data_6884 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6884 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for Bacillus subtilis Acylphosphatase ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-11-03 _Entry.Accession_date 2005-11-04 _Entry.Last_release_date 2007-04-11 _Entry.Original_release_date 2007-04-11 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Jicheng Hu . . . 6884 2 Bin Xia . . . 6884 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6884 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 362 6884 '15N chemical shifts' 93 6884 '1H chemical shifts' 605 6884 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 . . 2007-04-11 2005-11-03 original author . 6884 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2FHM 'BMRB Entry Tracking System' 6884 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6884 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'solution structure of Bacillus subtilis Acylphosphatase' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _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 Jicheng Hu . . . 6884 1 2 Bin Xia . . . 6884 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6884 _Assembly.ID 1 _Assembly.Name 'YflL monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not available' _Assembly.Molecular_mass 10317 _Assembly.Enzyme_commission_number 3.6.1.7 _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 YflL 1 $acylphosphatase . . no native no no . . . 6884 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_acylphosphatase _Entity.Sf_category entity _Entity.Sf_framecode acylphosphatase _Entity.Entry_ID 6884 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YflL _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can ; MLQYRIIVDGRVQGVGFRYF VQMEADKRKLAGWVKNRDDG RVEILAEGPENALQSFVEAV KNGSPFSKVTDISVTESRSL EGHHRFSIVYS ; _Entity.Polymer_seq_one_letter_code ; MLQYRIIVDGRVQGVGFRYF VQMEADKRKLAGWVKNRDDG RVEILAEGPENALQSFVEAV KNGSPFSKVTDISVTESRSL EGHHRFSIVYS ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not available' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2FHM . "Solution Structure Of Bacillus Subtilis Acylphosphatase" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 2 no PDB 2HLT . "Solution Structure Of Bacillus Subtilis Acylphosphatase" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 3 no PDB 2HLU . "Solution Structure Of Bacillus Subtilis Acylphosphatase" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 4 no PDB 3BR8 . "Crystal Structure Of Acylphosphatase From Bacillus Subtilis" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 5 no DBJ BAA22305 . "YflL [Bacillus subtilis]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 6 no DBJ BAI84280 . "hypothetical protein BSNT_07142 [Bacillus subtilis subsp. natto BEST195]" . . . . . 100.00 102 98.90 100.00 4.03e-58 . . . . 6884 1 7 no DBJ BAM49687 . "acylphosphatase [Bacillus subtilis BEST7613]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 8 no DBJ BAM56957 . "acylphosphatase [Bacillus subtilis BEST7003]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 9 no DBJ GAK79219 . "putative acylphosphatase [Bacillus subtilis Miyagi-4]" . . . . . 100.00 91 98.90 100.00 2.60e-58 . . . . 6884 1 10 no EMBL CAB12593 . "putative acylphosphatase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 11 no EMBL CCU59954 . "Acylphosphate phosphohydrolase,putative [Bacillus subtilis E1]" . . . . . 100.00 91 98.90 100.00 2.60e-58 . . . . 6884 1 12 no EMBL CEI55903 . "acylphosphatase [Bacillus subtilis]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 13 no EMBL CEJ76328 . "acylphosphatase [Bacillus sp.]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 14 no GB ADV95753 . "acylphosphatase [Bacillus subtilis BSn5]" . . . . . 100.00 91 98.90 100.00 2.60e-58 . . . . 6884 1 15 no GB AEP89854 . "acylphosphatase [Bacillus subtilis subsp. subtilis str. RO-NN-1]" . . . . . 100.00 91 98.90 98.90 2.69e-58 . . . . 6884 1 16 no GB AFI27394 . "acylphosphatase [Bacillus sp. JS]" . . . . . 100.00 91 97.80 98.90 1.25e-57 . . . . 6884 1 17 no GB AFQ56683 . "Putative acylphosphatase [Bacillus subtilis QB928]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 18 no GB AGA21267 . "Acylphosphatase (Acylphosphate phosphohydrolase) [Bacillus subtilis subsp. subtilis str. BSP1]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 19 no REF NP_388645 . "acylphosphatase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 20 no REF WP_003233709 . "MULTISPECIES: acylphosphatase [Bacillales]" . . . . . 100.00 91 98.90 100.00 2.60e-58 . . . . 6884 1 21 no REF WP_003243829 . "acylphosphatase [Bacillus subtilis]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 22 no REF WP_014476132 . "acylphosphatase [Bacillus subtilis]" . . . . . 100.00 91 98.90 98.90 2.69e-58 . . . . 6884 1 23 no REF WP_014663186 . "acylphosphatase [Bacillus sp. JS]" . . . . . 100.00 91 97.80 98.90 1.25e-57 . . . . 6884 1 24 no SP O35031 . "RecName: Full=Acylphosphatase; AltName: Full=Acylphosphate phosphohydrolase [Bacillus subtilis subsp. subtilis str. 168]" . . . . . 100.00 91 100.00 100.00 6.45e-59 . . . . 6884 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6884 1 2 . LEU . 6884 1 3 . GLN . 6884 1 4 . TYR . 6884 1 5 . ARG . 6884 1 6 . ILE . 6884 1 7 . ILE . 6884 1 8 . VAL . 6884 1 9 . ASP . 6884 1 10 . GLY . 6884 1 11 . ARG . 6884 1 12 . VAL . 6884 1 13 . GLN . 6884 1 14 . GLY . 6884 1 15 . VAL . 6884 1 16 . GLY . 6884 1 17 . PHE . 6884 1 18 . ARG . 6884 1 19 . TYR . 6884 1 20 . PHE . 6884 1 21 . VAL . 6884 1 22 . GLN . 6884 1 23 . MET . 6884 1 24 . GLU . 6884 1 25 . ALA . 6884 1 26 . ASP . 6884 1 27 . LYS . 6884 1 28 . ARG . 6884 1 29 . LYS . 6884 1 30 . LEU . 6884 1 31 . ALA . 6884 1 32 . GLY . 6884 1 33 . TRP . 6884 1 34 . VAL . 6884 1 35 . LYS . 6884 1 36 . ASN . 6884 1 37 . ARG . 6884 1 38 . ASP . 6884 1 39 . ASP . 6884 1 40 . GLY . 6884 1 41 . ARG . 6884 1 42 . VAL . 6884 1 43 . GLU . 6884 1 44 . ILE . 6884 1 45 . LEU . 6884 1 46 . ALA . 6884 1 47 . GLU . 6884 1 48 . GLY . 6884 1 49 . PRO . 6884 1 50 . GLU . 6884 1 51 . ASN . 6884 1 52 . ALA . 6884 1 53 . LEU . 6884 1 54 . GLN . 6884 1 55 . SER . 6884 1 56 . PHE . 6884 1 57 . VAL . 6884 1 58 . GLU . 6884 1 59 . ALA . 6884 1 60 . VAL . 6884 1 61 . LYS . 6884 1 62 . ASN . 6884 1 63 . GLY . 6884 1 64 . SER . 6884 1 65 . PRO . 6884 1 66 . PHE . 6884 1 67 . SER . 6884 1 68 . LYS . 6884 1 69 . VAL . 6884 1 70 . THR . 6884 1 71 . ASP . 6884 1 72 . ILE . 6884 1 73 . SER . 6884 1 74 . VAL . 6884 1 75 . THR . 6884 1 76 . GLU . 6884 1 77 . SER . 6884 1 78 . ARG . 6884 1 79 . SER . 6884 1 80 . LEU . 6884 1 81 . GLU . 6884 1 82 . GLY . 6884 1 83 . HIS . 6884 1 84 . HIS . 6884 1 85 . ARG . 6884 1 86 . PHE . 6884 1 87 . SER . 6884 1 88 . ILE . 6884 1 89 . VAL . 6884 1 90 . TYR . 6884 1 91 . SER . 6884 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6884 1 . LEU 2 2 6884 1 . GLN 3 3 6884 1 . TYR 4 4 6884 1 . ARG 5 5 6884 1 . ILE 6 6 6884 1 . ILE 7 7 6884 1 . VAL 8 8 6884 1 . ASP 9 9 6884 1 . GLY 10 10 6884 1 . ARG 11 11 6884 1 . VAL 12 12 6884 1 . GLN 13 13 6884 1 . GLY 14 14 6884 1 . VAL 15 15 6884 1 . GLY 16 16 6884 1 . PHE 17 17 6884 1 . ARG 18 18 6884 1 . TYR 19 19 6884 1 . PHE 20 20 6884 1 . VAL 21 21 6884 1 . GLN 22 22 6884 1 . MET 23 23 6884 1 . GLU 24 24 6884 1 . ALA 25 25 6884 1 . ASP 26 26 6884 1 . LYS 27 27 6884 1 . ARG 28 28 6884 1 . LYS 29 29 6884 1 . LEU 30 30 6884 1 . ALA 31 31 6884 1 . GLY 32 32 6884 1 . TRP 33 33 6884 1 . VAL 34 34 6884 1 . LYS 35 35 6884 1 . ASN 36 36 6884 1 . ARG 37 37 6884 1 . ASP 38 38 6884 1 . ASP 39 39 6884 1 . GLY 40 40 6884 1 . ARG 41 41 6884 1 . VAL 42 42 6884 1 . GLU 43 43 6884 1 . ILE 44 44 6884 1 . LEU 45 45 6884 1 . ALA 46 46 6884 1 . GLU 47 47 6884 1 . GLY 48 48 6884 1 . PRO 49 49 6884 1 . GLU 50 50 6884 1 . ASN 51 51 6884 1 . ALA 52 52 6884 1 . LEU 53 53 6884 1 . GLN 54 54 6884 1 . SER 55 55 6884 1 . PHE 56 56 6884 1 . VAL 57 57 6884 1 . GLU 58 58 6884 1 . ALA 59 59 6884 1 . VAL 60 60 6884 1 . LYS 61 61 6884 1 . ASN 62 62 6884 1 . GLY 63 63 6884 1 . SER 64 64 6884 1 . PRO 65 65 6884 1 . PHE 66 66 6884 1 . SER 67 67 6884 1 . LYS 68 68 6884 1 . VAL 69 69 6884 1 . THR 70 70 6884 1 . ASP 71 71 6884 1 . ILE 72 72 6884 1 . SER 73 73 6884 1 . VAL 74 74 6884 1 . THR 75 75 6884 1 . GLU 76 76 6884 1 . SER 77 77 6884 1 . ARG 78 78 6884 1 . SER 79 79 6884 1 . LEU 80 80 6884 1 . GLU 81 81 6884 1 . GLY 82 82 6884 1 . HIS 83 83 6884 1 . HIS 84 84 6884 1 . ARG 85 85 6884 1 . PHE 86 86 6884 1 . SER 87 87 6884 1 . ILE 88 88 6884 1 . VAL 89 89 6884 1 . TYR 90 90 6884 1 . SER 91 91 6884 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 6884 _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 $acylphosphatase . 1423 . no . 'Bacillus subtilis' . . Eubacteria . Bacillus subtilis . . . . . . . . . . . . . . . . . . . . . 6884 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 6884 _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 $acylphosphatase . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6884 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6884 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 YflL '[U-13C; U-15N]' . . 1 $acylphosphatase . . 0.5 . . mM . . . . 6884 1 2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 6884 1 3 NaN3 . . . . . . . 0.03 . . % . . . . 6884 1 4 H20 . . . . . . . 90 . . % . . . . 6884 1 5 D20 . . . . . . . 10 . . % . . . . 6884 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6884 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; 298k,0.5mM pH7.0 50mM pbs buffer ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 1 mM 6884 1 pH 7.0 . pH 6884 1 temperature 298 0.0 K 6884 1 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 6884 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 6884 _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 unknown unknown . 0 . . . 6884 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 6884 _Experiment_list.ID 1 _Experiment_list.Details 'experiment information not available' 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 unknown no 1 $NMR_spec_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 6884 1 stop_ save_ save_NMR_spec_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt _NMR_spec_expt.Entry_ID 6884 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name unknown _NMR_spec_expt.Type unknown _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details 'experiment information not available' save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6884 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . 1 $entry_citation . . 1 $entry_citation 6884 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . 1 $entry_citation . . 1 $entry_citation 6884 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . 1 $entry_citation . . 1 $entry_citation 6884 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 6884 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.03 _Assigned_chem_shift_list.Chem_shift_13C_err 0.3 _Assigned_chem_shift_list.Chem_shift_15N_err 0.3 _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 unknown 1 $sample_1 isotropic 6884 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 3.900 0.03 . 1 . . . . 1 MET HA . 6884 1 2 . 1 1 1 1 MET HB2 H 1 1.870 0.03 . 2 . . . . 1 MET HB1 . 6884 1 3 . 1 1 1 1 MET HB3 H 1 2.050 0.03 . 2 . . . . 1 MET HB2 . 6884 1 4 . 1 1 1 1 MET HG2 H 1 2.480 0.03 . 2 . . . . 1 MET HG1 . 6884 1 5 . 1 1 1 1 MET HG3 H 1 2.670 0.03 . 2 . . . . 1 MET HG2 . 6884 1 6 . 1 1 1 1 MET HE1 H 1 2.090 0.03 . 1 . . . . 1 MET HE1 . 6884 1 7 . 1 1 1 1 MET HE2 H 1 2.090 0.03 . 1 . . . . 1 MET HE1 . 6884 1 8 . 1 1 1 1 MET HE3 H 1 2.090 0.03 . 1 . . . . 1 MET HE1 . 6884 1 9 . 1 1 1 1 MET CA C 13 55.210 0.3 . 1 . . . . 1 MET CA . 6884 1 10 . 1 1 1 1 MET CB C 13 34.420 0.3 . 1 . . . . 1 MET CB . 6884 1 11 . 1 1 1 1 MET CG C 13 31.860 0.3 . 1 . . . . 1 MET CG . 6884 1 12 . 1 1 1 1 MET CE C 13 17.330 0.3 . 1 . . . . 1 MET CE . 6884 1 13 . 1 1 2 2 LEU H H 1 8.520 0.03 . 1 . . . . 2 LEU HN . 6884 1 14 . 1 1 2 2 LEU HA H 1 4.700 0.03 . 1 . . . . 2 LEU HA . 6884 1 15 . 1 1 2 2 LEU HB2 H 1 1.470 0.03 . 2 . . . . 2 LEU HB1 . 6884 1 16 . 1 1 2 2 LEU HB3 H 1 1.530 0.03 . 2 . . . . 2 LEU HB2 . 6884 1 17 . 1 1 2 2 LEU HG H 1 1.620 0.03 . 1 . . . . 2 LEU HG . 6884 1 18 . 1 1 2 2 LEU HD11 H 1 0.970 0.03 . 2 . . . . 2 LEU HD11 . 6884 1 19 . 1 1 2 2 LEU HD12 H 1 0.970 0.03 . 2 . . . . 2 LEU HD11 . 6884 1 20 . 1 1 2 2 LEU HD13 H 1 0.970 0.03 . 2 . . . . 2 LEU HD11 . 6884 1 21 . 1 1 2 2 LEU HD21 H 1 0.980 0.03 . 2 . . . . 2 LEU HD21 . 6884 1 22 . 1 1 2 2 LEU HD22 H 1 0.980 0.03 . 2 . . . . 2 LEU HD21 . 6884 1 23 . 1 1 2 2 LEU HD23 H 1 0.980 0.03 . 2 . . . . 2 LEU HD21 . 6884 1 24 . 1 1 2 2 LEU C C 13 171.550 0.3 . 1 . . . . 2 LEU C . 6884 1 25 . 1 1 2 2 LEU CA C 13 54.020 0.3 . 1 . . . . 2 LEU CA . 6884 1 26 . 1 1 2 2 LEU CB C 13 47.280 0.3 . 1 . . . . 2 LEU CB . 6884 1 27 . 1 1 2 2 LEU CG C 13 27.250 0.3 . 1 . . . . 2 LEU CG . 6884 1 28 . 1 1 2 2 LEU CD1 C 13 25.030 0.3 . 1 . . . . 2 LEU CD1 . 6884 1 29 . 1 1 2 2 LEU CD2 C 13 26.220 0.3 . 1 . . . . 2 LEU CD2 . 6884 1 30 . 1 1 2 2 LEU N N 15 123.010 0.3 . 1 . . . . 2 LEU N . 6884 1 31 . 1 1 3 3 GLN H H 1 8.370 0.03 . 1 . . . . 3 GLN HN . 6884 1 32 . 1 1 3 3 GLN HA H 1 5.440 0.03 . 1 . . . . 3 GLN HA . 6884 1 33 . 1 1 3 3 GLN HB2 H 1 2.190 0.03 . 2 . . . . 3 GLN HB1 . 6884 1 34 . 1 1 3 3 GLN HB3 H 1 2.000 0.03 . 2 . . . . 3 GLN HB2 . 6884 1 35 . 1 1 3 3 GLN HG2 H 1 2.440 0.03 . 2 . . . . 3 GLN HG1 . 6884 1 36 . 1 1 3 3 GLN HG3 H 1 1.720 0.03 . 2 . . . . 3 GLN HG2 . 6884 1 37 . 1 1 3 3 GLN HE21 H 1 8.830 0.03 . 2 . . . . 3 GLN HE21 . 6884 1 38 . 1 1 3 3 GLN HE22 H 1 6.910 0.03 . 2 . . . . 3 GLN HE22 . 6884 1 39 . 1 1 3 3 GLN C C 13 173.030 0.3 . 1 . . . . 3 GLN C . 6884 1 40 . 1 1 3 3 GLN CA C 13 54.010 0.3 . 1 . . . . 3 GLN CA . 6884 1 41 . 1 1 3 3 GLN CB C 13 34.420 0.3 . 1 . . . . 3 GLN CB . 6884 1 42 . 1 1 3 3 GLN CG C 13 36.610 0.3 . 1 . . . . 3 GLN CG . 6884 1 43 . 1 1 3 3 GLN N N 15 118.520 0.3 . 1 . . . . 3 GLN N . 6884 1 44 . 1 1 3 3 GLN NE2 N 15 113.270 0.3 . 1 . . . . 3 GLN NE2 . 6884 1 45 . 1 1 4 4 TYR H H 1 8.370 0.03 . 1 . . . . 4 TYR HN . 6884 1 46 . 1 1 4 4 TYR HA H 1 5.710 0.03 . 1 . . . . 4 TYR HA . 6884 1 47 . 1 1 4 4 TYR HB2 H 1 2.880 0.03 . 2 . . . . 4 TYR HB1 . 6884 1 48 . 1 1 4 4 TYR HB3 H 1 3.110 0.03 . 2 . . . . 4 TYR HB2 . 6884 1 49 . 1 1 4 4 TYR HD1 H 1 6.930 0.03 . 3 . . . . 4 TYR HD1 . 6884 1 50 . 1 1 4 4 TYR HE1 H 1 6.870 0.03 . 3 . . . . 4 TYR HE1 . 6884 1 51 . 1 1 4 4 TYR C C 13 175.390 0.3 . 1 . . . . 4 TYR C . 6884 1 52 . 1 1 4 4 TYR CA C 13 53.300 0.3 . 1 . . . . 4 TYR CA . 6884 1 53 . 1 1 4 4 TYR CB C 13 40.470 0.3 . 1 . . . . 4 TYR CB . 6884 1 54 . 1 1 4 4 TYR N N 15 127.050 0.3 . 1 . . . . 4 TYR N . 6884 1 55 . 1 1 5 5 ARG H H 1 8.960 0.03 . 1 . . . . 5 ARG HN . 6884 1 56 . 1 1 5 5 ARG HA H 1 5.300 0.03 . 1 . . . . 5 ARG HA . 6884 1 57 . 1 1 5 5 ARG HB2 H 1 1.650 0.03 . 2 . . . . 5 ARG HB1 . 6884 1 58 . 1 1 5 5 ARG HB3 H 1 1.860 0.03 . 2 . . . . 5 ARG HB2 . 6884 1 59 . 1 1 5 5 ARG HG2 H 1 1.570 0.03 . 2 . . . . 5 ARG HG1 . 6884 1 60 . 1 1 5 5 ARG HG3 H 1 1.360 0.03 . 2 . . . . 5 ARG HG2 . 6884 1 61 . 1 1 5 5 ARG HD2 H 1 3.120 0.03 . 2 . . . . 5 ARG HD1 . 6884 1 62 . 1 1 5 5 ARG HD3 H 1 3.370 0.03 . 2 . . . . 5 ARG HD2 . 6884 1 63 . 1 1 5 5 ARG HE H 1 7.550 0.03 . 1 . . . . 5 ARG HE . 6884 1 64 . 1 1 5 5 ARG C C 13 174.750 0.3 . 1 . . . . 5 ARG C . 6884 1 65 . 1 1 5 5 ARG CA C 13 55.200 0.3 . 1 . . . . 5 ARG CA . 6884 1 66 . 1 1 5 5 ARG CB C 13 31.910 0.3 . 1 . . . . 5 ARG CB . 6884 1 67 . 1 1 5 5 ARG CG C 13 28.150 0.3 . 1 . . . . 5 ARG CG . 6884 1 68 . 1 1 5 5 ARG CD C 13 43.310 0.3 . 1 . . . . 5 ARG CD . 6884 1 69 . 1 1 5 5 ARG N N 15 123.630 0.3 . 1 . . . . 5 ARG N . 6884 1 70 . 1 1 6 6 ILE H H 1 9.950 0.03 . 1 . . . . 6 ILE HN . 6884 1 71 . 1 1 6 6 ILE HA H 1 5.290 0.03 . 1 . . . . 6 ILE HA . 6884 1 72 . 1 1 6 6 ILE HB H 1 1.860 0.03 . 1 . . . . 6 ILE HB . 6884 1 73 . 1 1 6 6 ILE HG12 H 1 1.070 0.03 . 1 . . . . 6 ILE HG11 . 6884 1 74 . 1 1 6 6 ILE HG13 H 1 1.640 0.03 . 1 . . . . 6 ILE HG12 . 6884 1 75 . 1 1 6 6 ILE HG21 H 1 0.870 0.03 . 1 . . . . 6 ILE HG21 . 6884 1 76 . 1 1 6 6 ILE HG22 H 1 0.870 0.03 . 1 . . . . 6 ILE HG21 . 6884 1 77 . 1 1 6 6 ILE HG23 H 1 0.870 0.03 . 1 . . . . 6 ILE HG21 . 6884 1 78 . 1 1 6 6 ILE HD11 H 1 1.020 0.03 . 1 . . . . 6 ILE HD11 . 6884 1 79 . 1 1 6 6 ILE HD12 H 1 1.020 0.03 . 1 . . . . 6 ILE HD11 . 6884 1 80 . 1 1 6 6 ILE HD13 H 1 1.020 0.03 . 1 . . . . 6 ILE HD11 . 6884 1 81 . 1 1 6 6 ILE C C 13 176.130 0.3 . 1 . . . . 6 ILE C . 6884 1 82 . 1 1 6 6 ILE CA C 13 59.590 0.3 . 1 . . . . 6 ILE CA . 6884 1 83 . 1 1 6 6 ILE CB C 13 42.300 0.3 . 1 . . . . 6 ILE CB . 6884 1 84 . 1 1 6 6 ILE CG1 C 13 27.800 0.3 . 1 . . . . 6 ILE CG1 . 6884 1 85 . 1 1 6 6 ILE CG2 C 13 18.280 0.3 . 1 . . . . 6 ILE CG2 . 6884 1 86 . 1 1 6 6 ILE CD1 C 13 15.860 0.3 . 1 . . . . 6 ILE CD1 . 6884 1 87 . 1 1 6 6 ILE N N 15 130.090 0.3 . 1 . . . . 6 ILE N . 6884 1 88 . 1 1 7 7 ILE H H 1 8.840 0.03 . 1 . . . . 7 ILE HN . 6884 1 89 . 1 1 7 7 ILE HA H 1 5.250 0.03 . 1 . . . . 7 ILE HA . 6884 1 90 . 1 1 7 7 ILE HB H 1 1.800 0.03 . 1 . . . . 7 ILE HB . 6884 1 91 . 1 1 7 7 ILE HG12 H 1 1.140 0.03 . 1 . . . . 7 ILE HG11 . 6884 1 92 . 1 1 7 7 ILE HG13 H 1 1.840 0.03 . 1 . . . . 7 ILE HG12 . 6884 1 93 . 1 1 7 7 ILE HG21 H 1 0.790 0.03 . 1 . . . . 7 ILE HG21 . 6884 1 94 . 1 1 7 7 ILE HG22 H 1 0.790 0.03 . 1 . . . . 7 ILE HG21 . 6884 1 95 . 1 1 7 7 ILE HG23 H 1 0.790 0.03 . 1 . . . . 7 ILE HG21 . 6884 1 96 . 1 1 7 7 ILE HD11 H 1 0.800 0.03 . 1 . . . . 7 ILE HD11 . 6884 1 97 . 1 1 7 7 ILE HD12 H 1 0.800 0.03 . 1 . . . . 7 ILE HD11 . 6884 1 98 . 1 1 7 7 ILE HD13 H 1 0.800 0.03 . 1 . . . . 7 ILE HD11 . 6884 1 99 . 1 1 7 7 ILE C C 13 174.710 0.3 . 1 . . . . 7 ILE C . 6884 1 100 . 1 1 7 7 ILE CA C 13 59.600 0.3 . 1 . . . . 7 ILE CA . 6884 1 101 . 1 1 7 7 ILE CB C 13 39.280 0.3 . 1 . . . . 7 ILE CB . 6884 1 102 . 1 1 7 7 ILE CG1 C 13 28.300 0.3 . 1 . . . . 7 ILE CG1 . 6884 1 103 . 1 1 7 7 ILE CG2 C 13 18.340 0.3 . 1 . . . . 7 ILE CG2 . 6884 1 104 . 1 1 7 7 ILE CD1 C 13 12.190 0.3 . 1 . . . . 7 ILE CD1 . 6884 1 105 . 1 1 7 7 ILE N N 15 127.080 0.3 . 1 . . . . 7 ILE N . 6884 1 106 . 1 1 8 8 VAL H H 1 9.500 0.03 . 1 . . . . 8 VAL HN . 6884 1 107 . 1 1 8 8 VAL HA H 1 4.760 0.03 . 1 . . . . 8 VAL HA . 6884 1 108 . 1 1 8 8 VAL HB H 1 2.000 0.03 . 1 . . . . 8 VAL HB . 6884 1 109 . 1 1 8 8 VAL HG11 H 1 0.900 0.03 . 2 . . . . 8 VAL HG11 . 6884 1 110 . 1 1 8 8 VAL HG12 H 1 0.900 0.03 . 2 . . . . 8 VAL HG11 . 6884 1 111 . 1 1 8 8 VAL HG13 H 1 0.900 0.03 . 2 . . . . 8 VAL HG11 . 6884 1 112 . 1 1 8 8 VAL HG21 H 1 1.030 0.03 . 2 . . . . 8 VAL HG21 . 6884 1 113 . 1 1 8 8 VAL HG22 H 1 1.030 0.03 . 2 . . . . 8 VAL HG21 . 6884 1 114 . 1 1 8 8 VAL HG23 H 1 1.030 0.03 . 2 . . . . 8 VAL HG21 . 6884 1 115 . 1 1 8 8 VAL C C 13 176.040 0.3 . 1 . . . . 8 VAL C . 6884 1 116 . 1 1 8 8 VAL CA C 13 61.160 0.3 . 1 . . . . 8 VAL CA . 6884 1 117 . 1 1 8 8 VAL CB C 13 34.540 0.3 . 1 . . . . 8 VAL CB . 6884 1 118 . 1 1 8 8 VAL CG1 C 13 21.680 0.3 . 1 . . . . 8 VAL CG1 . 6884 1 119 . 1 1 8 8 VAL CG2 C 13 23.850 0.3 . 1 . . . . 8 VAL CG2 . 6884 1 120 . 1 1 8 8 VAL N N 15 128.860 0.3 . 1 . . . . 8 VAL N . 6884 1 121 . 1 1 9 9 ASP H H 1 8.670 0.03 . 1 . . . . 9 ASP HN . 6884 1 122 . 1 1 9 9 ASP HA H 1 5.160 0.03 . 1 . . . . 9 ASP HA . 6884 1 123 . 1 1 9 9 ASP HB2 H 1 2.420 0.03 . 2 . . . . 9 ASP HB1 . 6884 1 124 . 1 1 9 9 ASP HB3 H 1 2.650 0.03 . 2 . . . . 9 ASP HB2 . 6884 1 125 . 1 1 9 9 ASP C C 13 173.420 0.3 . 1 . . . . 9 ASP C . 6884 1 126 . 1 1 9 9 ASP CA C 13 51.360 0.3 . 1 . . . . 9 ASP CA . 6884 1 127 . 1 1 9 9 ASP CB C 13 45.260 0.3 . 1 . . . . 9 ASP CB . 6884 1 128 . 1 1 9 9 ASP N N 15 125.740 0.3 . 1 . . . . 9 ASP N . 6884 1 129 . 1 1 10 10 GLY H H 1 8.680 0.03 . 1 . . . . 10 GLY HN . 6884 1 130 . 1 1 10 10 GLY HA2 H 1 3.690 0.03 . 2 . . . . 10 GLY HA1 . 6884 1 131 . 1 1 10 10 GLY HA3 H 1 5.030 0.03 . 2 . . . . 10 GLY HA2 . 6884 1 132 . 1 1 10 10 GLY C C 13 178.000 0.3 . 1 . . . . 10 GLY C . 6884 1 133 . 1 1 10 10 GLY CA C 13 44.890 0.3 . 1 . . . . 10 GLY CA . 6884 1 134 . 1 1 10 10 GLY N N 15 109.180 0.3 . 1 . . . . 10 GLY N . 6884 1 135 . 1 1 11 11 ARG H H 1 8.990 0.03 . 1 . . . . 11 ARG HN . 6884 1 136 . 1 1 11 11 ARG HA H 1 4.750 0.03 . 1 . . . . 11 ARG HA . 6884 1 137 . 1 1 11 11 ARG HB2 H 1 1.780 0.03 . 2 . . . . 11 ARG HB1 . 6884 1 138 . 1 1 11 11 ARG HB3 H 1 1.930 0.03 . 2 . . . . 11 ARG HB2 . 6884 1 139 . 1 1 11 11 ARG HG2 H 1 1.750 0.03 . 2 . . . . 11 ARG HG1 . 6884 1 140 . 1 1 11 11 ARG HG3 H 1 1.560 0.03 . 2 . . . . 11 ARG HG2 . 6884 1 141 . 1 1 11 11 ARG HD2 H 1 3.290 0.03 . 2 . . . . 11 ARG HD2 . 6884 1 142 . 1 1 11 11 ARG C C 13 174.010 0.3 . 1 . . . . 11 ARG C . 6884 1 143 . 1 1 11 11 ARG CA C 13 54.950 0.3 . 1 . . . . 11 ARG CA . 6884 1 144 . 1 1 11 11 ARG CB C 13 28.890 0.3 . 1 . . . . 11 ARG CB . 6884 1 145 . 1 1 11 11 ARG CG C 13 27.190 0.3 . 1 . . . . 11 ARG CG . 6884 1 146 . 1 1 11 11 ARG CD C 13 43.860 0.3 . 1 . . . . 11 ARG CD . 6884 1 147 . 1 1 11 11 ARG N N 15 128.660 0.3 . 1 . . . . 11 ARG N . 6884 1 148 . 1 1 12 12 VAL H H 1 7.600 0.03 . 1 . . . . 12 VAL HN . 6884 1 149 . 1 1 12 12 VAL HA H 1 4.070 0.03 . 1 . . . . 12 VAL HA . 6884 1 150 . 1 1 12 12 VAL HB H 1 1.670 0.03 . 1 . . . . 12 VAL HB . 6884 1 151 . 1 1 12 12 VAL HG11 H 1 0.640 0.03 . 2 . . . . 12 VAL HG11 . 6884 1 152 . 1 1 12 12 VAL HG12 H 1 0.640 0.03 . 2 . . . . 12 VAL HG11 . 6884 1 153 . 1 1 12 12 VAL HG13 H 1 0.640 0.03 . 2 . . . . 12 VAL HG11 . 6884 1 154 . 1 1 12 12 VAL HG21 H 1 0.140 0.03 . 2 . . . . 12 VAL HG21 . 6884 1 155 . 1 1 12 12 VAL HG22 H 1 0.140 0.03 . 2 . . . . 12 VAL HG21 . 6884 1 156 . 1 1 12 12 VAL HG23 H 1 0.140 0.03 . 2 . . . . 12 VAL HG21 . 6884 1 157 . 1 1 12 12 VAL C C 13 176.180 0.3 . 1 . . . . 12 VAL C . 6884 1 158 . 1 1 12 12 VAL CA C 13 60.540 0.3 . 1 . . . . 12 VAL CA . 6884 1 159 . 1 1 12 12 VAL CB C 13 32.990 0.3 . 1 . . . . 12 VAL CB . 6884 1 160 . 1 1 12 12 VAL CG1 C 13 18.340 0.3 . 1 . . . . 12 VAL CG1 . 6884 1 161 . 1 1 12 12 VAL CG2 C 13 22.060 0.3 . 1 . . . . 12 VAL CG2 . 6884 1 162 . 1 1 12 12 VAL N N 15 112.710 0.3 . 1 . . . . 12 VAL N . 6884 1 163 . 1 1 13 13 GLN H H 1 7.780 0.03 . 1 . . . . 13 GLN HN . 6884 1 164 . 1 1 13 13 GLN HA H 1 5.010 0.03 . 1 . . . . 13 GLN HA . 6884 1 165 . 1 1 13 13 GLN HB2 H 1 1.920 0.03 . 2 . . . . 13 GLN HB1 . 6884 1 166 . 1 1 13 13 GLN HB3 H 1 2.070 0.03 . 2 . . . . 13 GLN HB2 . 6884 1 167 . 1 1 13 13 GLN HG2 H 1 2.180 0.03 . 2 . . . . 13 GLN HG1 . 6884 1 168 . 1 1 13 13 GLN HG3 H 1 2.440 0.03 . 2 . . . . 13 GLN HG2 . 6884 1 169 . 1 1 13 13 GLN HE21 H 1 7.680 0.03 . 2 . . . . 13 GLN HE21 . 6884 1 170 . 1 1 13 13 GLN HE22 H 1 6.320 0.03 . 2 . . . . 13 GLN HE22 . 6884 1 171 . 1 1 13 13 GLN C C 13 173.700 0.3 . 1 . . . . 13 GLN C . 6884 1 172 . 1 1 13 13 GLN CA C 13 55.680 0.3 . 1 . . . . 13 GLN CA . 6884 1 173 . 1 1 13 13 GLN CB C 13 30.180 0.3 . 1 . . . . 13 GLN CB . 6884 1 174 . 1 1 13 13 GLN CG C 13 33.640 0.3 . 1 . . . . 13 GLN CG . 6884 1 175 . 1 1 13 13 GLN N N 15 118.660 0.3 . 1 . . . . 13 GLN N . 6884 1 176 . 1 1 13 13 GLN NE2 N 15 111.620 0.3 . 1 . . . . 13 GLN NE2 . 6884 1 177 . 1 1 14 14 GLY H H 1 10.120 0.03 . 1 . . . . 14 GLY HN . 6884 1 178 . 1 1 14 14 GLY HA2 H 1 4.080 0.03 . 1 . . . . 14 GLY HA1 . 6884 1 179 . 1 1 14 14 GLY HA3 H 1 4.080 0.03 . 1 . . . . 14 GLY HA2 . 6884 1 180 . 1 1 14 14 GLY C C 13 176.130 0.3 . 1 . . . . 14 GLY C . 6884 1 181 . 1 1 14 14 GLY CA C 13 46.630 0.3 . 1 . . . . 14 GLY CA . 6884 1 182 . 1 1 14 14 GLY N N 15 114.330 0.3 . 1 . . . . 14 GLY N . 6884 1 183 . 1 1 15 15 VAL H H 1 8.090 0.03 . 1 . . . . 15 VAL HN . 6884 1 184 . 1 1 15 15 VAL HA H 1 4.720 0.03 . 1 . . . . 15 VAL HA . 6884 1 185 . 1 1 15 15 VAL HB H 1 2.440 0.03 . 1 . . . . 15 VAL HB . 6884 1 186 . 1 1 15 15 VAL HG11 H 1 0.550 0.03 . 2 . . . . 15 VAL HG11 . 6884 1 187 . 1 1 15 15 VAL HG12 H 1 0.550 0.03 . 2 . . . . 15 VAL HG11 . 6884 1 188 . 1 1 15 15 VAL HG13 H 1 0.550 0.03 . 2 . . . . 15 VAL HG11 . 6884 1 189 . 1 1 15 15 VAL HG21 H 1 0.750 0.03 . 2 . . . . 15 VAL HG21 . 6884 1 190 . 1 1 15 15 VAL HG22 H 1 0.750 0.03 . 2 . . . . 15 VAL HG21 . 6884 1 191 . 1 1 15 15 VAL HG23 H 1 0.750 0.03 . 2 . . . . 15 VAL HG21 . 6884 1 192 . 1 1 15 15 VAL C C 13 175.790 0.3 . 1 . . . . 15 VAL C . 6884 1 193 . 1 1 15 15 VAL CA C 13 60.180 0.3 . 1 . . . . 15 VAL CA . 6884 1 194 . 1 1 15 15 VAL CB C 13 33.540 0.3 . 1 . . . . 15 VAL CB . 6884 1 195 . 1 1 15 15 VAL CG1 C 13 18.200 0.3 . 1 . . . . 15 VAL CG1 . 6884 1 196 . 1 1 15 15 VAL CG2 C 13 21.170 0.3 . 1 . . . . 15 VAL CG2 . 6884 1 197 . 1 1 15 15 VAL N N 15 110.260 0.3 . 1 . . . . 15 VAL N . 6884 1 198 . 1 1 16 16 GLY H H 1 10.730 0.03 . 1 . . . . 16 GLY HN . 6884 1 199 . 1 1 16 16 GLY HA2 H 1 4.270 0.03 . 1 . . . . 16 GLY HA1 . 6884 1 200 . 1 1 16 16 GLY HA3 H 1 4.270 0.03 . 1 . . . . 16 GLY HA2 . 6884 1 201 . 1 1 16 16 GLY C C 13 176.430 0.3 . 1 . . . . 16 GLY C . 6884 1 202 . 1 1 16 16 GLY CA C 13 46.620 0.3 . 1 . . . . 16 GLY CA . 6884 1 203 . 1 1 16 16 GLY N N 15 119.590 0.3 . 1 . . . . 16 GLY N . 6884 1 204 . 1 1 17 17 PHE H H 1 9.540 0.03 . 1 . . . . 17 PHE HN . 6884 1 205 . 1 1 17 17 PHE HA H 1 4.340 0.03 . 1 . . . . 17 PHE HA . 6884 1 206 . 1 1 17 17 PHE HB2 H 1 2.890 0.03 . 2 . . . . 17 PHE HB1 . 6884 1 207 . 1 1 17 17 PHE HB3 H 1 3.680 0.03 . 2 . . . . 17 PHE HB2 . 6884 1 208 . 1 1 17 17 PHE HD1 H 1 7.270 0.03 . 3 . . . . 17 PHE HD1 . 6884 1 209 . 1 1 17 17 PHE HE1 H 1 6.830 0.03 . 3 . . . . 17 PHE HE1 . 6884 1 210 . 1 1 17 17 PHE HZ H 1 7.130 0.03 . 1 . . . . 17 PHE HZ . 6884 1 211 . 1 1 17 17 PHE C C 13 176.720 0.3 . 1 . . . . 17 PHE C . 6884 1 212 . 1 1 17 17 PHE CA C 13 61.780 0.3 . 1 . . . . 17 PHE CA . 6884 1 213 . 1 1 17 17 PHE CB C 13 41.090 0.3 . 1 . . . . 17 PHE CB . 6884 1 214 . 1 1 17 17 PHE N N 15 125.920 0.3 . 1 . . . . 17 PHE N . 6884 1 215 . 1 1 18 18 ARG H H 1 8.790 0.03 . 1 . . . . 18 ARG HN . 6884 1 216 . 1 1 18 18 ARG HA H 1 3.910 0.03 . 1 . . . . 18 ARG HA . 6884 1 217 . 1 1 18 18 ARG HB2 H 1 1.720 0.03 . 2 . . . . 18 ARG HB1 . 6884 1 218 . 1 1 18 18 ARG HB3 H 1 2.290 0.03 . 2 . . . . 18 ARG HB2 . 6884 1 219 . 1 1 18 18 ARG HG2 H 1 1.610 0.03 . 2 . . . . 18 ARG HG2 . 6884 1 220 . 1 1 18 18 ARG HD2 H 1 2.820 0.03 . 2 . . . . 18 ARG HD1 . 6884 1 221 . 1 1 18 18 ARG HD3 H 1 3.230 0.03 . 2 . . . . 18 ARG HD2 . 6884 1 222 . 1 1 18 18 ARG C C 13 177.810 0.3 . 1 . . . . 18 ARG C . 6884 1 223 . 1 1 18 18 ARG CA C 13 61.560 0.3 . 1 . . . . 18 ARG CA . 6884 1 224 . 1 1 18 18 ARG CB C 13 28.840 0.3 . 1 . . . . 18 ARG CB . 6884 1 225 . 1 1 18 18 ARG CD C 13 42.900 0.3 . 1 . . . . 18 ARG CD . 6884 1 226 . 1 1 18 18 ARG N N 15 118.870 0.3 . 1 . . . . 18 ARG N . 6884 1 227 . 1 1 19 19 TYR H H 1 8.850 0.03 . 1 . . . . 19 TYR HN . 6884 1 228 . 1 1 19 19 TYR HA H 1 4.290 0.03 . 1 . . . . 19 TYR HA . 6884 1 229 . 1 1 19 19 TYR HB2 H 1 3.010 0.03 . 2 . . . . 19 TYR HB1 . 6884 1 230 . 1 1 19 19 TYR HB3 H 1 3.110 0.03 . 2 . . . . 19 TYR HB2 . 6884 1 231 . 1 1 19 19 TYR HD1 H 1 7.240 0.03 . 3 . . . . 19 TYR HD1 . 6884 1 232 . 1 1 19 19 TYR HE1 H 1 7.140 0.03 . 3 . . . . 19 TYR HE1 . 6884 1 233 . 1 1 19 19 TYR C C 13 177.910 0.3 . 1 . . . . 19 TYR C . 6884 1 234 . 1 1 19 19 TYR CA C 13 61.670 0.3 . 1 . . . . 19 TYR CA . 6884 1 235 . 1 1 19 19 TYR CB C 13 38.160 0.3 . 1 . . . . 19 TYR CB . 6884 1 236 . 1 1 19 19 TYR N N 15 119.500 0.3 . 1 . . . . 19 TYR N . 6884 1 237 . 1 1 20 20 PHE H H 1 7.520 0.03 . 1 . . . . 20 PHE HN . 6884 1 238 . 1 1 20 20 PHE HA H 1 4.240 0.03 . 1 . . . . 20 PHE HA . 6884 1 239 . 1 1 20 20 PHE HB2 H 1 3.190 0.03 . 2 . . . . 20 PHE HB1 . 6884 1 240 . 1 1 20 20 PHE HB3 H 1 3.340 0.03 . 2 . . . . 20 PHE HB2 . 6884 1 241 . 1 1 20 20 PHE C C 13 174.710 0.3 . 1 . . . . 20 PHE C . 6884 1 242 . 1 1 20 20 PHE CA C 13 60.870 0.3 . 1 . . . . 20 PHE CA . 6884 1 243 . 1 1 20 20 PHE CB C 13 39.070 0.3 . 1 . . . . 20 PHE CB . 6884 1 244 . 1 1 20 20 PHE N N 15 120.960 0.3 . 1 . . . . 20 PHE N . 6884 1 245 . 1 1 21 21 VAL H H 1 8.510 0.03 . 1 . . . . 21 VAL HN . 6884 1 246 . 1 1 21 21 VAL HA H 1 2.670 0.03 . 1 . . . . 21 VAL HA . 6884 1 247 . 1 1 21 21 VAL HB H 1 2.180 0.03 . 1 . . . . 21 VAL HB . 6884 1 248 . 1 1 21 21 VAL HG11 H 1 0.710 0.03 . 2 . . . . 21 VAL HG11 . 6884 1 249 . 1 1 21 21 VAL HG12 H 1 0.710 0.03 . 2 . . . . 21 VAL HG11 . 6884 1 250 . 1 1 21 21 VAL HG13 H 1 0.710 0.03 . 2 . . . . 21 VAL HG11 . 6884 1 251 . 1 1 21 21 VAL HG21 H 1 0.940 0.03 . 2 . . . . 21 VAL HG21 . 6884 1 252 . 1 1 21 21 VAL HG22 H 1 0.940 0.03 . 2 . . . . 21 VAL HG21 . 6884 1 253 . 1 1 21 21 VAL HG23 H 1 0.940 0.03 . 2 . . . . 21 VAL HG21 . 6884 1 254 . 1 1 21 21 VAL C C 13 176.130 0.3 . 1 . . . . 21 VAL C . 6884 1 255 . 1 1 21 21 VAL CA C 13 67.160 0.3 . 1 . . . . 21 VAL CA . 6884 1 256 . 1 1 21 21 VAL CB C 13 31.230 0.3 . 1 . . . . 21 VAL CB . 6884 1 257 . 1 1 21 21 VAL CG1 C 13 24.950 0.3 . 1 . . . . 21 VAL CG1 . 6884 1 258 . 1 1 21 21 VAL CG2 C 13 22.940 0.3 . 1 . . . . 21 VAL CG2 . 6884 1 259 . 1 1 21 21 VAL N N 15 120.270 0.3 . 1 . . . . 21 VAL N . 6884 1 260 . 1 1 22 22 GLN H H 1 8.260 0.03 . 1 . . . . 22 GLN HN . 6884 1 261 . 1 1 22 22 GLN HA H 1 3.590 0.03 . 1 . . . . 22 GLN HA . 6884 1 262 . 1 1 22 22 GLN HB2 H 1 1.970 0.03 . 2 . . . . 22 GLN HB1 . 6884 1 263 . 1 1 22 22 GLN HB3 H 1 2.370 0.03 . 2 . . . . 22 GLN HB2 . 6884 1 264 . 1 1 22 22 GLN HG2 H 1 2.300 0.03 . 1 . . . . 22 GLN HG1 . 6884 1 265 . 1 1 22 22 GLN HG3 H 1 2.300 0.03 . 1 . . . . 22 GLN HG2 . 6884 1 266 . 1 1 22 22 GLN HE21 H 1 7.860 0.03 . 2 . . . . 22 GLN HE21 . 6884 1 267 . 1 1 22 22 GLN HE22 H 1 6.770 0.03 . 2 . . . . 22 GLN HE22 . 6884 1 268 . 1 1 22 22 GLN C C 13 177.120 0.3 . 1 . . . . 22 GLN C . 6884 1 269 . 1 1 22 22 GLN CA C 13 59.440 0.3 . 1 . . . . 22 GLN CA . 6884 1 270 . 1 1 22 22 GLN CB C 13 28.480 0.3 . 1 . . . . 22 GLN CB . 6884 1 271 . 1 1 22 22 GLN CG C 13 33.890 0.3 . 1 . . . . 22 GLN CG . 6884 1 272 . 1 1 22 22 GLN N N 15 119.750 0.3 . 1 . . . . 22 GLN N . 6884 1 273 . 1 1 22 22 GLN NE2 N 15 111.950 0.3 . 1 . . . . 22 GLN NE2 . 6884 1 274 . 1 1 23 23 MET H H 1 8.090 0.03 . 1 . . . . 23 MET HN . 6884 1 275 . 1 1 23 23 MET HA H 1 4.080 0.03 . 1 . . . . 23 MET HA . 6884 1 276 . 1 1 23 23 MET HB2 H 1 2.200 0.03 . 2 . . . . 23 MET HB1 . 6884 1 277 . 1 1 23 23 MET HB3 H 1 2.420 0.03 . 2 . . . . 23 MET HB2 . 6884 1 278 . 1 1 23 23 MET HG2 H 1 1.910 0.03 . 2 . . . . 23 MET HG1 . 6884 1 279 . 1 1 23 23 MET HG3 H 1 2.100 0.03 . 2 . . . . 23 MET HG2 . 6884 1 280 . 1 1 23 23 MET HE1 H 1 2.020 0.03 . 1 . . . . 23 MET HE1 . 6884 1 281 . 1 1 23 23 MET HE2 H 1 2.020 0.03 . 1 . . . . 23 MET HE1 . 6884 1 282 . 1 1 23 23 MET HE3 H 1 2.020 0.03 . 1 . . . . 23 MET HE1 . 6884 1 283 . 1 1 23 23 MET C C 13 177.140 0.3 . 1 . . . . 23 MET C . 6884 1 284 . 1 1 23 23 MET CA C 13 58.930 0.3 . 1 . . . . 23 MET CA . 6884 1 285 . 1 1 23 23 MET CB C 13 32.370 0.3 . 1 . . . . 23 MET CB . 6884 1 286 . 1 1 23 23 MET CG C 13 32.450 0.3 . 1 . . . . 23 MET CG . 6884 1 287 . 1 1 23 23 MET CE C 13 17.220 0.3 . 1 . . . . 23 MET CE . 6884 1 288 . 1 1 23 23 MET N N 15 118.780 0.3 . 1 . . . . 23 MET N . 6884 1 289 . 1 1 24 24 GLU H H 1 7.890 0.03 . 1 . . . . 24 GLU HN . 6884 1 290 . 1 1 24 24 GLU HA H 1 3.730 0.03 . 1 . . . . 24 GLU HA . 6884 1 291 . 1 1 24 24 GLU HB2 H 1 1.480 0.03 . 2 . . . . 24 GLU HB1 . 6884 1 292 . 1 1 24 24 GLU HB3 H 1 1.710 0.03 . 2 . . . . 24 GLU HB2 . 6884 1 293 . 1 1 24 24 GLU HG2 H 1 2.180 0.03 . 2 . . . . 24 GLU HG1 . 6884 1 294 . 1 1 24 24 GLU HG3 H 1 1.940 0.03 . 2 . . . . 24 GLU HG2 . 6884 1 295 . 1 1 24 24 GLU C C 13 180.070 0.3 . 1 . . . . 24 GLU C . 6884 1 296 . 1 1 24 24 GLU CA C 13 58.460 0.3 . 1 . . . . 24 GLU CA . 6884 1 297 . 1 1 24 24 GLU CB C 13 27.890 0.3 . 1 . . . . 24 GLU CB . 6884 1 298 . 1 1 24 24 GLU CG C 13 35.420 0.3 . 1 . . . . 24 GLU CG . 6884 1 299 . 1 1 24 24 GLU N N 15 119.600 0.3 . 1 . . . . 24 GLU N . 6884 1 300 . 1 1 25 25 ALA H H 1 8.370 0.03 . 1 . . . . 25 ALA HN . 6884 1 301 . 1 1 25 25 ALA HA H 1 3.240 0.03 . 1 . . . . 25 ALA HA . 6884 1 302 . 1 1 25 25 ALA HB1 H 1 0.020 0.03 . 1 . . . . 25 ALA HB1 . 6884 1 303 . 1 1 25 25 ALA HB2 H 1 0.020 0.03 . 1 . . . . 25 ALA HB1 . 6884 1 304 . 1 1 25 25 ALA HB3 H 1 0.020 0.03 . 1 . . . . 25 ALA HB1 . 6884 1 305 . 1 1 25 25 ALA C C 13 179.080 0.3 . 1 . . . . 25 ALA C . 6884 1 306 . 1 1 25 25 ALA CA C 13 54.840 0.3 . 1 . . . . 25 ALA CA . 6884 1 307 . 1 1 25 25 ALA CB C 13 16.780 0.3 . 1 . . . . 25 ALA CB . 6884 1 308 . 1 1 25 25 ALA N N 15 124.950 0.3 . 1 . . . . 25 ALA N . 6884 1 309 . 1 1 26 26 ASP H H 1 8.670 0.03 . 1 . . . . 26 ASP HN . 6884 1 310 . 1 1 26 26 ASP HA H 1 4.580 0.03 . 1 . . . . 26 ASP HA . 6884 1 311 . 1 1 26 26 ASP HB2 H 1 2.560 0.03 . 2 . . . . 26 ASP HB1 . 6884 1 312 . 1 1 26 26 ASP HB3 H 1 2.720 0.03 . 2 . . . . 26 ASP HB2 . 6884 1 313 . 1 1 26 26 ASP C C 13 180.570 0.3 . 1 . . . . 26 ASP C . 6884 1 314 . 1 1 26 26 ASP CA C 13 57.250 0.3 . 1 . . . . 26 ASP CA . 6884 1 315 . 1 1 26 26 ASP CB C 13 40.090 0.3 . 1 . . . . 26 ASP CB . 6884 1 316 . 1 1 26 26 ASP N N 15 121.580 0.3 . 1 . . . . 26 ASP N . 6884 1 317 . 1 1 27 27 LYS H H 1 7.770 0.03 . 1 . . . . 27 LYS HN . 6884 1 318 . 1 1 27 27 LYS HA H 1 4.040 0.03 . 1 . . . . 27 LYS HA . 6884 1 319 . 1 1 27 27 LYS HB2 H 1 1.820 0.03 . 1 . . . . 27 LYS HB1 . 6884 1 320 . 1 1 27 27 LYS HB3 H 1 1.820 0.03 . 1 . . . . 27 LYS HB2 . 6884 1 321 . 1 1 27 27 LYS HG2 H 1 1.390 0.03 . 1 . . . . 27 LYS HG1 . 6884 1 322 . 1 1 27 27 LYS HG3 H 1 1.390 0.03 . 1 . . . . 27 LYS HG2 . 6884 1 323 . 1 1 27 27 LYS HD2 H 1 1.610 0.03 . 1 . . . . 27 LYS HD1 . 6884 1 324 . 1 1 27 27 LYS HD3 H 1 1.610 0.03 . 1 . . . . 27 LYS HD2 . 6884 1 325 . 1 1 27 27 LYS HE2 H 1 2.850 0.03 . 2 . . . . 27 LYS HE1 . 6884 1 326 . 1 1 27 27 LYS HE3 H 1 2.740 0.03 . 2 . . . . 27 LYS HE2 . 6884 1 327 . 1 1 27 27 LYS C C 13 181.260 0.3 . 1 . . . . 27 LYS C . 6884 1 328 . 1 1 27 27 LYS CA C 13 59.330 0.3 . 1 . . . . 27 LYS CA . 6884 1 329 . 1 1 27 27 LYS CB C 13 32.720 0.3 . 1 . . . . 27 LYS CB . 6884 1 330 . 1 1 27 27 LYS CG C 13 25.070 0.3 . 1 . . . . 27 LYS CG . 6884 1 331 . 1 1 27 27 LYS CD C 13 29.780 0.3 . 1 . . . . 27 LYS CD . 6884 1 332 . 1 1 27 27 LYS CE C 13 41.890 0.3 . 1 . . . . 27 LYS CE . 6884 1 333 . 1 1 27 27 LYS N N 15 120.020 0.3 . 1 . . . . 27 LYS N . 6884 1 334 . 1 1 28 28 ARG H H 1 6.740 0.03 . 1 . . . . 28 ARG HN . 6884 1 335 . 1 1 28 28 ARG HA H 1 4.280 0.03 . 1 . . . . 28 ARG HA . 6884 1 336 . 1 1 28 28 ARG HB2 H 1 1.130 0.03 . 2 . . . . 28 ARG HB1 . 6884 1 337 . 1 1 28 28 ARG HB3 H 1 1.980 0.03 . 2 . . . . 28 ARG HB2 . 6884 1 338 . 1 1 28 28 ARG HG2 H 1 1.870 0.03 . 2 . . . . 28 ARG HG1 . 6884 1 339 . 1 1 28 28 ARG HG3 H 1 1.940 0.03 . 2 . . . . 28 ARG HG2 . 6884 1 340 . 1 1 28 28 ARG C C 13 177.320 0.3 . 1 . . . . 28 ARG C . 6884 1 341 . 1 1 28 28 ARG CA C 13 55.130 0.3 . 1 . . . . 28 ARG CA . 6884 1 342 . 1 1 28 28 ARG CB C 13 31.670 0.3 . 1 . . . . 28 ARG CB . 6884 1 343 . 1 1 28 28 ARG CG C 13 29.310 0.3 . 1 . . . . 28 ARG CG . 6884 1 344 . 1 1 28 28 ARG N N 15 117.030 0.3 . 1 . . . . 28 ARG N . 6884 1 345 . 1 1 29 29 LYS H H 1 7.750 0.03 . 1 . . . . 29 LYS HN . 6884 1 346 . 1 1 29 29 LYS HA H 1 3.960 0.03 . 1 . . . . 29 LYS HA . 6884 1 347 . 1 1 29 29 LYS HB2 H 1 1.960 0.03 . 1 . . . . 29 LYS HB1 . 6884 1 348 . 1 1 29 29 LYS HB3 H 1 1.960 0.03 . 1 . . . . 29 LYS HB2 . 6884 1 349 . 1 1 29 29 LYS HG2 H 1 1.870 0.03 . 2 . . . . 29 LYS HG1 . 6884 1 350 . 1 1 29 29 LYS HG3 H 1 1.940 0.03 . 2 . . . . 29 LYS HG2 . 6884 1 351 . 1 1 29 29 LYS HD2 H 1 1.720 0.03 . 2 . . . . 29 LYS HD1 . 6884 1 352 . 1 1 29 29 LYS HD3 H 1 1.650 0.03 . 2 . . . . 29 LYS HD2 . 6884 1 353 . 1 1 29 29 LYS HE2 H 1 3.010 0.03 . 1 . . . . 29 LYS HE1 . 6884 1 354 . 1 1 29 29 LYS HE3 H 1 3.010 0.03 . 1 . . . . 29 LYS HE2 . 6884 1 355 . 1 1 29 29 LYS C C 13 173.470 0.3 . 1 . . . . 29 LYS C . 6884 1 356 . 1 1 29 29 LYS CA C 13 57.030 0.3 . 1 . . . . 29 LYS CA . 6884 1 357 . 1 1 29 29 LYS CB C 13 28.860 0.3 . 1 . . . . 29 LYS CB . 6884 1 358 . 1 1 29 29 LYS CG C 13 25.03 0.3 . 1 . . . . 29 LYS CG . 6884 1 359 . 1 1 29 29 LYS CD C 13 28.89 0.3 . 1 . . . . 29 LYS CD . 6884 1 360 . 1 1 29 29 LYS CE C 13 42.400 0.3 . 1 . . . . 29 LYS CE . 6884 1 361 . 1 1 29 29 LYS N N 15 116.290 0.3 . 1 . . . . 29 LYS N . 6884 1 362 . 1 1 30 30 LEU H H 1 7.600 0.03 . 1 . . . . 30 LEU HN . 6884 1 363 . 1 1 30 30 LEU HA H 1 4.390 0.03 . 1 . . . . 30 LEU HA . 6884 1 364 . 1 1 30 30 LEU HB2 H 1 0.810 0.03 . 2 . . . . 30 LEU HB1 . 6884 1 365 . 1 1 30 30 LEU HB3 H 1 1.060 0.03 . 2 . . . . 30 LEU HB2 . 6884 1 366 . 1 1 30 30 LEU HG H 1 1.310 0.03 . 1 . . . . 30 LEU HG . 6884 1 367 . 1 1 30 30 LEU HD11 H 1 -0.060 0.03 . 2 . . . . 30 LEU HD11 . 6884 1 368 . 1 1 30 30 LEU HD12 H 1 -0.060 0.03 . 2 . . . . 30 LEU HD11 . 6884 1 369 . 1 1 30 30 LEU HD13 H 1 -0.060 0.03 . 2 . . . . 30 LEU HD11 . 6884 1 370 . 1 1 30 30 LEU HD21 H 1 0.540 0.03 . 2 . . . . 30 LEU HD21 . 6884 1 371 . 1 1 30 30 LEU HD22 H 1 0.540 0.03 . 2 . . . . 30 LEU HD21 . 6884 1 372 . 1 1 30 30 LEU HD23 H 1 0.540 0.03 . 2 . . . . 30 LEU HD21 . 6884 1 373 . 1 1 30 30 LEU C C 13 175.840 0.3 . 1 . . . . 30 LEU C . 6884 1 374 . 1 1 30 30 LEU CA C 13 53.960 0.3 . 1 . . . . 30 LEU CA . 6884 1 375 . 1 1 30 30 LEU CB C 13 43.330 0.3 . 1 . . . . 30 LEU CB . 6884 1 376 . 1 1 30 30 LEU CG C 13 25.820 0.3 . 1 . . . . 30 LEU CG . 6884 1 377 . 1 1 30 30 LEU CD1 C 13 25.980 0.3 . 1 . . . . 30 LEU CD1 . 6884 1 378 . 1 1 30 30 LEU CD2 C 13 23.100 0.3 . 1 . . . . 30 LEU CD2 . 6884 1 379 . 1 1 30 30 LEU N N 15 117.400 0.3 . 1 . . . . 30 LEU N . 6884 1 380 . 1 1 31 31 ALA H H 1 7.790 0.03 . 1 . . . . 31 ALA HN . 6884 1 381 . 1 1 31 31 ALA HA H 1 4.550 0.03 . 1 . . . . 31 ALA HA . 6884 1 382 . 1 1 31 31 ALA HB1 H 1 1.190 0.03 . 1 . . . . 31 ALA HB1 . 6884 1 383 . 1 1 31 31 ALA HB2 H 1 1.190 0.03 . 1 . . . . 31 ALA HB1 . 6884 1 384 . 1 1 31 31 ALA HB3 H 1 1.190 0.03 . 1 . . . . 31 ALA HB1 . 6884 1 385 . 1 1 31 31 ALA C C 13 175.200 0.3 . 1 . . . . 31 ALA C . 6884 1 386 . 1 1 31 31 ALA CA C 13 50.050 0.3 . 1 . . . . 31 ALA CA . 6884 1 387 . 1 1 31 31 ALA CB C 13 23.350 0.3 . 1 . . . . 31 ALA CB . 6884 1 388 . 1 1 31 31 ALA N N 15 121.810 0.3 . 1 . . . . 31 ALA N . 6884 1 389 . 1 1 32 32 GLY H H 1 8.800 0.03 . 1 . . . . 32 GLY HN . 6884 1 390 . 1 1 32 32 GLY HA2 H 1 2.480 0.03 . 2 . . . . 32 GLY HA1 . 6884 1 391 . 1 1 32 32 GLY HA3 H 1 5.130 0.03 . 2 . . . . 32 GLY HA2 . 6884 1 392 . 1 1 32 32 GLY C C 13 175.790 0.3 . 1 . . . . 32 GLY C . 6884 1 393 . 1 1 32 32 GLY CA C 13 43.840 0.3 . 1 . . . . 32 GLY CA . 6884 1 394 . 1 1 32 32 GLY N N 15 107.820 0.3 . 1 . . . . 32 GLY N . 6884 1 395 . 1 1 33 33 TRP H H 1 8.730 0.03 . 1 . . . . 33 TRP HN . 6884 1 396 . 1 1 33 33 TRP HA H 1 4.840 0.03 . 1 . . . . 33 TRP HA . 6884 1 397 . 1 1 33 33 TRP HB2 H 1 2.910 0.03 . 2 . . . . 33 TRP HB1 . 6884 1 398 . 1 1 33 33 TRP HB3 H 1 3.150 0.03 . 2 . . . . 33 TRP HB2 . 6884 1 399 . 1 1 33 33 TRP HD1 H 1 6.990 0.03 . 1 . . . . 33 TRP HD1 . 6884 1 400 . 1 1 33 33 TRP HE1 H 1 10.490 0.03 . 1 . . . . 33 TRP HE1 . 6884 1 401 . 1 1 33 33 TRP HZ2 H 1 6.340 0.03 . 1 . . . . 33 TRP HZ2 . 6884 1 402 . 1 1 33 33 TRP HH2 H 1 7.420 0.03 . 1 . . . . 33 TRP HH2 . 6884 1 403 . 1 1 33 33 TRP C C 13 175.690 0.3 . 1 . . . . 33 TRP C . 6884 1 404 . 1 1 33 33 TRP CA C 13 54.360 0.3 . 1 . . . . 33 TRP CA . 6884 1 405 . 1 1 33 33 TRP CB C 13 32.370 0.3 . 1 . . . . 33 TRP CB . 6884 1 406 . 1 1 33 33 TRP N N 15 122.950 0.3 . 1 . . . . 33 TRP N . 6884 1 407 . 1 1 34 34 VAL H H 1 8.020 0.03 . 1 . . . . 34 VAL HN . 6884 1 408 . 1 1 34 34 VAL HA H 1 5.690 0.03 . 1 . . . . 34 VAL HA . 6884 1 409 . 1 1 34 34 VAL HB H 1 2.270 0.03 . 1 . . . . 34 VAL HB . 6884 1 410 . 1 1 34 34 VAL HG11 H 1 1.170 0.03 . 2 . . . . 34 VAL HG11 . 6884 1 411 . 1 1 34 34 VAL HG12 H 1 1.170 0.03 . 2 . . . . 34 VAL HG11 . 6884 1 412 . 1 1 34 34 VAL HG13 H 1 1.170 0.03 . 2 . . . . 34 VAL HG11 . 6884 1 413 . 1 1 34 34 VAL HG21 H 1 1.270 0.03 . 2 . . . . 34 VAL HG21 . 6884 1 414 . 1 1 34 34 VAL HG22 H 1 1.270 0.03 . 2 . . . . 34 VAL HG21 . 6884 1 415 . 1 1 34 34 VAL HG23 H 1 1.270 0.03 . 2 . . . . 34 VAL HG21 . 6884 1 416 . 1 1 34 34 VAL C C 13 174.460 0.3 . 1 . . . . 34 VAL C . 6884 1 417 . 1 1 34 34 VAL CA C 13 59.080 0.3 . 1 . . . . 34 VAL CA . 6884 1 418 . 1 1 34 34 VAL CB C 13 35.080 0.3 . 1 . . . . 34 VAL CB . 6884 1 419 . 1 1 34 34 VAL CG1 C 13 24.030 0.3 . 1 . . . . 34 VAL CG1 . 6884 1 420 . 1 1 34 34 VAL CG2 C 13 21.170 0.3 . 1 . . . . 34 VAL CG2 . 6884 1 421 . 1 1 34 34 VAL N N 15 115.630 0.3 . 1 . . . . 34 VAL N . 6884 1 422 . 1 1 35 35 LYS H H 1 9.510 0.03 . 1 . . . . 35 LYS HN . 6884 1 423 . 1 1 35 35 LYS HA H 1 4.920 0.03 . 1 . . . . 35 LYS HA . 6884 1 424 . 1 1 35 35 LYS HB2 H 1 1.670 0.03 . 2 . . . . 35 LYS HB1 . 6884 1 425 . 1 1 35 35 LYS HB3 H 1 1.770 0.03 . 2 . . . . 35 LYS HB2 . 6884 1 426 . 1 1 35 35 LYS HG2 H 1 1.100 0.03 . 2 . . . . 35 LYS HG1 . 6884 1 427 . 1 1 35 35 LYS HG3 H 1 1.500 0.03 . 2 . . . . 35 LYS HG2 . 6884 1 428 . 1 1 35 35 LYS HD2 H 1 1.180 0.03 . 2 . . . . 35 LYS HD1 . 6884 1 429 . 1 1 35 35 LYS HD3 H 1 1.280 0.03 . 2 . . . . 35 LYS HD2 . 6884 1 430 . 1 1 35 35 LYS HE2 H 1 2.570 0.03 . 2 . . . . 35 LYS HE1 . 6884 1 431 . 1 1 35 35 LYS HE3 H 1 2.440 0.03 . 2 . . . . 35 LYS HE2 . 6884 1 432 . 1 1 35 35 LYS C C 13 171.31 0.3 . 1 . . . . 35 LYS C . 6884 1 433 . 1 1 35 35 LYS CA C 13 54.800 0.3 . 1 . . . . 35 LYS CA . 6884 1 434 . 1 1 35 35 LYS CB C 13 38.330 0.3 . 1 . . . . 35 LYS CB . 6884 1 435 . 1 1 35 35 LYS CG C 13 24.260 0.3 . 1 . . . . 35 LYS CG . 6884 1 436 . 1 1 35 35 LYS CD C 13 29.690 0.3 . 1 . . . . 35 LYS CD . 6884 1 437 . 1 1 35 35 LYS CE C 13 42.050 0.3 . 1 . . . . 35 LYS CE . 6884 1 438 . 1 1 35 35 LYS N N 15 125.920 0.3 . 1 . . . . 35 LYS N . 6884 1 439 . 1 1 36 36 ASN H H 1 9.200 0.03 . 1 . . . . 36 ASN HN . 6884 1 440 . 1 1 36 36 ASN HA H 1 5.090 0.03 . 1 . . . . 36 ASN HA . 6884 1 441 . 1 1 36 36 ASN HB2 H 1 2.740 0.03 . 2 . . . . 36 ASN HB1 . 6884 1 442 . 1 1 36 36 ASN HB3 H 1 2.840 0.03 . 2 . . . . 36 ASN HB2 . 6884 1 443 . 1 1 36 36 ASN HD21 H 1 7.910 0.03 . 2 . . . . 36 ASN HD21 . 6884 1 444 . 1 1 36 36 ASN HD22 H 1 7.560 0.03 . 2 . . . . 36 ASN HD22 . 6884 1 445 . 1 1 36 36 ASN C C 13 174.210 0.3 . 1 . . . . 36 ASN C . 6884 1 446 . 1 1 36 36 ASN CA C 13 52.610 0.3 . 1 . . . . 36 ASN CA . 6884 1 447 . 1 1 36 36 ASN CB C 13 38.070 0.3 . 1 . . . . 36 ASN CB . 6884 1 448 . 1 1 36 36 ASN N N 15 123.310 0.3 . 1 . . . . 36 ASN N . 6884 1 449 . 1 1 36 36 ASN ND2 N 15 109.770 0.3 . 1 . . . . 36 ASN ND2 . 6884 1 450 . 1 1 37 37 ARG H H 1 8.270 0.03 . 1 . . . . 37 ARG HN . 6884 1 451 . 1 1 37 37 ARG HA H 1 4.600 0.03 . 1 . . . . 37 ARG HA . 6884 1 452 . 1 1 37 37 ARG HB2 H 1 1.940 0.03 . 2 . . . . 37 ARG HB1 . 6884 1 453 . 1 1 37 37 ARG HB3 H 1 2.180 0.03 . 2 . . . . 37 ARG HB2 . 6884 1 454 . 1 1 37 37 ARG HG2 H 1 1.490 0.03 . 2 . . . . 37 ARG HG1 . 6884 1 455 . 1 1 37 37 ARG HG3 H 1 1.780 0.03 . 2 . . . . 37 ARG HG2 . 6884 1 456 . 1 1 37 37 ARG HD2 H 1 2.980 0.03 . 2 . . . . 37 ARG HD1 . 6884 1 457 . 1 1 37 37 ARG HD3 H 1 3.700 0.03 . 2 . . . . 37 ARG HD2 . 6884 1 458 . 1 1 37 37 ARG HE H 1 6.320 0.03 . 1 . . . . 37 ARG HE . 6884 1 459 . 1 1 37 37 ARG C C 13 176.080 0.3 . 1 . . . . 37 ARG C . 6884 1 460 . 1 1 37 37 ARG CA C 13 55.310 0.3 . 1 . . . . 37 ARG CA . 6884 1 461 . 1 1 37 37 ARG CB C 13 33.580 0.3 . 1 . . . . 37 ARG CB . 6884 1 462 . 1 1 37 37 ARG CG C 13 27.690 0.3 . 1 . . . . 37 ARG CG . 6884 1 463 . 1 1 37 37 ARG CD C 13 44.050 0.3 . 1 . . . . 37 ARG CD . 6884 1 464 . 1 1 37 37 ARG N N 15 122.140 0.3 . 1 . . . . 37 ARG N . 6884 1 465 . 1 1 38 38 ASP H H 1 8.920 0.03 . 1 . . . . 38 ASP HN . 6884 1 466 . 1 1 38 38 ASP HA H 1 4.530 0.03 . 1 . . . . 38 ASP HA . 6884 1 467 . 1 1 38 38 ASP HB2 H 1 2.800 0.03 . 1 . . . . 38 ASP HB1 . 6884 1 468 . 1 1 38 38 ASP HB3 H 1 2.800 0.03 . 1 . . . . 38 ASP HB2 . 6884 1 469 . 1 1 38 38 ASP C C 13 178.500 0.3 . 1 . . . . 38 ASP C . 6884 1 470 . 1 1 38 38 ASP CA C 13 56.010 0.3 . 1 . . . . 38 ASP CA . 6884 1 471 . 1 1 38 38 ASP CB C 13 40.170 0.3 . 1 . . . . 38 ASP CB . 6884 1 472 . 1 1 38 38 ASP N N 15 122.300 0.3 . 1 . . . . 38 ASP N . 6884 1 473 . 1 1 39 39 ASP H H 1 7.740 0.03 . 1 . . . . 39 ASP HN . 6884 1 474 . 1 1 39 39 ASP HA H 1 4.620 0.03 . 1 . . . . 39 ASP HA . 6884 1 475 . 1 1 39 39 ASP HB2 H 1 2.650 0.03 . 2 . . . . 39 ASP HB1 . 6884 1 476 . 1 1 39 39 ASP HB3 H 1 3.160 0.03 . 2 . . . . 39 ASP HB2 . 6884 1 477 . 1 1 39 39 ASP C C 13 176.230 0.3 . 1 . . . . 39 ASP C . 6884 1 478 . 1 1 39 39 ASP CA C 13 52.970 0.3 . 1 . . . . 39 ASP CA . 6884 1 479 . 1 1 39 39 ASP CB C 13 40.100 0.3 . 1 . . . . 39 ASP CB . 6884 1 480 . 1 1 39 39 ASP N N 15 117.280 0.3 . 1 . . . . 39 ASP N . 6884 1 481 . 1 1 40 40 GLY H H 1 7.730 0.03 . 1 . . . . 40 GLY HN . 6884 1 482 . 1 1 40 40 GLY HA2 H 1 3.540 0.03 . 2 . . . . 40 GLY HA1 . 6884 1 483 . 1 1 40 40 GLY HA3 H 1 4.460 0.03 . 2 . . . . 40 GLY HA2 . 6884 1 484 . 1 1 40 40 GLY C C 13 176.97 0.3 . 1 . . . . 40 GLY C . 6884 1 485 . 1 1 40 40 GLY CA C 13 45.440 0.3 . 1 . . . . 40 GLY CA . 6884 1 486 . 1 1 40 40 GLY N N 15 107.990 0.3 . 1 . . . . 40 GLY N . 6884 1 487 . 1 1 41 41 ARG H H 1 7.410 0.03 . 1 . . . . 41 ARG HN . 6884 1 488 . 1 1 41 41 ARG HA H 1 4.740 0.03 . 1 . . . . 41 ARG HA . 6884 1 489 . 1 1 41 41 ARG HB2 H 1 1.820 0.03 . 1 . . . . 41 ARG HB1 . 6884 1 490 . 1 1 41 41 ARG HB3 H 1 1.820 0.03 . 1 . . . . 41 ARG HB2 . 6884 1 491 . 1 1 41 41 ARG HG2 H 1 1.510 0.03 . 2 . . . . 41 ARG HG1 . 6884 1 492 . 1 1 41 41 ARG HG3 H 1 1.590 0.03 . 2 . . . . 41 ARG HG2 . 6884 1 493 . 1 1 41 41 ARG HD2 H 1 2.970 0.03 . 1 . . . . 41 ARG HD1 . 6884 1 494 . 1 1 41 41 ARG HD3 H 1 2.970 0.03 . 1 . . . . 41 ARG HD2 . 6884 1 495 . 1 1 41 41 ARG C C 13 174.160 0.3 . 1 . . . . 41 ARG C . 6884 1 496 . 1 1 41 41 ARG CA C 13 56.090 0.3 . 1 . . . . 41 ARG CA . 6884 1 497 . 1 1 41 41 ARG CB C 13 32.110 0.3 . 1 . . . . 41 ARG CB . 6884 1 498 . 1 1 41 41 ARG CG C 13 28.750 0.3 . 1 . . . . 41 ARG CG . 6884 1 499 . 1 1 41 41 ARG CD C 13 43.890 0.3 . 1 . . . . 41 ARG CD . 6884 1 500 . 1 1 41 41 ARG N N 15 118.560 0.3 . 1 . . . . 41 ARG N . 6884 1 501 . 1 1 42 42 VAL H H 1 8.750 0.03 . 1 . . . . 42 VAL HN . 6884 1 502 . 1 1 42 42 VAL HA H 1 4.800 0.03 . 1 . . . . 42 VAL HA . 6884 1 503 . 1 1 42 42 VAL HB H 1 1.750 0.03 . 1 . . . . 42 VAL HB . 6884 1 504 . 1 1 42 42 VAL HG11 H 1 1.120 0.03 . 2 . . . . 42 VAL HG11 . 6884 1 505 . 1 1 42 42 VAL HG12 H 1 1.120 0.03 . 2 . . . . 42 VAL HG11 . 6884 1 506 . 1 1 42 42 VAL HG13 H 1 1.120 0.03 . 2 . . . . 42 VAL HG11 . 6884 1 507 . 1 1 42 42 VAL HG21 H 1 1.150 0.03 . 2 . . . . 42 VAL HG21 . 6884 1 508 . 1 1 42 42 VAL HG22 H 1 1.150 0.03 . 2 . . . . 42 VAL HG21 . 6884 1 509 . 1 1 42 42 VAL HG23 H 1 1.150 0.03 . 2 . . . . 42 VAL HG21 . 6884 1 510 . 1 1 42 42 VAL C C 13 171.410 0.3 . 1 . . . . 42 VAL C . 6884 1 511 . 1 1 42 42 VAL CA C 13 61.930 0.3 . 1 . . . . 42 VAL CA . 6884 1 512 . 1 1 42 42 VAL CB C 13 35.530 0.3 . 1 . . . . 42 VAL CB . 6884 1 513 . 1 1 42 42 VAL CG1 C 13 21.680 0.3 . 1 . . . . 42 VAL CG1 . 6884 1 514 . 1 1 42 42 VAL CG2 C 13 22.660 0.3 . 1 . . . . 42 VAL CG2 . 6884 1 515 . 1 1 42 42 VAL N N 15 123.010 0.3 . 1 . . . . 42 VAL N . 6884 1 516 . 1 1 43 43 GLU H H 1 9.120 0.03 . 1 . . . . 43 GLU HN . 6884 1 517 . 1 1 43 43 GLU HA H 1 5.530 0.03 . 1 . . . . 43 GLU HA . 6884 1 518 . 1 1 43 43 GLU HB2 H 1 2.000 0.03 . 2 . . . . 43 GLU HB1 . 6884 1 519 . 1 1 43 43 GLU HB3 H 1 2.130 0.03 . 2 . . . . 43 GLU HB2 . 6884 1 520 . 1 1 43 43 GLU HG2 H 1 2.390 0.03 . 2 . . . . 43 GLU HG1 . 6884 1 521 . 1 1 43 43 GLU HG3 H 1 2.300 0.03 . 2 . . . . 43 GLU HG2 . 6884 1 522 . 1 1 43 43 GLU C C 13 173.42 0.3 . 1 . . . . 43 GLU C . 6884 1 523 . 1 1 43 43 GLU CA C 13 54.980 0.3 . 1 . . . . 43 GLU CA . 6884 1 524 . 1 1 43 43 GLU CB C 13 34.210 0.3 . 1 . . . . 43 GLU CB . 6884 1 525 . 1 1 43 43 GLU CG C 13 36.060 0.3 . 1 . . . . 43 GLU CG . 6884 1 526 . 1 1 43 43 GLU N N 15 129.750 0.3 . 1 . . . . 43 GLU N . 6884 1 527 . 1 1 44 44 ILE H H 1 9.530 0.03 . 1 . . . . 44 ILE HN . 6884 1 528 . 1 1 44 44 ILE HA H 1 4.920 0.03 . 1 . . . . 44 ILE HA . 6884 1 529 . 1 1 44 44 ILE HB H 1 1.860 0.03 . 1 . . . . 44 ILE HB . 6884 1 530 . 1 1 44 44 ILE HG12 H 1 1.130 0.03 . 1 . . . . 44 ILE HG11 . 6884 1 531 . 1 1 44 44 ILE HG13 H 1 1.130 0.03 . 1 . . . . 44 ILE HG12 . 6884 1 532 . 1 1 44 44 ILE HG21 H 1 1.150 0.03 . 1 . . . . 44 ILE HG21 . 6884 1 533 . 1 1 44 44 ILE HG22 H 1 1.150 0.03 . 1 . . . . 44 ILE HG21 . 6884 1 534 . 1 1 44 44 ILE HG23 H 1 1.150 0.03 . 1 . . . . 44 ILE HG21 . 6884 1 535 . 1 1 44 44 ILE HD11 H 1 0.920 0.03 . 1 . . . . 44 ILE HD11 . 6884 1 536 . 1 1 44 44 ILE HD12 H 1 0.920 0.03 . 1 . . . . 44 ILE HD11 . 6884 1 537 . 1 1 44 44 ILE HD13 H 1 0.920 0.03 . 1 . . . . 44 ILE HD11 . 6884 1 538 . 1 1 44 44 ILE C C 13 173.740 0.3 . 1 . . . . 44 ILE C . 6884 1 539 . 1 1 44 44 ILE CA C 13 59.080 0.3 . 1 . . . . 44 ILE CA . 6884 1 540 . 1 1 44 44 ILE CB C 13 42.690 0.3 . 1 . . . . 44 ILE CB . 6884 1 541 . 1 1 44 44 ILE CG1 C 13 28.350 0.3 . 1 . . . . 44 ILE CG1 . 6884 1 542 . 1 1 44 44 ILE CG2 C 13 18.180 0.3 . 1 . . . . 44 ILE CG2 . 6884 1 543 . 1 1 44 44 ILE CD1 C 13 16.000 0.3 . 1 . . . . 44 ILE CD1 . 6884 1 544 . 1 1 44 44 ILE N N 15 126.610 0.3 . 1 . . . . 44 ILE N . 6884 1 545 . 1 1 45 45 LEU H H 1 8.380 0.03 . 1 . . . . 45 LEU HN . 6884 1 546 . 1 1 45 45 LEU HA H 1 4.790 0.03 . 1 . . . . 45 LEU HA . 6884 1 547 . 1 1 45 45 LEU HB2 H 1 -0.380 0.03 . 2 . . . . 45 LEU HB1 . 6884 1 548 . 1 1 45 45 LEU HB3 H 1 -0.110 0.03 . 2 . . . . 45 LEU HB2 . 6884 1 549 . 1 1 45 45 LEU HG H 1 1.140 0.03 . 1 . . . . 45 LEU HG . 6884 1 550 . 1 1 45 45 LEU HD11 H 1 0.580 0.03 . 2 . . . . 45 LEU HD11 . 6884 1 551 . 1 1 45 45 LEU HD12 H 1 0.580 0.03 . 2 . . . . 45 LEU HD11 . 6884 1 552 . 1 1 45 45 LEU HD13 H 1 0.580 0.03 . 2 . . . . 45 LEU HD11 . 6884 1 553 . 1 1 45 45 LEU HD21 H 1 0.760 0.03 . 2 . . . . 45 LEU HD21 . 6884 1 554 . 1 1 45 45 LEU HD22 H 1 0.760 0.03 . 2 . . . . 45 LEU HD21 . 6884 1 555 . 1 1 45 45 LEU HD23 H 1 0.760 0.03 . 2 . . . . 45 LEU HD21 . 6884 1 556 . 1 1 45 45 LEU C C 13 173.030 0.3 . 1 . . . . 45 LEU C . 6884 1 557 . 1 1 45 45 LEU CA C 13 53.340 0.3 . 1 . . . . 45 LEU CA . 6884 1 558 . 1 1 45 45 LEU CB C 13 42.980 0.3 . 1 . . . . 45 LEU CB . 6884 1 559 . 1 1 45 45 LEU CG C 13 27.890 0.3 . 1 . . . . 45 LEU CG . 6884 1 560 . 1 1 45 45 LEU CD1 C 13 24.830 0.3 . 1 . . . . 45 LEU CD1 . 6884 1 561 . 1 1 45 45 LEU CD2 C 13 25.100 0.3 . 1 . . . . 45 LEU CD2 . 6884 1 562 . 1 1 45 45 LEU N N 15 131.700 0.3 . 1 . . . . 45 LEU N . 6884 1 563 . 1 1 46 46 ALA C C 13 174.510 0.3 . 1 . . . . 46 ALA C . 6884 1 564 . 1 1 46 46 ALA CA C 13 49.970 0.3 . 1 . . . . 46 ALA CA . 6884 1 565 . 1 1 46 46 ALA CB C 13 22.990 0.3 . 1 . . . . 46 ALA CB . 6884 1 566 . 1 1 47 47 GLU H H 1 9.330 0.03 . 1 . . . . 47 GLU HN . 6884 1 567 . 1 1 47 47 GLU HA H 1 5.570 0.03 . 1 . . . . 47 GLU HA . 6884 1 568 . 1 1 47 47 GLU HB2 H 1 1.860 0.03 . 1 . . . . 47 GLU HB1 . 6884 1 569 . 1 1 47 47 GLU HB3 H 1 1.860 0.03 . 1 . . . . 47 GLU HB2 . 6884 1 570 . 1 1 47 47 GLU C C 13 177.410 0.3 . 1 . . . . 47 GLU C . 6884 1 571 . 1 1 47 47 GLU CA C 13 54.290 0.3 . 1 . . . . 47 GLU CA . 6884 1 572 . 1 1 47 47 GLU CB C 13 33.050 0.3 . 1 . . . . 47 GLU CB . 6884 1 573 . 1 1 47 47 GLU N N 15 120.560 0.3 . 1 . . . . 47 GLU N . 6884 1 574 . 1 1 48 48 GLY H H 1 8.540 0.03 . 1 . . . . 48 GLY HN . 6884 1 575 . 1 1 48 48 GLY HA2 H 1 4.210 0.03 . 1 . . . . 48 GLY HA1 . 6884 1 576 . 1 1 48 48 GLY HA3 H 1 4.210 0.03 . 1 . . . . 48 GLY HA2 . 6884 1 577 . 1 1 48 48 GLY C C 13 176.430 0.3 . 1 . . . . 48 GLY C . 6884 1 578 . 1 1 48 48 GLY CA C 13 45.720 0.3 . 1 . . . . 48 GLY CA . 6884 1 579 . 1 1 48 48 GLY N N 15 109.870 0.3 . 1 . . . . 48 GLY N . 6884 1 580 . 1 1 49 49 PRO HA H 1 4.510 0.03 . 1 . . . . 49 PRO HA . 6884 1 581 . 1 1 49 49 PRO HB2 H 1 2.060 0.03 . 2 . . . . 49 PRO HB1 . 6884 1 582 . 1 1 49 49 PRO HB3 H 1 2.510 0.03 . 2 . . . . 49 PRO HB2 . 6884 1 583 . 1 1 49 49 PRO HG2 H 1 2.050 0.03 . 2 . . . . 49 PRO HG1 . 6884 1 584 . 1 1 49 49 PRO HG3 H 1 2.170 0.03 . 2 . . . . 49 PRO HG2 . 6884 1 585 . 1 1 49 49 PRO HD2 H 1 3.410 0.03 . 2 . . . . 49 PRO HD1 . 6884 1 586 . 1 1 49 49 PRO HD3 H 1 3.700 0.03 . 2 . . . . 49 PRO HD2 . 6884 1 587 . 1 1 49 49 PRO CA C 13 62.810 0.3 . 1 . . . . 49 PRO CA . 6884 1 588 . 1 1 49 49 PRO CB C 13 32.630 0.3 . 1 . . . . 49 PRO CB . 6884 1 589 . 1 1 49 49 PRO CG C 13 27.830 0.3 . 1 . . . . 49 PRO CG . 6884 1 590 . 1 1 49 49 PRO CD C 13 49.940 0.3 . 1 . . . . 49 PRO CD . 6884 1 591 . 1 1 50 50 GLU H H 1 9.260 0.03 . 1 . . . . 50 GLU HN . 6884 1 592 . 1 1 50 50 GLU HA H 1 3.620 0.03 . 1 . . . . 50 GLU HA . 6884 1 593 . 1 1 50 50 GLU HB2 H 1 2.020 0.03 . 1 . . . . 50 GLU HB1 . 6884 1 594 . 1 1 50 50 GLU HB3 H 1 2.020 0.03 . 1 . . . . 50 GLU HB2 . 6884 1 595 . 1 1 50 50 GLU HG2 H 1 2.150 0.03 . 2 . . . . 50 GLU HG1 . 6884 1 596 . 1 1 50 50 GLU HG3 H 1 2.260 0.03 . 2 . . . . 50 GLU HG2 . 6884 1 597 . 1 1 50 50 GLU C C 13 177.290 0.3 . 1 . . . . 50 GLU C . 6884 1 598 . 1 1 50 50 GLU CA C 13 61.380 0.3 . 1 . . . . 50 GLU CA . 6884 1 599 . 1 1 50 50 GLU CB C 13 29.910 0.3 . 1 . . . . 50 GLU CB . 6884 1 600 . 1 1 50 50 GLU CG C 13 36.490 0.3 . 1 . . . . 50 GLU CG . 6884 1 601 . 1 1 50 50 GLU N N 15 124.760 0.3 . 1 . . . . 50 GLU N . 6884 1 602 . 1 1 51 51 ASN H H 1 8.930 0.03 . 1 . . . . 51 ASN HN . 6884 1 603 . 1 1 51 51 ASN HA H 1 4.420 0.03 . 1 . . . . 51 ASN HA . 6884 1 604 . 1 1 51 51 ASN HB2 H 1 2.850 0.03 . 1 . . . . 51 ASN HB1 . 6884 1 605 . 1 1 51 51 ASN HB3 H 1 2.850 0.03 . 1 . . . . 51 ASN HB2 . 6884 1 606 . 1 1 51 51 ASN HD21 H 1 7.700 0.03 . 2 . . . . 51 ASN HD21 . 6884 1 607 . 1 1 51 51 ASN HD22 H 1 6.900 0.03 . 2 . . . . 51 ASN HD22 . 6884 1 608 . 1 1 51 51 ASN C C 13 177.370 0.3 . 1 . . . . 51 ASN C . 6884 1 609 . 1 1 51 51 ASN CA C 13 56.550 0.3 . 1 . . . . 51 ASN CA . 6884 1 610 . 1 1 51 51 ASN CB C 13 36.970 0.3 . 1 . . . . 51 ASN CB . 6884 1 611 . 1 1 51 51 ASN N N 15 115.960 0.3 . 1 . . . . 51 ASN N . 6884 1 612 . 1 1 51 51 ASN ND2 N 15 109.770 0.3 . 1 . . . . 51 ASN ND2 . 6884 1 613 . 1 1 52 52 ALA H H 1 7.070 0.03 . 1 . . . . 52 ALA HN . 6884 1 614 . 1 1 52 52 ALA HA H 1 3.720 0.03 . 1 . . . . 52 ALA HA . 6884 1 615 . 1 1 52 52 ALA HB1 H 1 1.440 0.03 . 1 . . . . 52 ALA HB1 . 6884 1 616 . 1 1 52 52 ALA HB2 H 1 1.440 0.03 . 1 . . . . 52 ALA HB1 . 6884 1 617 . 1 1 52 52 ALA HB3 H 1 1.440 0.03 . 1 . . . . 52 ALA HB1 . 6884 1 618 . 1 1 52 52 ALA C C 13 177.810 0.3 . 1 . . . . 52 ALA C . 6884 1 619 . 1 1 52 52 ALA CA C 13 54.400 0.3 . 1 . . . . 52 ALA CA . 6884 1 620 . 1 1 52 52 ALA CB C 13 19.440 0.3 . 1 . . . . 52 ALA CB . 6884 1 621 . 1 1 52 52 ALA N N 15 125.040 0.3 . 1 . . . . 52 ALA N . 6884 1 622 . 1 1 53 53 LEU H H 1 8.040 0.03 . 1 . . . . 53 LEU HN . 6884 1 623 . 1 1 53 53 LEU HA H 1 3.720 0.03 . 1 . . . . 53 LEU HA . 6884 1 624 . 1 1 53 53 LEU HB2 H 1 0.600 0.03 . 2 . . . . 53 LEU HB1 . 6884 1 625 . 1 1 53 53 LEU HB3 H 1 1.430 0.03 . 2 . . . . 53 LEU HB2 . 6884 1 626 . 1 1 53 53 LEU HG H 1 1.040 0.03 . 1 . . . . 53 LEU HG . 6884 1 627 . 1 1 53 53 LEU HD11 H 1 0.280 0.03 . 2 . . . . 53 LEU HD11 . 6884 1 628 . 1 1 53 53 LEU HD12 H 1 0.280 0.03 . 2 . . . . 53 LEU HD11 . 6884 1 629 . 1 1 53 53 LEU HD13 H 1 0.280 0.03 . 2 . . . . 53 LEU HD11 . 6884 1 630 . 1 1 53 53 LEU HD21 H 1 0.120 0.03 . 2 . . . . 53 LEU HD21 . 6884 1 631 . 1 1 53 53 LEU HD22 H 1 0.120 0.03 . 2 . . . . 53 LEU HD21 . 6884 1 632 . 1 1 53 53 LEU HD23 H 1 0.120 0.03 . 2 . . . . 53 LEU HD21 . 6884 1 633 . 1 1 53 53 LEU C C 13 179.630 0.3 . 1 . . . . 53 LEU C . 6884 1 634 . 1 1 53 53 LEU CA C 13 58.130 0.3 . 1 . . . . 53 LEU CA . 6884 1 635 . 1 1 53 53 LEU CB C 13 40.980 0.3 . 1 . . . . 53 LEU CB . 6884 1 636 . 1 1 53 53 LEU CG C 13 25.500 0.3 . 1 . . . . 53 LEU CG . 6884 1 637 . 1 1 53 53 LEU CD1 C 13 24.260 0.3 . 1 . . . . 53 LEU CD1 . 6884 1 638 . 1 1 53 53 LEU CD2 C 13 26.600 0.3 . 1 . . . . 53 LEU CD2 . 6884 1 639 . 1 1 53 53 LEU N N 15 120.600 0.3 . 1 . . . . 53 LEU N . 6884 1 640 . 1 1 54 54 GLN H H 1 8.400 0.03 . 1 . . . . 54 GLN HN . 6884 1 641 . 1 1 54 54 GLN HA H 1 4.120 0.03 . 1 . . . . 54 GLN HA . 6884 1 642 . 1 1 54 54 GLN HB2 H 1 2.100 0.03 . 2 . . . . 54 GLN HB1 . 6884 1 643 . 1 1 54 54 GLN HB3 H 1 2.250 0.03 . 2 . . . . 54 GLN HB2 . 6884 1 644 . 1 1 54 54 GLN HG2 H 1 2.530 0.03 . 2 . . . . 54 GLN HG1 . 6884 1 645 . 1 1 54 54 GLN HG3 H 1 2.730 0.03 . 2 . . . . 54 GLN HG2 . 6884 1 646 . 1 1 54 54 GLN HE21 H 1 7.310 0.03 . 2 . . . . 54 GLN HE21 . 6884 1 647 . 1 1 54 54 GLN HE22 H 1 6.790 0.03 . 2 . . . . 54 GLN HE22 . 6884 1 648 . 1 1 54 54 GLN C C 13 179.160 0.3 . 1 . . . . 54 GLN C . 6884 1 649 . 1 1 54 54 GLN CA C 13 59.660 0.3 . 1 . . . . 54 GLN CA . 6884 1 650 . 1 1 54 54 GLN CB C 13 28.190 0.3 . 1 . . . . 54 GLN CB . 6884 1 651 . 1 1 54 54 GLN CG C 13 34.350 0.3 . 1 . . . . 54 GLN CG . 6884 1 652 . 1 1 54 54 GLN N N 15 118.390 0.3 . 1 . . . . 54 GLN N . 6884 1 653 . 1 1 54 54 GLN NE2 N 15 111.950 0.3 . 1 . . . . 54 GLN NE2 . 6884 1 654 . 1 1 55 55 SER H H 1 7.610 0.03 . 1 . . . . 55 SER HN . 6884 1 655 . 1 1 55 55 SER HA H 1 4.290 0.03 . 1 . . . . 55 SER HA . 6884 1 656 . 1 1 55 55 SER HB2 H 1 4.060 0.03 . 2 . . . . 55 SER HB1 . 6884 1 657 . 1 1 55 55 SER HB3 H 1 4.150 0.03 . 2 . . . . 55 SER HB2 . 6884 1 658 . 1 1 55 55 SER C C 13 179.260 0.3 . 1 . . . . 55 SER C . 6884 1 659 . 1 1 55 55 SER CA C 13 60.870 0.3 . 1 . . . . 55 SER CA . 6884 1 660 . 1 1 55 55 SER CB C 13 62.990 0.3 . 1 . . . . 55 SER CB . 6884 1 661 . 1 1 55 55 SER N N 15 114.800 0.3 . 1 . . . . 55 SER N . 6884 1 662 . 1 1 56 56 PHE H H 1 8.410 0.03 . 1 . . . . 56 PHE HN . 6884 1 663 . 1 1 56 56 PHE HA H 1 4.010 0.03 . 1 . . . . 56 PHE HA . 6884 1 664 . 1 1 56 56 PHE HB2 H 1 2.990 0.03 . 2 . . . . 56 PHE HB1 . 6884 1 665 . 1 1 56 56 PHE HB3 H 1 3.400 0.03 . 2 . . . . 56 PHE HB2 . 6884 1 666 . 1 1 56 56 PHE HD1 H 1 6.710 0.03 . 3 . . . . 56 PHE HD1 . 6884 1 667 . 1 1 56 56 PHE C C 13 177.460 0.3 . 1 . . . . 56 PHE C . 6884 1 668 . 1 1 56 56 PHE CA C 13 60.430 0.3 . 1 . . . . 56 PHE CA . 6884 1 669 . 1 1 56 56 PHE CB C 13 40.350 0.3 . 1 . . . . 56 PHE CB . 6884 1 670 . 1 1 56 56 PHE N N 15 123.870 0.3 . 1 . . . . 56 PHE N . 6884 1 671 . 1 1 57 57 VAL H H 1 8.510 0.03 . 1 . . . . 57 VAL HN . 6884 1 672 . 1 1 57 57 VAL HA H 1 3.110 0.03 . 1 . . . . 57 VAL HA . 6884 1 673 . 1 1 57 57 VAL HB H 1 2.280 0.03 . 1 . . . . 57 VAL HB . 6884 1 674 . 1 1 57 57 VAL HG21 H 1 1.280 0.03 . 2 . . . . 57 VAL HG21 . 6884 1 675 . 1 1 57 57 VAL HG22 H 1 1.280 0.03 . 2 . . . . 57 VAL HG21 . 6884 1 676 . 1 1 57 57 VAL HG23 H 1 1.280 0.03 . 2 . . . . 57 VAL HG21 . 6884 1 677 . 1 1 57 57 VAL C C 13 176.010 0.3 . 1 . . . . 57 VAL C . 6884 1 678 . 1 1 57 57 VAL CA C 13 67.740 0.3 . 1 . . . . 57 VAL CA . 6884 1 679 . 1 1 57 57 VAL CB C 13 31.490 0.3 . 1 . . . . 57 VAL CB . 6884 1 680 . 1 1 57 57 VAL CG1 C 13 21.18 0.3 . 1 . . . . 57 VAL CG1 . 6884 1 681 . 1 1 57 57 VAL CG2 C 13 24.880 0.3 . 1 . . . . 57 VAL CG2 . 6884 1 682 . 1 1 57 57 VAL N N 15 119.700 0.3 . 1 . . . . 57 VAL N . 6884 1 683 . 1 1 58 58 GLU H H 1 7.300 0.03 . 1 . . . . 58 GLU HN . 6884 1 684 . 1 1 58 58 GLU HA H 1 3.890 0.03 . 1 . . . . 58 GLU HA . 6884 1 685 . 1 1 58 58 GLU HB2 H 1 2.100 0.03 . 1 . . . . 58 GLU HB1 . 6884 1 686 . 1 1 58 58 GLU HB3 H 1 2.100 0.03 . 1 . . . . 58 GLU HB2 . 6884 1 687 . 1 1 58 58 GLU HG2 H 1 2.310 0.03 . 2 . . . . 58 GLU HG1 . 6884 1 688 . 1 1 58 58 GLU HG3 H 1 2.380 0.03 . 2 . . . . 58 GLU HG2 . 6884 1 689 . 1 1 58 58 GLU C C 13 177.000 0.3 . 1 . . . . 58 GLU C . 6884 1 690 . 1 1 58 58 GLU CA C 13 59.410 0.3 . 1 . . . . 58 GLU CA . 6884 1 691 . 1 1 58 58 GLU CB C 13 29.210 0.3 . 1 . . . . 58 GLU CB . 6884 1 692 . 1 1 58 58 GLU CG C 13 35.970 0.3 . 1 . . . . 58 GLU CG . 6884 1 693 . 1 1 58 58 GLU N N 15 118.060 0.3 . 1 . . . . 58 GLU N . 6884 1 694 . 1 1 59 59 ALA H H 1 7.560 0.03 . 1 . . . . 59 ALA HN . 6884 1 695 . 1 1 59 59 ALA HA H 1 4.190 0.03 . 1 . . . . 59 ALA HA . 6884 1 696 . 1 1 59 59 ALA HB1 H 1 1.360 0.03 . 1 . . . . 59 ALA HB1 . 6884 1 697 . 1 1 59 59 ALA HB2 H 1 1.360 0.03 . 1 . . . . 59 ALA HB1 . 6884 1 698 . 1 1 59 59 ALA HB3 H 1 1.360 0.03 . 1 . . . . 59 ALA HB1 . 6884 1 699 . 1 1 59 59 ALA C C 13 178.230 0.3 . 1 . . . . 59 ALA C . 6884 1 700 . 1 1 59 59 ALA CA C 13 55.060 0.3 . 1 . . . . 59 ALA CA . 6884 1 701 . 1 1 59 59 ALA CB C 13 17.940 0.3 . 1 . . . . 59 ALA CB . 6884 1 702 . 1 1 59 59 ALA N N 15 121.740 0.3 . 1 . . . . 59 ALA N . 6884 1 703 . 1 1 60 60 VAL H H 1 8.280 0.03 . 1 . . . . 60 VAL HN . 6884 1 704 . 1 1 60 60 VAL HA H 1 3.480 0.03 . 1 . . . . 60 VAL HA . 6884 1 705 . 1 1 60 60 VAL HB H 1 1.780 0.03 . 1 . . . . 60 VAL HB . 6884 1 706 . 1 1 60 60 VAL HG11 H 1 0.750 0.03 . 2 . . . . 60 VAL HG11 . 6884 1 707 . 1 1 60 60 VAL HG12 H 1 0.750 0.03 . 2 . . . . 60 VAL HG11 . 6884 1 708 . 1 1 60 60 VAL HG13 H 1 0.750 0.03 . 2 . . . . 60 VAL HG11 . 6884 1 709 . 1 1 60 60 VAL HG21 H 1 0.070 0.03 . 2 . . . . 60 VAL HG21 . 6884 1 710 . 1 1 60 60 VAL HG22 H 1 0.070 0.03 . 2 . . . . 60 VAL HG21 . 6884 1 711 . 1 1 60 60 VAL HG23 H 1 0.070 0.03 . 2 . . . . 60 VAL HG21 . 6884 1 712 . 1 1 60 60 VAL C C 13 180.860 0.3 . 1 . . . . 60 VAL C . 6884 1 713 . 1 1 60 60 VAL CA C 13 66.870 0.3 . 1 . . . . 60 VAL CA . 6884 1 714 . 1 1 60 60 VAL CB C 13 31.320 0.3 . 1 . . . . 60 VAL CB . 6884 1 715 . 1 1 60 60 VAL CG1 C 13 22.360 0.3 . 1 . . . . 60 VAL CG1 . 6884 1 716 . 1 1 60 60 VAL CG2 C 13 22.360 0.3 . 1 . . . . 60 VAL CG2 . 6884 1 717 . 1 1 60 60 VAL N N 15 119.450 0.3 . 1 . . . . 60 VAL N . 6884 1 718 . 1 1 61 61 LYS H H 1 8.180 0.03 . 1 . . . . 61 LYS HN . 6884 1 719 . 1 1 61 61 LYS HA H 1 3.770 0.03 . 1 . . . . 61 LYS HA . 6884 1 720 . 1 1 61 61 LYS HB2 H 1 1.840 0.03 . 2 . . . . 61 LYS HB1 . 6884 1 721 . 1 1 61 61 LYS HB3 H 1 1.800 0.03 . 2 . . . . 61 LYS HB2 . 6884 1 722 . 1 1 61 61 LYS HG2 H 1 1.400 0.03 . 2 . . . . 61 LYS HG1 . 6884 1 723 . 1 1 61 61 LYS HG3 H 1 1.470 0.03 . 2 . . . . 61 LYS HG2 . 6884 1 724 . 1 1 61 61 LYS HD2 H 1 1.620 0.03 . 1 . . . . 61 LYS HD1 . 6884 1 725 . 1 1 61 61 LYS HD3 H 1 1.620 0.03 . 1 . . . . 61 LYS HD2 . 6884 1 726 . 1 1 61 61 LYS HE2 H 1 3.020 0.03 . 1 . . . . 61 LYS HE1 . 6884 1 727 . 1 1 61 61 LYS HE3 H 1 3.020 0.03 . 1 . . . . 61 LYS HE2 . 6884 1 728 . 1 1 61 61 LYS C C 13 176.820 0.3 . 1 . . . . 61 LYS C . 6884 1 729 . 1 1 61 61 LYS CA C 13 59.110 0.3 . 1 . . . . 61 LYS CA . 6884 1 730 . 1 1 61 61 LYS CB C 13 32.630 0.3 . 1 . . . . 61 LYS CB . 6884 1 731 . 1 1 61 61 LYS CG C 13 25.120 0.3 . 1 . . . . 61 LYS CG . 6884 1 732 . 1 1 61 61 LYS CD C 13 29.400 0.3 . 1 . . . . 61 LYS CD . 6884 1 733 . 1 1 61 61 LYS CE C 13 42.410 0.3 . 1 . . . . 61 LYS CE . 6884 1 734 . 1 1 61 61 LYS N N 15 117.420 0.3 . 1 . . . . 61 LYS N . 6884 1 735 . 1 1 62 62 ASN H H 1 7.440 0.03 . 1 . . . . 62 ASN HN . 6884 1 736 . 1 1 62 62 ASN HA H 1 4.510 0.03 . 1 . . . . 62 ASN HA . 6884 1 737 . 1 1 62 62 ASN HB2 H 1 2.880 0.03 . 1 . . . . 62 ASN HB1 . 6884 1 738 . 1 1 62 62 ASN HB3 H 1 2.880 0.03 . 1 . . . . 62 ASN HB2 . 6884 1 739 . 1 1 62 62 ASN HD21 H 1 7.590 0.03 . 2 . . . . 62 ASN HD21 . 6884 1 740 . 1 1 62 62 ASN HD22 H 1 6.980 0.03 . 2 . . . . 62 ASN HD22 . 6884 1 741 . 1 1 62 62 ASN C C 13 177.460 0.3 . 1 . . . . 62 ASN C . 6884 1 742 . 1 1 62 62 ASN CA C 13 55.130 0.3 . 1 . . . . 62 ASN CA . 6884 1 743 . 1 1 62 62 ASN CB C 13 39.300 0.3 . 1 . . . . 62 ASN CB . 6884 1 744 . 1 1 62 62 ASN N N 15 115.610 0.3 . 1 . . . . 62 ASN N . 6884 1 745 . 1 1 62 62 ASN ND2 N 15 114.800 0.3 . 1 . . . . 62 ASN ND2 . 6884 1 746 . 1 1 63 63 GLY H H 1 7.780 0.03 . 1 . . . . 63 GLY HN . 6884 1 747 . 1 1 63 63 GLY HA2 H 1 3.580 0.03 . 2 . . . . 63 GLY HA1 . 6884 1 748 . 1 1 63 63 GLY HA3 H 1 4.100 0.03 . 2 . . . . 63 GLY HA2 . 6884 1 749 . 1 1 63 63 GLY C C 13 177.270 0.3 . 1 . . . . 63 GLY C . 6884 1 750 . 1 1 63 63 GLY CA C 13 45.170 0.3 . 1 . . . . 63 GLY CA . 6884 1 751 . 1 1 63 63 GLY N N 15 106.860 0.3 . 1 . . . . 63 GLY N . 6884 1 752 . 1 1 64 64 SER H H 1 6.830 0.03 . 1 . . . . 64 SER HN . 6884 1 753 . 1 1 64 64 SER HA H 1 3.810 0.03 . 1 . . . . 64 SER HA . 6884 1 754 . 1 1 64 64 SER HB2 H 1 4.010 0.03 . 2 . . . . 64 SER HB1 . 6884 1 755 . 1 1 64 64 SER HB3 H 1 2.830 0.03 . 2 . . . . 64 SER HB2 . 6884 1 756 . 1 1 64 64 SER C C 13 171.650 0.3 . 1 . . . . 64 SER C . 6884 1 757 . 1 1 64 64 SER CA C 13 56.450 0.3 . 1 . . . . 64 SER CA . 6884 1 758 . 1 1 64 64 SER CB C 13 63.030 0.3 . 1 . . . . 64 SER CB . 6884 1 759 . 1 1 64 64 SER N N 15 114.580 0.3 . 1 . . . . 64 SER N . 6884 1 760 . 1 1 65 65 PRO HA H 1 4.150 0.03 . 1 . . . . 65 PRO HA . 6884 1 761 . 1 1 65 65 PRO HB2 H 1 1.110 0.03 . 2 . . . . 65 PRO HB1 . 6884 1 762 . 1 1 65 65 PRO HB3 H 1 2.050 0.03 . 2 . . . . 65 PRO HB2 . 6884 1 763 . 1 1 65 65 PRO HG2 H 1 1.860 0.03 . 2 . . . . 65 PRO HG1 . 6884 1 764 . 1 1 65 65 PRO HG3 H 1 1.920 0.03 . 2 . . . . 65 PRO HG2 . 6884 1 765 . 1 1 65 65 PRO HD2 H 1 3.540 0.03 . 2 . . . . 65 PRO HD1 . 6884 1 766 . 1 1 65 65 PRO HD3 H 1 3.630 0.03 . 2 . . . . 65 PRO HD2 . 6884 1 767 . 1 1 65 65 PRO CA C 13 65.690 0.3 . 1 . . . . 65 PRO CA . 6884 1 768 . 1 1 65 65 PRO CB C 13 31.580 0.3 . 1 . . . . 65 PRO CB . 6884 1 769 . 1 1 65 65 PRO CG C 13 27.680 0.3 . 1 . . . . 65 PRO CG . 6884 1 770 . 1 1 65 65 PRO CD C 13 50.60 0.3 . 1 . . . . 65 PRO CD . 6884 1 771 . 1 1 66 66 PHE H H 1 7.930 0.03 . 1 . . . . 66 PHE HN . 6884 1 772 . 1 1 66 66 PHE HA H 1 4.780 0.03 . 1 . . . . 66 PHE HA . 6884 1 773 . 1 1 66 66 PHE HB2 H 1 2.980 0.03 . 2 . . . . 66 PHE HB1 . 6884 1 774 . 1 1 66 66 PHE HB3 H 1 3.530 0.03 . 2 . . . . 66 PHE HB2 . 6884 1 775 . 1 1 66 66 PHE C C 13 176.970 0.3 . 1 . . . . 66 PHE C . 6884 1 776 . 1 1 66 66 PHE CA C 13 57.540 0.3 . 1 . . . . 66 PHE CA . 6884 1 777 . 1 1 66 66 PHE CB C 13 38.950 0.3 . 1 . . . . 66 PHE CB . 6884 1 778 . 1 1 66 66 PHE N N 15 113.660 0.3 . 1 . . . . 66 PHE N . 6884 1 779 . 1 1 67 67 SER H H 1 7.700 0.03 . 1 . . . . 67 SER HN . 6884 1 780 . 1 1 67 67 SER HA H 1 4.770 0.03 . 1 . . . . 67 SER HA . 6884 1 781 . 1 1 67 67 SER HB2 H 1 3.930 0.03 . 1 . . . . 67 SER HB1 . 6884 1 782 . 1 1 67 67 SER HB3 H 1 3.930 0.03 . 1 . . . . 67 SER HB2 . 6884 1 783 . 1 1 67 67 SER C C 13 175.300 0.3 . 1 . . . . 67 SER C . 6884 1 784 . 1 1 67 67 SER CA C 13 57.510 0.3 . 1 . . . . 67 SER CA . 6884 1 785 . 1 1 67 67 SER CB C 13 67.700 0.3 . 1 . . . . 67 SER CB . 6884 1 786 . 1 1 67 67 SER N N 15 115.680 0.3 . 1 . . . . 67 SER N . 6884 1 787 . 1 1 68 68 LYS H H 1 8.150 0.03 . 1 . . . . 68 LYS HN . 6884 1 788 . 1 1 68 68 LYS HA H 1 4.530 0.03 . 1 . . . . 68 LYS HA . 6884 1 789 . 1 1 68 68 LYS HB2 H 1 1.710 0.03 . 2 . . . . 68 LYS HB1 . 6884 1 790 . 1 1 68 68 LYS HB3 H 1 1.780 0.03 . 2 . . . . 68 LYS HB2 . 6884 1 791 . 1 1 68 68 LYS HG2 H 1 1.200 0.03 . 2 . . . . 68 LYS HG1 . 6884 1 792 . 1 1 68 68 LYS HG3 H 1 1.340 0.03 . 2 . . . . 68 LYS HG2 . 6884 1 793 . 1 1 68 68 LYS HD2 H 1 1.680 0.03 . 1 . . . . 68 LYS HD1 . 6884 1 794 . 1 1 68 68 LYS HD3 H 1 1.680 0.03 . 1 . . . . 68 LYS HD2 . 6884 1 795 . 1 1 68 68 LYS HE2 H 1 2.950 0.03 . 1 . . . . 68 LYS HE1 . 6884 1 796 . 1 1 68 68 LYS HE3 H 1 2.950 0.03 . 1 . . . . 68 LYS HE2 . 6884 1 797 . 1 1 68 68 LYS C C 13 173.500 0.3 . 1 . . . . 68 LYS C . 6884 1 798 . 1 1 68 68 LYS CA C 13 55.970 0.3 . 1 . . . . 68 LYS CA . 6884 1 799 . 1 1 68 68 LYS CB C 13 34.390 0.3 . 1 . . . . 68 LYS CB . 6884 1 800 . 1 1 68 68 LYS CG C 13 24.760 0.3 . 1 . . . . 68 LYS CG . 6884 1 801 . 1 1 68 68 LYS CD C 13 28.930 0.3 . 1 . . . . 68 LYS CD . 6884 1 802 . 1 1 68 68 LYS CE C 13 42.150 0.3 . 1 . . . . 68 LYS CE . 6884 1 803 . 1 1 68 68 LYS N N 15 120.580 0.3 . 1 . . . . 68 LYS N . 6884 1 804 . 1 1 69 69 VAL H H 1 8.870 0.03 . 1 . . . . 69 VAL HN . 6884 1 805 . 1 1 69 69 VAL HA H 1 4.050 0.03 . 1 . . . . 69 VAL HA . 6884 1 806 . 1 1 69 69 VAL HB H 1 2.070 0.03 . 1 . . . . 69 VAL HB . 6884 1 807 . 1 1 69 69 VAL HG11 H 1 0.920 0.03 . 2 . . . . 69 VAL HG11 . 6884 1 808 . 1 1 69 69 VAL HG12 H 1 0.920 0.03 . 2 . . . . 69 VAL HG11 . 6884 1 809 . 1 1 69 69 VAL HG13 H 1 0.920 0.03 . 2 . . . . 69 VAL HG11 . 6884 1 810 . 1 1 69 69 VAL HG21 H 1 0.920 0.03 . 2 . . . . 69 VAL HG21 . 6884 1 811 . 1 1 69 69 VAL HG22 H 1 0.920 0.03 . 2 . . . . 69 VAL HG21 . 6884 1 812 . 1 1 69 69 VAL HG23 H 1 0.920 0.03 . 2 . . . . 69 VAL HG21 . 6884 1 813 . 1 1 69 69 VAL C C 13 174.510 0.3 . 1 . . . . 69 VAL C . 6884 1 814 . 1 1 69 69 VAL CA C 13 63.060 0.3 . 1 . . . . 69 VAL CA . 6884 1 815 . 1 1 69 69 VAL CB C 13 32.280 0.3 . 1 . . . . 69 VAL CB . 6884 1 816 . 1 1 69 69 VAL CG1 C 13 21.170 0.3 . 1 . . . . 69 VAL CG1 . 6884 1 817 . 1 1 69 69 VAL CG2 C 13 21.590 0.3 . 1 . . . . 69 VAL CG2 . 6884 1 818 . 1 1 69 69 VAL N N 15 130.180 0.3 . 1 . . . . 69 VAL N . 6884 1 819 . 1 1 70 70 THR H H 1 9.330 0.03 . 1 . . . . 70 THR HN . 6884 1 820 . 1 1 70 70 THR HA H 1 4.430 0.03 . 1 . . . . 70 THR HA . 6884 1 821 . 1 1 70 70 THR HB H 1 4.230 0.03 . 1 . . . . 70 THR HB . 6884 1 822 . 1 1 70 70 THR HG21 H 1 1.100 0.03 . 1 . . . . 70 THR HG21 . 6884 1 823 . 1 1 70 70 THR HG22 H 1 1.100 0.03 . 1 . . . . 70 THR HG21 . 6884 1 824 . 1 1 70 70 THR HG23 H 1 1.100 0.03 . 1 . . . . 70 THR HG21 . 6884 1 825 . 1 1 70 70 THR C C 13 177.460 0.3 . 1 . . . . 70 THR C . 6884 1 826 . 1 1 70 70 THR CA C 13 61.890 0.3 . 1 . . . . 70 THR CA . 6884 1 827 . 1 1 70 70 THR CB C 13 69.130 0.3 . 1 . . . . 70 THR CB . 6884 1 828 . 1 1 70 70 THR CG2 C 13 21.900 0.3 . 1 . . . . 70 THR CG2 . 6884 1 829 . 1 1 70 70 THR N N 15 120.570 0.3 . 1 . . . . 70 THR N . 6884 1 830 . 1 1 71 71 ASP H H 1 7.540 0.03 . 1 . . . . 71 ASP HN . 6884 1 831 . 1 1 71 71 ASP HA H 1 4.800 0.03 . 1 . . . . 71 ASP HA . 6884 1 832 . 1 1 71 71 ASP HB2 H 1 2.500 0.03 . 2 . . . . 71 ASP HB1 . 6884 1 833 . 1 1 71 71 ASP HB3 H 1 2.640 0.03 . 2 . . . . 71 ASP HB2 . 6884 1 834 . 1 1 71 71 ASP C C 13 177.560 0.3 . 1 . . . . 71 ASP C . 6884 1 835 . 1 1 71 71 ASP CA C 13 54.320 0.3 . 1 . . . . 71 ASP CA . 6884 1 836 . 1 1 71 71 ASP CB C 13 44.730 0.3 . 1 . . . . 71 ASP CB . 6884 1 837 . 1 1 71 71 ASP N N 15 121.330 0.3 . 1 . . . . 71 ASP N . 6884 1 838 . 1 1 72 72 ILE H H 1 8.290 0.03 . 1 . . . . 72 ILE HN . 6884 1 839 . 1 1 72 72 ILE HA H 1 4.800 0.03 . 1 . . . . 72 ILE HA . 6884 1 840 . 1 1 72 72 ILE HB H 1 1.620 0.03 . 1 . . . . 72 ILE HB . 6884 1 841 . 1 1 72 72 ILE HG12 H 1 0.900 0.03 . 1 . . . . 72 ILE HG11 . 6884 1 842 . 1 1 72 72 ILE HG13 H 1 1.450 0.03 . 1 . . . . 72 ILE HG12 . 6884 1 843 . 1 1 72 72 ILE HG21 H 1 0.810 0.03 . 1 . . . . 72 ILE HG21 . 6884 1 844 . 1 1 72 72 ILE HG22 H 1 0.810 0.03 . 1 . . . . 72 ILE HG21 . 6884 1 845 . 1 1 72 72 ILE HG23 H 1 0.810 0.03 . 1 . . . . 72 ILE HG21 . 6884 1 846 . 1 1 72 72 ILE HD11 H 1 0.740 0.03 . 1 . . . . 72 ILE HD11 . 6884 1 847 . 1 1 72 72 ILE HD12 H 1 0.740 0.03 . 1 . . . . 72 ILE HD11 . 6884 1 848 . 1 1 72 72 ILE HD13 H 1 0.740 0.03 . 1 . . . . 72 ILE HD11 . 6884 1 849 . 1 1 72 72 ILE C C 13 173.370 0.3 . 1 . . . . 72 ILE C . 6884 1 850 . 1 1 72 72 ILE CA C 13 59.660 0.3 . 1 . . . . 72 ILE CA . 6884 1 851 . 1 1 72 72 ILE CB C 13 41.750 0.3 . 1 . . . . 72 ILE CB . 6884 1 852 . 1 1 72 72 ILE CG1 C 13 28.300 0.3 . 1 . . . . 72 ILE CG1 . 6884 1 853 . 1 1 72 72 ILE CG2 C 13 15.980 0.3 . 1 . . . . 72 ILE CG2 . 6884 1 854 . 1 1 72 72 ILE CD1 C 13 15.010 0.3 . 1 . . . . 72 ILE CD1 . 6884 1 855 . 1 1 72 72 ILE N N 15 119.780 0.3 . 1 . . . . 72 ILE N . 6884 1 856 . 1 1 73 73 SER H H 1 8.630 0.03 . 1 . . . . 73 SER HN . 6884 1 857 . 1 1 73 73 SER HA H 1 4.810 0.03 . 1 . . . . 73 SER HA . 6884 1 858 . 1 1 73 73 SER HB2 H 1 3.780 0.03 . 2 . . . . 73 SER HB1 . 6884 1 859 . 1 1 73 73 SER HB3 H 1 3.750 0.03 . 2 . . . . 73 SER HB2 . 6884 1 860 . 1 1 73 73 SER C C 13 173.470 0.3 . 1 . . . . 73 SER C . 6884 1 861 . 1 1 73 73 SER CA C 13 56.740 0.3 . 1 . . . . 73 SER CA . 6884 1 862 . 1 1 73 73 SER CB C 13 65.160 0.3 . 1 . . . . 73 SER CB . 6884 1 863 . 1 1 73 73 SER N N 15 121.700 0.3 . 1 . . . . 73 SER N . 6884 1 864 . 1 1 74 74 VAL H H 1 8.710 0.03 . 1 . . . . 74 VAL HN . 6884 1 865 . 1 1 74 74 VAL HA H 1 4.650 0.03 . 1 . . . . 74 VAL HA . 6884 1 866 . 1 1 74 74 VAL HB H 1 1.750 0.03 . 1 . . . . 74 VAL HB . 6884 1 867 . 1 1 74 74 VAL HG11 H 1 0.170 0.03 . 2 . . . . 74 VAL HG11 . 6884 1 868 . 1 1 74 74 VAL HG12 H 1 0.170 0.03 . 2 . . . . 74 VAL HG11 . 6884 1 869 . 1 1 74 74 VAL HG13 H 1 0.170 0.03 . 2 . . . . 74 VAL HG11 . 6884 1 870 . 1 1 74 74 VAL HG21 H 1 0.780 0.03 . 2 . . . . 74 VAL HG21 . 6884 1 871 . 1 1 74 74 VAL HG22 H 1 0.780 0.03 . 2 . . . . 74 VAL HG21 . 6884 1 872 . 1 1 74 74 VAL HG23 H 1 0.780 0.03 . 2 . . . . 74 VAL HG21 . 6884 1 873 . 1 1 74 74 VAL C C 13 173.280 0.3 . 1 . . . . 74 VAL C . 6884 1 874 . 1 1 74 74 VAL CA C 13 61.930 0.3 . 1 . . . . 74 VAL CA . 6884 1 875 . 1 1 74 74 VAL CB C 13 34.740 0.3 . 1 . . . . 74 VAL CB . 6884 1 876 . 1 1 74 74 VAL CG1 C 13 20.730 0.3 . 1 . . . . 74 VAL CG1 . 6884 1 877 . 1 1 74 74 VAL CG2 C 13 21.770 0.3 . 1 . . . . 74 VAL CG2 . 6884 1 878 . 1 1 74 74 VAL N N 15 126.540 0.3 . 1 . . . . 74 VAL N . 6884 1 879 . 1 1 75 75 THR H H 1 8.940 0.03 . 1 . . . . 75 THR HN . 6884 1 880 . 1 1 75 75 THR HA H 1 4.580 0.03 . 1 . . . . 75 THR HA . 6884 1 881 . 1 1 75 75 THR HB H 1 4.080 0.03 . 1 . . . . 75 THR HB . 6884 1 882 . 1 1 75 75 THR HG21 H 1 1.240 0.03 . 1 . . . . 75 THR HG21 . 6884 1 883 . 1 1 75 75 THR HG22 H 1 1.240 0.03 . 1 . . . . 75 THR HG21 . 6884 1 884 . 1 1 75 75 THR HG23 H 1 1.240 0.03 . 1 . . . . 75 THR HG21 . 6884 1 885 . 1 1 75 75 THR C C 13 175.790 0.3 . 1 . . . . 75 THR C . 6884 1 886 . 1 1 75 75 THR CA C 13 61.490 0.3 . 1 . . . . 75 THR CA . 6884 1 887 . 1 1 75 75 THR CB C 13 71.050 0.3 . 1 . . . . 75 THR CB . 6884 1 888 . 1 1 75 75 THR CG2 C 13 21.590 0.3 . 1 . . . . 75 THR CG2 . 6884 1 889 . 1 1 75 75 THR N N 15 123.430 0.3 . 1 . . . . 75 THR N . 6884 1 890 . 1 1 76 76 GLU H H 1 9.010 0.03 . 1 . . . . 76 GLU HN . 6884 1 891 . 1 1 76 76 GLU HA H 1 5.490 0.03 . 1 . . . . 76 GLU HA . 6884 1 892 . 1 1 76 76 GLU HB2 H 1 2.070 0.03 . 1 . . . . 76 GLU HB1 . 6884 1 893 . 1 1 76 76 GLU HB3 H 1 2.070 0.03 . 1 . . . . 76 GLU HB2 . 6884 1 894 . 1 1 76 76 GLU HG2 H 1 2.150 0.03 . 1 . . . . 76 GLU HG1 . 6884 1 895 . 1 1 76 76 GLU HG3 H 1 2.150 0.03 . 1 . . . . 76 GLU HG2 . 6884 1 896 . 1 1 76 76 GLU C C 13 173.370 0.3 . 1 . . . . 76 GLU C . 6884 1 897 . 1 1 76 76 GLU CA C 13 54.950 0.3 . 1 . . . . 76 GLU CA . 6884 1 898 . 1 1 76 76 GLU CB C 13 32.900 0.3 . 1 . . . . 76 GLU CB . 6884 1 899 . 1 1 76 76 GLU CG C 13 36.490 0.3 . 1 . . . . 76 GLU CG . 6884 1 900 . 1 1 76 76 GLU N N 15 127.120 0.3 . 1 . . . . 76 GLU N . 6884 1 901 . 1 1 77 77 SER H H 1 9.210 0.03 . 1 . . . . 77 SER HN . 6884 1 902 . 1 1 77 77 SER HA H 1 4.810 0.03 . 1 . . . . 77 SER HA . 6884 1 903 . 1 1 77 77 SER HB2 H 1 3.690 0.03 . 2 . . . . 77 SER HB1 . 6884 1 904 . 1 1 77 77 SER HB3 H 1 3.940 0.03 . 2 . . . . 77 SER HB2 . 6884 1 905 . 1 1 77 77 SER C C 13 175.890 0.3 . 1 . . . . 77 SER C . 6884 1 906 . 1 1 77 77 SER CA C 13 57.100 0.3 . 1 . . . . 77 SER CA . 6884 1 907 . 1 1 77 77 SER CB C 13 65.520 0.3 . 1 . . . . 77 SER CB . 6884 1 908 . 1 1 77 77 SER N N 15 117.280 0.3 . 1 . . . . 77 SER N . 6884 1 909 . 1 1 78 78 ARG H H 1 8.760 0.03 . 1 . . . . 78 ARG HN . 6884 1 910 . 1 1 78 78 ARG HA H 1 4.580 0.03 . 1 . . . . 78 ARG HA . 6884 1 911 . 1 1 78 78 ARG HB2 H 1 1.750 0.03 . 2 . . . . 78 ARG HB1 . 6884 1 912 . 1 1 78 78 ARG HB3 H 1 2.130 0.03 . 2 . . . . 78 ARG HB2 . 6884 1 913 . 1 1 78 78 ARG HG2 H 1 1.720 0.03 . 2 . . . . 78 ARG HG1 . 6884 1 914 . 1 1 78 78 ARG HG3 H 1 1.800 0.03 . 2 . . . . 78 ARG HG2 . 6884 1 915 . 1 1 78 78 ARG HD2 H 1 3.260 0.03 . 1 . . . . 78 ARG HD1 . 6884 1 916 . 1 1 78 78 ARG HD3 H 1 3.260 0.03 . 1 . . . . 78 ARG HD2 . 6884 1 917 . 1 1 78 78 ARG C C 13 173.550 0.3 . 1 . . . . 78 ARG C . 6884 1 918 . 1 1 78 78 ARG CA C 13 56.230 0.3 . 1 . . . . 78 ARG CA . 6884 1 919 . 1 1 78 78 ARG CB C 13 30.380 0.3 . 1 . . . . 78 ARG CB . 6884 1 920 . 1 1 78 78 ARG CG C 13 28.300 0.3 . 1 . . . . 78 ARG CG . 6884 1 921 . 1 1 78 78 ARG CD C 13 43.440 0.3 . 1 . . . . 78 ARG CD . 6884 1 922 . 1 1 78 78 ARG N N 15 123.460 0.3 . 1 . . . . 78 ARG N . 6884 1 923 . 1 1 79 79 SER H H 1 8.390 0.03 . 1 . . . . 79 SER HN . 6884 1 924 . 1 1 79 79 SER HA H 1 4.530 0.03 . 1 . . . . 79 SER HA . 6884 1 925 . 1 1 79 79 SER HB2 H 1 3.720 0.03 . 2 . . . . 79 SER HB1 . 6884 1 926 . 1 1 79 79 SER HB3 H 1 3.810 0.03 . 2 . . . . 79 SER HB2 . 6884 1 927 . 1 1 79 79 SER C C 13 176.430 0.3 . 1 . . . . 79 SER C . 6884 1 928 . 1 1 79 79 SER CA C 13 57.360 0.3 . 1 . . . . 79 SER CA . 6884 1 929 . 1 1 79 79 SER CB C 13 63.280 0.3 . 1 . . . . 79 SER CB . 6884 1 930 . 1 1 79 79 SER N N 15 118.300 0.3 . 1 . . . . 79 SER N . 6884 1 931 . 1 1 80 80 LEU H H 1 8.150 0.03 . 1 . . . . 80 LEU HN . 6884 1 932 . 1 1 80 80 LEU HA H 1 4.340 0.03 . 1 . . . . 80 LEU HA . 6884 1 933 . 1 1 80 80 LEU HB2 H 1 1.490 0.03 . 1 . . . . 80 LEU HB1 . 6884 1 934 . 1 1 80 80 LEU HB3 H 1 1.490 0.03 . 1 . . . . 80 LEU HB2 . 6884 1 935 . 1 1 80 80 LEU HG H 1 1.570 0.03 . 1 . . . . 80 LEU HG . 6884 1 936 . 1 1 80 80 LEU HD11 H 1 0.740 0.03 . 2 . . . . 80 LEU HD11 . 6884 1 937 . 1 1 80 80 LEU HD12 H 1 0.740 0.03 . 2 . . . . 80 LEU HD11 . 6884 1 938 . 1 1 80 80 LEU HD13 H 1 0.740 0.03 . 2 . . . . 80 LEU HD11 . 6884 1 939 . 1 1 80 80 LEU HD21 H 1 0.660 0.03 . 2 . . . . 80 LEU HD21 . 6884 1 940 . 1 1 80 80 LEU HD22 H 1 0.660 0.03 . 2 . . . . 80 LEU HD21 . 6884 1 941 . 1 1 80 80 LEU HD23 H 1 0.660 0.03 . 2 . . . . 80 LEU HD21 . 6884 1 942 . 1 1 80 80 LEU C C 13 172.980 0.3 . 1 . . . . 80 LEU C . 6884 1 943 . 1 1 80 80 LEU CA C 13 55.130 0.3 . 1 . . . . 80 LEU CA . 6884 1 944 . 1 1 80 80 LEU CB C 13 42.720 0.3 . 1 . . . . 80 LEU CB . 6884 1 945 . 1 1 80 80 LEU CG C 13 28.820 0.3 . 1 . . . . 80 LEU CG . 6884 1 946 . 1 1 80 80 LEU CD1 C 13 25.120 0.3 . 1 . . . . 80 LEU CD1 . 6884 1 947 . 1 1 80 80 LEU CD2 C 13 24.500 0.3 . 1 . . . . 80 LEU CD2 . 6884 1 948 . 1 1 80 80 LEU N N 15 125.110 0.3 . 1 . . . . 80 LEU N . 6884 1 949 . 1 1 81 81 GLU H H 1 11.060 0.03 . 1 . . . . 81 GLU HN . 6884 1 950 . 1 1 81 81 GLU HA H 1 4.160 0.03 . 1 . . . . 81 GLU HA . 6884 1 951 . 1 1 81 81 GLU HB2 H 1 1.820 0.03 . 1 . . . . 81 GLU HB1 . 6884 1 952 . 1 1 81 81 GLU HB3 H 1 1.820 0.03 . 1 . . . . 81 GLU HB2 . 6884 1 953 . 1 1 81 81 GLU HG2 H 1 2.300 0.03 . 2 . . . . 81 GLU HG1 . 6884 1 954 . 1 1 81 81 GLU HG3 H 1 2.230 0.03 . 2 . . . . 81 GLU HG2 . 6884 1 955 . 1 1 81 81 GLU C C 13 178.300 0.3 . 1 . . . . 81 GLU C . 6884 1 956 . 1 1 81 81 GLU CA C 13 57.070 0.3 . 1 . . . . 81 GLU CA . 6884 1 957 . 1 1 81 81 GLU CB C 13 30.710 0.3 . 1 . . . . 81 GLU CB . 6884 1 958 . 1 1 81 81 GLU CG C 13 37.210 0.3 . 1 . . . . 81 GLU CG . 6884 1 959 . 1 1 81 81 GLU N N 15 124.830 0.3 . 1 . . . . 81 GLU N . 6884 1 960 . 1 1 82 82 GLY H H 1 8.730 0.03 . 1 . . . . 82 GLY HN . 6884 1 961 . 1 1 82 82 GLY HA2 H 1 3.690 0.03 . 2 . . . . 82 GLY HA1 . 6884 1 962 . 1 1 82 82 GLY HA3 H 1 3.910 0.03 . 2 . . . . 82 GLY HA2 . 6884 1 963 . 1 1 82 82 GLY C C 13 174.660 0.3 . 1 . . . . 82 GLY C . 6884 1 964 . 1 1 82 82 GLY CA C 13 45.830 0.3 . 1 . . . . 82 GLY CA . 6884 1 965 . 1 1 82 82 GLY N N 15 109.060 0.3 . 1 . . . . 82 GLY N . 6884 1 966 . 1 1 83 83 HIS H H 1 7.460 0.03 . 1 . . . . 83 HIS HN . 6884 1 967 . 1 1 83 83 HIS HA H 1 4.330 0.03 . 1 . . . . 83 HIS HA . 6884 1 968 . 1 1 83 83 HIS HB2 H 1 3.340 0.03 . 2 . . . . 83 HIS HB1 . 6884 1 969 . 1 1 83 83 HIS HB3 H 1 2.560 0.03 . 2 . . . . 83 HIS HB2 . 6884 1 970 . 1 1 83 83 HIS C C 13 174.410 0.3 . 1 . . . . 83 HIS C . 6884 1 971 . 1 1 83 83 HIS CA C 13 56.770 0.3 . 1 . . . . 83 HIS CA . 6884 1 972 . 1 1 83 83 HIS CB C 13 31.930 0.3 . 1 . . . . 83 HIS CB . 6884 1 973 . 1 1 83 83 HIS N N 15 119.550 0.3 . 1 . . . . 83 HIS N . 6884 1 974 . 1 1 84 84 HIS HA H 1 4.870 0.03 . 1 . . . . 84 HIS HA . 6884 1 975 . 1 1 84 84 HIS HB2 H 1 3.160 0.03 . 2 . . . . 84 HIS HB1 . 6884 1 976 . 1 1 84 84 HIS HB3 H 1 3.320 0.03 . 2 . . . . 84 HIS HB2 . 6884 1 977 . 1 1 84 84 HIS CA C 13 55.970 0.3 . 1 . . . . 84 HIS CA . 6884 1 978 . 1 1 84 84 HIS CB C 13 31.010 0.3 . 1 . . . . 84 HIS CB . 6884 1 979 . 1 1 85 85 ARG H H 1 8.320 0.03 . 1 . . . . 85 ARG HN . 6884 1 980 . 1 1 85 85 ARG HA H 1 4.750 0.03 . 1 . . . . 85 ARG HA . 6884 1 981 . 1 1 85 85 ARG HB2 H 1 1.760 0.03 . 2 . . . . 85 ARG HB1 . 6884 1 982 . 1 1 85 85 ARG HB3 H 1 1.940 0.03 . 2 . . . . 85 ARG HB2 . 6884 1 983 . 1 1 85 85 ARG HG2 H 1 1.430 0.03 . 2 . . . . 85 ARG HG1 . 6884 1 984 . 1 1 85 85 ARG HG3 H 1 1.600 0.03 . 2 . . . . 85 ARG HG2 . 6884 1 985 . 1 1 85 85 ARG HD2 H 1 3.230 0.03 . 1 . . . . 85 ARG HD1 . 6884 1 986 . 1 1 85 85 ARG HD3 H 1 3.230 0.03 . 1 . . . . 85 ARG HD2 . 6884 1 987 . 1 1 85 85 ARG C C 13 173.720 0.3 . 1 . . . . 85 ARG C . 6884 1 988 . 1 1 85 85 ARG CA C 13 54.900 0.3 . 1 . . . . 85 ARG CA . 6884 1 989 . 1 1 85 85 ARG CB C 13 32.200 0.3 . 1 . . . . 85 ARG CB . 6884 1 990 . 1 1 85 85 ARG CG C 13 26.260 0.3 . 1 . . . . 85 ARG CG . 6884 1 991 . 1 1 85 85 ARG CD C 13 43.440 0.3 . 1 . . . . 85 ARG CD . 6884 1 992 . 1 1 85 85 ARG N N 15 119.610 0.3 . 1 . . . . 85 ARG N . 6884 1 993 . 1 1 86 86 PHE H H 1 9.260 0.03 . 1 . . . . 86 PHE HN . 6884 1 994 . 1 1 86 86 PHE HA H 1 5.120 0.03 . 1 . . . . 86 PHE HA . 6884 1 995 . 1 1 86 86 PHE HB2 H 1 2.890 0.03 . 2 . . . . 86 PHE HB1 . 6884 1 996 . 1 1 86 86 PHE HB3 H 1 3.160 0.03 . 2 . . . . 86 PHE HB2 . 6884 1 997 . 1 1 86 86 PHE HD1 H 1 6.780 0.03 . 3 . . . . 86 PHE HD1 . 6884 1 998 . 1 1 86 86 PHE C C 13 173.870 0.3 . 1 . . . . 86 PHE C . 6884 1 999 . 1 1 86 86 PHE CA C 13 57.330 0.3 . 1 . . . . 86 PHE CA . 6884 1 1000 . 1 1 86 86 PHE CB C 13 40.350 0.3 . 1 . . . . 86 PHE CB . 6884 1 1001 . 1 1 86 86 PHE N N 15 124.980 0.3 . 1 . . . . 86 PHE N . 6884 1 1002 . 1 1 87 87 SER H H 1 8.020 0.03 . 1 . . . . 87 SER HN . 6884 1 1003 . 1 1 87 87 SER HA H 1 5.000 0.03 . 1 . . . . 87 SER HA . 6884 1 1004 . 1 1 87 87 SER HB2 H 1 3.580 0.03 . 2 . . . . 87 SER HB1 . 6884 1 1005 . 1 1 87 87 SER HB3 H 1 3.780 0.03 . 2 . . . . 87 SER HB2 . 6884 1 1006 . 1 1 87 87 SER C C 13 175.940 0.3 . 1 . . . . 87 SER C . 6884 1 1007 . 1 1 87 87 SER CA C 13 57.690 0.3 . 1 . . . . 87 SER CA . 6884 1 1008 . 1 1 87 87 SER CB C 13 65.990 0.3 . 1 . . . . 87 SER CB . 6884 1 1009 . 1 1 87 87 SER N N 15 124.520 0.3 . 1 . . . . 87 SER N . 6884 1 1010 . 1 1 88 88 ILE H H 1 8.360 0.03 . 1 . . . . 88 ILE HN . 6884 1 1011 . 1 1 88 88 ILE HA H 1 4.270 0.03 . 1 . . . . 88 ILE HA . 6884 1 1012 . 1 1 88 88 ILE HB H 1 1.580 0.03 . 1 . . . . 88 ILE HB . 6884 1 1013 . 1 1 88 88 ILE HG12 H 1 1.820 0.03 . 1 . . . . 88 ILE HG11 . 6884 1 1014 . 1 1 88 88 ILE HG13 H 1 0.710 0.03 . 1 . . . . 88 ILE HG12 . 6884 1 1015 . 1 1 88 88 ILE HG21 H 1 0.370 0.03 . 1 . . . . 88 ILE HG21 . 6884 1 1016 . 1 1 88 88 ILE HG22 H 1 0.370 0.03 . 1 . . . . 88 ILE HG21 . 6884 1 1017 . 1 1 88 88 ILE HG23 H 1 0.370 0.03 . 1 . . . . 88 ILE HG21 . 6884 1 1018 . 1 1 88 88 ILE HD11 H 1 0.870 0.03 . 1 . . . . 88 ILE HD11 . 6884 1 1019 . 1 1 88 88 ILE HD12 H 1 0.870 0.03 . 1 . . . . 88 ILE HD11 . 6884 1 1020 . 1 1 88 88 ILE HD13 H 1 0.870 0.03 . 1 . . . . 88 ILE HD11 . 6884 1 1021 . 1 1 88 88 ILE C C 13 172.290 0.3 . 1 . . . . 88 ILE C . 6884 1 1022 . 1 1 88 88 ILE CA C 13 61.720 0.3 . 1 . . . . 88 ILE CA . 6884 1 1023 . 1 1 88 88 ILE CB C 13 39.030 0.3 . 1 . . . . 88 ILE CB . 6884 1 1024 . 1 1 88 88 ILE CG1 C 13 27.710 0.3 . 1 . . . . 88 ILE CG1 . 6884 1 1025 . 1 1 88 88 ILE CG2 C 13 18.170 0.3 . 1 . . . . 88 ILE CG2 . 6884 1 1026 . 1 1 88 88 ILE CD1 C 13 13.840 0.3 . 1 . . . . 88 ILE CD1 . 6884 1 1027 . 1 1 88 88 ILE N N 15 122.900 0.3 . 1 . . . . 88 ILE N . 6884 1 1028 . 1 1 89 89 VAL H H 1 8.410 0.03 . 1 . . . . 89 VAL HN . 6884 1 1029 . 1 1 89 89 VAL HA H 1 4.140 0.03 . 1 . . . . 89 VAL HA . 6884 1 1030 . 1 1 89 89 VAL HB H 1 1.850 0.03 . 1 . . . . 89 VAL HB . 6884 1 1031 . 1 1 89 89 VAL HG11 H 1 0.540 0.03 . 2 . . . . 89 VAL HG11 . 6884 1 1032 . 1 1 89 89 VAL HG12 H 1 0.540 0.03 . 2 . . . . 89 VAL HG11 . 6884 1 1033 . 1 1 89 89 VAL HG13 H 1 0.540 0.03 . 2 . . . . 89 VAL HG11 . 6884 1 1034 . 1 1 89 89 VAL HG21 H 1 0.720 0.03 . 2 . . . . 89 VAL HG21 . 6884 1 1035 . 1 1 89 89 VAL HG22 H 1 0.720 0.03 . 2 . . . . 89 VAL HG21 . 6884 1 1036 . 1 1 89 89 VAL HG23 H 1 0.720 0.03 . 2 . . . . 89 VAL HG21 . 6884 1 1037 . 1 1 89 89 VAL C C 13 175.740 0.3 . 1 . . . . 89 VAL C . 6884 1 1038 . 1 1 89 89 VAL CA C 13 61.420 0.3 . 1 . . . . 89 VAL CA . 6884 1 1039 . 1 1 89 89 VAL CB C 13 32.990 0.3 . 1 . . . . 89 VAL CB . 6884 1 1040 . 1 1 89 89 VAL CG1 C 13 20.550 0.3 . 1 . . . . 89 VAL CG1 . 6884 1 1041 . 1 1 89 89 VAL CG2 C 13 21.020 0.3 . 1 . . . . 89 VAL CG2 . 6884 1 1042 . 1 1 89 89 VAL N N 15 127.420 0.3 . 1 . . . . 89 VAL N . 6884 1 1043 . 1 1 90 90 TYR H H 1 8.680 0.03 . 1 . . . . 90 TYR HN . 6884 1 1044 . 1 1 90 90 TYR HA H 1 4.540 0.03 . 1 . . . . 90 TYR HA . 6884 1 1045 . 1 1 90 90 TYR HB2 H 1 2.770 0.03 . 2 . . . . 90 TYR HB1 . 6884 1 1046 . 1 1 90 90 TYR HB3 H 1 3.280 0.03 . 2 . . . . 90 TYR HB2 . 6884 1 1047 . 1 1 90 90 TYR HD1 H 1 7.210 0.03 . 3 . . . . 90 TYR HD1 . 6884 1 1048 . 1 1 90 90 TYR HE1 H 1 6.830 0.03 . 3 . . . . 90 TYR HE1 . 6884 1 1049 . 1 1 90 90 TYR C C 13 175.350 0.3 . 1 . . . . 90 TYR C . 6884 1 1050 . 1 1 90 90 TYR CA C 13 58.970 0.3 . 1 . . . . 90 TYR CA . 6884 1 1051 . 1 1 90 90 TYR CB C 13 39.470 0.3 . 1 . . . . 90 TYR CB . 6884 1 1052 . 1 1 90 90 TYR N N 15 126.140 0.3 . 1 . . . . 90 TYR N . 6884 1 1053 . 1 1 91 91 SER H H 1 7.850 0.03 . 1 . . . . 91 SER HN . 6884 1 1054 . 1 1 91 91 SER HA H 1 4.260 0.03 . 1 . . . . 91 SER HA . 6884 1 1055 . 1 1 91 91 SER HB2 H 1 3.880 0.03 . 1 . . . . 91 SER HB1 . 6884 1 1056 . 1 1 91 91 SER HB3 H 1 3.880 0.03 . 1 . . . . 91 SER HB2 . 6884 1 1057 . 1 1 91 91 SER C C 13 175.200 0.3 . 1 . . . . 91 SER C . 6884 1 1058 . 1 1 91 91 SER CA C 13 59.960 0.3 . 1 . . . . 91 SER CA . 6884 1 1059 . 1 1 91 91 SER CB C 13 64.870 0.3 . 1 . . . . 91 SER CB . 6884 1 1060 . 1 1 91 91 SER N N 15 121.960 0.3 . 1 . . . . 91 SER N . 6884 1 stop_ save_