 SER N . 19553 1 634 . 1 1 54 54 ILE H H 1 8.727 0.020 . 1 . . . A 128 ILE H . 19553 1 635 . 1 1 54 54 ILE HA H 1 3.988 0.020 . 1 . . . A 128 ILE HA . 19553 1 636 . 1 1 54 54 ILE HB H 1 1.871 0.020 . 1 . . . A 128 ILE HB . 19553 1 637 . 1 1 54 54 ILE HG12 H 1 1.315 0.020 . 2 . . . A 128 ILE HG12 . 19553 1 638 . 1 1 54 54 ILE HG13 H 1 1.641 0.020 . 2 . . . A 128 ILE HG13 . 19553 1 639 . 1 1 54 54 ILE HG21 H 1 0.974 0.020 . 1 . . . A 128 ILE HG21 . 19553 1 640 . 1 1 54 54 ILE HG22 H 1 0.974 0.020 . 1 . . . A 128 ILE HG22 . 19553 1 641 . 1 1 54 54 ILE HG23 H 1 0.974 0.020 . 1 . . . A 128 ILE HG23 . 19553 1 642 . 1 1 54 54 ILE HD11 H 1 0.945 0.020 . 1 . . . A 128 ILE HD11 . 19553 1 643 . 1 1 54 54 ILE HD12 H 1 0.945 0.020 . 1 . . . A 128 ILE HD12 . 19553 1 644 . 1 1 54 54 ILE HD13 H 1 0.945 0.020 . 1 . . . A 128 ILE HD13 . 19553 1 645 . 1 1 54 54 ILE C C 13 176.825 0.400 . 1 . . . A 128 ILE C . 19553 1 646 . 1 1 54 54 ILE CA C 13 63.307 0.400 . 1 . . . A 128 ILE CA . 19553 1 647 . 1 1 54 54 ILE CB C 13 37.625 0.400 . 1 . . . A 128 ILE CB . 19553 1 648 . 1 1 54 54 ILE CG1 C 13 28.256 0.400 . 1 . . . A 128 ILE CG1 . 19553 1 649 . 1 1 54 54 ILE CG2 C 13 16.797 0.400 . 1 . . . A 128 ILE CG2 . 19553 1 650 . 1 1 54 54 ILE CD1 C 13 12.893 0.400 . 1 . . . A 128 ILE CD1 . 19553 1 651 . 1 1 54 54 ILE N N 15 125.176 0.400 . 1 . . . A 128 ILE N . 19553 1 652 . 1 1 55 55 GLY H H 1 8.888 0.020 . 1 . . . A 129 GLY H . 19553 1 653 . 1 1 55 55 GLY HA2 H 1 4.376 0.020 . 2 . . . A 129 GLY HA2 . 19553 1 654 . 1 1 55 55 GLY HA3 H 1 3.864 0.020 . 2 . . . A 129 GLY HA3 . 19553 1 655 . 1 1 55 55 GLY C C 13 178.928 0.400 . 1 . . . A 129 GLY C . 19553 1 656 . 1 1 55 55 GLY CA C 13 44.884 0.400 . 1 . . . A 129 GLY CA . 19553 1 657 . 1 1 55 55 GLY N N 15 114.581 0.400 . 1 . . . A 129 GLY N . 19553 1 658 . 1 1 56 56 THR H H 1 8.132 0.020 . 1 . . . A 130 THR H . 19553 1 659 . 1 1 56 56 THR HA H 1 5.294 0.020 . 1 . . . A 130 THR HA . 19553 1 660 . 1 1 56 56 THR HB H 1 3.903 0.020 . 1 . . . A 130 THR HB . 19553 1 661 . 1 1 56 56 THR HG21 H 1 0.884 0.020 . 1 . . . A 130 THR HG21 . 19553 1 662 . 1 1 56 56 THR HG22 H 1 0.884 0.020 . 1 . . . A 130 THR HG22 . 19553 1 663 . 1 1 56 56 THR HG23 H 1 0.884 0.020 . 1 . . . A 130 THR HG23 . 19553 1 664 . 1 1 56 56 THR C C 13 168.400 0.400 . 1 . . . A 130 THR C . 19553 1 665 . 1 1 56 56 THR CA C 13 60.262 0.400 . 1 . . . A 130 THR CA . 19553 1 666 . 1 1 56 56 THR CB C 13 72.701 0.400 . 1 . . . A 130 THR CB . 19553 1 667 . 1 1 56 56 THR CG2 C 13 21.326 0.400 . 1 . . . A 130 THR CG2 . 19553 1 668 . 1 1 56 56 THR N N 15 110.279 0.400 . 1 . . . A 130 THR N . 19553 1 669 . 1 1 57 57 LYS H H 1 9.579 0.020 . 1 . . . A 131 LYS H . 19553 1 670 . 1 1 57 57 LYS HA H 1 4.829 0.020 . 1 . . . A 131 LYS HA . 19553 1 671 . 1 1 57 57 LYS HB2 H 1 1.646 0.020 . 2 . . . A 131 LYS HB2 . 19553 1 672 . 1 1 57 57 LYS HB3 H 1 1.500 0.020 . 2 . . . A 131 LYS HB3 . 19553 1 673 . 1 1 57 57 LYS HG2 H 1 1.210 0.020 . 2 . . . A 131 LYS HG2 . 19553 1 674 . 1 1 57 57 LYS HG3 H 1 1.057 0.020 . 2 . . . A 131 LYS HG3 . 19553 1 675 . 1 1 57 57 LYS HD2 H 1 1.568 0.020 . 2 . . . A 131 LYS HD2 . 19553 1 676 . 1 1 57 57 LYS HD3 H 1 1.568 0.020 . 2 . . . A 131 LYS HD3 . 19553 1 677 . 1 1 57 57 LYS HE2 H 1 3.010 0.020 . 2 . . . A 131 LYS HE2 . 19553 1 678 . 1 1 57 57 LYS HE3 H 1 2.875 0.020 . 2 . . . A 131 LYS HE3 . 19553 1 679 . 1 1 57 57 LYS C C 13 179.939 0.400 . 1 . . . A 131 LYS C . 19553 1 680 . 1 1 57 57 LYS CA C 13 54.053 0.400 . 1 . . . A 131 LYS CA . 19553 1 681 . 1 1 57 57 LYS CB C 13 35.945 0.400 . 1 . . . A 131 LYS CB . 19553 1 682 . 1 1 57 57 LYS CG C 13 23.800 0.400 . 1 . . . A 131 LYS CG . 19553 1 683 . 1 1 57 57 LYS CD C 13 29.463 0.400 . 1 . . . A 131 LYS CD . 19553 1 684 . 1 1 57 57 LYS CE C 13 42.209 0.400 . 1 . . . A 131 LYS CE . 19553 1 685 . 1 1 57 57 LYS N N 15 117.394 0.400 . 1 . . . A 131 LYS N . 19553 1 686 . 1 1 58 58 PHE H H 1 9.347 0.020 . 1 . . . A 132 PHE H . 19553 1 687 . 1 1 58 58 PHE HA H 1 4.393 0.020 . 1 . . . A 132 PHE HA . 19553 1 688 . 1 1 58 58 PHE HB2 H 1 2.864 0.020 . 2 . . . A 132 PHE HB2 . 19553 1 689 . 1 1 58 58 PHE HB3 H 1 3.021 0.020 . 2 . . . A 132 PHE HB3 . 19553 1 690 . 1 1 58 58 PHE HD1 H 1 6.872 0.020 . 1 . . . A 132 PHE HD1 . 19553 1 691 . 1 1 58 58 PHE HD2 H 1 6.872 0.020 . 1 . . . A 132 PHE HD2 . 19553 1 692 . 1 1 58 58 PHE C C 13 178.908 0.400 . 1 . . . A 132 PHE C . 19553 1 693 . 1 1 58 58 PHE CA C 13 59.926 0.400 . 1 . . . A 132 PHE CA . 19553 1 694 . 1 1 58 58 PHE CB C 13 39.295 0.400 . 1 . . . A 132 PHE CB . 19553 1 695 . 1 1 58 58 PHE N N 15 123.518 0.400 . 1 . . . A 132 PHE N . 19553 1 696 . 1 1 59 59 ASP H H 1 8.091 0.020 . 1 . . . A 133 ASP H . 19553 1 697 . 1 1 59 59 ASP HA H 1 4.976 0.020 . 1 . . . A 133 ASP HA . 19553 1 698 . 1 1 59 59 ASP HB2 H 1 2.594 0.020 . 2 . . . A 133 ASP HB2 . 19553 1 699 . 1 1 59 59 ASP HB3 H 1 2.848 0.020 . 2 . . . A 133 ASP HB3 . 19553 1 700 . 1 1 59 59 ASP CA C 13 49.851 0.400 . 1 . . . A 133 ASP CA . 19553 1 701 . 1 1 59 59 ASP CB C 13 43.416 0.400 . 1 . . . A 133 ASP CB . 19553 1 702 . 1 1 59 59 ASP N N 15 130.494 0.400 . 1 . . . A 133 ASP N . 19553 1 703 . 1 1 60 60 PRO HA H 1 4.077 0.020 . 1 . . . A 134 PRO HA . 19553 1 704 . 1 1 60 60 PRO HB2 H 1 2.073 0.020 . 2 . . . A 134 PRO HB2 . 19553 1 705 . 1 1 60 60 PRO HB3 H 1 2.364 0.020 . 2 . . . A 134 PRO HB3 . 19553 1 706 . 1 1 60 60 PRO HG2 H 1 2.037 0.020 . 2 . . . A 134 PRO HG2 . 19553 1 707 . 1 1 60 60 PRO HG3 H 1 2.037 0.020 . 2 . . . A 134 PRO HG3 . 19553 1 708 . 1 1 60 60 PRO HD2 H 1 3.610 0.020 . 2 . . . A 134 PRO HD2 . 19553 1 709 . 1 1 60 60 PRO HD3 H 1 3.610 0.020 . 2 . . . A 134 PRO HD3 . 19553 1 710 . 1 1 60 60 PRO C C 13 176.646 0.400 . 1 . . . A 134 PRO C . 19553 1 711 . 1 1 60 60 PRO CA C 13 63.636 0.400 . 1 . . . A 134 PRO CA . 19553 1 712 . 1 1 60 60 PRO CB C 13 32.800 0.400 . 1 . . . A 134 PRO CB . 19553 1 713 . 1 1 60 60 PRO CG C 13 27.019 0.400 . 1 . . . A 134 PRO CG . 19553 1 714 . 1 1 60 60 PRO CD C 13 49.673 0.400 . 1 . . . A 134 PRO CD . 19553 1 715 . 1 1 61 61 ILE H H 1 7.844 0.020 . 1 . . . A 135 ILE H . 19553 1 716 . 1 1 61 61 ILE HA H 1 3.900 0.020 . 1 . . . A 135 ILE HA . 19553 1 717 . 1 1 61 61 ILE HB H 1 2.255 0.020 . 1 . . . A 135 ILE HB . 19553 1 718 . 1 1 61 61 ILE HG12 H 1 1.538 0.020 . 2 . . . A 135 ILE HG12 . 19553 1 719 . 1 1 61 61 ILE HG13 H 1 1.278 0.020 . 2 . . . A 135 ILE HG13 . 19553 1 720 . 1 1 61 61 ILE HG21 H 1 0.867 0.020 . 1 . . . A 135 ILE HG21 . 19553 1 721 . 1 1 61 61 ILE HG22 H 1 0.867 0.020 . 1 . . . A 135 ILE HG22 . 19553 1 722 . 1 1 61 61 ILE HG23 H 1 0.867 0.020 . 1 . . . A 135 ILE HG23 . 19553 1 723 . 1 1 61 61 ILE HD11 H 1 0.847 0.020 . 1 . . . A 135 ILE HD11 . 19553 1 724 . 1 1 61 61 ILE HD12 H 1 0.847 0.020 . 1 . . . A 135 ILE HD12 . 19553 1 725 . 1 1 61 61 ILE HD13 H 1 0.847 0.020 . 1 . . . A 135 ILE HD13 . 19553 1 726 . 1 1 61 61 ILE C C 13 175.842 0.400 . 1 . . . A 135 ILE C . 19553 1 727 . 1 1 61 61 ILE CA C 13 63.390 0.400 . 1 . . . A 135 ILE CA . 19553 1 728 . 1 1 61 61 ILE CB C 13 35.916 0.400 . 1 . . . A 135 ILE CB . 19553 1 729 . 1 1 61 61 ILE CG1 C 13 27.684 0.400 . 1 . . . A 135 ILE CG1 . 19553 1 730 . 1 1 61 61 ILE CG2 C 13 16.826 0.400 . 1 . . . A 135 ILE CG2 . 19553 1 731 . 1 1 61 61 ILE CD1 C 13 10.966 0.400 . 1 . . . A 135 ILE CD1 . 19553 1 732 . 1 1 61 61 ILE N N 15 118.026 0.400 . 1 . . . A 135 ILE N . 19553 1 733 . 1 1 62 62 SER H H 1 7.779 0.020 . 1 . . . A 136 SER H . 19553 1 734 . 1 1 62 62 SER HA H 1 4.144 0.020 . 1 . . . A 136 SER HA . 19553 1 735 . 1 1 62 62 SER HB2 H 1 3.849 0.020 . 2 . . . A 136 SER HB2 . 19553 1 736 . 1 1 62 62 SER HB3 H 1 3.752 0.020 . 2 . . . A 136 SER HB3 . 19553 1 737 . 1 1 62 62 SER C C 13 178.752 0.400 . 1 . . . A 136 SER C . 19553 1 738 . 1 1 62 62 SER CA C 13 59.461 0.400 . 1 . . . A 136 SER CA . 19553 1 739 . 1 1 62 62 SER CB C 13 63.840 0.400 . 1 . . . A 136 SER CB . 19553 1 740 . 1 1 62 62 SER N N 15 113.845 0.400 . 1 . . . A 136 SER N . 19553 1 741 . 1 1 63 63 ARG H H 1 7.935 0.020 . 1 . . . A 137 ARG H . 19553 1 742 . 1 1 63 63 ARG HA H 1 3.231 0.020 . 1 . . . A 137 ARG HA . 19553 1 743 . 1 1 63 63 ARG HB2 H 1 2.112 0.020 . 2 . . . A 137 ARG HB2 . 19553 1 744 . 1 1 63 63 ARG HB3 H 1 1.875 0.020 . 2 . . . A 137 ARG HB3 . 19553 1 745 . 1 1 63 63 ARG HG2 H 1 1.558 0.020 . 2 . . . A 137 ARG HG2 . 19553 1 746 . 1 1 63 63 ARG HG3 H 1 1.483 0.020 . 2 . . . A 137 ARG HG3 . 19553 1 747 . 1 1 63 63 ARG HD2 H 1 3.301 0.020 . 2 . . . A 137 ARG HD2 . 19553 1 748 . 1 1 63 63 ARG HD3 H 1 3.252 0.020 . 2 . . . A 137 ARG HD3 . 19553 1 749 . 1 1 63 63 ARG HE H 1 7.128 0.020 . 1 . . . A 137 ARG HE . 19553 1 750 . 1 1 63 63 ARG C C 13 180.002 0.400 . 1 . . . A 137 ARG C . 19553 1 751 . 1 1 63 63 ARG CA C 13 57.110 0.400 . 1 . . . A 137 ARG CA . 19553 1 752 . 1 1 63 63 ARG CB C 13 26.203 0.400 . 1 . . . A 137 ARG CB . 19553 1 753 . 1 1 63 63 ARG CG C 13 27.489 0.400 . 1 . . . A 137 ARG CG . 19553 1 754 . 1 1 63 63 ARG CD C 13 44.083 0.400 . 1 . . . A 137 ARG CD . 19553 1 755 . 1 1 63 63 ARG N N 15 116.720 0.400 . 1 . . . A 137 ARG N . 19553 1 756 . 1 1 63 63 ARG NE N 15 85.048 0.400 . 1 . . . A 137 ARG NE . 19553 1 757 . 1 1 64 64 ASN H H 1 6.857 0.020 . 1 . . . A 138 ASN H . 19553 1 758 . 1 1 64 64 ASN HA H 1 4.701 0.020 . 1 . . . A 138 ASN HA . 19553 1 759 . 1 1 64 64 ASN HB2 H 1 2.509 0.020 . 2 . . . A 138 ASN HB2 . 19553 1 760 . 1 1 64 64 ASN HB3 H 1 2.443 0.020 . 2 . . . A 138 ASN HB3 . 19553 1 761 . 1 1 64 64 ASN HD21 H 1 7.159 0.020 . 2 . . . A 138 ASN HD21 . 19553 1 762 . 1 1 64 64 ASN HD22 H 1 6.766 0.020 . 2 . . . A 138 ASN HD22 . 19553 1 763 . 1 1 64 64 ASN C C 13 179.580 0.400 . 1 . . . A 138 ASN C . 19553 1 764 . 1 1 64 64 ASN CA C 13 50.812 0.400 . 1 . . . A 138 ASN CA . 19553 1 765 . 1 1 64 64 ASN CB C 13 41.745 0.400 . 1 . . . A 138 ASN CB . 19553 1 766 . 1 1 64 64 ASN N N 15 113.845 0.400 . 1 . . . A 138 ASN N . 19553 1 767 . 1 1 64 64 ASN ND2 N 15 112.398 0.400 . 1 . . . A 138 ASN ND2 . 19553 1 768 . 1 1 65 65 CYS H H 1 8.519 0.020 . 1 . . . A 139 CYS H . 19553 1 769 . 1 1 65 65 CYS HA H 1 5.220 0.020 . 1 . . . A 139 CYS HA . 19553 1 770 . 1 1 65 65 CYS HB2 H 1 3.149 0.020 . 2 . . . A 139 CYS HB2 . 19553 1 771 . 1 1 65 65 CYS HB3 H 1 3.149 0.020 . 2 . . . A 139 CYS HB3 . 19553 1 772 . 1 1 65 65 CYS C C 13 178.616 0.400 . 1 . . . A 139 CYS C . 19553 1 773 . 1 1 65 65 CYS CA C 13 56.188 0.400 . 1 . . . A 139 CYS CA . 19553 1 774 . 1 1 65 65 CYS CB C 13 40.808 0.400 . 1 . . . A 139 CYS CB . 19553 1 775 . 1 1 65 65 CYS N N 15 120.168 0.400 . 1 . . . A 139 CYS N . 19553 1 776 . 1 1 66 66 VAL H H 1 9.531 0.020 . 1 . . . A 140 VAL H . 19553 1 777 . 1 1 66 66 VAL HA H 1 4.667 0.020 . 1 . . . A 140 VAL HA . 19553 1 778 . 1 1 66 66 VAL HB H 1 2.289 0.020 . 1 . . . A 140 VAL HB . 19553 1 779 . 1 1 66 66 VAL HG11 H 1 0.846 0.020 . 2 . . . A 140 VAL HG11 . 19553 1 780 . 1 1 66 66 VAL HG12 H 1 0.846 0.020 . 2 . . . A 140 VAL HG12 . 19553 1 781 . 1 1 66 66 VAL HG13 H 1 0.846 0.020 . 2 . . . A 140 VAL HG13 . 19553 1 782 . 1 1 66 66 VAL HG21 H 1 0.874 0.020 . 2 . . . A 140 VAL HG21 . 19553 1 783 . 1 1 66 66 VAL HG22 H 1 0.874 0.020 . 2 . . . A 140 VAL HG22 . 19553 1 784 . 1 1 66 66 VAL HG23 H 1 0.874 0.020 . 2 . . . A 140 VAL HG23 . 19553 1 785 . 1 1 66 66 VAL C C 13 178.299 0.400 . 1 . . . A 140 VAL C . 19553 1 786 . 1 1 66 66 VAL CA C 13 59.138 0.400 . 1 . . . A 140 VAL CA . 19553 1 787 . 1 1 66 66 VAL CB C 13 35.402 0.400 . 1 . . . A 140 VAL CB . 19553 1 788 . 1 1 66 66 VAL CG1 C 13 21.213 0.400 . 1 . . . A 140 VAL CG1 . 19553 1 789 . 1 1 66 66 VAL CG2 C 13 21.167 0.400 . 1 . . . A 140 VAL CG2 . 19553 1 790 . 1 1 66 66 VAL N N 15 119.928 0.400 . 1 . . . A 140 VAL N . 19553 1 791 . 1 1 67 67 LEU H H 1 8.363 0.020 . 1 . . . A 141 LEU H . 19553 1 792 . 1 1 67 67 LEU HA H 1 4.009 0.020 . 1 . . . A 141 LEU HA . 19553 1 793 . 1 1 67 67 LEU HB2 H 1 1.636 0.020 . 2 . . . A 141 LEU HB2 . 19553 1 794 . 1 1 67 67 LEU HB3 H 1 1.579 0.020 . 2 . . . A 141 LEU HB3 . 19553 1 795 . 1 1 67 67 LEU HG H 1 1.678 0.020 . 1 . . . A 141 LEU HG . 19553 1 796 . 1 1 67 67 LEU HD11 H 1 0.909 0.020 . 2 . . . A 141 LEU HD11 . 19553 1 797 . 1 1 67 67 LEU HD12 H 1 0.909 0.020 . 2 . . . A 141 LEU HD12 . 19553 1 798 . 1 1 67 67 LEU HD13 H 1 0.909 0.020 . 2 . . . A 141 LEU HD13 . 19553 1 799 . 1 1 67 67 LEU HD21 H 1 0.909 0.020 . 2 . . . A 141 LEU HD21 . 19553 1 800 . 1 1 67 67 LEU HD22 H 1 0.909 0.020 . 2 . . . A 141 LEU HD22 . 19553 1 801 . 1 1 67 67 LEU HD23 H 1 0.909 0.020 . 2 . . . A 141 LEU HD23 . 19553 1 802 . 1 1 67 67 LEU C C 13 176.847 0.400 . 1 . . . A 141 LEU C . 19553 1 803 . 1 1 67 67 LEU CA C 13 56.842 0.400 . 1 . . . A 141 LEU CA . 19553 1 804 . 1 1 67 67 LEU CB C 13 42.202 0.400 . 1 . . . A 141 LEU CB . 19553 1 805 . 1 1 67 67 LEU CG C 13 26.988 0.400 . 1 . . . A 141 LEU CG . 19553 1 806 . 1 1 67 67 LEU CD1 C 13 23.780 0.400 . 1 . . . A 141 LEU CD1 . 19553 1 807 . 1 1 67 67 LEU CD2 C 13 23.780 0.400 . 1 . . . A 141 LEU CD2 . 19553 1 808 . 1 1 67 67 LEU N N 15 121.749 0.400 . 1 . . . A 141 LEU N . 19553 1 809 . 1 1 68 68 ASP H H 1 8.271 0.020 . 1 . . . A 142 ASP H . 19553 1 810 . 1 1 68 68 ASP HA H 1 4.627 0.020 . 1 . . . A 142 ASP HA . 19553 1 811 . 1 1 68 68 ASP HB2 H 1 2.743 0.020 . 2 . . . A 142 ASP HB2 . 19553 1 812 . 1 1 68 68 ASP HB3 H 1 2.155 0.020 . 2 . . . A 142 ASP HB3 . 19553 1 813 . 1 1 68 68 ASP C C 13 179.175 0.400 . 1 . . . A 142 ASP C . 19553 1 814 . 1 1 68 68 ASP CA C 13 53.044 0.400 . 1 . . . A 142 ASP CA . 19553 1 815 . 1 1 68 68 ASP CB C 13 40.741 0.400 . 1 . . . A 142 ASP CB . 19553 1 816 . 1 1 68 68 ASP N N 15 123.416 0.400 . 1 . . . A 142 ASP N . 19553 1 817 . 1 1 69 69 ASN H H 1 7.833 0.020 . 1 . . . A 143 ASN H . 19553 1 818 . 1 1 69 69 ASN HA H 1 4.490 0.020 . 1 . . . A 143 ASN HA . 19553 1 819 . 1 1 69 69 ASN HB2 H 1 2.776 0.020 . 2 . . . A 143 ASN HB2 . 19553 1 820 . 1 1 69 69 ASN HB3 H 1 2.715 0.020 . 2 . . . A 143 ASN HB3 . 19553 1 821 . 1 1 69 69 ASN HD21 H 1 7.490 0.020 . 2 . . . A 143 ASN HD21 . 19553 1 822 . 1 1 69 69 ASN HD22 H 1 6.727 0.020 . 2 . . . A 143 ASN HD22 . 19553 1 823 . 1 1 69 69 ASN CA C 13 54.145 0.400 . 1 . . . A 143 ASN CA . 19553 1 824 . 1 1 69 69 ASN CB C 13 40.304 0.400 . 1 . . . A 143 ASN CB . 19553 1 825 . 1 1 69 69 ASN N N 15 126.108 0.400 . 1 . . . A 143 ASN N . 19553 1 826 . 1 1 69 69 ASN ND2 N 15 111.580 0.400 . 1 . . . A 143 ASN ND2 . 19553 1 stop_ save_