data_25027 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25027 _Entry.Title ; NMR structure of the hypothetical protein BVU_0925 from Bacteroides vulgatus ATCC 8482 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-06-18 _Entry.Accession_date 2014-06-18 _Entry.Last_release_date 2014-09-02 _Entry.Original_release_date 2014-09-02 _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 NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samit Dutta . K. . 25027 2 Pedro Serrano . . . 25027 3 Michael Geralt . . . 25027 4 Kurt Wuthrich . . . 25027 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 25027 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Joint Center for Structural Genomics' . 25027 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'human gut microbiome secreted protein' . 25027 'Protein of unknown function' . 25027 'member of BACON protein family' . 25027 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25027 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 654 25027 '13C chemical shifts' 324 25027 '15N chemical shifts' 107 25027 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 . . 2014-09-02 2014-06-18 original author . 25027 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MQC 'BMRB Entry Tracking System' 25027 BMRB 25026 'NMR structure of putative beta-lactamase (NP_372339.1) from Staphylococcus aureus Mu50' 25027 BMRB 25028 'NMR structure of the hypotheical protein Lreu_0056 from Lactobacillus reuteri' 25027 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25027 _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 'NMR structure of the hypothetical protein BVU_0925 from Bacteroides vulgatus ATCC 8482' _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 Samit Dutta . K. . 25027 1 2 Pedro Serrano . . . 25027 1 3 Michael Geralt . . . 25027 1 4 Kurt Wuthrich . . . 25027 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25027 _Assembly.ID 1 _Assembly.Name 'NMR structure of the hypothetical protein BVU_0925 from Bacteroides vulgatus ATCC 8482' _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 entity 1 $entity A . yes native no no . . . 25027 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25027 _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 ; GHMGSPVSYYFSYADGGTSH TEYPDDSSAGSFILDITSYK KTGNSTKALSWNASGDSWIH VNGSSVSYDENPAKERRTGL VTLKQDESGKTLSLKIVQPG KTSID ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 105 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11296.354 _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 yes UNP A6KYV6_BACV8 . . . . . . . . . . . . . . . . 25027 1 2 no PDB 2MQC . "Nmr Structure Of The Protein Bvu_0925 From Bacteroides Vulgatus Atcc 8482" . . . . . 100.00 105 100.00 100.00 1.87e-68 . . . . 25027 1 3 no EMBL CUN71160 . "Fibrobacter succinogenes major domain (Fib_succ_major) [Bacteroides vulgatus]" . . . . . 97.14 529 100.00 100.00 2.41e-61 . . . . 25027 1 4 no EMBL CUP76619 . "Fibrobacter succinogenes major domain (Fib_succ_major) [Bacteroides vulgatus]" . . . . . 97.14 529 98.04 99.02 6.03e-60 . . . . 25027 1 5 no GB ABR38620 . "conserved hypothetical protein [Bacteroides vulgatus ATCC 8482]" . . . . . 97.14 529 100.00 100.00 1.95e-61 . . . . 25027 1 6 no GB EGX27430 . "hypothetical protein BSFG_04920 [Bacteroides sp. 4_3_47FAA]" . . . . . 97.14 534 98.04 99.02 8.68e-60 . . . . 25027 1 7 no REF WP_008670674 . "hypothetical protein [Bacteroides sp. 4_3_47FAA]" . . . . . 97.14 534 98.04 99.02 8.68e-60 . . . . 25027 1 8 no REF WP_011964947 . "hypothetical protein [Bacteroides vulgatus]" . . . . . 97.14 529 100.00 100.00 1.95e-61 . . . . 25027 1 9 no REF WP_057249593 . "hypothetical protein [Bacteroides vulgatus]" . . . . . 97.14 529 100.00 100.00 2.41e-61 . . . . 25027 1 10 no REF WP_057279461 . "hypothetical protein [Bacteroides vulgatus]" . . . . . 97.14 529 98.04 99.02 6.03e-60 . . . . 25027 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 1 GLY . 25027 1 2 2 HIS . 25027 1 3 3 MET . 25027 1 4 4 GLY . 25027 1 5 5 SER . 25027 1 6 6 PRO . 25027 1 7 7 VAL . 25027 1 8 8 SER . 25027 1 9 9 TYR . 25027 1 10 10 TYR . 25027 1 11 11 PHE . 25027 1 12 12 SER . 25027 1 13 13 TYR . 25027 1 14 14 ALA . 25027 1 15 15 ASP . 25027 1 16 16 GLY . 25027 1 17 17 GLY . 25027 1 18 18 THR . 25027 1 19 19 SER . 25027 1 20 20 HIS . 25027 1 21 21 THR . 25027 1 22 22 GLU . 25027 1 23 23 TYR . 25027 1 24 24 PRO . 25027 1 25 25 ASP . 25027 1 26 26 ASP . 25027 1 27 27 SER . 25027 1 28 28 SER . 25027 1 29 29 ALA . 25027 1 30 30 GLY . 25027 1 31 31 SER . 25027 1 32 32 PHE . 25027 1 33 33 ILE . 25027 1 34 34 LEU . 25027 1 35 35 ASP . 25027 1 36 36 ILE . 25027 1 37 37 THR . 25027 1 38 38 SER . 25027 1 39 39 TYR . 25027 1 40 40 LYS . 25027 1 41 41 LYS . 25027 1 42 42 THR . 25027 1 43 43 GLY . 25027 1 44 44 ASN . 25027 1 45 45 SER . 25027 1 46 46 THR . 25027 1 47 47 LYS . 25027 1 48 48 ALA . 25027 1 49 49 LEU . 25027 1 50 50 SER . 25027 1 51 51 TRP . 25027 1 52 52 ASN . 25027 1 53 53 ALA . 25027 1 54 54 SER . 25027 1 55 55 GLY . 25027 1 56 56 ASP . 25027 1 57 57 SER . 25027 1 58 58 TRP . 25027 1 59 59 ILE . 25027 1 60 60 HIS . 25027 1 61 61 VAL . 25027 1 62 62 ASN . 25027 1 63 63 GLY . 25027 1 64 64 SER . 25027 1 65 65 SER . 25027 1 66 66 VAL . 25027 1 67 67 SER . 25027 1 68 68 TYR . 25027 1 69 69 ASP . 25027 1 70 70 GLU . 25027 1 71 71 ASN . 25027 1 72 72 PRO . 25027 1 73 73 ALA . 25027 1 74 74 LYS . 25027 1 75 75 GLU . 25027 1 76 76 ARG . 25027 1 77 77 ARG . 25027 1 78 78 THR . 25027 1 79 79 GLY . 25027 1 80 80 LEU . 25027 1 81 81 VAL . 25027 1 82 82 THR . 25027 1 83 83 LEU . 25027 1 84 84 LYS . 25027 1 85 85 GLN . 25027 1 86 86 ASP . 25027 1 87 87 GLU . 25027 1 88 88 SER . 25027 1 89 89 GLY . 25027 1 90 90 LYS . 25027 1 91 91 THR . 25027 1 92 92 LEU . 25027 1 93 93 SER . 25027 1 94 94 LEU . 25027 1 95 95 LYS . 25027 1 96 96 ILE . 25027 1 97 97 VAL . 25027 1 98 98 GLN . 25027 1 99 99 PRO . 25027 1 100 100 GLY . 25027 1 101 101 LYS . 25027 1 102 102 THR . 25027 1 103 103 SER . 25027 1 104 104 ILE . 25027 1 105 105 ASP . 25027 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 25027 1 . HIS 2 2 25027 1 . MET 3 3 25027 1 . GLY 4 4 25027 1 . SER 5 5 25027 1 . PRO 6 6 25027 1 . VAL 7 7 25027 1 . SER 8 8 25027 1 . TYR 9 9 25027 1 . TYR 10 10 25027 1 . PHE 11 11 25027 1 . SER 12 12 25027 1 . TYR 13 13 25027 1 . ALA 14 14 25027 1 . ASP 15 15 25027 1 . GLY 16 16 25027 1 . GLY 17 17 25027 1 . THR 18 18 25027 1 . SER 19 19 25027 1 . HIS 20 20 25027 1 . THR 21 21 25027 1 . GLU 22 22 25027 1 . TYR 23 23 25027 1 . PRO 24 24 25027 1 . ASP 25 25 25027 1 . ASP 26 26 25027 1 . SER 27 27 25027 1 . SER 28 28 25027 1 . ALA 29 29 25027 1 . GLY 30 30 25027 1 . SER 31 31 25027 1 . PHE 32 32 25027 1 . ILE 33 33 25027 1 . LEU 34 34 25027 1 . ASP 35 35 25027 1 . ILE 36 36 25027 1 . THR 37 37 25027 1 . SER 38 38 25027 1 . TYR 39 39 25027 1 . LYS 40 40 25027 1 . LYS 41 41 25027 1 . THR 42 42 25027 1 . GLY 43 43 25027 1 . ASN 44 44 25027 1 . SER 45 45 25027 1 . THR 46 46 25027 1 . LYS 47 47 25027 1 . ALA 48 48 25027 1 . LEU 49 49 25027 1 . SER 50 50 25027 1 . TRP 51 51 25027 1 . ASN 52 52 25027 1 . ALA 53 53 25027 1 . SER 54 54 25027 1 . GLY 55 55 25027 1 . ASP 56 56 25027 1 . SER 57 57 25027 1 . TRP 58 58 25027 1 . ILE 59 59 25027 1 . HIS 60 60 25027 1 . VAL 61 61 25027 1 . ASN 62 62 25027 1 . GLY 63 63 25027 1 . SER 64 64 25027 1 . SER 65 65 25027 1 . VAL 66 66 25027 1 . SER 67 67 25027 1 . TYR 68 68 25027 1 . ASP 69 69 25027 1 . GLU 70 70 25027 1 . ASN 71 71 25027 1 . PRO 72 72 25027 1 . ALA 73 73 25027 1 . LYS 74 74 25027 1 . GLU 75 75 25027 1 . ARG 76 76 25027 1 . ARG 77 77 25027 1 . THR 78 78 25027 1 . GLY 79 79 25027 1 . LEU 80 80 25027 1 . VAL 81 81 25027 1 . THR 82 82 25027 1 . LEU 83 83 25027 1 . LYS 84 84 25027 1 . GLN 85 85 25027 1 . ASP 86 86 25027 1 . GLU 87 87 25027 1 . SER 88 88 25027 1 . GLY 89 89 25027 1 . LYS 90 90 25027 1 . THR 91 91 25027 1 . LEU 92 92 25027 1 . SER 93 93 25027 1 . LEU 94 94 25027 1 . LYS 95 95 25027 1 . ILE 96 96 25027 1 . VAL 97 97 25027 1 . GLN 98 98 25027 1 . PRO 99 99 25027 1 . GLY 100 100 25027 1 . LYS 101 101 25027 1 . THR 102 102 25027 1 . SER 103 103 25027 1 . ILE 104 104 25027 1 . ASP 105 105 25027 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 25027 _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 . 435590 organism . 'Bacteroides vulgatus' 'CFB group bacteria' . . Bacteria . Bacteroides vulgatus 'ATCC 8482' . . . . . . . . . . . . . . . . . . . . 25027 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 25027 _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 . . . . . . . . . . . . . . . SpeedET . . . . . . 25027 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25027 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25027 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25027 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25027 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25027 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25027 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25027 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25027 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 308 . K 25027 1 pH 6.0 . pH 25027 1 pressure 1 . atm 25027 1 'ionic strength' 0.0798 . M 25027 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25027 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 25027 1 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 25027 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25027 1 'geometry optimization' 25027 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25027 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25027 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25027 2 processing 25027 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25027 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25027 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 25027 3 'chemical shift assignment' 25027 3 stop_ save_ save_j-UNIO _Software.Sf_category software _Software.Sf_framecode j-UNIO _Software.Entry_ID 25027 _Software.ID 4 _Software.Name j-UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 25027 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 25027 4 'chemical shift assignment' 25027 4 'structure solution' 25027 4 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 25027 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25027 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25027 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25027 1 2 spectrometer_2 Bruker Avance . 800 . . . 25027 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 25027 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25027 1 2 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25027 1 3 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25027 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25027 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25027 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25027 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 25027 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 25027 _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 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25027 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25027 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25027 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25027 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.129 _Assigned_chem_shift_list.Chem_shift_15N_err 0.160 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'APSY 4D-HACANH' . . . 25027 1 2 'APSY 5D-HACACONH' . . . 25027 1 3 'APSY 5D-CBCACONH' . . . 25027 1 5 '3D 1H-15N NOESY' . . . 25027 1 6 '3D 1H-13C NOESY aliphatic' . . . 25027 1 7 '3D 1H-13C NOESY aromatic' . . . 25027 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 HIS HA H 1 4.619 0.006 . 1 . . . A 2 HIS HA . 25027 1 2 . 1 1 2 2 HIS HB2 H 1 3.087 0.006 . 2 . . . A 2 HIS HB2 . 25027 1 3 . 1 1 2 2 HIS HB3 H 1 3.057 0.006 . 2 . . . A 2 HIS HB3 . 25027 1 4 . 1 1 2 2 HIS CA C 13 53.471 0.129 . 1 . . . A 2 HIS CA . 25027 1 5 . 1 1 2 2 HIS CB C 13 27.974 0.129 . 1 . . . A 2 HIS CB . 25027 1 6 . 1 1 3 3 MET HA H 1 4.413 0.006 . 1 . . . A 3 MET HA . 25027 1 7 . 1 1 3 3 MET HB2 H 1 1.875 0.006 . 2 . . . A 3 MET HB2 . 25027 1 8 . 1 1 3 3 MET HB3 H 1 2.011 0.006 . 2 . . . A 3 MET HB3 . 25027 1 9 . 1 1 3 3 MET HE1 H 1 2.012 0.006 . 1 . . . A 3 MET QE . 25027 1 10 . 1 1 3 3 MET HE2 H 1 2.012 0.006 . 1 . . . A 3 MET QE . 25027 1 11 . 1 1 3 3 MET HE3 H 1 2.012 0.006 . 1 . . . A 3 MET QE . 25027 1 12 . 1 1 3 3 MET CA C 13 52.771 0.129 . 1 . . . A 3 MET CA . 25027 1 13 . 1 1 3 3 MET CB C 13 29.974 0.129 . 1 . . . A 3 MET CB . 25027 1 14 . 1 1 3 3 MET CE C 13 14.371 0.129 . 1 . . . A 3 MET CE . 25027 1 15 . 1 1 4 4 GLY H H 1 8.373 0.006 . 1 . . . A 4 GLY H . 25027 1 16 . 1 1 4 4 GLY HA2 H 1 3.900 0.006 . 1 . . . A 4 GLY QA . 25027 1 17 . 1 1 4 4 GLY HA3 H 1 3.900 0.006 . 1 . . . A 4 GLY QA . 25027 1 18 . 1 1 4 4 GLY CA C 13 42.564 0.129 . 1 . . . A 4 GLY CA . 25027 1 19 . 1 1 4 4 GLY N N 15 110.417 0.160 . 1 . . . A 4 GLY N . 25027 1 20 . 1 1 5 5 SER H H 1 8.174 0.006 . 1 . . . A 5 SER H . 25027 1 21 . 1 1 5 5 SER HA H 1 4.693 0.006 . 1 . . . A 5 SER HA . 25027 1 22 . 1 1 5 5 SER HB2 H 1 3.706 0.006 . 1 . . . A 5 SER QB . 25027 1 23 . 1 1 5 5 SER HB3 H 1 3.706 0.006 . 1 . . . A 5 SER QB . 25027 1 24 . 1 1 5 5 SER CA C 13 53.789 0.129 . 1 . . . A 5 SER CA . 25027 1 25 . 1 1 5 5 SER CB C 13 60.988 0.129 . 1 . . . A 5 SER CB . 25027 1 26 . 1 1 5 5 SER N N 15 117.002 0.160 . 1 . . . A 5 SER N . 25027 1 27 . 1 1 6 6 PRO HA H 1 4.411 0.006 . 1 . . . A 6 PRO HA . 25027 1 28 . 1 1 6 6 PRO HB2 H 1 1.877 0.006 . 2 . . . A 6 PRO HB2 . 25027 1 29 . 1 1 6 6 PRO HB3 H 1 2.194 0.006 . 2 . . . A 6 PRO HB3 . 25027 1 30 . 1 1 6 6 PRO HG2 H 1 1.954 0.006 . 1 . . . A 6 PRO QG . 25027 1 31 . 1 1 6 6 PRO HG3 H 1 1.954 0.006 . 1 . . . A 6 PRO QG . 25027 1 32 . 1 1 6 6 PRO HD2 H 1 3.755 0.006 . 2 . . . A 6 PRO HD2 . 25027 1 33 . 1 1 6 6 PRO HD3 H 1 3.654 0.006 . 2 . . . A 6 PRO HD3 . 25027 1 34 . 1 1 6 6 PRO CA C 13 60.732 0.129 . 1 . . . A 6 PRO CA . 25027 1 35 . 1 1 6 6 PRO CB C 13 29.626 0.129 . 1 . . . A 6 PRO CB . 25027 1 36 . 1 1 6 6 PRO CG C 13 24.902 0.129 . 1 . . . A 6 PRO CG . 25027 1 37 . 1 1 6 6 PRO CD C 13 48.180 0.129 . 1 . . . A 6 PRO CD . 25027 1 38 . 1 1 7 7 VAL H H 1 8.084 0.006 . 1 . . . A 7 VAL H . 25027 1 39 . 1 1 7 7 VAL HA H 1 4.503 0.006 . 1 . . . A 7 VAL HA . 25027 1 40 . 1 1 7 7 VAL HB H 1 1.712 0.006 . 1 . . . A 7 VAL HB . 25027 1 41 . 1 1 7 7 VAL HG11 H 1 0.428 0.006 . 2 . . . A 7 VAL QG1 . 25027 1 42 . 1 1 7 7 VAL HG12 H 1 0.428 0.006 . 2 . . . A 7 VAL QG1 . 25027 1 43 . 1 1 7 7 VAL HG13 H 1 0.428 0.006 . 2 . . . A 7 VAL QG1 . 25027 1 44 . 1 1 7 7 VAL HG21 H 1 0.740 0.006 . 2 . . . A 7 VAL QG2 . 25027 1 45 . 1 1 7 7 VAL HG22 H 1 0.740 0.006 . 2 . . . A 7 VAL QG2 . 25027 1 46 . 1 1 7 7 VAL HG23 H 1 0.740 0.006 . 2 . . . A 7 VAL QG2 . 25027 1 47 . 1 1 7 7 VAL CA C 13 58.652 0.129 . 1 . . . A 7 VAL CA . 25027 1 48 . 1 1 7 7 VAL CB C 13 31.323 0.129 . 1 . . . A 7 VAL CB . 25027 1 49 . 1 1 7 7 VAL CG1 C 13 18.763 0.129 . 2 . . . A 7 VAL CG1 . 25027 1 50 . 1 1 7 7 VAL CG2 C 13 19.140 0.129 . 2 . . . A 7 VAL CG2 . 25027 1 51 . 1 1 7 7 VAL N N 15 122.064 0.160 . 1 . . . A 7 VAL N . 25027 1 52 . 1 1 8 8 SER H H 1 8.396 0.006 . 1 . . . A 8 SER H . 25027 1 53 . 1 1 8 8 SER HA H 1 4.589 0.006 . 1 . . . A 8 SER HA . 25027 1 54 . 1 1 8 8 SER HB2 H 1 3.646 0.006 . 2 . . . A 8 SER HB2 . 25027 1 55 . 1 1 8 8 SER HB3 H 1 3.603 0.006 . 2 . . . A 8 SER HB3 . 25027 1 56 . 1 1 8 8 SER CA C 13 54.325 0.129 . 1 . . . A 8 SER CA . 25027 1 57 . 1 1 8 8 SER CB C 13 63.086 0.129 . 1 . . . A 8 SER CB . 25027 1 58 . 1 1 8 8 SER N N 15 120.861 0.160 . 1 . . . A 8 SER N . 25027 1 59 . 1 1 9 9 TYR H H 1 8.500 0.006 . 1 . . . A 9 TYR H . 25027 1 60 . 1 1 9 9 TYR HA H 1 4.724 0.006 . 1 . . . A 9 TYR HA . 25027 1 61 . 1 1 9 9 TYR HB2 H 1 2.407 0.006 . 2 . . . A 9 TYR HB2 . 25027 1 62 . 1 1 9 9 TYR HB3 H 1 2.935 0.006 . 2 . . . A 9 TYR HB3 . 25027 1 63 . 1 1 9 9 TYR HD1 H 1 6.833 0.006 . 1 . . . A 9 TYR QD . 25027 1 64 . 1 1 9 9 TYR HD2 H 1 6.833 0.006 . 1 . . . A 9 TYR QD . 25027 1 65 . 1 1 9 9 TYR HE1 H 1 6.561 0.006 . 1 . . . A 9 TYR QE . 25027 1 66 . 1 1 9 9 TYR HE2 H 1 6.561 0.006 . 1 . . . A 9 TYR QE . 25027 1 67 . 1 1 9 9 TYR CA C 13 55.286 0.129 . 1 . . . A 9 TYR CA . 25027 1 68 . 1 1 9 9 TYR CB C 13 38.950 0.129 . 1 . . . A 9 TYR CB . 25027 1 69 . 1 1 9 9 TYR CD1 C 13 130.647 0.129 . 3 . . . A 9 TYR CD1 . 25027 1 70 . 1 1 9 9 TYR CD2 C 13 130.650 0.129 . 3 . . . A 9 TYR CD2 . 25027 1 71 . 1 1 9 9 TYR CE1 C 13 115.012 0.129 . 3 . . . A 9 TYR CE1 . 25027 1 72 . 1 1 9 9 TYR CE2 C 13 115.011 0.129 . 3 . . . A 9 TYR CE2 . 25027 1 73 . 1 1 9 9 TYR N N 15 120.699 0.160 . 1 . . . A 9 TYR N . 25027 1 74 . 1 1 10 10 TYR H H 1 8.803 0.006 . 1 . . . A 10 TYR H . 25027 1 75 . 1 1 10 10 TYR HA H 1 4.280 0.006 . 1 . . . A 10 TYR HA . 25027 1 76 . 1 1 10 10 TYR HB2 H 1 2.261 0.006 . 2 . . . A 10 TYR HB2 . 25027 1 77 . 1 1 10 10 TYR HB3 H 1 1.703 0.006 . 2 . . . A 10 TYR HB3 . 25027 1 78 . 1 1 10 10 TYR HD1 H 1 6.523 0.006 . 1 . . . A 10 TYR QD . 25027 1 79 . 1 1 10 10 TYR HD2 H 1 6.523 0.006 . 1 . . . A 10 TYR QD . 25027 1 80 . 1 1 10 10 TYR HE1 H 1 6.525 0.006 . 1 . . . A 10 TYR QE . 25027 1 81 . 1 1 10 10 TYR HE2 H 1 6.525 0.006 . 1 . . . A 10 TYR QE . 25027 1 82 . 1 1 10 10 TYR CA C 13 54.674 0.129 . 1 . . . A 10 TYR CA . 25027 1 83 . 1 1 10 10 TYR CB C 13 37.307 0.129 . 1 . . . A 10 TYR CB . 25027 1 84 . 1 1 10 10 TYR CD1 C 13 130.830 0.129 . 3 . . . A 10 TYR CD1 . 25027 1 85 . 1 1 10 10 TYR CD2 C 13 130.830 0.129 . 3 . . . A 10 TYR CD2 . 25027 1 86 . 1 1 10 10 TYR CE1 C 13 114.606 0.129 . 3 . . . A 10 TYR CE1 . 25027 1 87 . 1 1 10 10 TYR CE2 C 13 114.610 0.129 . 3 . . . A 10 TYR CE2 . 25027 1 88 . 1 1 10 10 TYR N N 15 122.060 0.160 . 1 . . . A 10 TYR N . 25027 1 89 . 1 1 11 11 PHE H H 1 8.704 0.006 . 1 . . . A 11 PHE H . 25027 1 90 . 1 1 11 11 PHE HA H 1 5.724 0.006 . 1 . . . A 11 PHE HA . 25027 1 91 . 1 1 11 11 PHE HB2 H 1 2.569 0.006 . 2 . . . A 11 PHE HB2 . 25027 1 92 . 1 1 11 11 PHE HB3 H 1 2.767 0.006 . 2 . . . A 11 PHE HB3 . 25027 1 93 . 1 1 11 11 PHE CA C 13 52.497 0.129 . 1 . . . A 11 PHE CA . 25027 1 94 . 1 1 11 11 PHE CB C 13 38.019 0.129 . 1 . . . A 11 PHE CB . 25027 1 95 . 1 1 11 11 PHE N N 15 127.349 0.160 . 1 . . . A 11 PHE N . 25027 1 96 . 1 1 12 12 SER H H 1 8.678 0.006 . 1 . . . A 12 SER H . 25027 1 97 . 1 1 12 12 SER HA H 1 4.286 0.006 . 1 . . . A 12 SER HA . 25027 1 98 . 1 1 12 12 SER HB2 H 1 3.780 0.006 . 2 . . . A 12 SER HB2 . 25027 1 99 . 1 1 12 12 SER HB3 H 1 3.574 0.006 . 2 . . . A 12 SER HB3 . 25027 1 100 . 1 1 12 12 SER CA C 13 55.603 0.129 . 1 . . . A 12 SER CA . 25027 1 101 . 1 1 12 12 SER CB C 13 63.438 0.129 . 1 . . . A 12 SER CB . 25027 1 102 . 1 1 12 12 SER N N 15 120.175 0.160 . 1 . . . A 12 SER N . 25027 1 103 . 1 1 13 13 TYR H H 1 8.184 0.006 . 1 . . . A 13 TYR H . 25027 1 104 . 1 1 13 13 TYR HA H 1 4.599 0.006 . 1 . . . A 13 TYR HA . 25027 1 105 . 1 1 13 13 TYR HB2 H 1 3.248 0.006 . 2 . . . A 13 TYR HB2 . 25027 1 106 . 1 1 13 13 TYR HB3 H 1 2.650 0.006 . 2 . . . A 13 TYR HB3 . 25027 1 107 . 1 1 13 13 TYR HD1 H 1 6.704 0.006 . 1 . . . A 13 TYR QD . 25027 1 108 . 1 1 13 13 TYR HD2 H 1 6.704 0.006 . 1 . . . A 13 TYR QD . 25027 1 109 . 1 1 13 13 TYR HE1 H 1 6.212 0.006 . 1 . . . A 13 TYR QE . 25027 1 110 . 1 1 13 13 TYR HE2 H 1 6.212 0.006 . 1 . . . A 13 TYR QE . 25027 1 111 . 1 1 13 13 TYR CA C 13 57.774 0.129 . 1 . . . A 13 TYR CA . 25027 1 112 . 1 1 13 13 TYR CB C 13 36.009 0.129 . 1 . . . A 13 TYR CB . 25027 1 113 . 1 1 13 13 TYR CD1 C 13 129.916 0.129 . 3 . . . A 13 TYR CD1 . 25027 1 114 . 1 1 13 13 TYR CD2 C 13 129.920 0.129 . 3 . . . A 13 TYR CD2 . 25027 1 115 . 1 1 13 13 TYR CE1 C 13 114.808 0.129 . 3 . . . A 13 TYR CE1 . 25027 1 116 . 1 1 13 13 TYR CE2 C 13 114.810 0.129 . 3 . . . A 13 TYR CE2 . 25027 1 117 . 1 1 13 13 TYR N N 15 117.874 0.160 . 1 . . . A 13 TYR N . 25027 1 118 . 1 1 14 14 ALA H H 1 8.637 0.006 . 1 . . . A 14 ALA H . 25027 1 119 . 1 1 14 14 ALA HA H 1 3.984 0.006 . 1 . . . A 14 ALA HA . 25027 1 120 . 1 1 14 14 ALA HB1 H 1 1.296 0.006 . 1 . . . A 14 ALA QB . 25027 1 121 . 1 1 14 14 ALA HB2 H 1 1.296 0.006 . 1 . . . A 14 ALA QB . 25027 1 122 . 1 1 14 14 ALA HB3 H 1 1.296 0.006 . 1 . . . A 14 ALA QB . 25027 1 123 . 1 1 14 14 ALA CA C 13 52.812 0.129 . 1 . . . A 14 ALA CA . 25027 1 124 . 1 1 14 14 ALA CB C 13 15.902 0.129 . 1 . . . A 14 ALA CB . 25027 1 125 . 1 1 14 14 ALA N N 15 126.733 0.160 . 1 . . . A 14 ALA N . 25027 1 126 . 1 1 15 15 ASP H H 1 7.862 0.006 . 1 . . . A 15 ASP H . 25027 1 127 . 1 1 15 15 ASP HA H 1 4.423 0.006 . 1 . . . A 15 ASP HA . 25027 1 128 . 1 1 15 15 ASP HB2 H 1 3.006 0.006 . 2 . . . A 15 ASP HB2 . 25027 1 129 . 1 1 15 15 ASP HB3 H 1 2.592 0.006 . 2 . . . A 15 ASP HB3 . 25027 1 130 . 1 1 15 15 ASP CA C 13 51.104 0.129 . 1 . . . A 15 ASP CA . 25027 1 131 . 1 1 15 15 ASP CB C 13 37.462 0.129 . 1 . . . A 15 ASP CB . 25027 1 132 . 1 1 15 15 ASP N N 15 114.163 0.160 . 1 . . . A 15 ASP N . 25027 1 133 . 1 1 16 16 GLY H H 1 8.252 0.006 . 1 . . . A 16 GLY H . 25027 1 134 . 1 1 16 16 GLY HA2 H 1 3.632 0.006 . 2 . . . A 16 GLY HA2 . 25027 1 135 . 1 1 16 16 GLY HA3 H 1 4.385 0.006 . 2 . . . A 16 GLY HA3 . 25027 1 136 . 1 1 16 16 GLY CA C 13 42.505 0.129 . 1 . . . A 16 GLY CA . 25027 1 137 . 1 1 16 16 GLY N N 15 108.719 0.160 . 1 . . . A 16 GLY N . 25027 1 138 . 1 1 17 17 GLY H H 1 8.425 0.006 . 1 . . . A 17 GLY H . 25027 1 139 . 1 1 17 17 GLY HA2 H 1 4.445 0.006 . 2 . . . A 17 GLY HA2 . 25027 1 140 . 1 1 17 17 GLY HA3 H 1 4.117 0.006 . 2 . . . A 17 GLY HA3 . 25027 1 141 . 1 1 17 17 GLY CA C 13 42.311 0.129 . 1 . . . A 17 GLY CA . 25027 1 142 . 1 1 17 17 GLY N N 15 108.995 0.160 . 1 . . . A 17 GLY N . 25027 1 143 . 1 1 18 18 THR H H 1 8.502 0.006 . 1 . . . A 18 THR H . 25027 1 144 . 1 1 18 18 THR HA H 1 4.797 0.006 . 1 . . . A 18 THR HA . 25027 1 145 . 1 1 18 18 THR HG21 H 1 1.183 0.006 . 1 . . . A 18 THR QG2 . 25027 1 146 . 1 1 18 18 THR HG22 H 1 1.183 0.006 . 1 . . . A 18 THR QG2 . 25027 1 147 . 1 1 18 18 THR HG23 H 1 1.183 0.006 . 1 . . . A 18 THR QG2 . 25027 1 148 . 1 1 18 18 THR CA C 13 58.205 0.129 . 1 . . . A 18 THR CA . 25027 1 149 . 1 1 18 18 THR CG2 C 13 19.123 0.129 . 1 . . . A 18 THR CG2 . 25027 1 150 . 1 1 18 18 THR N N 15 105.027 0.160 . 1 . . . A 18 THR N . 25027 1 151 . 1 1 19 19 SER H H 1 7.815 0.006 . 1 . . . A 19 SER H . 25027 1 152 . 1 1 19 19 SER HA H 1 5.473 0.006 . 1 . . . A 19 SER HA . 25027 1 153 . 1 1 19 19 SER HB2 H 1 3.677 0.006 . 2 . . . A 19 SER HB2 . 25027 1 154 . 1 1 19 19 SER HB3 H 1 3.626 0.006 . 2 . . . A 19 SER HB3 . 25027 1 155 . 1 1 19 19 SER CA C 13 54.484 0.129 . 1 . . . A 19 SER CA . 25027 1 156 . 1 1 19 19 SER CB C 13 62.961 0.129 . 1 . . . A 19 SER CB . 25027 1 157 . 1 1 19 19 SER N N 15 116.137 0.160 . 1 . . . A 19 SER N . 25027 1 158 . 1 1 20 20 HIS H H 1 7.566 0.006 . 1 . . . A 20 HIS H . 25027 1 159 . 1 1 20 20 HIS HA H 1 4.441 0.006 . 1 . . . A 20 HIS HA . 25027 1 160 . 1 1 20 20 HIS HB2 H 1 2.369 0.006 . 2 . . . A 20 HIS HB2 . 25027 1 161 . 1 1 20 20 HIS HB3 H 1 1.621 0.006 . 2 . . . A 20 HIS HB3 . 25027 1 162 . 1 1 20 20 HIS CA C 13 52.740 0.129 . 1 . . . A 20 HIS CA . 25027 1 163 . 1 1 20 20 HIS CB C 13 27.794 0.129 . 1 . . . A 20 HIS CB . 25027 1 164 . 1 1 20 20 HIS N N 15 122.292 0.160 . 1 . . . A 20 HIS N . 25027 1 165 . 1 1 21 21 THR H H 1 7.925 0.006 . 1 . . . A 21 THR H . 25027 1 166 . 1 1 21 21 THR HA H 1 5.045 0.006 . 1 . . . A 21 THR HA . 25027 1 167 . 1 1 21 21 THR HB H 1 3.417 0.006 . 1 . . . A 21 THR HB . 25027 1 168 . 1 1 21 21 THR HG21 H 1 0.264 0.006 . 1 . . . A 21 THR QG2 . 25027 1 169 . 1 1 21 21 THR HG22 H 1 0.264 0.006 . 1 . . . A 21 THR QG2 . 25027 1 170 . 1 1 21 21 THR HG23 H 1 0.264 0.006 . 1 . . . A 21 THR QG2 . 25027 1 171 . 1 1 21 21 THR CA C 13 58.048 0.129 . 1 . . . A 21 THR CA . 25027 1 172 . 1 1 21 21 THR CB C 13 67.599 0.129 . 1 . . . A 21 THR CB . 25027 1 173 . 1 1 21 21 THR CG2 C 13 19.272 0.129 . 1 . . . A 21 THR CG2 . 25027 1 174 . 1 1 21 21 THR N N 15 124.831 0.160 . 1 . . . A 21 THR N . 25027 1 175 . 1 1 22 22 GLU H H 1 8.381 0.006 . 1 . . . A 22 GLU H . 25027 1 176 . 1 1 22 22 GLU HA H 1 4.004 0.006 . 1 . . . A 22 GLU HA . 25027 1 177 . 1 1 22 22 GLU HB2 H 1 1.490 0.006 . 1 . . . A 22 GLU QB . 25027 1 178 . 1 1 22 22 GLU HB3 H 1 1.490 0.006 . 1 . . . A 22 GLU QB . 25027 1 179 . 1 1 22 22 GLU HG2 H 1 0.978 0.006 . 2 . . . A 22 GLU HG2 . 25027 1 180 . 1 1 22 22 GLU HG3 H 1 1.018 0.006 . 2 . . . A 22 GLU HG3 . 25027 1 181 . 1 1 22 22 GLU CA C 13 51.442 0.129 . 1 . . . A 22 GLU CA . 25027 1 182 . 1 1 22 22 GLU CB C 13 30.798 0.129 . 1 . . . A 22 GLU CB . 25027 1 183 . 1 1 22 22 GLU CG C 13 31.099 0.129 . 1 . . . A 22 GLU CG . 25027 1 184 . 1 1 22 22 GLU N N 15 125.496 0.160 . 1 . . . A 22 GLU N . 25027 1 185 . 1 1 23 23 TYR H H 1 8.554 0.006 . 1 . . . A 23 TYR H . 25027 1 186 . 1 1 23 23 TYR HA H 1 4.969 0.006 . 1 . . . A 23 TYR HA . 25027 1 187 . 1 1 23 23 TYR HB2 H 1 2.670 0.006 . 2 . . . A 23 TYR HB2 . 25027 1 188 . 1 1 23 23 TYR HB3 H 1 2.889 0.006 . 2 . . . A 23 TYR HB3 . 25027 1 189 . 1 1 23 23 TYR HD1 H 1 6.899 0.006 . 1 . . . A 23 TYR QD . 25027 1 190 . 1 1 23 23 TYR HD2 H 1 6.899 0.006 . 1 . . . A 23 TYR QD . 25027 1 191 . 1 1 23 23 TYR HE1 H 1 6.474 0.006 . 1 . . . A 23 TYR QE . 25027 1 192 . 1 1 23 23 TYR HE2 H 1 6.474 0.006 . 1 . . . A 23 TYR QE . 25027 1 193 . 1 1 23 23 TYR CA C 13 52.078 0.129 . 1 . . . A 23 TYR CA . 25027 1 194 . 1 1 23 23 TYR CB C 13 35.966 0.129 . 1 . . . A 23 TYR CB . 25027 1 195 . 1 1 23 23 TYR CD1 C 13 130.820 0.129 . 3 . . . A 23 TYR CD1 . 25027 1 196 . 1 1 23 23 TYR CD2 C 13 130.820 0.129 . 3 . . . A 23 TYR CD2 . 25027 1 197 . 1 1 23 23 TYR CE1 C 13 114.890 0.129 . 3 . . . A 23 TYR CE1 . 25027 1 198 . 1 1 23 23 TYR CE2 C 13 114.889 0.129 . 3 . . . A 23 TYR CE2 . 25027 1 199 . 1 1 23 23 TYR N N 15 121.046 0.160 . 1 . . . A 23 TYR N . 25027 1 200 . 1 1 24 24 PRO HA H 1 4.425 0.006 . 1 . . . A 24 PRO HA . 25027 1 201 . 1 1 24 24 PRO HB2 H 1 2.763 0.006 . 2 . . . A 24 PRO HB2 . 25027 1 202 . 1 1 24 24 PRO HG2 H 1 1.456 0.006 . 2 . . . A 24 PRO HG2 . 25027 1 203 . 1 1 24 24 PRO HG3 H 1 1.514 0.006 . 2 . . . A 24 PRO HG3 . 25027 1 204 . 1 1 24 24 PRO HD2 H 1 3.898 0.006 . 2 . . . A 24 PRO HD2 . 25027 1 205 . 1 1 24 24 PRO HD3 H 1 2.968 0.006 . 2 . . . A 24 PRO HD3 . 25027 1 206 . 1 1 24 24 PRO CA C 13 60.491 0.129 . 1 . . . A 24 PRO CA . 25027 1 207 . 1 1 24 24 PRO CB C 13 30.671 0.129 . 1 . . . A 24 PRO CB . 25027 1 208 . 1 1 24 24 PRO CG C 13 25.266 0.129 . 1 . . . A 24 PRO CG . 25027 1 209 . 1 1 24 24 PRO CD C 13 47.209 0.129 . 1 . . . A 24 PRO CD . 25027 1 210 . 1 1 25 25 ASP H H 1 7.835 0.006 . 1 . . . A 25 ASP H . 25027 1 211 . 1 1 25 25 ASP HA H 1 4.590 0.006 . 1 . . . A 25 ASP HA . 25027 1 212 . 1 1 25 25 ASP HB2 H 1 3.020 0.006 . 2 . . . A 25 ASP HB2 . 25027 1 213 . 1 1 25 25 ASP HB3 H 1 2.770 0.006 . 2 . . . A 25 ASP HB3 . 25027 1 214 . 1 1 25 25 ASP CA C 13 50.501 0.129 . 1 . . . A 25 ASP CA . 25027 1 215 . 1 1 25 25 ASP CB C 13 40.167 0.129 . 1 . . . A 25 ASP CB . 25027 1 216 . 1 1 25 25 ASP N N 15 110.595 0.160 . 1 . . . A 25 ASP N . 25027 1 217 . 1 1 26 26 ASP H H 1 7.761 0.006 . 1 . . . A 26 ASP H . 25027 1 218 . 1 1 26 26 ASP HB2 H 1 2.062 0.006 . 2 . . . A 26 ASP HB2 . 25027 1 219 . 1 1 26 26 ASP HB3 H 1 2.765 0.006 . 2 . . . A 26 ASP HB3 . 25027 1 220 . 1 1 26 26 ASP CB C 13 30.663 0.129 . 1 . . . A 26 ASP CB . 25027 1 221 . 1 1 26 26 ASP N N 15 115.508 0.160 . 1 . . . A 26 ASP N . 25027 1 222 . 1 1 27 27 SER H H 1 8.596 0.006 . 1 . . . A 27 SER H . 25027 1 223 . 1 1 27 27 SER HA H 1 4.402 0.006 . 1 . . . A 27 SER HA . 25027 1 224 . 1 1 27 27 SER HB2 H 1 4.426 0.006 . 1 . . . A 27 SER QB . 25027 1 225 . 1 1 27 27 SER HB3 H 1 4.426 0.006 . 1 . . . A 27 SER QB . 25027 1 226 . 1 1 27 27 SER CA C 13 53.842 0.129 . 1 . . . A 27 SER CA . 25027 1 227 . 1 1 27 27 SER CB C 13 60.559 0.129 . 1 . . . A 27 SER CB . 25027 1 228 . 1 1 27 27 SER N N 15 119.304 0.160 . 1 . . . A 27 SER N . 25027 1 229 . 1 1 28 28 SER H H 1 8.219 0.006 . 1 . . . A 28 SER H . 25027 1 230 . 1 1 28 28 SER HA H 1 4.189 0.006 . 1 . . . A 28 SER HA . 25027 1 231 . 1 1 28 28 SER HB2 H 1 3.946 0.006 . 2 . . . A 28 SER HB2 . 25027 1 232 . 1 1 28 28 SER HB3 H 1 3.977 0.006 . 2 . . . A 28 SER HB3 . 25027 1 233 . 1 1 28 28 SER CA C 13 56.773 0.129 . 1 . . . A 28 SER CA . 25027 1 234 . 1 1 28 28 SER CB C 13 61.509 0.129 . 1 . . . A 28 SER CB . 25027 1 235 . 1 1 28 28 SER N N 15 118.465 0.160 . 1 . . . A 28 SER N . 25027 1 236 . 1 1 29 29 ALA H H 1 8.422 0.006 . 1 . . . A 29 ALA H . 25027 1 237 . 1 1 29 29 ALA HA H 1 4.010 0.006 . 1 . . . A 29 ALA HA . 25027 1 238 . 1 1 29 29 ALA HB1 H 1 1.444 0.006 . 1 . . . A 29 ALA QB . 25027 1 239 . 1 1 29 29 ALA HB2 H 1 1.444 0.006 . 1 . . . A 29 ALA QB . 25027 1 240 . 1 1 29 29 ALA HB3 H 1 1.444 0.006 . 1 . . . A 29 ALA QB . 25027 1 241 . 1 1 29 29 ALA CA C 13 50.150 0.129 . 1 . . . A 29 ALA CA . 25027 1 242 . 1 1 29 29 ALA CB C 13 17.008 0.129 . 1 . . . A 29 ALA CB . 25027 1 243 . 1 1 29 29 ALA N N 15 123.306 0.160 . 1 . . . A 29 ALA N . 25027 1 244 . 1 1 30 30 GLY H H 1 6.848 0.006 . 1 . . . A 30 GLY H . 25027 1 245 . 1 1 30 30 GLY HA2 H 1 3.688 0.006 . 2 . . . A 30 GLY HA2 . 25027 1 246 . 1 1 30 30 GLY HA3 H 1 4.194 0.006 . 2 . . . A 30 GLY HA3 . 25027 1 247 . 1 1 30 30 GLY CA C 13 42.853 0.129 . 1 . . . A 30 GLY CA . 25027 1 248 . 1 1 30 30 GLY N N 15 108.012 0.160 . 1 . . . A 30 GLY N . 25027 1 249 . 1 1 31 31 SER H H 1 8.285 0.006 . 1 . . . A 31 SER H . 25027 1 250 . 1 1 31 31 SER HA H 1 5.377 0.006 . 1 . . . A 31 SER HA . 25027 1 251 . 1 1 31 31 SER HB2 H 1 3.739 0.006 . 2 . . . A 31 SER HB2 . 25027 1 252 . 1 1 31 31 SER HB3 H 1 3.775 0.006 . 2 . . . A 31 SER HB3 . 25027 1 253 . 1 1 31 31 SER CA C 13 54.728 0.129 . 1 . . . A 31 SER CA . 25027 1 254 . 1 1 31 31 SER CB C 13 63.552 0.129 . 1 . . . A 31 SER CB . 25027 1 255 . 1 1 31 31 SER N N 15 111.208 0.160 . 1 . . . A 31 SER N . 25027 1 256 . 1 1 32 32 PHE H H 1 8.863 0.006 . 1 . . . A 32 PHE H . 25027 1 257 . 1 1 32 32 PHE HA H 1 4.907 0.006 . 1 . . . A 32 PHE HA . 25027 1 258 . 1 1 32 32 PHE HB2 H 1 3.451 0.006 . 2 . . . A 32 PHE HB2 . 25027 1 259 . 1 1 32 32 PHE HB3 H 1 3.147 0.006 . 2 . . . A 32 PHE HB3 . 25027 1 260 . 1 1 32 32 PHE HD1 H 1 7.004 0.006 . 1 . . . A 32 PHE QD . 25027 1 261 . 1 1 32 32 PHE HD2 H 1 7.004 0.006 . 1 . . . A 32 PHE QD . 25027 1 262 . 1 1 32 32 PHE HE1 H 1 6.916 0.006 . 1 . . . A 32 PHE QE . 25027 1 263 . 1 1 32 32 PHE HE2 H 1 6.916 0.006 . 1 . . . A 32 PHE QE . 25027 1 264 . 1 1 32 32 PHE CA C 13 54.139 0.129 . 1 . . . A 32 PHE CA . 25027 1 265 . 1 1 32 32 PHE CB C 13 37.437 0.129 . 1 . . . A 32 PHE CB . 25027 1 266 . 1 1 32 32 PHE CD1 C 13 130.239 0.129 . 3 . . . A 32 PHE CD1 . 25027 1 267 . 1 1 32 32 PHE CD2 C 13 130.240 0.129 . 3 . . . A 32 PHE CD2 . 25027 1 268 . 1 1 32 32 PHE CE1 C 13 127.012 0.129 . 3 . . . A 32 PHE CE1 . 25027 1 269 . 1 1 32 32 PHE CE2 C 13 127.010 0.129 . 3 . . . A 32 PHE CE2 . 25027 1 270 . 1 1 32 32 PHE N N 15 116.532 0.160 . 1 . . . A 32 PHE N . 25027 1 271 . 1 1 33 33 ILE H H 1 8.513 0.006 . 1 . . . A 33 ILE H . 25027 1 272 . 1 1 33 33 ILE HA H 1 4.964 0.006 . 1 . . . A 33 ILE HA . 25027 1 273 . 1 1 33 33 ILE HB H 1 1.739 0.006 . 1 . . . A 33 ILE HB . 25027 1 274 . 1 1 33 33 ILE HG12 H 1 1.150 0.006 . 2 . . . A 33 ILE HG12 . 25027 1 275 . 1 1 33 33 ILE HG13 H 1 1.452 0.006 . 2 . . . A 33 ILE HG13 . 25027 1 276 . 1 1 33 33 ILE HG21 H 1 0.866 0.006 . 1 . . . A 33 ILE QG2 . 25027 1 277 . 1 1 33 33 ILE HG22 H 1 0.866 0.006 . 1 . . . A 33 ILE QG2 . 25027 1 278 . 1 1 33 33 ILE HG23 H 1 0.866 0.006 . 1 . . . A 33 ILE QG2 . 25027 1 279 . 1 1 33 33 ILE HD11 H 1 0.782 0.006 . 1 . . . A 33 ILE QD1 . 25027 1 280 . 1 1 33 33 ILE HD12 H 1 0.782 0.006 . 1 . . . A 33 ILE QD1 . 25027 1 281 . 1 1 33 33 ILE HD13 H 1 0.782 0.006 . 1 . . . A 33 ILE QD1 . 25027 1 282 . 1 1 33 33 ILE CA C 13 56.561 0.129 . 1 . . . A 33 ILE CA . 25027 1 283 . 1 1 33 33 ILE CB C 13 37.592 0.129 . 1 . . . A 33 ILE CB . 25027 1 284 . 1 1 33 33 ILE CG1 C 13 25.037 0.129 . 1 . . . A 33 ILE CG1 . 25027 1 285 . 1 1 33 33 ILE CG2 C 13 15.271 0.129 . 1 . . . A 33 ILE CG2 . 25027 1 286 . 1 1 33 33 ILE CD1 C 13 9.991 0.129 . 1 . . . A 33 ILE CD1 . 25027 1 287 . 1 1 33 33 ILE N N 15 119.376 0.160 . 1 . . . A 33 ILE N . 25027 1 288 . 1 1 34 34 LEU H H 1 9.195 0.006 . 1 . . . A 34 LEU H . 25027 1 289 . 1 1 34 34 LEU HA H 1 4.425 0.006 . 1 . . . A 34 LEU HA . 25027 1 290 . 1 1 34 34 LEU HB2 H 1 1.238 0.006 . 2 . . . A 34 LEU HB2 . 25027 1 291 . 1 1 34 34 LEU HB3 H 1 1.639 0.006 . 2 . . . A 34 LEU HB3 . 25027 1 292 . 1 1 34 34 LEU HG H 1 1.608 0.006 . 1 . . . A 34 LEU HG . 25027 1 293 . 1 1 34 34 LEU HD11 H 1 0.775 0.006 . 2 . . . A 34 LEU QD1 . 25027 1 294 . 1 1 34 34 LEU HD12 H 1 0.775 0.006 . 2 . . . A 34 LEU QD1 . 25027 1 295 . 1 1 34 34 LEU HD13 H 1 0.775 0.006 . 2 . . . A 34 LEU QD1 . 25027 1 296 . 1 1 34 34 LEU HD21 H 1 0.746 0.006 . 2 . . . A 34 LEU QD2 . 25027 1 297 . 1 1 34 34 LEU HD22 H 1 0.746 0.006 . 2 . . . A 34 LEU QD2 . 25027 1 298 . 1 1 34 34 LEU HD23 H 1 0.746 0.006 . 2 . . . A 34 LEU QD2 . 25027 1 299 . 1 1 34 34 LEU CA C 13 50.959 0.129 . 1 . . . A 34 LEU CA . 25027 1 300 . 1 1 34 34 LEU CB C 13 42.737 0.129 . 1 . . . A 34 LEU CB . 25027 1 301 . 1 1 34 34 LEU CG C 13 24.040 0.129 . 1 . . . A 34 LEU CG . 25027 1 302 . 1 1 34 34 LEU CD1 C 13 23.774 0.129 . 2 . . . A 34 LEU CD1 . 25027 1 303 . 1 1 34 34 LEU CD2 C 13 21.039 0.129 . 2 . . . A 34 LEU CD2 . 25027 1 304 . 1 1 34 34 LEU N N 15 127.317 0.160 . 1 . . . A 34 LEU N . 25027 1 305 . 1 1 35 35 ASP H H 1 8.700 0.006 . 1 . . . A 35 ASP H . 25027 1 306 . 1 1 35 35 ASP HA H 1 4.814 0.006 . 1 . . . A 35 ASP HA . 25027 1 307 . 1 1 35 35 ASP HB2 H 1 2.441 0.006 . 2 . . . A 35 ASP HB2 . 25027 1 308 . 1 1 35 35 ASP HB3 H 1 2.783 0.006 . 2 . . . A 35 ASP HB3 . 25027 1 309 . 1 1 35 35 ASP CA C 13 50.667 0.129 . 1 . . . A 35 ASP CA . 25027 1 310 . 1 1 35 35 ASP CB C 13 38.808 0.129 . 1 . . . A 35 ASP CB . 25027 1 311 . 1 1 35 35 ASP N N 15 122.774 0.160 . 1 . . . A 35 ASP N . 25027 1 312 . 1 1 36 36 ILE H H 1 8.297 0.006 . 1 . . . A 36 ILE H . 25027 1 313 . 1 1 36 36 ILE HA H 1 3.929 0.006 . 1 . . . A 36 ILE HA . 25027 1 314 . 1 1 36 36 ILE HB H 1 1.055 0.006 . 1 . . . A 36 ILE HB . 25027 1 315 . 1 1 36 36 ILE HG12 H 1 0.851 0.006 . 2 . . . A 36 ILE HG12 . 25027 1 316 . 1 1 36 36 ILE HG13 H 1 -0.014 0.006 . 2 . . . A 36 ILE HG13 . 25027 1 317 . 1 1 36 36 ILE HG21 H 1 -0.402 0.006 . 1 . . . A 36 ILE QG2 . 25027 1 318 . 1 1 36 36 ILE HG22 H 1 -0.402 0.006 . 1 . . . A 36 ILE QG2 . 25027 1 319 . 1 1 36 36 ILE HG23 H 1 -0.402 0.006 . 1 . . . A 36 ILE QG2 . 25027 1 320 . 1 1 36 36 ILE HD11 H 1 -0.306 0.006 . 1 . . . A 36 ILE QD1 . 25027 1 321 . 1 1 36 36 ILE HD12 H 1 -0.306 0.006 . 1 . . . A 36 ILE QD1 . 25027 1 322 . 1 1 36 36 ILE HD13 H 1 -0.306 0.006 . 1 . . . A 36 ILE QD1 . 25027 1 323 . 1 1 36 36 ILE CA C 13 57.725 0.129 . 1 . . . A 36 ILE CA . 25027 1 324 . 1 1 36 36 ILE CB C 13 39.332 0.129 . 1 . . . A 36 ILE CB . 25027 1 325 . 1 1 36 36 ILE CG1 C 13 25.889 0.129 . 1 . . . A 36 ILE CG1 . 25027 1 326 . 1 1 36 36 ILE CG2 C 13 14.993 0.129 . 1 . . . A 36 ILE CG2 . 25027 1 327 . 1 1 36 36 ILE CD1 C 13 11.425 0.129 . 1 . . . A 36 ILE CD1 . 25027 1 328 . 1 1 36 36 ILE N N 15 125.777 0.160 . 1 . . . A 36 ILE N . 25027 1 329 . 1 1 37 37 THR H H 1 8.957 0.006 . 1 . . . A 37 THR H . 25027 1 330 . 1 1 37 37 THR HA H 1 4.263 0.006 . 1 . . . A 37 THR HA . 25027 1 331 . 1 1 37 37 THR HB H 1 3.937 0.006 . 1 . . . A 37 THR HB . 25027 1 332 . 1 1 37 37 THR HG21 H 1 1.229 0.006 . 1 . . . A 37 THR QG2 . 25027 1 333 . 1 1 37 37 THR HG22 H 1 1.229 0.006 . 1 . . . A 37 THR QG2 . 25027 1 334 . 1 1 37 37 THR HG23 H 1 1.229 0.006 . 1 . . . A 37 THR QG2 . 25027 1 335 . 1 1 37 37 THR CA C 13 59.259 0.129 . 1 . . . A 37 THR CA . 25027 1 336 . 1 1 37 37 THR CB C 13 66.817 0.129 . 1 . . . A 37 THR CB . 25027 1 337 . 1 1 37 37 THR CG2 C 13 20.151 0.129 . 1 . . . A 37 THR CG2 . 25027 1 338 . 1 1 37 37 THR N N 15 126.558 0.160 . 1 . . . A 37 THR N . 25027 1 339 . 1 1 38 38 SER H H 1 8.937 0.006 . 1 . . . A 38 SER H . 25027 1 340 . 1 1 38 38 SER HA H 1 5.664 0.006 . 1 . . . A 38 SER HA . 25027 1 341 . 1 1 38 38 SER HB2 H 1 4.491 0.006 . 2 . . . A 38 SER HB2 . 25027 1 342 . 1 1 38 38 SER HB3 H 1 3.745 0.006 . 2 . . . A 38 SER HB3 . 25027 1 343 . 1 1 38 38 SER CA C 13 53.225 0.129 . 1 . . . A 38 SER CA . 25027 1 344 . 1 1 38 38 SER CB C 13 60.981 0.129 . 1 . . . A 38 SER CB . 25027 1 345 . 1 1 38 38 SER N N 15 119.982 0.160 . 1 . . . A 38 SER N . 25027 1 346 . 1 1 39 39 TYR H H 1 8.905 0.006 . 1 . . . A 39 TYR H . 25027 1 347 . 1 1 39 39 TYR HA H 1 5.368 0.006 . 1 . . . A 39 TYR HA . 25027 1 348 . 1 1 39 39 TYR HB2 H 1 3.308 0.006 . 2 . . . A 39 TYR HB2 . 25027 1 349 . 1 1 39 39 TYR HB3 H 1 2.832 0.006 . 2 . . . A 39 TYR HB3 . 25027 1 350 . 1 1 39 39 TYR HD1 H 1 6.702 0.006 . 1 . . . A 39 TYR QD . 25027 1 351 . 1 1 39 39 TYR HD2 H 1 6.702 0.006 . 1 . . . A 39 TYR QD . 25027 1 352 . 1 1 39 39 TYR HE1 H 1 6.208 0.006 . 1 . . . A 39 TYR QE . 25027 1 353 . 1 1 39 39 TYR HE2 H 1 6.208 0.006 . 1 . . . A 39 TYR QE . 25027 1 354 . 1 1 39 39 TYR CA C 13 54.562 0.129 . 1 . . . A 39 TYR CA . 25027 1 355 . 1 1 39 39 TYR CB C 13 37.479 0.129 . 1 . . . A 39 TYR CB . 25027 1 356 . 1 1 39 39 TYR CD1 C 13 130.420 0.129 . 3 . . . A 39 TYR CD1 . 25027 1 357 . 1 1 39 39 TYR CD2 C 13 130.419 0.129 . 3 . . . A 39 TYR CD2 . 25027 1 358 . 1 1 39 39 TYR CE1 C 13 115.470 0.129 . 3 . . . A 39 TYR CE1 . 25027 1 359 . 1 1 39 39 TYR CE2 C 13 115.471 0.129 . 3 . . . A 39 TYR CE2 . 25027 1 360 . 1 1 39 39 TYR N N 15 124.391 0.160 . 1 . . . A 39 TYR N . 25027 1 361 . 1 1 40 40 LYS H H 1 9.202 0.006 . 1 . . . A 40 LYS H . 25027 1 362 . 1 1 40 40 LYS HA H 1 5.357 0.006 . 1 . . . A 40 LYS HA . 25027 1 363 . 1 1 40 40 LYS HB2 H 1 1.640 0.006 . 2 . . . A 40 LYS HB2 . 25027 1 364 . 1 1 40 40 LYS HB3 H 1 1.290 0.006 . 2 . . . A 40 LYS HB3 . 25027 1 365 . 1 1 40 40 LYS HG2 H 1 1.109 0.006 . 2 . . . A 40 LYS HG2 . 25027 1 366 . 1 1 40 40 LYS HG3 H 1 1.239 0.006 . 2 . . . A 40 LYS HG3 . 25027 1 367 . 1 1 40 40 LYS HD2 H 1 1.402 0.006 . 2 . . . A 40 LYS HD2 . 25027 1 368 . 1 1 40 40 LYS HD3 H 1 1.592 0.006 . 2 . . . A 40 LYS HD3 . 25027 1 369 . 1 1 40 40 LYS HE2 H 1 2.716 0.006 . 1 . . . A 40 LYS QE . 25027 1 370 . 1 1 40 40 LYS HE3 H 1 2.716 0.006 . 1 . . . A 40 LYS QE . 25027 1 371 . 1 1 40 40 LYS CA C 13 50.538 0.129 . 1 . . . A 40 LYS CA . 25027 1 372 . 1 1 40 40 LYS CB C 13 34.044 0.129 . 1 . . . A 40 LYS CB . 25027 1 373 . 1 1 40 40 LYS CG C 13 21.357 0.129 . 1 . . . A 40 LYS CG . 25027 1 374 . 1 1 40 40 LYS CD C 13 28.202 0.129 . 1 . . . A 40 LYS CD . 25027 1 375 . 1 1 40 40 LYS CE C 13 39.881 0.129 . 1 . . . A 40 LYS CE . 25027 1 376 . 1 1 40 40 LYS N N 15 116.255 0.160 . 1 . . . A 40 LYS N . 25027 1 377 . 1 1 41 41 LYS H H 1 9.157 0.006 . 1 . . . A 41 LYS H . 25027 1 378 . 1 1 41 41 LYS HA H 1 5.157 0.006 . 1 . . . A 41 LYS HA . 25027 1 379 . 1 1 41 41 LYS HB2 H 1 1.536 0.006 . 2 . . . A 41 LYS HB2 . 25027 1 380 . 1 1 41 41 LYS HB3 H 1 1.986 0.006 . 2 . . . A 41 LYS HB3 . 25027 1 381 . 1 1 41 41 LYS HG2 H 1 1.256 0.006 . 2 . . . A 41 LYS HG2 . 25027 1 382 . 1 1 41 41 LYS HG3 H 1 1.367 0.006 . 2 . . . A 41 LYS HG3 . 25027 1 383 . 1 1 41 41 LYS HD2 H 1 1.635 0.006 . 1 . . . A 41 LYS QD . 25027 1 384 . 1 1 41 41 LYS HD3 H 1 1.635 0.006 . 1 . . . A 41 LYS QD . 25027 1 385 . 1 1 41 41 LYS HE2 H 1 2.843 0.006 . 1 . . . A 41 LYS QE . 25027 1 386 . 1 1 41 41 LYS HE3 H 1 2.843 0.006 . 1 . . . A 41 LYS QE . 25027 1 387 . 1 1 41 41 LYS CA C 13 52.445 0.129 . 1 . . . A 41 LYS CA . 25027 1 388 . 1 1 41 41 LYS CB C 13 34.109 0.129 . 1 . . . A 41 LYS CB . 25027 1 389 . 1 1 41 41 LYS CG C 13 22.609 0.129 . 1 . . . A 41 LYS CG . 25027 1 390 . 1 1 41 41 LYS CD C 13 27.483 0.129 . 1 . . . A 41 LYS CD . 25027 1 391 . 1 1 41 41 LYS CE C 13 39.720 0.129 . 1 . . . A 41 LYS CE . 25027 1 392 . 1 1 41 41 LYS N N 15 125.154 0.160 . 1 . . . A 41 LYS N . 25027 1 393 . 1 1 42 42 THR H H 1 8.491 0.006 . 1 . . . A 42 THR H . 25027 1 394 . 1 1 42 42 THR HA H 1 4.565 0.006 . 1 . . . A 42 THR HA . 25027 1 395 . 1 1 42 42 THR HB H 1 4.020 0.006 . 1 . . . A 42 THR HB . 25027 1 396 . 1 1 42 42 THR HG21 H 1 1.039 0.006 . 1 . . . A 42 THR QG2 . 25027 1 397 . 1 1 42 42 THR HG22 H 1 1.039 0.006 . 1 . . . A 42 THR QG2 . 25027 1 398 . 1 1 42 42 THR HG23 H 1 1.039 0.006 . 1 . . . A 42 THR QG2 . 25027 1 399 . 1 1 42 42 THR CA C 13 57.400 0.129 . 1 . . . A 42 THR CA . 25027 1 400 . 1 1 42 42 THR CB C 13 66.831 0.129 . 1 . . . A 42 THR CB . 25027 1 401 . 1 1 42 42 THR CG2 C 13 18.142 0.129 . 1 . . . A 42 THR CG2 . 25027 1 402 . 1 1 42 42 THR N N 15 121.608 0.160 . 1 . . . A 42 THR N . 25027 1 403 . 1 1 43 43 GLY H H 1 9.061 0.006 . 1 . . . A 43 GLY H . 25027 1 404 . 1 1 43 43 GLY HA2 H 1 3.919 0.006 . 2 . . . A 43 GLY HA2 . 25027 1 405 . 1 1 43 43 GLY HA3 H 1 3.600 0.006 . 2 . . . A 43 GLY HA3 . 25027 1 406 . 1 1 43 43 GLY CA C 13 44.829 0.129 . 1 . . . A 43 GLY CA . 25027 1 407 . 1 1 43 43 GLY N N 15 117.318 0.160 . 1 . . . A 43 GLY N . 25027 1 408 . 1 1 44 44 ASN H H 1 8.739 0.006 . 1 . . . A 44 ASN H . 25027 1 409 . 1 1 44 44 ASN HA H 1 4.777 0.006 . 1 . . . A 44 ASN HA . 25027 1 410 . 1 1 44 44 ASN HB2 H 1 2.854 0.006 . 2 . . . A 44 ASN HB2 . 25027 1 411 . 1 1 44 44 ASN HB3 H 1 2.675 0.006 . 2 . . . A 44 ASN HB3 . 25027 1 412 . 1 1 44 44 ASN HD21 H 1 6.868 0.006 . 2 . . . A 44 ASN HD21 . 25027 1 413 . 1 1 44 44 ASN HD22 H 1 7.536 0.006 . 2 . . . A 44 ASN HD22 . 25027 1 414 . 1 1 44 44 ASN CA C 13 50.316 0.129 . 1 . . . A 44 ASN CA . 25027 1 415 . 1 1 44 44 ASN CB C 13 36.618 0.129 . 1 . . . A 44 ASN CB . 25027 1 416 . 1 1 44 44 ASN N N 15 123.900 0.160 . 1 . . . A 44 ASN N . 25027 1 417 . 1 1 44 44 ASN ND2 N 15 112.884 0.160 . 1 . . . A 44 ASN ND2 . 25027 1 418 . 1 1 45 45 SER H H 1 8.040 0.006 . 1 . . . A 45 SER H . 25027 1 419 . 1 1 45 45 SER HA H 1 4.732 0.006 . 1 . . . A 45 SER HA . 25027 1 420 . 1 1 45 45 SER HB2 H 1 3.817 0.006 . 2 . . . A 45 SER HB2 . 25027 1 421 . 1 1 45 45 SER HB3 H 1 3.845 0.006 . 2 . . . A 45 SER HB3 . 25027 1 422 . 1 1 45 45 SER CA C 13 55.148 0.129 . 1 . . . A 45 SER CA . 25027 1 423 . 1 1 45 45 SER CB C 13 62.163 0.129 . 1 . . . A 45 SER CB . 25027 1 424 . 1 1 45 45 SER N N 15 115.964 0.160 . 1 . . . A 45 SER N . 25027 1 425 . 1 1 46 46 THR H H 1 8.458 0.006 . 1 . . . A 46 THR H . 25027 1 426 . 1 1 46 46 THR HA H 1 5.338 0.006 . 1 . . . A 46 THR HA . 25027 1 427 . 1 1 46 46 THR HB H 1 3.851 0.006 . 1 . . . A 46 THR HB . 25027 1 428 . 1 1 46 46 THR HG21 H 1 0.830 0.006 . 1 . . . A 46 THR QG2 . 25027 1 429 . 1 1 46 46 THR HG22 H 1 0.830 0.006 . 1 . . . A 46 THR QG2 . 25027 1 430 . 1 1 46 46 THR HG23 H 1 0.830 0.006 . 1 . . . A 46 THR QG2 . 25027 1 431 . 1 1 46 46 THR CA C 13 57.753 0.129 . 1 . . . A 46 THR CA . 25027 1 432 . 1 1 46 46 THR CB C 13 68.840 0.129 . 1 . . . A 46 THR CB . 25027 1 433 . 1 1 46 46 THR CG2 C 13 19.319 0.129 . 1 . . . A 46 THR CG2 . 25027 1 434 . 1 1 46 46 THR N N 15 116.914 0.160 . 1 . . . A 46 THR N . 25027 1 435 . 1 1 47 47 LYS H H 1 8.771 0.006 . 1 . . . A 47 LYS H . 25027 1 436 . 1 1 47 47 LYS HA H 1 4.591 0.006 . 1 . . . A 47 LYS HA . 25027 1 437 . 1 1 47 47 LYS HB2 H 1 1.670 0.006 . 2 . . . A 47 LYS HB2 . 25027 1 438 . 1 1 47 47 LYS HB3 H 1 1.643 0.006 . 2 . . . A 47 LYS HB3 . 25027 1 439 . 1 1 47 47 LYS HG2 H 1 1.454 0.006 . 2 . . . A 47 LYS HG2 . 25027 1 440 . 1 1 47 47 LYS HG3 H 1 1.429 0.006 . 2 . . . A 47 LYS HG3 . 25027 1 441 . 1 1 47 47 LYS HE2 H 1 2.955 0.006 . 1 . . . A 47 LYS QE . 25027 1 442 . 1 1 47 47 LYS HE3 H 1 2.955 0.006 . 1 . . . A 47 LYS QE . 25027 1 443 . 1 1 47 47 LYS CA C 13 52.465 0.129 . 1 . . . A 47 LYS CA . 25027 1 444 . 1 1 47 47 LYS CB C 13 33.930 0.129 . 1 . . . A 47 LYS CB . 25027 1 445 . 1 1 47 47 LYS CG C 13 22.150 0.129 . 1 . . . A 47 LYS CG . 25027 1 446 . 1 1 47 47 LYS CE C 13 39.866 0.129 . 1 . . . A 47 LYS CE . 25027 1 447 . 1 1 47 47 LYS N N 15 123.525 0.160 . 1 . . . A 47 LYS N . 25027 1 448 . 1 1 48 48 ALA H H 1 8.700 0.006 . 1 . . . A 48 ALA H . 25027 1 449 . 1 1 48 48 ALA HA H 1 4.656 0.006 . 1 . . . A 48 ALA HA . 25027 1 450 . 1 1 48 48 ALA HB1 H 1 1.509 0.006 . 1 . . . A 48 ALA QB . 25027 1 451 . 1 1 48 48 ALA HB2 H 1 1.509 0.006 . 1 . . . A 48 ALA QB . 25027 1 452 . 1 1 48 48 ALA HB3 H 1 1.509 0.006 . 1 . . . A 48 ALA QB . 25027 1 453 . 1 1 48 48 ALA CA C 13 50.412 0.129 . 1 . . . A 48 ALA CA . 25027 1 454 . 1 1 48 48 ALA CB C 13 16.929 0.129 . 1 . . . A 48 ALA CB . 25027 1 455 . 1 1 48 48 ALA N N 15 128.893 0.160 . 1 . . . A 48 ALA N . 25027 1 456 . 1 1 49 49 LEU H H 1 7.609 0.006 . 1 . . . A 49 LEU H . 25027 1 457 . 1 1 49 49 LEU HA H 1 4.921 0.006 . 1 . . . A 49 LEU HA . 25027 1 458 . 1 1 49 49 LEU HB2 H 1 1.464 0.006 . 2 . . . A 49 LEU HB2 . 25027 1 459 . 1 1 49 49 LEU HB3 H 1 1.544 0.006 . 2 . . . A 49 LEU HB3 . 25027 1 460 . 1 1 49 49 LEU HG H 1 1.677 0.006 . 1 . . . A 49 LEU HG . 25027 1 461 . 1 1 49 49 LEU HD11 H 1 0.888 0.006 . 2 . . . A 49 LEU QD1 . 25027 1 462 . 1 1 49 49 LEU HD12 H 1 0.888 0.006 . 2 . . . A 49 LEU QD1 . 25027 1 463 . 1 1 49 49 LEU HD13 H 1 0.888 0.006 . 2 . . . A 49 LEU QD1 . 25027 1 464 . 1 1 49 49 LEU HD21 H 1 0.994 0.006 . 2 . . . A 49 LEU QD2 . 25027 1 465 . 1 1 49 49 LEU HD22 H 1 0.994 0.006 . 2 . . . A 49 LEU QD2 . 25027 1 466 . 1 1 49 49 LEU HD23 H 1 0.994 0.006 . 2 . . . A 49 LEU QD2 . 25027 1 467 . 1 1 49 49 LEU CA C 13 50.311 0.129 . 1 . . . A 49 LEU CA . 25027 1 468 . 1 1 49 49 LEU CB C 13 44.172 0.129 . 1 . . . A 49 LEU CB . 25027 1 469 . 1 1 49 49 LEU CG C 13 24.483 0.129 . 1 . . . A 49 LEU CG . 25027 1 470 . 1 1 49 49 LEU CD1 C 13 21.275 0.129 . 2 . . . A 49 LEU CD1 . 25027 1 471 . 1 1 49 49 LEU CD2 C 13 24.403 0.129 . 2 . . . A 49 LEU CD2 . 25027 1 472 . 1 1 49 49 LEU N N 15 119.668 0.160 . 1 . . . A 49 LEU N . 25027 1 473 . 1 1 50 50 SER H H 1 8.884 0.006 . 1 . . . A 50 SER H . 25027 1 474 . 1 1 50 50 SER HA H 1 4.221 0.006 . 1 . . . A 50 SER HA . 25027 1 475 . 1 1 50 50 SER HB2 H 1 3.643 0.006 . 2 . . . A 50 SER HB2 . 25027 1 476 . 1 1 50 50 SER HB3 H 1 3.708 0.006 . 2 . . . A 50 SER HB3 . 25027 1 477 . 1 1 50 50 SER CA C 13 54.212 0.129 . 1 . . . A 50 SER CA . 25027 1 478 . 1 1 50 50 SER CB C 13 60.876 0.129 . 1 . . . A 50 SER CB . 25027 1 479 . 1 1 50 50 SER N N 15 121.328 0.160 . 1 . . . A 50 SER N . 25027 1 480 . 1 1 51 51 TRP H H 1 7.401 0.006 . 1 . . . A 51 TRP H . 25027 1 481 . 1 1 51 51 TRP HA H 1 5.154 0.006 . 1 . . . A 51 TRP HA . 25027 1 482 . 1 1 51 51 TRP HB2 H 1 2.765 0.006 . 2 . . . A 51 TRP HB2 . 25027 1 483 . 1 1 51 51 TRP HB3 H 1 3.151 0.006 . 2 . . . A 51 TRP HB3 . 25027 1 484 . 1 1 51 51 TRP HD1 H 1 6.537 0.006 . 1 . . . A 51 TRP HD1 . 25027 1 485 . 1 1 51 51 TRP HE1 H 1 9.179 0.006 . 1 . . . A 51 TRP HE1 . 25027 1 486 . 1 1 51 51 TRP HE3 H 1 7.518 0.006 . 1 . . . A 51 TRP HE3 . 25027 1 487 . 1 1 51 51 TRP HZ2 H 1 6.940 0.006 . 1 . . . A 51 TRP HZ2 . 25027 1 488 . 1 1 51 51 TRP HZ3 H 1 7.298 0.006 . 1 . . . A 51 TRP HZ3 . 25027 1 489 . 1 1 51 51 TRP HH2 H 1 7.174 0.006 . 1 . . . A 51 TRP HH2 . 25027 1 490 . 1 1 51 51 TRP CA C 13 53.522 0.129 . 1 . . . A 51 TRP CA . 25027 1 491 . 1 1 51 51 TRP CB C 13 29.557 0.129 . 1 . . . A 51 TRP CB . 25027 1 492 . 1 1 51 51 TRP CD1 C 13 122.328 0.129 . 1 . . . A 51 TRP CD1 . 25027 1 493 . 1 1 51 51 TRP CE3 C 13 117.972 0.129 . 1 . . . A 51 TRP CE3 . 25027 1 494 . 1 1 51 51 TRP CZ2 C 13 111.628 0.129 . 1 . . . A 51 TRP CZ2 . 25027 1 495 . 1 1 51 51 TRP CZ3 C 13 120.272 0.129 . 1 . . . A 51 TRP CZ3 . 25027 1 496 . 1 1 51 51 TRP CH2 C 13 122.074 0.129 . 1 . . . A 51 TRP CH2 . 25027 1 497 . 1 1 51 51 TRP N N 15 113.514 0.160 . 1 . . . A 51 TRP N . 25027 1 498 . 1 1 51 51 TRP NE1 N 15 126.981 0.160 . 1 . . . A 51 TRP NE1 . 25027 1 499 . 1 1 52 52 ASN H H 1 8.446 0.006 . 1 . . . A 52 ASN H . 25027 1 500 . 1 1 52 52 ASN HA H 1 4.991 0.006 . 1 . . . A 52 ASN HA . 25027 1 501 . 1 1 52 52 ASN HB2 H 1 2.751 0.006 . 1 . . . A 52 ASN QB . 25027 1 502 . 1 1 52 52 ASN HB3 H 1 2.751 0.006 . 1 . . . A 52 ASN QB . 25027 1 503 . 1 1 52 52 ASN HD21 H 1 6.794 0.006 . 2 . . . A 52 ASN HD21 . 25027 1 504 . 1 1 52 52 ASN HD22 H 1 7.510 0.006 . 2 . . . A 52 ASN HD22 . 25027 1 505 . 1 1 52 52 ASN CA C 13 49.062 0.129 . 1 . . . A 52 ASN CA . 25027 1 506 . 1 1 52 52 ASN CB C 13 39.645 0.129 . 1 . . . A 52 ASN CB . 25027 1 507 . 1 1 52 52 ASN N N 15 117.619 0.160 . 1 . . . A 52 ASN N . 25027 1 508 . 1 1 52 52 ASN ND2 N 15 113.657 0.160 . 1 . . . A 52 ASN ND2 . 25027 1 509 . 1 1 53 53 ALA H H 1 8.694 0.006 . 1 . . . A 53 ALA H . 25027 1 510 . 1 1 53 53 ALA HA H 1 5.521 0.006 . 1 . . . A 53 ALA HA . 25027 1 511 . 1 1 53 53 ALA HB1 H 1 1.237 0.006 . 1 . . . A 53 ALA QB . 25027 1 512 . 1 1 53 53 ALA HB2 H 1 1.237 0.006 . 1 . . . A 53 ALA QB . 25027 1 513 . 1 1 53 53 ALA HB3 H 1 1.237 0.006 . 1 . . . A 53 ALA QB . 25027 1 514 . 1 1 53 53 ALA CA C 13 48.441 0.129 . 1 . . . A 53 ALA CA . 25027 1 515 . 1 1 53 53 ALA CB C 13 20.885 0.129 . 1 . . . A 53 ALA CB . 25027 1 516 . 1 1 53 53 ALA N N 15 122.705 0.160 . 1 . . . A 53 ALA N . 25027 1 517 . 1 1 54 54 SER H H 1 8.223 0.006 . 1 . . . A 54 SER H . 25027 1 518 . 1 1 54 54 SER HA H 1 4.721 0.006 . 1 . . . A 54 SER HA . 25027 1 519 . 1 1 54 54 SER HB2 H 1 3.744 0.006 . 2 . . . A 54 SER HB2 . 25027 1 520 . 1 1 54 54 SER HB3 H 1 3.786 0.006 . 2 . . . A 54 SER HB3 . 25027 1 521 . 1 1 54 54 SER CA C 13 54.535 0.129 . 1 . . . A 54 SER CA . 25027 1 522 . 1 1 54 54 SER CB C 13 63.108 0.129 . 1 . . . A 54 SER CB . 25027 1 523 . 1 1 54 54 SER N N 15 114.209 0.160 . 1 . . . A 54 SER N . 25027 1 524 . 1 1 55 55 GLY H H 1 8.439 0.006 . 1 . . . A 55 GLY H . 25027 1 525 . 1 1 55 55 GLY HA2 H 1 3.864 0.006 . 2 . . . A 55 GLY HA2 . 25027 1 526 . 1 1 55 55 GLY HA3 H 1 4.729 0.006 . 2 . . . A 55 GLY HA3 . 25027 1 527 . 1 1 55 55 GLY CA C 13 43.354 0.129 . 1 . . . A 55 GLY CA . 25027 1 528 . 1 1 55 55 GLY N N 15 111.123 0.160 . 1 . . . A 55 GLY N . 25027 1 529 . 1 1 56 56 ASP H H 1 7.754 0.006 . 1 . . . A 56 ASP H . 25027 1 530 . 1 1 56 56 ASP HA H 1 4.475 0.006 . 1 . . . A 56 ASP HA . 25027 1 531 . 1 1 56 56 ASP HB2 H 1 1.610 0.006 . 2 . . . A 56 ASP HB2 . 25027 1 532 . 1 1 56 56 ASP HB3 H 1 2.162 0.006 . 2 . . . A 56 ASP HB3 . 25027 1 533 . 1 1 56 56 ASP CA C 13 54.036 0.129 . 1 . . . A 56 ASP CA . 25027 1 534 . 1 1 56 56 ASP CB C 13 39.603 0.129 . 1 . . . A 56 ASP CB . 25027 1 535 . 1 1 56 56 ASP N N 15 122.033 0.160 . 1 . . . A 56 ASP N . 25027 1 536 . 1 1 57 57 SER H H 1 8.653 0.006 . 1 . . . A 57 SER H . 25027 1 537 . 1 1 57 57 SER HA H 1 4.124 0.006 . 1 . . . A 57 SER HA . 25027 1 538 . 1 1 57 57 SER HB2 H 1 4.045 0.006 . 2 . . . A 57 SER HB2 . 25027 1 539 . 1 1 57 57 SER HB3 H 1 4.131 0.006 . 2 . . . A 57 SER HB3 . 25027 1 540 . 1 1 57 57 SER CA C 13 58.534 0.129 . 1 . . . A 57 SER CA . 25027 1 541 . 1 1 57 57 SER CB C 13 61.096 0.129 . 1 . . . A 57 SER CB . 25027 1 542 . 1 1 57 57 SER N N 15 113.994 0.160 . 1 . . . A 57 SER N . 25027 1 543 . 1 1 58 58 TRP H H 1 6.789 0.006 . 1 . . . A 58 TRP H . 25027 1 544 . 1 1 58 58 TRP HA H 1 4.835 0.006 . 1 . . . A 58 TRP HA . 25027 1 545 . 1 1 58 58 TRP HB2 H 1 3.760 0.006 . 2 . . . A 58 TRP HB2 . 25027 1 546 . 1 1 58 58 TRP HB3 H 1 3.060 0.006 . 2 . . . A 58 TRP HB3 . 25027 1 547 . 1 1 58 58 TRP HD1 H 1 7.337 0.006 . 1 . . . A 58 TRP HD1 . 25027 1 548 . 1 1 58 58 TRP HE1 H 1 10.486 0.006 . 1 . . . A 58 TRP HE1 . 25027 1 549 . 1 1 58 58 TRP HE3 H 1 7.552 0.006 . 1 . . . A 58 TRP HE3 . 25027 1 550 . 1 1 58 58 TRP HZ2 H 1 6.806 0.006 . 1 . . . A 58 TRP HZ2 . 25027 1 551 . 1 1 58 58 TRP HZ3 H 1 6.480 0.006 . 1 . . . A 58 TRP HZ3 . 25027 1 552 . 1 1 58 58 TRP HH2 H 1 6.719 0.006 . 1 . . . A 58 TRP HH2 . 25027 1 553 . 1 1 58 58 TRP CA C 13 50.990 0.129 . 1 . . . A 58 TRP CA . 25027 1 554 . 1 1 58 58 TRP CB C 13 25.948 0.129 . 1 . . . A 58 TRP CB . 25027 1 555 . 1 1 58 58 TRP CD1 C 13 124.599 0.129 . 1 . . . A 58 TRP CD1 . 25027 1 556 . 1 1 58 58 TRP CE3 C 13 121.039 0.129 . 1 . . . A 58 TRP CE3 . 25027 1 557 . 1 1 58 58 TRP CZ2 C 13 110.112 0.129 . 1 . . . A 58 TRP CZ2 . 25027 1 558 . 1 1 58 58 TRP CZ3 C 13 118.760 0.129 . 1 . . . A 58 TRP CZ3 . 25027 1 559 . 1 1 58 58 TRP CH2 C 13 120.720 0.129 . 1 . . . A 58 TRP CH2 . 25027 1 560 . 1 1 58 58 TRP N N 15 115.435 0.160 . 1 . . . A 58 TRP N . 25027 1 561 . 1 1 58 58 TRP NE1 N 15 130.058 0.160 . 1 . . . A 58 TRP NE1 . 25027 1 562 . 1 1 59 59 ILE H H 1 6.690 0.006 . 1 . . . A 59 ILE H . 25027 1 563 . 1 1 59 59 ILE HA H 1 3.857 0.006 . 1 . . . A 59 ILE HA . 25027 1 564 . 1 1 59 59 ILE HB H 1 0.964 0.006 . 1 . . . A 59 ILE HB . 25027 1 565 . 1 1 59 59 ILE HG12 H 1 -0.064 0.006 . 2 . . . A 59 ILE HG12 . 25027 1 566 . 1 1 59 59 ILE HG13 H 1 -0.174 0.006 . 2 . . . A 59 ILE HG13 . 25027 1 567 . 1 1 59 59 ILE HG21 H 1 0.309 0.006 . 1 . . . A 59 ILE QG2 . 25027 1 568 . 1 1 59 59 ILE HG22 H 1 0.309 0.006 . 1 . . . A 59 ILE QG2 . 25027 1 569 . 1 1 59 59 ILE HG23 H 1 0.309 0.006 . 1 . . . A 59 ILE QG2 . 25027 1 570 . 1 1 59 59 ILE HD11 H 1 -0.320 0.006 . 1 . . . A 59 ILE QD1 . 25027 1 571 . 1 1 59 59 ILE HD12 H 1 -0.320 0.006 . 1 . . . A 59 ILE QD1 . 25027 1 572 . 1 1 59 59 ILE HD13 H 1 -0.320 0.006 . 1 . . . A 59 ILE QD1 . 25027 1 573 . 1 1 59 59 ILE CA C 13 58.482 0.129 . 1 . . . A 59 ILE CA . 25027 1 574 . 1 1 59 59 ILE CB C 13 35.856 0.129 . 1 . . . A 59 ILE CB . 25027 1 575 . 1 1 59 59 ILE CG1 C 13 24.598 0.129 . 1 . . . A 59 ILE CG1 . 25027 1 576 . 1 1 59 59 ILE CG2 C 13 15.889 0.129 . 1 . . . A 59 ILE CG2 . 25027 1 577 . 1 1 59 59 ILE CD1 C 13 11.045 0.129 . 1 . . . A 59 ILE CD1 . 25027 1 578 . 1 1 59 59 ILE N N 15 119.905 0.160 . 1 . . . A 59 ILE N . 25027 1 579 . 1 1 60 60 HIS H H 1 9.082 0.006 . 1 . . . A 60 HIS H . 25027 1 580 . 1 1 60 60 HIS HA H 1 4.861 0.006 . 1 . . . A 60 HIS HA . 25027 1 581 . 1 1 60 60 HIS HB2 H 1 3.294 0.006 . 2 . . . A 60 HIS HB2 . 25027 1 582 . 1 1 60 60 HIS HB3 H 1 2.939 0.006 . 2 . . . A 60 HIS HB3 . 25027 1 583 . 1 1 60 60 HIS HD1 H 1 8.904 0.006 . 1 . . . A 60 HIS HD1 . 25027 1 584 . 1 1 60 60 HIS HD2 H 1 6.791 0.006 . 1 . . . A 60 HIS HD2 . 25027 1 585 . 1 1 60 60 HIS CA C 13 50.260 0.129 . 1 . . . A 60 HIS CA . 25027 1 586 . 1 1 60 60 HIS CB C 13 26.025 0.129 . 1 . . . A 60 HIS CB . 25027 1 587 . 1 1 60 60 HIS CD2 C 13 118.462 0.129 . 1 . . . A 60 HIS CD2 . 25027 1 588 . 1 1 60 60 HIS N N 15 125.127 0.160 . 1 . . . A 60 HIS N . 25027 1 589 . 1 1 60 60 HIS ND1 N 15 218.986 0.160 . 1 . . . A 60 HIS ND1 . 25027 1 590 . 1 1 61 61 VAL H H 1 9.112 0.006 . 1 . . . A 61 VAL H . 25027 1 591 . 1 1 61 61 VAL HA H 1 4.369 0.006 . 1 . . . A 61 VAL HA . 25027 1 592 . 1 1 61 61 VAL HB H 1 1.832 0.006 . 1 . . . A 61 VAL HB . 25027 1 593 . 1 1 61 61 VAL HG11 H 1 0.911 0.006 . 2 . . . A 61 VAL QG1 . 25027 1 594 . 1 1 61 61 VAL HG12 H 1 0.911 0.006 . 2 . . . A 61 VAL QG1 . 25027 1 595 . 1 1 61 61 VAL HG13 H 1 0.911 0.006 . 2 . . . A 61 VAL QG1 . 25027 1 596 . 1 1 61 61 VAL HG21 H 1 0.650 0.006 . 2 . . . A 61 VAL QG2 . 25027 1 597 . 1 1 61 61 VAL HG22 H 1 0.650 0.006 . 2 . . . A 61 VAL QG2 . 25027 1 598 . 1 1 61 61 VAL HG23 H 1 0.650 0.006 . 2 . . . A 61 VAL QG2 . 25027 1 599 . 1 1 61 61 VAL CA C 13 59.400 0.129 . 1 . . . A 61 VAL CA . 25027 1 600 . 1 1 61 61 VAL CB C 13 30.368 0.129 . 1 . . . A 61 VAL CB . 25027 1 601 . 1 1 61 61 VAL CG1 C 13 18.646 0.129 . 2 . . . A 61 VAL CG1 . 25027 1 602 . 1 1 61 61 VAL CG2 C 13 19.541 0.129 . 2 . . . A 61 VAL CG2 . 25027 1 603 . 1 1 61 61 VAL N N 15 126.727 0.160 . 1 . . . A 61 VAL N . 25027 1 604 . 1 1 62 62 ASN H H 1 8.868 0.006 . 1 . . . A 62 ASN H . 25027 1 605 . 1 1 62 62 ASN HA H 1 4.837 0.006 . 1 . . . A 62 ASN HA . 25027 1 606 . 1 1 62 62 ASN HB2 H 1 2.527 0.006 . 2 . . . A 62 ASN HB2 . 25027 1 607 . 1 1 62 62 ASN HB3 H 1 2.706 0.006 . 2 . . . A 62 ASN HB3 . 25027 1 608 . 1 1 62 62 ASN HD21 H 1 6.774 0.006 . 2 . . . A 62 ASN HD21 . 25027 1 609 . 1 1 62 62 ASN HD22 H 1 7.574 0.006 . 2 . . . A 62 ASN HD22 . 25027 1 610 . 1 1 62 62 ASN CA C 13 49.223 0.129 . 1 . . . A 62 ASN CA . 25027 1 611 . 1 1 62 62 ASN CB C 13 36.936 0.129 . 1 . . . A 62 ASN CB . 25027 1 612 . 1 1 62 62 ASN N N 15 127.701 0.160 . 1 . . . A 62 ASN N . 25027 1 613 . 1 1 62 62 ASN ND2 N 15 112.479 0.160 . 1 . . . A 62 ASN ND2 . 25027 1 614 . 1 1 63 63 GLY H H 1 8.957 0.006 . 1 . . . A 63 GLY H . 25027 1 615 . 1 1 63 63 GLY HA2 H 1 2.944 0.006 . 2 . . . A 63 GLY HA2 . 25027 1 616 . 1 1 63 63 GLY HA3 H 1 3.816 0.006 . 2 . . . A 63 GLY HA3 . 25027 1 617 . 1 1 63 63 GLY CA C 13 44.573 0.129 . 1 . . . A 63 GLY CA . 25027 1 618 . 1 1 63 63 GLY N N 15 116.501 0.160 . 1 . . . A 63 GLY N . 25027 1 619 . 1 1 64 64 SER H H 1 9.195 0.006 . 1 . . . A 64 SER H . 25027 1 620 . 1 1 64 64 SER HA H 1 4.625 0.006 . 1 . . . A 64 SER HA . 25027 1 621 . 1 1 64 64 SER HB2 H 1 4.368 0.006 . 2 . . . A 64 SER HB2 . 25027 1 622 . 1 1 64 64 SER HB3 H 1 4.291 0.006 . 2 . . . A 64 SER HB3 . 25027 1 623 . 1 1 64 64 SER CA C 13 56.495 0.129 . 1 . . . A 64 SER CA . 25027 1 624 . 1 1 64 64 SER CB C 13 61.061 0.129 . 1 . . . A 64 SER CB . 25027 1 625 . 1 1 64 64 SER N N 15 127.241 0.160 . 1 . . . A 64 SER N . 25027 1 626 . 1 1 65 65 SER H H 1 7.910 0.006 . 1 . . . A 65 SER H . 25027 1 627 . 1 1 65 65 SER HA H 1 4.582 0.006 . 1 . . . A 65 SER HA . 25027 1 628 . 1 1 65 65 SER HB2 H 1 3.854 0.006 . 2 . . . A 65 SER HB2 . 25027 1 629 . 1 1 65 65 SER HB3 H 1 3.913 0.006 . 2 . . . A 65 SER HB3 . 25027 1 630 . 1 1 65 65 SER CA C 13 55.669 0.129 . 1 . . . A 65 SER CA . 25027 1 631 . 1 1 65 65 SER CB C 13 61.056 0.129 . 1 . . . A 65 SER CB . 25027 1 632 . 1 1 65 65 SER N N 15 116.272 0.160 . 1 . . . A 65 SER N . 25027 1 633 . 1 1 66 66 VAL H H 1 8.591 0.006 . 1 . . . A 66 VAL H . 25027 1 634 . 1 1 66 66 VAL HA H 1 4.556 0.006 . 1 . . . A 66 VAL HA . 25027 1 635 . 1 1 66 66 VAL HB H 1 0.554 0.006 . 1 . . . A 66 VAL HB . 25027 1 636 . 1 1 66 66 VAL HG11 H 1 0.519 0.006 . 2 . . . A 66 VAL QG1 . 25027 1 637 . 1 1 66 66 VAL HG12 H 1 0.519 0.006 . 2 . . . A 66 VAL QG1 . 25027 1 638 . 1 1 66 66 VAL HG13 H 1 0.519 0.006 . 2 . . . A 66 VAL QG1 . 25027 1 639 . 1 1 66 66 VAL HG21 H 1 0.359 0.006 . 2 . . . A 66 VAL QG2 . 25027 1 640 . 1 1 66 66 VAL HG22 H 1 0.359 0.006 . 2 . . . A 66 VAL QG2 . 25027 1 641 . 1 1 66 66 VAL HG23 H 1 0.359 0.006 . 2 . . . A 66 VAL QG2 . 25027 1 642 . 1 1 66 66 VAL CA C 13 58.005 0.129 . 1 . . . A 66 VAL CA . 25027 1 643 . 1 1 66 66 VAL CB C 13 30.268 0.129 . 1 . . . A 66 VAL CB . 25027 1 644 . 1 1 66 66 VAL CG1 C 13 19.325 0.129 . 2 . . . A 66 VAL CG1 . 25027 1 645 . 1 1 66 66 VAL CG2 C 13 20.124 0.129 . 2 . . . A 66 VAL CG2 . 25027 1 646 . 1 1 66 66 VAL N N 15 127.651 0.160 . 1 . . . A 66 VAL N . 25027 1 647 . 1 1 67 67 SER H H 1 8.906 0.006 . 1 . . . A 67 SER H . 25027 1 648 . 1 1 67 67 SER HA H 1 5.128 0.006 . 1 . . . A 67 SER HA . 25027 1 649 . 1 1 67 67 SER HB2 H 1 3.779 0.006 . 2 . . . A 67 SER HB2 . 25027 1 650 . 1 1 67 67 SER HB3 H 1 3.803 0.006 . 2 . . . A 67 SER HB3 . 25027 1 651 . 1 1 67 67 SER CA C 13 53.758 0.129 . 1 . . . A 67 SER CA . 25027 1 652 . 1 1 67 67 SER CB C 13 63.387 0.129 . 1 . . . A 67 SER CB . 25027 1 653 . 1 1 67 67 SER N N 15 120.843 0.160 . 1 . . . A 67 SER N . 25027 1 654 . 1 1 68 68 TYR H H 1 8.316 0.006 . 1 . . . A 68 TYR H . 25027 1 655 . 1 1 68 68 TYR HA H 1 5.777 0.006 . 1 . . . A 68 TYR HA . 25027 1 656 . 1 1 68 68 TYR HB2 H 1 3.374 0.006 . 2 . . . A 68 TYR HB2 . 25027 1 657 . 1 1 68 68 TYR HB3 H 1 2.628 0.006 . 2 . . . A 68 TYR HB3 . 25027 1 658 . 1 1 68 68 TYR HD1 H 1 6.796 0.006 . 1 . . . A 68 TYR QD . 25027 1 659 . 1 1 68 68 TYR HD2 H 1 6.796 0.006 . 1 . . . A 68 TYR QD . 25027 1 660 . 1 1 68 68 TYR HE1 H 1 6.186 0.006 . 1 . . . A 68 TYR QE . 25027 1 661 . 1 1 68 68 TYR HE2 H 1 6.186 0.006 . 1 . . . A 68 TYR QE . 25027 1 662 . 1 1 68 68 TYR CA C 13 51.938 0.129 . 1 . . . A 68 TYR CA . 25027 1 663 . 1 1 68 68 TYR CB C 13 38.566 0.129 . 1 . . . A 68 TYR CB . 25027 1 664 . 1 1 68 68 TYR CD1 C 13 125.116 0.129 . 3 . . . A 68 TYR CD1 . 25027 1 665 . 1 1 68 68 TYR CD2 C 13 125.122 0.129 . 3 . . . A 68 TYR CD2 . 25027 1 666 . 1 1 68 68 TYR CE1 C 13 115.130 0.129 . 3 . . . A 68 TYR CE1 . 25027 1 667 . 1 1 68 68 TYR CE2 C 13 115.135 0.129 . 3 . . . A 68 TYR CE2 . 25027 1 668 . 1 1 68 68 TYR N N 15 118.584 0.160 . 1 . . . A 68 TYR N . 25027 1 669 . 1 1 69 69 ASP H H 1 8.527 0.006 . 1 . . . A 69 ASP H . 25027 1 670 . 1 1 69 69 ASP HA H 1 4.708 0.006 . 1 . . . A 69 ASP HA . 25027 1 671 . 1 1 69 69 ASP HB2 H 1 3.135 0.006 . 2 . . . A 69 ASP HB2 . 25027 1 672 . 1 1 69 69 ASP HB3 H 1 2.793 0.006 . 2 . . . A 69 ASP HB3 . 25027 1 673 . 1 1 69 69 ASP CA C 13 51.419 0.129 . 1 . . . A 69 ASP CA . 25027 1 674 . 1 1 69 69 ASP CB C 13 40.332 0.129 . 1 . . . A 69 ASP CB . 25027 1 675 . 1 1 69 69 ASP N N 15 120.917 0.160 . 1 . . . A 69 ASP N . 25027 1 676 . 1 1 70 70 GLU H H 1 8.560 0.006 . 1 . . . A 70 GLU H . 25027 1 677 . 1 1 70 70 GLU HA H 1 4.172 0.006 . 1 . . . A 70 GLU HA . 25027 1 678 . 1 1 70 70 GLU HB2 H 1 1.822 0.006 . 2 . . . A 70 GLU HB2 . 25027 1 679 . 1 1 70 70 GLU HB3 H 1 2.098 0.006 . 2 . . . A 70 GLU HB3 . 25027 1 680 . 1 1 70 70 GLU HG2 H 1 1.840 0.006 . 2 . . . A 70 GLU HG2 . 25027 1 681 . 1 1 70 70 GLU HG3 H 1 2.228 0.006 . 2 . . . A 70 GLU HG3 . 25027 1 682 . 1 1 70 70 GLU CA C 13 53.160 0.129 . 1 . . . A 70 GLU CA . 25027 1 683 . 1 1 70 70 GLU CB C 13 28.082 0.129 . 1 . . . A 70 GLU CB . 25027 1 684 . 1 1 70 70 GLU CG C 13 33.221 0.129 . 1 . . . A 70 GLU CG . 25027 1 685 . 1 1 70 70 GLU N N 15 118.925 0.160 . 1 . . . A 70 GLU N . 25027 1 686 . 1 1 71 71 ASN H H 1 8.890 0.006 . 1 . . . A 71 ASN H . 25027 1 687 . 1 1 71 71 ASN HA H 1 4.520 0.006 . 1 . . . A 71 ASN HA . 25027 1 688 . 1 1 71 71 ASN HB2 H 1 2.242 0.006 . 2 . . . A 71 ASN HB2 . 25027 1 689 . 1 1 71 71 ASN HB3 H 1 2.869 0.006 . 2 . . . A 71 ASN HB3 . 25027 1 690 . 1 1 71 71 ASN HD21 H 1 6.416 0.006 . 2 . . . A 71 ASN HD21 . 25027 1 691 . 1 1 71 71 ASN HD22 H 1 6.756 0.006 . 2 . . . A 71 ASN HD22 . 25027 1 692 . 1 1 71 71 ASN CA C 13 46.646 0.129 . 1 . . . A 71 ASN CA . 25027 1 693 . 1 1 71 71 ASN CB C 13 36.033 0.129 . 1 . . . A 71 ASN CB . 25027 1 694 . 1 1 71 71 ASN N N 15 125.422 0.160 . 1 . . . A 71 ASN N . 25027 1 695 . 1 1 71 71 ASN ND2 N 15 109.395 0.160 . 1 . . . A 71 ASN ND2 . 25027 1 696 . 1 1 72 72 PRO HA H 1 4.367 0.006 . 1 . . . A 72 PRO HA . 25027 1 697 . 1 1 72 72 PRO HB2 H 1 1.934 0.006 . 2 . . . A 72 PRO HB2 . 25027 1 698 . 1 1 72 72 PRO HB3 H 1 2.057 0.006 . 2 . . . A 72 PRO HB3 . 25027 1 699 . 1 1 72 72 PRO HG2 H 1 1.803 0.006 . 2 . . . A 72 PRO HG2 . 25027 1 700 . 1 1 72 72 PRO HG3 H 1 1.926 0.006 . 2 . . . A 72 PRO HG3 . 25027 1 701 . 1 1 72 72 PRO HD2 H 1 3.980 0.006 . 2 . . . A 72 PRO HD2 . 25027 1 702 . 1 1 72 72 PRO HD3 H 1 3.786 0.006 . 2 . . . A 72 PRO HD3 . 25027 1 703 . 1 1 72 72 PRO CA C 13 60.137 0.129 . 1 . . . A 72 PRO CA . 25027 1 704 . 1 1 72 72 PRO CB C 13 30.034 0.129 . 1 . . . A 72 PRO CB . 25027 1 705 . 1 1 72 72 PRO CG C 13 23.431 0.129 . 1 . . . A 72 PRO CG . 25027 1 706 . 1 1 72 72 PRO CD C 13 47.596 0.129 . 1 . . . A 72 PRO CD . 25027 1 707 . 1 1 73 73 ALA H H 1 7.226 0.006 . 1 . . . A 73 ALA H . 25027 1 708 . 1 1 73 73 ALA HA H 1 4.453 0.006 . 1 . . . A 73 ALA HA . 25027 1 709 . 1 1 73 73 ALA HB1 H 1 1.508 0.006 . 1 . . . A 73 ALA QB . 25027 1 710 . 1 1 73 73 ALA HB2 H 1 1.508 0.006 . 1 . . . A 73 ALA QB . 25027 1 711 . 1 1 73 73 ALA HB3 H 1 1.508 0.006 . 1 . . . A 73 ALA QB . 25027 1 712 . 1 1 73 73 ALA CA C 13 48.065 0.129 . 1 . . . A 73 ALA CA . 25027 1 713 . 1 1 73 73 ALA CB C 13 19.244 0.129 . 1 . . . A 73 ALA CB . 25027 1 714 . 1 1 73 73 ALA N N 15 123.026 0.160 . 1 . . . A 73 ALA N . 25027 1 715 . 1 1 74 74 LYS H H 1 8.322 0.006 . 1 . . . A 74 LYS H . 25027 1 716 . 1 1 74 74 LYS HA H 1 4.181 0.006 . 1 . . . A 74 LYS HA . 25027 1 717 . 1 1 74 74 LYS HB2 H 1 1.747 0.006 . 2 . . . A 74 LYS HB2 . 25027 1 718 . 1 1 74 74 LYS HB3 H 1 1.652 0.006 . 2 . . . A 74 LYS HB3 . 25027 1 719 . 1 1 74 74 LYS HG2 H 1 1.310 0.006 . 2 . . . A 74 LYS HG2 . 25027 1 720 . 1 1 74 74 LYS HG3 H 1 1.373 0.006 . 2 . . . A 74 LYS HG3 . 25027 1 721 . 1 1 74 74 LYS HD2 H 1 1.586 0.006 . 1 . . . A 74 LYS QD . 25027 1 722 . 1 1 74 74 LYS HD3 H 1 1.586 0.006 . 1 . . . A 74 LYS QD . 25027 1 723 . 1 1 74 74 LYS HE2 H 1 2.894 0.006 . 1 . . . A 74 LYS QE . 25027 1 724 . 1 1 74 74 LYS HE3 H 1 2.894 0.006 . 1 . . . A 74 LYS QE . 25027 1 725 . 1 1 74 74 LYS CA C 13 54.752 0.129 . 1 . . . A 74 LYS CA . 25027 1 726 . 1 1 74 74 LYS CB C 13 30.132 0.129 . 1 . . . A 74 LYS CB . 25027 1 727 . 1 1 74 74 LYS CG C 13 22.531 0.129 . 1 . . . A 74 LYS CG . 25027 1 728 . 1 1 74 74 LYS CD C 13 26.847 0.129 . 1 . . . A 74 LYS CD . 25027 1 729 . 1 1 74 74 LYS CE C 13 39.554 0.129 . 1 . . . A 74 LYS CE . 25027 1 730 . 1 1 74 74 LYS N N 15 116.805 0.160 . 1 . . . A 74 LYS N . 25027 1 731 . 1 1 75 75 GLU H H 1 7.136 0.006 . 1 . . . A 75 GLU H . 25027 1 732 . 1 1 75 75 GLU HA H 1 4.294 0.006 . 1 . . . A 75 GLU HA . 25027 1 733 . 1 1 75 75 GLU HB2 H 1 1.913 0.006 . 2 . . . A 75 GLU HB2 . 25027 1 734 . 1 1 75 75 GLU HB3 H 1 1.817 0.006 . 2 . . . A 75 GLU HB3 . 25027 1 735 . 1 1 75 75 GLU HG2 H 1 2.119 0.006 . 2 . . . A 75 GLU HG2 . 25027 1 736 . 1 1 75 75 GLU HG3 H 1 2.291 0.006 . 2 . . . A 75 GLU HG3 . 25027 1 737 . 1 1 75 75 GLU CA C 13 53.160 0.129 . 1 . . . A 75 GLU CA . 25027 1 738 . 1 1 75 75 GLU CB C 13 28.359 0.129 . 1 . . . A 75 GLU CB . 25027 1 739 . 1 1 75 75 GLU CG C 13 34.021 0.129 . 1 . . . A 75 GLU CG . 25027 1 740 . 1 1 75 75 GLU N N 15 117.013 0.160 . 1 . . . A 75 GLU N . 25027 1 741 . 1 1 76 76 ARG H H 1 8.147 0.006 . 1 . . . A 76 ARG H . 25027 1 742 . 1 1 76 76 ARG HA H 1 4.230 0.006 . 1 . . . A 76 ARG HA . 25027 1 743 . 1 1 76 76 ARG HB2 H 1 1.689 0.006 . 2 . . . A 76 ARG HB2 . 25027 1 744 . 1 1 76 76 ARG HB3 H 1 1.569 0.006 . 2 . . . A 76 ARG HB3 . 25027 1 745 . 1 1 76 76 ARG HG2 H 1 1.321 0.006 . 2 . . . A 76 ARG HG2 . 25027 1 746 . 1 1 76 76 ARG HG3 H 1 1.370 0.006 . 2 . . . A 76 ARG HG3 . 25027 1 747 . 1 1 76 76 ARG HD2 H 1 2.934 0.006 . 1 . . . A 76 ARG QD . 25027 1 748 . 1 1 76 76 ARG HD3 H 1 2.934 0.006 . 1 . . . A 76 ARG QD . 25027 1 749 . 1 1 76 76 ARG CA C 13 53.279 0.129 . 1 . . . A 76 ARG CA . 25027 1 750 . 1 1 76 76 ARG CB C 13 28.935 0.129 . 1 . . . A 76 ARG CB . 25027 1 751 . 1 1 76 76 ARG CG C 13 23.841 0.129 . 1 . . . A 76 ARG CG . 25027 1 752 . 1 1 76 76 ARG CD C 13 41.493 0.129 . 1 . . . A 76 ARG CD . 25027 1 753 . 1 1 76 76 ARG N N 15 122.836 0.160 . 1 . . . A 76 ARG N . 25027 1 754 . 1 1 77 77 ARG H H 1 8.761 0.006 . 1 . . . A 77 ARG H . 25027 1 755 . 1 1 77 77 ARG HA H 1 4.905 0.006 . 1 . . . A 77 ARG HA . 25027 1 756 . 1 1 77 77 ARG HB2 H 1 1.630 0.006 . 1 . . . A 77 ARG QB . 25027 1 757 . 1 1 77 77 ARG HB3 H 1 1.630 0.006 . 1 . . . A 77 ARG QB . 25027 1 758 . 1 1 77 77 ARG HG2 H 1 1.172 0.006 . 2 . . . A 77 ARG HG2 . 25027 1 759 . 1 1 77 77 ARG HG3 H 1 1.264 0.006 . 2 . . . A 77 ARG HG3 . 25027 1 760 . 1 1 77 77 ARG HD2 H 1 2.843 0.006 . 1 . . . A 77 ARG QD . 25027 1 761 . 1 1 77 77 ARG HD3 H 1 2.843 0.006 . 1 . . . A 77 ARG QD . 25027 1 762 . 1 1 77 77 ARG CA C 13 54.000 0.129 . 1 . . . A 77 ARG CA . 25027 1 763 . 1 1 77 77 ARG CB C 13 27.055 0.129 . 1 . . . A 77 ARG CB . 25027 1 764 . 1 1 77 77 ARG CG C 13 22.243 0.129 . 1 . . . A 77 ARG CG . 25027 1 765 . 1 1 77 77 ARG CD C 13 39.831 0.129 . 1 . . . A 77 ARG CD . 25027 1 766 . 1 1 77 77 ARG N N 15 120.812 0.160 . 1 . . . A 77 ARG N . 25027 1 767 . 1 1 78 78 THR H H 1 8.659 0.006 . 1 . . . A 78 THR H . 25027 1 768 . 1 1 78 78 THR HA H 1 5.376 0.006 . 1 . . . A 78 THR HA . 25027 1 769 . 1 1 78 78 THR HB H 1 3.906 0.006 . 1 . . . A 78 THR HB . 25027 1 770 . 1 1 78 78 THR HG21 H 1 1.026 0.006 . 1 . . . A 78 THR QG2 . 25027 1 771 . 1 1 78 78 THR HG22 H 1 1.026 0.006 . 1 . . . A 78 THR QG2 . 25027 1 772 . 1 1 78 78 THR HG23 H 1 1.026 0.006 . 1 . . . A 78 THR QG2 . 25027 1 773 . 1 1 78 78 THR CA C 13 58.907 0.129 . 1 . . . A 78 THR CA . 25027 1 774 . 1 1 78 78 THR CB C 13 67.547 0.129 . 1 . . . A 78 THR CB . 25027 1 775 . 1 1 78 78 THR CG2 C 13 19.099 0.129 . 1 . . . A 78 THR CG2 . 25027 1 776 . 1 1 78 78 THR N N 15 118.073 0.160 . 1 . . . A 78 THR N . 25027 1 777 . 1 1 79 79 GLY H H 1 9.591 0.006 . 1 . . . A 79 GLY H . 25027 1 778 . 1 1 79 79 GLY HA2 H 1 3.084 0.006 . 2 . . . A 79 GLY HA2 . 25027 1 779 . 1 1 79 79 GLY HA3 H 1 4.745 0.006 . 2 . . . A 79 GLY HA3 . 25027 1 780 . 1 1 79 79 GLY CA C 13 41.696 0.129 . 1 . . . A 79 GLY CA . 25027 1 781 . 1 1 79 79 GLY N N 15 117.842 0.160 . 1 . . . A 79 GLY N . 25027 1 782 . 1 1 80 80 LEU H H 1 9.256 0.006 . 1 . . . A 80 LEU H . 25027 1 783 . 1 1 80 80 LEU HA H 1 5.210 0.006 . 1 . . . A 80 LEU HA . 25027 1 784 . 1 1 80 80 LEU HB2 H 1 1.376 0.006 . 2 . . . A 80 LEU HB2 . 25027 1 785 . 1 1 80 80 LEU HB3 H 1 1.498 0.006 . 2 . . . A 80 LEU HB3 . 25027 1 786 . 1 1 80 80 LEU HG H 1 1.377 0.006 . 1 . . . A 80 LEU HG . 25027 1 787 . 1 1 80 80 LEU HD11 H 1 0.778 0.006 . 2 . . . A 80 LEU QD1 . 25027 1 788 . 1 1 80 80 LEU HD12 H 1 0.778 0.006 . 2 . . . A 80 LEU QD1 . 25027 1 789 . 1 1 80 80 LEU HD13 H 1 0.778 0.006 . 2 . . . A 80 LEU QD1 . 25027 1 790 . 1 1 80 80 LEU HD21 H 1 0.746 0.006 . 2 . . . A 80 LEU QD2 . 25027 1 791 . 1 1 80 80 LEU HD22 H 1 0.746 0.006 . 2 . . . A 80 LEU QD2 . 25027 1 792 . 1 1 80 80 LEU HD23 H 1 0.746 0.006 . 2 . . . A 80 LEU QD2 . 25027 1 793 . 1 1 80 80 LEU CA C 13 51.261 0.129 . 1 . . . A 80 LEU CA . 25027 1 794 . 1 1 80 80 LEU CB C 13 43.626 0.129 . 1 . . . A 80 LEU CB . 25027 1 795 . 1 1 80 80 LEU CG C 13 25.333 0.129 . 1 . . . A 80 LEU CG . 25027 1 796 . 1 1 80 80 LEU CD1 C 13 22.151 0.129 . 2 . . . A 80 LEU CD1 . 25027 1 797 . 1 1 80 80 LEU CD2 C 13 22.592 0.129 . 2 . . . A 80 LEU CD2 . 25027 1 798 . 1 1 80 80 LEU N N 15 123.877 0.160 . 1 . . . A 80 LEU N . 25027 1 799 . 1 1 81 81 VAL H H 1 9.158 0.006 . 1 . . . A 81 VAL H . 25027 1 800 . 1 1 81 81 VAL HA H 1 4.724 0.006 . 1 . . . A 81 VAL HA . 25027 1 801 . 1 1 81 81 VAL HB H 1 1.675 0.006 . 1 . . . A 81 VAL HB . 25027 1 802 . 1 1 81 81 VAL HG11 H 1 0.608 0.006 . 2 . . . A 81 VAL QG1 . 25027 1 803 . 1 1 81 81 VAL HG12 H 1 0.608 0.006 . 2 . . . A 81 VAL QG1 . 25027 1 804 . 1 1 81 81 VAL HG13 H 1 0.608 0.006 . 2 . . . A 81 VAL QG1 . 25027 1 805 . 1 1 81 81 VAL HG21 H 1 0.658 0.006 . 2 . . . A 81 VAL QG2 . 25027 1 806 . 1 1 81 81 VAL HG22 H 1 0.658 0.006 . 2 . . . A 81 VAL QG2 . 25027 1 807 . 1 1 81 81 VAL HG23 H 1 0.658 0.006 . 2 . . . A 81 VAL QG2 . 25027 1 808 . 1 1 81 81 VAL CB C 13 33.850 0.129 . 1 . . . A 81 VAL CB . 25027 1 809 . 1 1 81 81 VAL CG1 C 13 19.700 0.129 . 2 . . . A 81 VAL CG1 . 25027 1 810 . 1 1 81 81 VAL CG2 C 13 20.389 0.129 . 2 . . . A 81 VAL CG2 . 25027 1 811 . 1 1 81 81 VAL N N 15 121.607 0.160 . 1 . . . A 81 VAL N . 25027 1 812 . 1 1 82 82 THR H H 1 8.887 0.006 . 1 . . . A 82 THR H . 25027 1 813 . 1 1 82 82 THR HA H 1 4.896 0.006 . 1 . . . A 82 THR HA . 25027 1 814 . 1 1 82 82 THR HB H 1 3.835 0.006 . 1 . . . A 82 THR HB . 25027 1 815 . 1 1 82 82 THR HG21 H 1 1.116 0.006 . 1 . . . A 82 THR QG2 . 25027 1 816 . 1 1 82 82 THR HG22 H 1 1.116 0.006 . 1 . . . A 82 THR QG2 . 25027 1 817 . 1 1 82 82 THR HG23 H 1 1.116 0.006 . 1 . . . A 82 THR QG2 . 25027 1 818 . 1 1 82 82 THR CA C 13 59.024 0.129 . 1 . . . A 82 THR CA . 25027 1 819 . 1 1 82 82 THR CB C 13 67.613 0.129 . 1 . . . A 82 THR CB . 25027 1 820 . 1 1 82 82 THR CG2 C 13 19.106 0.129 . 1 . . . A 82 THR CG2 . 25027 1 821 . 1 1 82 82 THR N N 15 120.959 0.160 . 1 . . . A 82 THR N . 25027 1 822 . 1 1 83 83 LEU H H 1 9.230 0.006 . 1 . . . A 83 LEU H . 25027 1 823 . 1 1 83 83 LEU HA H 1 5.124 0.006 . 1 . . . A 83 LEU HA . 25027 1 824 . 1 1 83 83 LEU HB2 H 1 1.142 0.006 . 2 . . . A 83 LEU HB2 . 25027 1 825 . 1 1 83 83 LEU HB3 H 1 1.438 0.006 . 2 . . . A 83 LEU HB3 . 25027 1 826 . 1 1 83 83 LEU HG H 1 1.376 0.006 . 1 . . . A 83 LEU HG . 25027 1 827 . 1 1 83 83 LEU HD11 H 1 0.401 0.006 . 2 . . . A 83 LEU QD1 . 25027 1 828 . 1 1 83 83 LEU HD12 H 1 0.401 0.006 . 2 . . . A 83 LEU QD1 . 25027 1 829 . 1 1 83 83 LEU HD13 H 1 0.401 0.006 . 2 . . . A 83 LEU QD1 . 25027 1 830 . 1 1 83 83 LEU HD21 H 1 0.482 0.006 . 2 . . . A 83 LEU QD2 . 25027 1 831 . 1 1 83 83 LEU HD22 H 1 0.482 0.006 . 2 . . . A 83 LEU QD2 . 25027 1 832 . 1 1 83 83 LEU HD23 H 1 0.482 0.006 . 2 . . . A 83 LEU QD2 . 25027 1 833 . 1 1 83 83 LEU CA C 13 51.273 0.129 . 1 . . . A 83 LEU CA . 25027 1 834 . 1 1 83 83 LEU CB C 13 39.988 0.129 . 1 . . . A 83 LEU CB . 25027 1 835 . 1 1 83 83 LEU CG C 13 26.125 0.129 . 1 . . . A 83 LEU CG . 25027 1 836 . 1 1 83 83 LEU CD1 C 13 22.760 0.129 . 2 . . . A 83 LEU CD1 . 25027 1 837 . 1 1 83 83 LEU CD2 C 13 22.928 0.129 . 2 . . . A 83 LEU CD2 . 25027 1 838 . 1 1 83 83 LEU N N 15 129.860 0.160 . 1 . . . A 83 LEU N . 25027 1 839 . 1 1 84 84 LYS H H 1 8.953 0.006 . 1 . . . A 84 LYS H . 25027 1 840 . 1 1 84 84 LYS HA H 1 5.138 0.006 . 1 . . . A 84 LYS HA . 25027 1 841 . 1 1 84 84 LYS HB2 H 1 1.716 0.006 . 2 . . . A 84 LYS HB2 . 25027 1 842 . 1 1 84 84 LYS HB3 H 1 1.336 0.006 . 2 . . . A 84 LYS HB3 . 25027 1 843 . 1 1 84 84 LYS HG2 H 1 1.012 0.006 . 1 . . . A 84 LYS QG . 25027 1 844 . 1 1 84 84 LYS HG3 H 1 1.012 0.006 . 1 . . . A 84 LYS QG . 25027 1 845 . 1 1 84 84 LYS HD2 H 1 1.506 0.006 . 1 . . . A 84 LYS QD . 25027 1 846 . 1 1 84 84 LYS HD3 H 1 1.506 0.006 . 1 . . . A 84 LYS QD . 25027 1 847 . 1 1 84 84 LYS HE2 H 1 2.816 0.006 . 1 . . . A 84 LYS QE . 25027 1 848 . 1 1 84 84 LYS HE3 H 1 2.816 0.006 . 1 . . . A 84 LYS QE . 25027 1 849 . 1 1 84 84 LYS CA C 13 51.691 0.129 . 1 . . . A 84 LYS CA . 25027 1 850 . 1 1 84 84 LYS CB C 13 33.241 0.129 . 1 . . . A 84 LYS CB . 25027 1 851 . 1 1 84 84 LYS CG C 13 22.085 0.129 . 1 . . . A 84 LYS CG . 25027 1 852 . 1 1 84 84 LYS CD C 13 27.014 0.129 . 1 . . . A 84 LYS CD . 25027 1 853 . 1 1 84 84 LYS CE C 13 39.175 0.129 . 1 . . . A 84 LYS CE . 25027 1 854 . 1 1 84 84 LYS N N 15 123.371 0.160 . 1 . . . A 84 LYS N . 25027 1 855 . 1 1 85 85 GLN H H 1 8.867 0.006 . 1 . . . A 85 GLN H . 25027 1 856 . 1 1 85 85 GLN HA H 1 3.551 0.006 . 1 . . . A 85 GLN HA . 25027 1 857 . 1 1 85 85 GLN HB2 H 1 1.219 0.006 . 2 . . . A 85 GLN HB2 . 25027 1 858 . 1 1 85 85 GLN HB3 H 1 -0.824 0.006 . 2 . . . A 85 GLN HB3 . 25027 1 859 . 1 1 85 85 GLN HG2 H 1 1.427 0.006 . 2 . . . A 85 GLN HG2 . 25027 1 860 . 1 1 85 85 GLN HG3 H 1 2.916 0.006 . 2 . . . A 85 GLN HG3 . 25027 1 861 . 1 1 85 85 GLN HE21 H 1 6.499 0.006 . 2 . . . A 85 GLN HE21 . 25027 1 862 . 1 1 85 85 GLN HE22 H 1 8.243 0.006 . 2 . . . A 85 GLN HE22 . 25027 1 863 . 1 1 85 85 GLN CA C 13 54.367 0.129 . 1 . . . A 85 GLN CA . 25027 1 864 . 1 1 85 85 GLN CB C 13 26.020 0.129 . 1 . . . A 85 GLN CB . 25027 1 865 . 1 1 85 85 GLN CG C 13 31.897 0.129 . 1 . . . A 85 GLN CG . 25027 1 866 . 1 1 85 85 GLN N N 15 132.111 0.160 . 1 . . . A 85 GLN N . 25027 1 867 . 1 1 85 85 GLN NE2 N 15 116.850 0.160 . 1 . . . A 85 GLN NE2 . 25027 1 868 . 1 1 86 86 ASP H H 1 8.536 0.006 . 1 . . . A 86 ASP H . 25027 1 869 . 1 1 86 86 ASP HA H 1 4.113 0.006 . 1 . . . A 86 ASP HA . 25027 1 870 . 1 1 86 86 ASP HB2 H 1 2.448 0.006 . 1 . . . A 86 ASP QB . 25027 1 871 . 1 1 86 86 ASP HB3 H 1 2.448 0.006 . 1 . . . A 86 ASP QB . 25027 1 872 . 1 1 86 86 ASP CA C 13 53.326 0.129 . 1 . . . A 86 ASP CA . 25027 1 873 . 1 1 86 86 ASP CB C 13 38.494 0.129 . 1 . . . A 86 ASP CB . 25027 1 874 . 1 1 86 86 ASP N N 15 130.148 0.160 . 1 . . . A 86 ASP N . 25027 1 875 . 1 1 87 87 GLU H H 1 8.221 0.006 . 1 . . . A 87 GLU H . 25027 1 876 . 1 1 87 87 GLU HA H 1 3.457 0.006 . 1 . . . A 87 GLU HA . 25027 1 877 . 1 1 87 87 GLU HB2 H 1 2.398 0.006 . 2 . . . A 87 GLU HB2 . 25027 1 878 . 1 1 87 87 GLU HB3 H 1 2.094 0.006 . 2 . . . A 87 GLU HB3 . 25027 1 879 . 1 1 87 87 GLU HG2 H 1 2.088 0.006 . 1 . . . A 87 GLU QG . 25027 1 880 . 1 1 87 87 GLU HG3 H 1 2.088 0.006 . 1 . . . A 87 GLU QG . 25027 1 881 . 1 1 87 87 GLU CA C 13 59.076 0.129 . 1 . . . A 87 GLU CA . 25027 1 882 . 1 1 87 87 GLU CB C 13 26.500 0.129 . 1 . . . A 87 GLU CB . 25027 1 883 . 1 1 87 87 GLU CG C 13 34.081 0.129 . 1 . . . A 87 GLU CG . 25027 1 884 . 1 1 87 87 GLU N N 15 114.329 0.160 . 1 . . . A 87 GLU N . 25027 1 885 . 1 1 88 88 SER H H 1 8.728 0.006 . 1 . . . A 88 SER H . 25027 1 886 . 1 1 88 88 SER HA H 1 3.328 0.006 . 1 . . . A 88 SER HA . 25027 1 887 . 1 1 88 88 SER HB2 H 1 2.947 0.006 . 2 . . . A 88 SER HB2 . 25027 1 888 . 1 1 88 88 SER HB3 H 1 2.169 0.006 . 2 . . . A 88 SER HB3 . 25027 1 889 . 1 1 88 88 SER CA C 13 56.474 0.129 . 1 . . . A 88 SER CA . 25027 1 890 . 1 1 88 88 SER CB C 13 59.961 0.129 . 1 . . . A 88 SER CB . 25027 1 891 . 1 1 88 88 SER N N 15 117.944 0.160 . 1 . . . A 88 SER N . 25027 1 892 . 1 1 89 89 GLY H H 1 7.342 0.006 . 1 . . . A 89 GLY H . 25027 1 893 . 1 1 89 89 GLY HA2 H 1 3.382 0.006 . 2 . . . A 89 GLY HA2 . 25027 1 894 . 1 1 89 89 GLY HA3 H 1 3.925 0.006 . 2 . . . A 89 GLY HA3 . 25027 1 895 . 1 1 89 89 GLY CA C 13 43.721 0.129 . 1 . . . A 89 GLY CA . 25027 1 896 . 1 1 89 89 GLY N N 15 110.220 0.160 . 1 . . . A 89 GLY N . 25027 1 897 . 1 1 90 90 LYS H H 1 8.104 0.006 . 1 . . . A 90 LYS H . 25027 1 898 . 1 1 90 90 LYS HA H 1 4.086 0.006 . 1 . . . A 90 LYS HA . 25027 1 899 . 1 1 90 90 LYS HB2 H 1 1.182 0.006 . 2 . . . A 90 LYS HB2 . 25027 1 900 . 1 1 90 90 LYS HB3 H 1 2.219 0.006 . 2 . . . A 90 LYS HB3 . 25027 1 901 . 1 1 90 90 LYS HG2 H 1 1.406 0.006 . 2 . . . A 90 LYS HG2 . 25027 1 902 . 1 1 90 90 LYS HG3 H 1 1.233 0.006 . 2 . . . A 90 LYS HG3 . 25027 1 903 . 1 1 90 90 LYS CA C 13 55.463 0.129 . 1 . . . A 90 LYS CA . 25027 1 904 . 1 1 90 90 LYS CB C 13 30.755 0.129 . 1 . . . A 90 LYS CB . 25027 1 905 . 1 1 90 90 LYS CG C 13 23.631 0.129 . 1 . . . A 90 LYS CG . 25027 1 906 . 1 1 90 90 LYS N N 15 120.658 0.160 . 1 . . . A 90 LYS N . 25027 1 907 . 1 1 91 91 THR H H 1 8.167 0.006 . 1 . . . A 91 THR H . 25027 1 908 . 1 1 91 91 THR HA H 1 6.090 0.006 . 1 . . . A 91 THR HA . 25027 1 909 . 1 1 91 91 THR HB H 1 4.103 0.006 . 1 . . . A 91 THR HB . 25027 1 910 . 1 1 91 91 THR HG21 H 1 1.034 0.006 . 1 . . . A 91 THR QG2 . 25027 1 911 . 1 1 91 91 THR HG22 H 1 1.034 0.006 . 1 . . . A 91 THR QG2 . 25027 1 912 . 1 1 91 91 THR HG23 H 1 1.034 0.006 . 1 . . . A 91 THR QG2 . 25027 1 913 . 1 1 91 91 THR CA C 13 56.823 0.129 . 1 . . . A 91 THR CA . 25027 1 914 . 1 1 91 91 THR CB C 13 70.552 0.129 . 1 . . . A 91 THR CB . 25027 1 915 . 1 1 91 91 THR CG2 C 13 18.935 0.129 . 1 . . . A 91 THR CG2 . 25027 1 916 . 1 1 91 91 THR N N 15 107.270 0.160 . 1 . . . A 91 THR N . 25027 1 917 . 1 1 92 92 LEU H H 1 8.651 0.006 . 1 . . . A 92 LEU H . 25027 1 918 . 1 1 92 92 LEU HA H 1 4.733 0.006 . 1 . . . A 92 LEU HA . 25027 1 919 . 1 1 92 92 LEU HB2 H 1 0.833 0.006 . 2 . . . A 92 LEU HB2 . 25027 1 920 . 1 1 92 92 LEU HB3 H 1 0.910 0.006 . 2 . . . A 92 LEU HB3 . 25027 1 921 . 1 1 92 92 LEU HD11 H 1 -1.322 0.006 . 2 . . . A 92 LEU QD1 . 25027 1 922 . 1 1 92 92 LEU HD12 H 1 -1.322 0.006 . 2 . . . A 92 LEU QD1 . 25027 1 923 . 1 1 92 92 LEU HD13 H 1 -1.322 0.006 . 2 . . . A 92 LEU QD1 . 25027 1 924 . 1 1 92 92 LEU HD21 H 1 0.245 0.006 . 2 . . . A 92 LEU QD2 . 25027 1 925 . 1 1 92 92 LEU HD22 H 1 0.245 0.006 . 2 . . . A 92 LEU QD2 . 25027 1 926 . 1 1 92 92 LEU HD23 H 1 0.245 0.006 . 2 . . . A 92 LEU QD2 . 25027 1 927 . 1 1 92 92 LEU CA C 13 50.788 0.129 . 1 . . . A 92 LEU CA . 25027 1 928 . 1 1 92 92 LEU CB C 13 42.886 0.129 . 1 . . . A 92 LEU CB . 25027 1 929 . 1 1 92 92 LEU CD1 C 13 20.710 0.129 . 2 . . . A 92 LEU CD1 . 25027 1 930 . 1 1 92 92 LEU CD2 C 13 20.870 0.129 . 2 . . . A 92 LEU CD2 . 25027 1 931 . 1 1 92 92 LEU N N 15 119.616 0.160 . 1 . . . A 92 LEU N . 25027 1 932 . 1 1 93 93 SER H H 1 8.405 0.006 . 1 . . . A 93 SER H . 25027 1 933 . 1 1 93 93 SER HA H 1 5.170 0.006 . 1 . . . A 93 SER HA . 25027 1 934 . 1 1 93 93 SER HB2 H 1 3.748 0.006 . 2 . . . A 93 SER HB2 . 25027 1 935 . 1 1 93 93 SER HB3 H 1 3.794 0.006 . 2 . . . A 93 SER HB3 . 25027 1 936 . 1 1 93 93 SER CA C 13 54.719 0.129 . 1 . . . A 93 SER CA . 25027 1 937 . 1 1 93 93 SER CB C 13 62.872 0.129 . 1 . . . A 93 SER CB . 25027 1 938 . 1 1 93 93 SER N N 15 113.411 0.160 . 1 . . . A 93 SER N . 25027 1 939 . 1 1 94 94 LEU H H 1 9.074 0.006 . 1 . . . A 94 LEU H . 25027 1 940 . 1 1 94 94 LEU HA H 1 5.177 0.006 . 1 . . . A 94 LEU HA . 25027 1 941 . 1 1 94 94 LEU HB2 H 1 1.309 0.006 . 2 . . . A 94 LEU HB2 . 25027 1 942 . 1 1 94 94 LEU HB3 H 1 1.681 0.006 . 2 . . . A 94 LEU HB3 . 25027 1 943 . 1 1 94 94 LEU HG H 1 1.283 0.006 . 1 . . . A 94 LEU HG . 25027 1 944 . 1 1 94 94 LEU HD11 H 1 0.791 0.006 . 2 . . . A 94 LEU QD1 . 25027 1 945 . 1 1 94 94 LEU HD12 H 1 0.791 0.006 . 2 . . . A 94 LEU QD1 . 25027 1 946 . 1 1 94 94 LEU HD13 H 1 0.791 0.006 . 2 . . . A 94 LEU QD1 . 25027 1 947 . 1 1 94 94 LEU HD21 H 1 0.994 0.006 . 2 . . . A 94 LEU QD2 . 25027 1 948 . 1 1 94 94 LEU HD22 H 1 0.994 0.006 . 2 . . . A 94 LEU QD2 . 25027 1 949 . 1 1 94 94 LEU HD23 H 1 0.994 0.006 . 2 . . . A 94 LEU QD2 . 25027 1 950 . 1 1 94 94 LEU CA C 13 51.452 0.129 . 1 . . . A 94 LEU CA . 25027 1 951 . 1 1 94 94 LEU CB C 13 41.474 0.129 . 1 . . . A 94 LEU CB . 25027 1 952 . 1 1 94 94 LEU CG C 13 25.724 0.129 . 1 . . . A 94 LEU CG . 25027 1 953 . 1 1 94 94 LEU CD1 C 13 23.981 0.129 . 2 . . . A 94 LEU CD1 . 25027 1 954 . 1 1 94 94 LEU CD2 C 13 21.026 0.129 . 2 . . . A 94 LEU CD2 . 25027 1 955 . 1 1 94 94 LEU N N 15 132.093 0.160 . 1 . . . A 94 LEU N . 25027 1 956 . 1 1 95 95 LYS H H 1 8.756 0.006 . 1 . . . A 95 LYS H . 25027 1 957 . 1 1 95 95 LYS HA H 1 5.479 0.006 . 1 . . . A 95 LYS HA . 25027 1 958 . 1 1 95 95 LYS HB2 H 1 1.580 0.006 . 1 . . . A 95 LYS QB . 25027 1 959 . 1 1 95 95 LYS HB3 H 1 1.580 0.006 . 1 . . . A 95 LYS QB . 25027 1 960 . 1 1 95 95 LYS HG2 H 1 1.066 0.006 . 2 . . . A 95 LYS HG2 . 25027 1 961 . 1 1 95 95 LYS HG3 H 1 1.273 0.006 . 2 . . . A 95 LYS HG3 . 25027 1 962 . 1 1 95 95 LYS HE2 H 1 2.670 0.006 . 2 . . . A 95 LYS HE2 . 25027 1 963 . 1 1 95 95 LYS HE3 H 1 2.629 0.006 . 2 . . . A 95 LYS HE3 . 25027 1 964 . 1 1 95 95 LYS CA C 13 50.991 0.129 . 1 . . . A 95 LYS CA . 25027 1 965 . 1 1 95 95 LYS CB C 13 33.313 0.129 . 1 . . . A 95 LYS CB . 25027 1 966 . 1 1 95 95 LYS CG C 13 22.888 0.129 . 1 . . . A 95 LYS CG . 25027 1 967 . 1 1 95 95 LYS CE C 13 39.416 0.129 . 1 . . . A 95 LYS CE . 25027 1 968 . 1 1 95 95 LYS N N 15 127.543 0.160 . 1 . . . A 95 LYS N . 25027 1 969 . 1 1 96 96 ILE H H 1 8.543 0.006 . 1 . . . A 96 ILE H . 25027 1 970 . 1 1 96 96 ILE HA H 1 4.505 0.006 . 1 . . . A 96 ILE HA . 25027 1 971 . 1 1 96 96 ILE HB H 1 1.346 0.006 . 1 . . . A 96 ILE HB . 25027 1 972 . 1 1 96 96 ILE HG12 H 1 0.691 0.006 . 2 . . . A 96 ILE HG12 . 25027 1 973 . 1 1 96 96 ILE HG13 H 1 1.263 0.006 . 2 . . . A 96 ILE HG13 . 25027 1 974 . 1 1 96 96 ILE HG21 H 1 0.290 0.006 . 1 . . . A 96 ILE QG2 . 25027 1 975 . 1 1 96 96 ILE HG22 H 1 0.290 0.006 . 1 . . . A 96 ILE QG2 . 25027 1 976 . 1 1 96 96 ILE HG23 H 1 0.290 0.006 . 1 . . . A 96 ILE QG2 . 25027 1 977 . 1 1 96 96 ILE HD11 H 1 0.541 0.006 . 1 . . . A 96 ILE QD1 . 25027 1 978 . 1 1 96 96 ILE HD12 H 1 0.541 0.006 . 1 . . . A 96 ILE QD1 . 25027 1 979 . 1 1 96 96 ILE HD13 H 1 0.541 0.006 . 1 . . . A 96 ILE QD1 . 25027 1 980 . 1 1 96 96 ILE CA C 13 57.426 0.129 . 1 . . . A 96 ILE CA . 25027 1 981 . 1 1 96 96 ILE CB C 13 38.542 0.129 . 1 . . . A 96 ILE CB . 25027 1 982 . 1 1 96 96 ILE CG1 C 13 24.945 0.129 . 1 . . . A 96 ILE CG1 . 25027 1 983 . 1 1 96 96 ILE CG2 C 13 14.471 0.129 . 1 . . . A 96 ILE CG2 . 25027 1 984 . 1 1 96 96 ILE CD1 C 13 12.338 0.129 . 1 . . . A 96 ILE CD1 . 25027 1 985 . 1 1 96 96 ILE N N 15 122.404 0.160 . 1 . . . A 96 ILE N . 25027 1 986 . 1 1 97 97 VAL H H 1 7.928 0.006 . 1 . . . A 97 VAL H . 25027 1 987 . 1 1 97 97 VAL HA H 1 4.607 0.006 . 1 . . . A 97 VAL HA . 25027 1 988 . 1 1 97 97 VAL HB H 1 1.868 0.006 . 1 . . . A 97 VAL HB . 25027 1 989 . 1 1 97 97 VAL HG11 H 1 0.605 0.006 . 2 . . . A 97 VAL QG1 . 25027 1 990 . 1 1 97 97 VAL HG12 H 1 0.605 0.006 . 2 . . . A 97 VAL QG1 . 25027 1 991 . 1 1 97 97 VAL HG13 H 1 0.605 0.006 . 2 . . . A 97 VAL QG1 . 25027 1 992 . 1 1 97 97 VAL HG21 H 1 0.720 0.006 . 2 . . . A 97 VAL QG2 . 25027 1 993 . 1 1 97 97 VAL HG22 H 1 0.720 0.006 . 2 . . . A 97 VAL QG2 . 25027 1 994 . 1 1 97 97 VAL HG23 H 1 0.720 0.006 . 2 . . . A 97 VAL QG2 . 25027 1 995 . 1 1 97 97 VAL CA C 13 58.642 0.129 . 1 . . . A 97 VAL CA . 25027 1 996 . 1 1 97 97 VAL CB C 13 28.956 0.129 . 1 . . . A 97 VAL CB . 25027 1 997 . 1 1 97 97 VAL CG1 C 13 17.487 0.129 . 2 . . . A 97 VAL CG1 . 25027 1 998 . 1 1 97 97 VAL CG2 C 13 17.925 0.129 . 2 . . . A 97 VAL CG2 . 25027 1 999 . 1 1 97 97 VAL N N 15 128.424 0.160 . 1 . . . A 97 VAL N . 25027 1 1000 . 1 1 98 98 GLN H H 1 9.426 0.006 . 1 . . . A 98 GLN H . 25027 1 1001 . 1 1 98 98 GLN HA H 1 4.806 0.006 . 1 . . . A 98 GLN HA . 25027 1 1002 . 1 1 98 98 GLN HB2 H 1 1.330 0.006 . 2 . . . A 98 GLN HB2 . 25027 1 1003 . 1 1 98 98 GLN HB3 H 1 2.057 0.006 . 2 . . . A 98 GLN HB3 . 25027 1 1004 . 1 1 98 98 GLN HG2 H 1 2.559 0.006 . 2 . . . A 98 GLN HG2 . 25027 1 1005 . 1 1 98 98 GLN HG3 H 1 2.217 0.006 . 2 . . . A 98 GLN HG3 . 25027 1 1006 . 1 1 98 98 GLN HE21 H 1 6.734 0.006 . 2 . . . A 98 GLN HE21 . 25027 1 1007 . 1 1 98 98 GLN HE22 H 1 7.500 0.006 . 2 . . . A 98 GLN HE22 . 25027 1 1008 . 1 1 98 98 GLN CA C 13 49.593 0.129 . 1 . . . A 98 GLN CA . 25027 1 1009 . 1 1 98 98 GLN CB C 13 30.618 0.129 . 1 . . . A 98 GLN CB . 25027 1 1010 . 1 1 98 98 GLN CG C 13 30.854 0.129 . 1 . . . A 98 GLN CG . 25027 1 1011 . 1 1 98 98 GLN N N 15 130.005 0.160 . 1 . . . A 98 GLN N . 25027 1 1012 . 1 1 98 98 GLN NE2 N 15 111.943 0.160 . 1 . . . A 98 GLN NE2 . 25027 1 1013 . 1 1 99 99 PRO HA H 1 4.088 0.006 . 1 . . . A 99 PRO HA . 25027 1 1014 . 1 1 99 99 PRO HB2 H 1 2.359 0.006 . 2 . . . A 99 PRO HB2 . 25027 1 1015 . 1 1 99 99 PRO HB3 H 1 1.498 0.006 . 2 . . . A 99 PRO HB3 . 25027 1 1016 . 1 1 99 99 PRO HG2 H 1 1.792 0.006 . 2 . . . A 99 PRO HG2 . 25027 1 1017 . 1 1 99 99 PRO HG3 H 1 1.608 0.006 . 2 . . . A 99 PRO HG3 . 25027 1 1018 . 1 1 99 99 PRO HD2 H 1 3.271 0.006 . 2 . . . A 99 PRO HD2 . 25027 1 1019 . 1 1 99 99 PRO HD3 H 1 4.072 0.006 . 2 . . . A 99 PRO HD3 . 25027 1 1020 . 1 1 99 99 PRO CA C 13 60.710 0.129 . 1 . . . A 99 PRO CA . 25027 1 1021 . 1 1 99 99 PRO CB C 13 31.337 0.129 . 1 . . . A 99 PRO CB . 25027 1 1022 . 1 1 99 99 PRO CG C 13 25.295 0.129 . 1 . . . A 99 PRO CG . 25027 1 1023 . 1 1 99 99 PRO CD C 13 49.841 0.129 . 1 . . . A 99 PRO CD . 25027 1 1024 . 1 1 100 100 GLY H H 1 8.059 0.006 . 1 . . . A 100 GLY H . 25027 1 1025 . 1 1 100 100 GLY HA2 H 1 3.135 0.006 . 2 . . . A 100 GLY HA2 . 25027 1 1026 . 1 1 100 100 GLY HA3 H 1 3.793 0.006 . 2 . . . A 100 GLY HA3 . 25027 1 1027 . 1 1 100 100 GLY CA C 13 41.368 0.129 . 1 . . . A 100 GLY CA . 25027 1 1028 . 1 1 100 100 GLY N N 15 105.438 0.160 . 1 . . . A 100 GLY N . 25027 1 1029 . 1 1 101 101 LYS H H 1 8.588 0.006 . 1 . . . A 101 LYS H . 25027 1 1030 . 1 1 101 101 LYS HA H 1 4.185 0.006 . 1 . . . A 101 LYS HA . 25027 1 1031 . 1 1 101 101 LYS HB2 H 1 1.383 0.006 . 2 . . . A 101 LYS HB2 . 25027 1 1032 . 1 1 101 101 LYS HB3 H 1 1.570 0.006 . 2 . . . A 101 LYS HB3 . 25027 1 1033 . 1 1 101 101 LYS HG2 H 1 1.173 0.006 . 2 . . . A 101 LYS HG2 . 25027 1 1034 . 1 1 101 101 LYS HG3 H 1 1.276 0.006 . 2 . . . A 101 LYS HG3 . 25027 1 1035 . 1 1 101 101 LYS HD2 H 1 1.449 0.006 . 1 . . . A 101 LYS QD . 25027 1 1036 . 1 1 101 101 LYS HD3 H 1 1.449 0.006 . 1 . . . A 101 LYS QD . 25027 1 1037 . 1 1 101 101 LYS HE2 H 1 2.843 0.006 . 1 . . . A 101 LYS QE . 25027 1 1038 . 1 1 101 101 LYS HE3 H 1 2.843 0.006 . 1 . . . A 101 LYS QE . 25027 1 1039 . 1 1 101 101 LYS CA C 13 53.936 0.129 . 1 . . . A 101 LYS CA . 25027 1 1040 . 1 1 101 101 LYS CB C 13 30.822 0.129 . 1 . . . A 101 LYS CB . 25027 1 1041 . 1 1 101 101 LYS CG C 13 22.108 0.129 . 1 . . . A 101 LYS CG . 25027 1 1042 . 1 1 101 101 LYS CD C 13 27.154 0.129 . 1 . . . A 101 LYS CD . 25027 1 1043 . 1 1 101 101 LYS CE C 13 39.696 0.129 . 1 . . . A 101 LYS CE . 25027 1 1044 . 1 1 101 101 LYS N N 15 123.066 0.160 . 1 . . . A 101 LYS N . 25027 1 1045 . 1 1 102 102 THR H H 1 8.313 0.006 . 1 . . . A 102 THR H . 25027 1 1046 . 1 1 102 102 THR HA H 1 4.264 0.006 . 1 . . . A 102 THR HA . 25027 1 1047 . 1 1 102 102 THR HB H 1 4.170 0.006 . 1 . . . A 102 THR HB . 25027 1 1048 . 1 1 102 102 THR HG21 H 1 1.146 0.006 . 1 . . . A 102 THR QG2 . 25027 1 1049 . 1 1 102 102 THR HG22 H 1 1.146 0.006 . 1 . . . A 102 THR QG2 . 25027 1 1050 . 1 1 102 102 THR HG23 H 1 1.146 0.006 . 1 . . . A 102 THR QG2 . 25027 1 1051 . 1 1 102 102 THR CA C 13 59.267 0.129 . 1 . . . A 102 THR CA . 25027 1 1052 . 1 1 102 102 THR CB C 13 67.154 0.129 . 1 . . . A 102 THR CB . 25027 1 1053 . 1 1 102 102 THR CG2 C 13 19.295 0.129 . 1 . . . A 102 THR CG2 . 25027 1 1054 . 1 1 102 102 THR N N 15 116.852 0.160 . 1 . . . A 102 THR N . 25027 1 1055 . 1 1 103 103 SER H H 1 8.046 0.006 . 1 . . . A 103 SER H . 25027 1 1056 . 1 1 103 103 SER HA H 1 4.427 0.006 . 1 . . . A 103 SER HA . 25027 1 1057 . 1 1 103 103 SER HB2 H 1 3.769 0.006 . 2 . . . A 103 SER HB2 . 25027 1 1058 . 1 1 103 103 SER HB3 H 1 3.817 0.006 . 2 . . . A 103 SER HB3 . 25027 1 1059 . 1 1 103 103 SER CA C 13 55.207 0.129 . 1 . . . A 103 SER CA . 25027 1 1060 . 1 1 103 103 SER CB C 13 61.556 0.129 . 1 . . . A 103 SER CB . 25027 1 1061 . 1 1 103 103 SER N N 15 117.660 0.160 . 1 . . . A 103 SER N . 25027 1 1062 . 1 1 104 104 ILE H H 1 8.168 0.006 . 1 . . . A 104 ILE H . 25027 1 1063 . 1 1 104 104 ILE HA H 1 4.163 0.006 . 1 . . . A 104 ILE HA . 25027 1 1064 . 1 1 104 104 ILE HB H 1 1.830 0.006 . 1 . . . A 104 ILE HB . 25027 1 1065 . 1 1 104 104 ILE HG12 H 1 1.325 0.006 . 2 . . . A 104 ILE HG12 . 25027 1 1066 . 1 1 104 104 ILE HG13 H 1 1.053 0.006 . 2 . . . A 104 ILE HG13 . 25027 1 1067 . 1 1 104 104 ILE HG21 H 1 0.827 0.006 . 1 . . . A 104 ILE QG2 . 25027 1 1068 . 1 1 104 104 ILE HG22 H 1 0.827 0.006 . 1 . . . A 104 ILE QG2 . 25027 1 1069 . 1 1 104 104 ILE HG23 H 1 0.827 0.006 . 1 . . . A 104 ILE QG2 . 25027 1 1070 . 1 1 104 104 ILE HD11 H 1 0.766 0.006 . 1 . . . A 104 ILE QD1 . 25027 1 1071 . 1 1 104 104 ILE HD12 H 1 0.766 0.006 . 1 . . . A 104 ILE QD1 . 25027 1 1072 . 1 1 104 104 ILE HD13 H 1 0.766 0.006 . 1 . . . A 104 ILE QD1 . 25027 1 1073 . 1 1 104 104 ILE CA C 13 58.502 0.129 . 1 . . . A 104 ILE CA . 25027 1 1074 . 1 1 104 104 ILE CB C 13 36.488 0.129 . 1 . . . A 104 ILE CB . 25027 1 1075 . 1 1 104 104 ILE CG1 C 13 24.480 0.129 . 1 . . . A 104 ILE CG1 . 25027 1 1076 . 1 1 104 104 ILE CG2 C 13 15.256 0.129 . 1 . . . A 104 ILE CG2 . 25027 1 1077 . 1 1 104 104 ILE CD1 C 13 10.723 0.129 . 1 . . . A 104 ILE CD1 . 25027 1 1078 . 1 1 104 104 ILE N N 15 121.534 0.160 . 1 . . . A 104 ILE N . 25027 1 1079 . 1 1 105 105 ASP H H 1 7.853 0.006 . 1 . . . A 105 ASP H . 25027 1 1080 . 1 1 105 105 ASP HA H 1 4.164 0.006 . 1 . . . A 105 ASP HA . 25027 1 1081 . 1 1 105 105 ASP HB2 H 1 2.581 0.006 . 2 . . . A 105 ASP HB2 . 25027 1 1082 . 1 1 105 105 ASP HB3 H 1 2.470 0.006 . 2 . . . A 105 ASP HB3 . 25027 1 1083 . 1 1 105 105 ASP CA C 13 56.809 0.129 . 1 . . . A 105 ASP CA . 25027 1 1084 . 1 1 105 105 ASP CB C 13 40.015 0.129 . 1 . . . A 105 ASP CB . 25027 1 1085 . 1 1 105 105 ASP N N 15 128.701 0.160 . 1 . . . A 105 ASP N . 25027 1 stop_ save_