data_25294 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25294 _Entry.Title ; NMR structure of the protein NP_809137.1 from Bacteroides thetaiotaomicron ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2014-10-27 _Entry.Accession_date 2014-10-27 _Entry.Last_release_date 2014-11-10 _Entry.Original_release_date 2014-11-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Andrew Proudfoot . . . 25294 2 Pedro Serrano . . . 25294 3 Michael Geralt . . . 25294 4 Kurt Wuthrich . . . 25294 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 PSI:Biology 'Joint Center for Structural Genomics' . 25294 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Unknown Function' . 25294 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25294 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 762 25294 '13C chemical shifts' 384 25294 '15N chemical shifts' 124 25294 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-11-10 2014-10-22 original author . 25294 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MW1 'BMRB Entry Tracking System' 25294 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25294 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the protein YP_002937094.1 from Eubacterium rectale' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Andrew Proudfoot . . . 25294 1 2 Kurt Wuthrich . . . 25294 1 3 Pedro Serrano . . . 25294 1 4 Michael Geralt . . . 25294 1 5 Samit Dutta . K. . 25294 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25294 _Assembly.ID 1 _Assembly.Name 'NP_809137.1 monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity 1 $entity A . yes native no no . . . 25294 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 25294 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GCELSDPDGLADPMKWSKVP SGLKNGELKVEAEGGSSLFA CKNYKSFWISSVKEEGKFKE NTSYKEFDGGWYLVKIEDNE LKVIINRNETNASRSFTVCV EAGNAFDEFKFVQDAAKQ ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13189.811 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2MW1 . "Nmr Structure Of The Protein Np_809137.1 From Bacteroides Thetaiotaomicron" . . . . . 100.00 118 100.00 100.00 1.58e-78 . . . . 25294 1 2 no GB AAO75331 . "Lipocalin-like protein [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 99.15 134 100.00 100.00 4.19e-78 . . . . 25294 1 3 no REF NP_809137 . "hypothetical protein BT_0224 [Bacteroides thetaiotaomicron VPI-5482]" . . . . . 99.15 134 100.00 100.00 4.19e-78 . . . . 25294 1 4 no REF WP_011107173 . "hypothetical protein [Bacteroides thetaiotaomicron]" . . . . . 99.15 134 100.00 100.00 4.19e-78 . . . . 25294 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 . GLY . 25294 1 2 . CYS . 25294 1 3 . GLU . 25294 1 4 . LEU . 25294 1 5 . SER . 25294 1 6 . ASP . 25294 1 7 . PRO . 25294 1 8 . ASP . 25294 1 9 . GLY . 25294 1 10 . LEU . 25294 1 11 . ALA . 25294 1 12 . ASP . 25294 1 13 . PRO . 25294 1 14 . MET . 25294 1 15 . LYS . 25294 1 16 . TRP . 25294 1 17 . SER . 25294 1 18 . LYS . 25294 1 19 . VAL . 25294 1 20 . PRO . 25294 1 21 . SER . 25294 1 22 . GLY . 25294 1 23 . LEU . 25294 1 24 . LYS . 25294 1 25 . ASN . 25294 1 26 . GLY . 25294 1 27 . GLU . 25294 1 28 . LEU . 25294 1 29 . LYS . 25294 1 30 . VAL . 25294 1 31 . GLU . 25294 1 32 . ALA . 25294 1 33 . GLU . 25294 1 34 . GLY . 25294 1 35 . GLY . 25294 1 36 . SER . 25294 1 37 . SER . 25294 1 38 . LEU . 25294 1 39 . PHE . 25294 1 40 . ALA . 25294 1 41 . CYS . 25294 1 42 . LYS . 25294 1 43 . ASN . 25294 1 44 . TYR . 25294 1 45 . LYS . 25294 1 46 . SER . 25294 1 47 . PHE . 25294 1 48 . TRP . 25294 1 49 . ILE . 25294 1 50 . SER . 25294 1 51 . SER . 25294 1 52 . VAL . 25294 1 53 . LYS . 25294 1 54 . GLU . 25294 1 55 . GLU . 25294 1 56 . GLY . 25294 1 57 . LYS . 25294 1 58 . PHE . 25294 1 59 . LYS . 25294 1 60 . GLU . 25294 1 61 . ASN . 25294 1 62 . THR . 25294 1 63 . SER . 25294 1 64 . TYR . 25294 1 65 . LYS . 25294 1 66 . GLU . 25294 1 67 . PHE . 25294 1 68 . ASP . 25294 1 69 . GLY . 25294 1 70 . GLY . 25294 1 71 . TRP . 25294 1 72 . TYR . 25294 1 73 . LEU . 25294 1 74 . VAL . 25294 1 75 . LYS . 25294 1 76 . ILE . 25294 1 77 . GLU . 25294 1 78 . ASP . 25294 1 79 . ASN . 25294 1 80 . GLU . 25294 1 81 . LEU . 25294 1 82 . LYS . 25294 1 83 . VAL . 25294 1 84 . ILE . 25294 1 85 . ILE . 25294 1 86 . ASN . 25294 1 87 . ARG . 25294 1 88 . ASN . 25294 1 89 . GLU . 25294 1 90 . THR . 25294 1 91 . ASN . 25294 1 92 . ALA . 25294 1 93 . SER . 25294 1 94 . ARG . 25294 1 95 . SER . 25294 1 96 . PHE . 25294 1 97 . THR . 25294 1 98 . VAL . 25294 1 99 . CYS . 25294 1 100 . VAL . 25294 1 101 . GLU . 25294 1 102 . ALA . 25294 1 103 . GLY . 25294 1 104 . ASN . 25294 1 105 . ALA . 25294 1 106 . PHE . 25294 1 107 . ASP . 25294 1 108 . GLU . 25294 1 109 . PHE . 25294 1 110 . LYS . 25294 1 111 . PHE . 25294 1 112 . VAL . 25294 1 113 . GLN . 25294 1 114 . ASP . 25294 1 115 . ALA . 25294 1 116 . ALA . 25294 1 117 . LYS . 25294 1 118 . GLN . 25294 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 25294 1 . CYS 2 2 25294 1 . GLU 3 3 25294 1 . LEU 4 4 25294 1 . SER 5 5 25294 1 . ASP 6 6 25294 1 . PRO 7 7 25294 1 . ASP 8 8 25294 1 . GLY 9 9 25294 1 . LEU 10 10 25294 1 . ALA 11 11 25294 1 . ASP 12 12 25294 1 . PRO 13 13 25294 1 . MET 14 14 25294 1 . LYS 15 15 25294 1 . TRP 16 16 25294 1 . SER 17 17 25294 1 . LYS 18 18 25294 1 . VAL 19 19 25294 1 . PRO 20 20 25294 1 . SER 21 21 25294 1 . GLY 22 22 25294 1 . LEU 23 23 25294 1 . LYS 24 24 25294 1 . ASN 25 25 25294 1 . GLY 26 26 25294 1 . GLU 27 27 25294 1 . LEU 28 28 25294 1 . LYS 29 29 25294 1 . VAL 30 30 25294 1 . GLU 31 31 25294 1 . ALA 32 32 25294 1 . GLU 33 33 25294 1 . GLY 34 34 25294 1 . GLY 35 35 25294 1 . SER 36 36 25294 1 . SER 37 37 25294 1 . LEU 38 38 25294 1 . PHE 39 39 25294 1 . ALA 40 40 25294 1 . CYS 41 41 25294 1 . LYS 42 42 25294 1 . ASN 43 43 25294 1 . TYR 44 44 25294 1 . LYS 45 45 25294 1 . SER 46 46 25294 1 . PHE 47 47 25294 1 . TRP 48 48 25294 1 . ILE 49 49 25294 1 . SER 50 50 25294 1 . SER 51 51 25294 1 . VAL 52 52 25294 1 . LYS 53 53 25294 1 . GLU 54 54 25294 1 . GLU 55 55 25294 1 . GLY 56 56 25294 1 . LYS 57 57 25294 1 . PHE 58 58 25294 1 . LYS 59 59 25294 1 . GLU 60 60 25294 1 . ASN 61 61 25294 1 . THR 62 62 25294 1 . SER 63 63 25294 1 . TYR 64 64 25294 1 . LYS 65 65 25294 1 . GLU 66 66 25294 1 . PHE 67 67 25294 1 . ASP 68 68 25294 1 . GLY 69 69 25294 1 . GLY 70 70 25294 1 . TRP 71 71 25294 1 . TYR 72 72 25294 1 . LEU 73 73 25294 1 . VAL 74 74 25294 1 . LYS 75 75 25294 1 . ILE 76 76 25294 1 . GLU 77 77 25294 1 . ASP 78 78 25294 1 . ASN 79 79 25294 1 . GLU 80 80 25294 1 . LEU 81 81 25294 1 . LYS 82 82 25294 1 . VAL 83 83 25294 1 . ILE 84 84 25294 1 . ILE 85 85 25294 1 . ASN 86 86 25294 1 . ARG 87 87 25294 1 . ASN 88 88 25294 1 . GLU 89 89 25294 1 . THR 90 90 25294 1 . ASN 91 91 25294 1 . ALA 92 92 25294 1 . SER 93 93 25294 1 . ARG 94 94 25294 1 . SER 95 95 25294 1 . PHE 96 96 25294 1 . THR 97 97 25294 1 . VAL 98 98 25294 1 . CYS 99 99 25294 1 . VAL 100 100 25294 1 . GLU 101 101 25294 1 . ALA 102 102 25294 1 . GLY 103 103 25294 1 . ASN 104 104 25294 1 . ALA 105 105 25294 1 . PHE 106 106 25294 1 . ASP 107 107 25294 1 . GLU 108 108 25294 1 . PHE 109 109 25294 1 . LYS 110 110 25294 1 . PHE 111 111 25294 1 . VAL 112 112 25294 1 . GLN 113 113 25294 1 . ASP 114 114 25294 1 . ALA 115 115 25294 1 . ALA 116 116 25294 1 . LYS 117 117 25294 1 . GLN 118 118 25294 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 25294 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 818 organism . 'Bacteroides thetaiotaomicron' 'CFB group bacteria' . . Bacteria . Bacteroides thetaiotaomicron . . . . . . . . . . . . . . . . . . . . . 25294 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 25294 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . Pspeedet . . . . . . 25294 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25294 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 25294 1 2 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 25294 1 3 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 25294 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 25294 1 5 DTT '[U-99% 2H]' . . . . . . 5 . . mM . . . . 25294 1 6 H2O 'natural abundance' . . . . . . 95 . . % . . . . 25294 1 7 D2O 'natural abundance' . . . . . . 5 . . % . . . . 25294 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 25294 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID temperature 298 . K 25294 1 pH 6.0 . pH 25294 1 pressure 1 . atm 25294 1 'ionic strength' 0.220 . M 25294 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 25294 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 25294 1 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 25294 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 25294 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 25294 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 25294 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 25294 2 processing 25294 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 25294 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 25294 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25294 3 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 25294 _Software.ID 4 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 25294 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25294 4 'structure solution' 25294 4 stop_ save_ save_MDDNMR _Software.Sf_category software _Software.Sf_framecode MDDNMR _Software.Entry_ID 25294 _Software.ID 5 _Software.Name MDDNMR _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Maxim Mayzel, Vladislav Orekhov' . . 25294 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25294 5 stop_ save_ save_NMRDraw _Software.Sf_category software _Software.Sf_framecode NMRDraw _Software.Entry_ID 25294 _Software.ID 6 _Software.Name NMRDraw _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25294 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25294 6 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 25294 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 25294 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 25294 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 25294 1 2 spectrometer_2 Bruker Avance . 800 . . . 25294 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 25294 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25294 1 2 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25294 1 3 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25294 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25294 1 5 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25294 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25294 1 7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25294 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 25294 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 25294 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 25294 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 25294 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 25294 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 25294 1 2 '3D 1H-13C NOESY aliphatic' . . . 25294 1 3 '3D 1H-13C NOESY aromatic' . . . 25294 1 4 '3D 1H-15N NOESY' . . . 25294 1 5 'APSY 4D-HACANH' . . . 25294 1 6 'APSY 5D-CBCACONH' . . . 25294 1 7 'APSY 5D-HACACONH' . . . 25294 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 5 5 SER H H 1 8.148 0.025 . . . . . A 5 SER H . 25294 1 2 . 1 1 5 5 SER HA H 1 4.349 0.025 . . . . . A 5 SER HA . 25294 1 3 . 1 1 5 5 SER HB2 H 1 3.749 0.025 . . . . . A 5 SER HB2 . 25294 1 4 . 1 1 5 5 SER HB3 H 1 3.749 0.025 . . . . . A 5 SER HB3 . 25294 1 5 . 1 1 5 5 SER CA C 13 55.478 0.148 . . . . . A 5 SER CA . 25294 1 6 . 1 1 5 5 SER CB C 13 61.191 0.148 . . . . . A 5 SER CB . 25294 1 7 . 1 1 5 5 SER N N 15 116.267 0.125 . . . . . A 5 SER N . 25294 1 8 . 1 1 6 6 ASP H H 1 8.246 0.025 . . . . . A 6 ASP H . 25294 1 9 . 1 1 6 6 ASP HA H 1 4.827 0.025 . . . . . A 6 ASP HA . 25294 1 10 . 1 1 6 6 ASP HB2 H 1 2.475 0.025 . . . . . A 6 ASP HB2 . 25294 1 11 . 1 1 6 6 ASP HB3 H 1 2.660 0.025 . . . . . A 6 ASP HB3 . 25294 1 12 . 1 1 6 6 ASP CA C 13 49.671 0.148 . . . . . A 6 ASP CA . 25294 1 13 . 1 1 6 6 ASP CB C 13 38.656 0.148 . . . . . A 6 ASP CB . 25294 1 14 . 1 1 6 6 ASP N N 15 123.039 0.125 . . . . . A 6 ASP N . 25294 1 15 . 1 1 7 7 PRO HA H 1 4.317 0.025 . . . . . A 7 PRO HA . 25294 1 16 . 1 1 7 7 PRO HB2 H 1 1.902 0.025 . . . . . A 7 PRO HB2 . 25294 1 17 . 1 1 7 7 PRO HB3 H 1 2.215 0.025 . . . . . A 7 PRO HB3 . 25294 1 18 . 1 1 7 7 PRO HG2 H 1 1.940 0.025 . . . . . A 7 PRO HG2 . 25294 1 19 . 1 1 7 7 PRO HG3 H 1 1.940 0.025 . . . . . A 7 PRO HG3 . 25294 1 20 . 1 1 7 7 PRO HD2 H 1 3.728 0.025 . . . . . A 7 PRO HD2 . 25294 1 21 . 1 1 7 7 PRO HD3 H 1 3.728 0.025 . . . . . A 7 PRO HD3 . 25294 1 22 . 1 1 7 7 PRO CA C 13 61.147 0.148 . . . . . A 7 PRO CA . 25294 1 23 . 1 1 7 7 PRO CB C 13 29.478 0.148 . . . . . A 7 PRO CB . 25294 1 24 . 1 1 7 7 PRO CG C 13 24.716 0.148 . . . . . A 7 PRO CG . 25294 1 25 . 1 1 7 7 PRO CD C 13 48.017 0.148 . . . . . A 7 PRO CD . 25294 1 26 . 1 1 8 8 ASP H H 1 8.314 0.025 . . . . . A 8 ASP H . 25294 1 27 . 1 1 8 8 ASP HA H 1 4.565 0.025 . . . . . A 8 ASP HA . 25294 1 28 . 1 1 8 8 ASP HB2 H 1 2.665 0.025 . . . . . A 8 ASP HB2 . 25294 1 29 . 1 1 8 8 ASP HB3 H 1 2.570 0.025 . . . . . A 8 ASP HB3 . 25294 1 30 . 1 1 8 8 ASP CA C 13 51.860 0.148 . . . . . A 8 ASP CA . 25294 1 31 . 1 1 8 8 ASP CB C 13 38.725 0.148 . . . . . A 8 ASP CB . 25294 1 32 . 1 1 8 8 ASP N N 15 119.159 0.125 . . . . . A 8 ASP N . 25294 1 33 . 1 1 9 9 GLY H H 1 8.043 0.025 . . . . . A 9 GLY H . 25294 1 34 . 1 1 9 9 GLY HA3 H 1 3.912 0.025 . . . . . A 9 GLY HA3 . 25294 1 35 . 1 1 9 9 GLY CA C 13 43.136 0.148 . . . . . A 9 GLY CA . 25294 1 36 . 1 1 9 9 GLY N N 15 108.837 0.125 . . . . . A 9 GLY N . 25294 1 37 . 1 1 10 10 LEU H H 1 8.047 0.025 . . . . . A 10 LEU H . 25294 1 38 . 1 1 10 10 LEU HA H 1 4.267 0.025 . . . . . A 10 LEU HA . 25294 1 39 . 1 1 10 10 LEU HB2 H 1 1.578 0.025 . . . . . A 10 LEU HB2 . 25294 1 40 . 1 1 10 10 LEU HB3 H 1 1.510 0.025 . . . . . A 10 LEU HB3 . 25294 1 41 . 1 1 10 10 LEU HG H 1 1.534 0.025 . . . . . A 10 LEU HG . 25294 1 42 . 1 1 10 10 LEU HD11 H 1 0.848 0.025 . . . . . A 10 LEU HD11 . 25294 1 43 . 1 1 10 10 LEU HD12 H 1 0.848 0.025 . . . . . A 10 LEU HD12 . 25294 1 44 . 1 1 10 10 LEU HD13 H 1 0.848 0.025 . . . . . A 10 LEU HD13 . 25294 1 45 . 1 1 10 10 LEU HD21 H 1 0.789 0.025 . . . . . A 10 LEU HD21 . 25294 1 46 . 1 1 10 10 LEU HD22 H 1 0.789 0.025 . . . . . A 10 LEU HD22 . 25294 1 47 . 1 1 10 10 LEU HD23 H 1 0.789 0.025 . . . . . A 10 LEU HD23 . 25294 1 48 . 1 1 10 10 LEU CA C 13 52.391 0.148 . . . . . A 10 LEU CA . 25294 1 49 . 1 1 10 10 LEU CB C 13 39.863 0.148 . . . . . A 10 LEU CB . 25294 1 50 . 1 1 10 10 LEU CG C 13 24.385 0.148 . . . . . A 10 LEU CG . 25294 1 51 . 1 1 10 10 LEU CD1 C 13 22.403 0.148 . . . . . A 10 LEU CD1 . 25294 1 52 . 1 1 10 10 LEU CD2 C 13 20.888 0.148 . . . . . A 10 LEU CD2 . 25294 1 53 . 1 1 10 10 LEU N N 15 121.571 0.125 . . . . . A 10 LEU N . 25294 1 54 . 1 1 11 11 ALA H H 1 8.330 0.025 . . . . . A 11 ALA H . 25294 1 55 . 1 1 11 11 ALA HA H 1 4.336 0.025 . . . . . A 11 ALA HA . 25294 1 56 . 1 1 11 11 ALA HB1 H 1 1.265 0.025 . . . . . A 11 ALA HB1 . 25294 1 57 . 1 1 11 11 ALA HB2 H 1 1.265 0.025 . . . . . A 11 ALA HB2 . 25294 1 58 . 1 1 11 11 ALA HB3 H 1 1.265 0.025 . . . . . A 11 ALA HB3 . 25294 1 59 . 1 1 11 11 ALA CA C 13 48.984 0.148 . . . . . A 11 ALA CA . 25294 1 60 . 1 1 11 11 ALA CB C 13 17.182 0.148 . . . . . A 11 ALA CB . 25294 1 61 . 1 1 11 11 ALA N N 15 125.169 0.125 . . . . . A 11 ALA N . 25294 1 62 . 1 1 12 12 ASP H H 1 8.187 0.025 . . . . . A 12 ASP H . 25294 1 63 . 1 1 12 12 ASP HA H 1 4.736 0.025 . . . . . A 12 ASP HA . 25294 1 64 . 1 1 12 12 ASP HB2 H 1 2.402 0.025 . . . . . A 12 ASP HB2 . 25294 1 65 . 1 1 12 12 ASP HB3 H 1 2.506 0.025 . . . . . A 12 ASP HB3 . 25294 1 66 . 1 1 12 12 ASP CA C 13 49.702 0.148 . . . . . A 12 ASP CA . 25294 1 67 . 1 1 12 12 ASP CB C 13 37.831 0.148 . . . . . A 12 ASP CB . 25294 1 68 . 1 1 12 12 ASP N N 15 122.672 0.125 . . . . . A 12 ASP N . 25294 1 69 . 1 1 13 13 PRO HA H 1 4.304 0.025 . . . . . A 13 PRO HA . 25294 1 70 . 1 1 13 13 PRO HB2 H 1 1.654 0.025 . . . . . A 13 PRO HB2 . 25294 1 71 . 1 1 13 13 PRO HB3 H 1 2.255 0.025 . . . . . A 13 PRO HB3 . 25294 1 72 . 1 1 13 13 PRO HG2 H 1 1.944 0.025 . . . . . A 13 PRO HG2 . 25294 1 73 . 1 1 13 13 PRO HG3 H 1 1.883 0.025 . . . . . A 13 PRO HG3 . 25294 1 74 . 1 1 13 13 PRO HD2 H 1 3.857 0.025 . . . . . A 13 PRO HD2 . 25294 1 75 . 1 1 13 13 PRO HD3 H 1 3.619 0.025 . . . . . A 13 PRO HD3 . 25294 1 76 . 1 1 13 13 PRO CA C 13 59.600 0.148 . . . . . A 13 PRO CA . 25294 1 77 . 1 1 13 13 PRO CB C 13 29.516 0.148 . . . . . A 13 PRO CB . 25294 1 78 . 1 1 13 13 PRO CG C 13 24.801 0.148 . . . . . A 13 PRO CG . 25294 1 79 . 1 1 13 13 PRO CD C 13 47.977 0.148 . . . . . A 13 PRO CD . 25294 1 80 . 1 1 14 14 MET H H 1 8.720 0.025 . . . . . A 14 MET H . 25294 1 81 . 1 1 14 14 MET HA H 1 3.780 0.025 . . . . . A 14 MET HA . 25294 1 82 . 1 1 14 14 MET HB2 H 1 1.714 0.025 . . . . . A 14 MET HB2 . 25294 1 83 . 1 1 14 14 MET HB3 H 1 1.782 0.025 . . . . . A 14 MET HB3 . 25294 1 84 . 1 1 14 14 MET HG2 H 1 2.172 0.025 . . . . . A 14 MET HG2 . 25294 1 85 . 1 1 14 14 MET HG3 H 1 1.249 0.025 . . . . . A 14 MET HG3 . 25294 1 86 . 1 1 14 14 MET HE1 H 1 1.129 0.025 . . . . . A 14 MET HE1 . 25294 1 87 . 1 1 14 14 MET HE2 H 1 1.129 0.025 . . . . . A 14 MET HE2 . 25294 1 88 . 1 1 14 14 MET HE3 H 1 1.129 0.025 . . . . . A 14 MET HE3 . 25294 1 89 . 1 1 14 14 MET CA C 13 55.822 0.148 . . . . . A 14 MET CA . 25294 1 90 . 1 1 14 14 MET CB C 13 30.909 0.148 . . . . . A 14 MET CB . 25294 1 91 . 1 1 14 14 MET CG C 13 30.787 0.148 . . . . . A 14 MET CG . 25294 1 92 . 1 1 14 14 MET CE C 13 16.001 0.148 . . . . . A 14 MET CE . 25294 1 93 . 1 1 14 14 MET N N 15 120.151 0.125 . . . . . A 14 MET N . 25294 1 94 . 1 1 15 15 LYS H H 1 8.565 0.025 . . . . . A 15 LYS H . 25294 1 95 . 1 1 15 15 LYS HA H 1 4.457 0.025 . . . . . A 15 LYS HA . 25294 1 96 . 1 1 15 15 LYS HB2 H 1 1.565 0.025 . . . . . A 15 LYS HB2 . 25294 1 97 . 1 1 15 15 LYS HB3 H 1 1.177 0.025 . . . . . A 15 LYS HB3 . 25294 1 98 . 1 1 15 15 LYS HG2 H 1 1.212 0.025 . . . . . A 15 LYS HG2 . 25294 1 99 . 1 1 15 15 LYS HG3 H 1 1.212 0.025 . . . . . A 15 LYS HG3 . 25294 1 100 . 1 1 15 15 LYS HD2 H 1 1.425 0.025 . . . . . A 15 LYS HD2 . 25294 1 101 . 1 1 15 15 LYS HD3 H 1 1.425 0.025 . . . . . A 15 LYS HD3 . 25294 1 102 . 1 1 15 15 LYS HE2 H 1 2.814 0.025 . . . . . A 15 LYS HE2 . 25294 1 103 . 1 1 15 15 LYS HE3 H 1 2.814 0.025 . . . . . A 15 LYS HE3 . 25294 1 104 . 1 1 15 15 LYS CA C 13 51.407 0.148 . . . . . A 15 LYS CA . 25294 1 105 . 1 1 15 15 LYS CB C 13 32.453 0.148 . . . . . A 15 LYS CB . 25294 1 106 . 1 1 15 15 LYS CG C 13 22.161 0.148 . . . . . A 15 LYS CG . 25294 1 107 . 1 1 15 15 LYS CD C 13 26.660 0.148 . . . . . A 15 LYS CD . 25294 1 108 . 1 1 15 15 LYS CE C 13 39.562 0.148 . . . . . A 15 LYS CE . 25294 1 109 . 1 1 15 15 LYS N N 15 123.897 0.125 . . . . . A 15 LYS N . 25294 1 110 . 1 1 16 16 TRP H H 1 9.036 0.025 . . . . . A 16 TRP H . 25294 1 111 . 1 1 16 16 TRP HA H 1 5.075 0.025 . . . . . A 16 TRP HA . 25294 1 112 . 1 1 16 16 TRP HB2 H 1 2.889 0.025 . . . . . A 16 TRP HB2 . 25294 1 113 . 1 1 16 16 TRP HB3 H 1 3.244 0.025 . . . . . A 16 TRP HB3 . 25294 1 114 . 1 1 16 16 TRP HD1 H 1 7.225 0.025 . . . . . A 16 TRP HD1 . 25294 1 115 . 1 1 16 16 TRP HE1 H 1 10.857 0.025 . . . . . A 16 TRP HE1 . 25294 1 116 . 1 1 16 16 TRP HE3 H 1 7.361 0.025 . . . . . A 16 TRP HE3 . 25294 1 117 . 1 1 16 16 TRP HZ2 H 1 7.057 0.025 . . . . . A 16 TRP HZ2 . 25294 1 118 . 1 1 16 16 TRP HZ3 H 1 6.640 0.025 . . . . . A 16 TRP HZ3 . 25294 1 119 . 1 1 16 16 TRP HH2 H 1 5.893 0.025 . . . . . A 16 TRP HH2 . 25294 1 120 . 1 1 16 16 TRP CA C 13 53.652 0.148 . . . . . A 16 TRP CA . 25294 1 121 . 1 1 16 16 TRP CB C 13 28.000 0.148 . . . . . A 16 TRP CB . 25294 1 122 . 1 1 16 16 TRP CD1 C 13 125.694 0.148 . . . . . A 16 TRP CD1 . 25294 1 123 . 1 1 16 16 TRP CE3 C 13 116.724 0.148 . . . . . A 16 TRP CE3 . 25294 1 124 . 1 1 16 16 TRP CZ2 C 13 111.053 0.148 . . . . . A 16 TRP CZ2 . 25294 1 125 . 1 1 16 16 TRP CZ3 C 13 118.286 0.148 . . . . . A 16 TRP CZ3 . 25294 1 126 . 1 1 16 16 TRP CH2 C 13 120.053 0.148 . . . . . A 16 TRP CH2 . 25294 1 127 . 1 1 16 16 TRP N N 15 125.776 0.125 . . . . . A 16 TRP N . 25294 1 128 . 1 1 16 16 TRP NE1 N 15 131.684 0.125 . . . . . A 16 TRP NE1 . 25294 1 129 . 1 1 17 17 SER H H 1 9.093 0.025 . . . . . A 17 SER H . 25294 1 130 . 1 1 17 17 SER HA H 1 4.403 0.025 . . . . . A 17 SER HA . 25294 1 131 . 1 1 17 17 SER HB2 H 1 3.928 0.025 . . . . . A 17 SER HB2 . 25294 1 132 . 1 1 17 17 SER HB3 H 1 3.633 0.025 . . . . . A 17 SER HB3 . 25294 1 133 . 1 1 17 17 SER CA C 13 56.167 0.148 . . . . . A 17 SER CA . 25294 1 134 . 1 1 17 17 SER CB C 13 60.833 0.148 . . . . . A 17 SER CB . 25294 1 135 . 1 1 17 17 SER N N 15 120.772 0.125 . . . . . A 17 SER N . 25294 1 136 . 1 1 18 18 LYS H H 1 7.652 0.025 . . . . . A 18 LYS H . 25294 1 137 . 1 1 18 18 LYS HA H 1 4.718 0.025 . . . . . A 18 LYS HA . 25294 1 138 . 1 1 18 18 LYS HB2 H 1 1.670 0.025 . . . . . A 18 LYS HB2 . 25294 1 139 . 1 1 18 18 LYS HB3 H 1 1.670 0.025 . . . . . A 18 LYS HB3 . 25294 1 140 . 1 1 18 18 LYS HG2 H 1 1.290 0.025 . . . . . A 18 LYS HG2 . 25294 1 141 . 1 1 18 18 LYS HG3 H 1 1.344 0.025 . . . . . A 18 LYS HG3 . 25294 1 142 . 1 1 18 18 LYS HD2 H 1 1.515 0.025 . . . . . A 18 LYS HD2 . 25294 1 143 . 1 1 18 18 LYS HD3 H 1 1.515 0.025 . . . . . A 18 LYS HD3 . 25294 1 144 . 1 1 18 18 LYS HE2 H 1 2.840 0.025 . . . . . A 18 LYS HE2 . 25294 1 145 . 1 1 18 18 LYS HE3 H 1 2.840 0.025 . . . . . A 18 LYS HE3 . 25294 1 146 . 1 1 18 18 LYS CA C 13 53.735 0.148 . . . . . A 18 LYS CA . 25294 1 147 . 1 1 18 18 LYS CB C 13 32.917 0.148 . . . . . A 18 LYS CB . 25294 1 148 . 1 1 18 18 LYS CG C 13 22.051 0.148 . . . . . A 18 LYS CG . 25294 1 149 . 1 1 18 18 LYS CD C 13 26.793 0.148 . . . . . A 18 LYS CD . 25294 1 150 . 1 1 18 18 LYS CE C 13 39.704 0.148 . . . . . A 18 LYS CE . 25294 1 151 . 1 1 18 18 LYS N N 15 121.096 0.125 . . . . . A 18 LYS N . 25294 1 152 . 1 1 19 19 VAL H H 1 8.032 0.025 . . . . . A 19 VAL H . 25294 1 153 . 1 1 19 19 VAL HA H 1 4.423 0.025 . . . . . A 19 VAL HA . 25294 1 154 . 1 1 19 19 VAL HB H 1 1.740 0.025 . . . . . A 19 VAL HB . 25294 1 155 . 1 1 19 19 VAL HG11 H 1 0.861 0.025 . . . . . A 19 VAL HG11 . 25294 1 156 . 1 1 19 19 VAL HG12 H 1 0.861 0.025 . . . . . A 19 VAL HG12 . 25294 1 157 . 1 1 19 19 VAL HG13 H 1 0.861 0.025 . . . . . A 19 VAL HG13 . 25294 1 158 . 1 1 19 19 VAL HG21 H 1 0.675 0.025 . . . . . A 19 VAL HG21 . 25294 1 159 . 1 1 19 19 VAL HG22 H 1 0.675 0.025 . . . . . A 19 VAL HG22 . 25294 1 160 . 1 1 19 19 VAL HG23 H 1 0.675 0.025 . . . . . A 19 VAL HG23 . 25294 1 161 . 1 1 19 19 VAL CA C 13 55.230 0.148 . . . . . A 19 VAL CA . 25294 1 162 . 1 1 19 19 VAL CB C 13 31.026 0.148 . . . . . A 19 VAL CB . 25294 1 163 . 1 1 19 19 VAL CG1 C 13 20.332 0.148 . . . . . A 19 VAL CG1 . 25294 1 164 . 1 1 19 19 VAL CG2 C 13 15.475 0.148 . . . . . A 19 VAL CG2 . 25294 1 165 . 1 1 19 19 VAL N N 15 116.358 0.125 . . . . . A 19 VAL N . 25294 1 166 . 1 1 20 20 PRO HA H 1 4.303 0.025 . . . . . A 20 PRO HA . 25294 1 167 . 1 1 20 20 PRO HB2 H 1 2.218 0.025 . . . . . A 20 PRO HB2 . 25294 1 168 . 1 1 20 20 PRO HB3 H 1 1.530 0.025 . . . . . A 20 PRO HB3 . 25294 1 169 . 1 1 20 20 PRO HG2 H 1 1.319 0.025 . . . . . A 20 PRO HG2 . 25294 1 170 . 1 1 20 20 PRO HG3 H 1 1.319 0.025 . . . . . A 20 PRO HG3 . 25294 1 171 . 1 1 20 20 PRO HD2 H 1 2.281 0.025 . . . . . A 20 PRO HD2 . 25294 1 172 . 1 1 20 20 PRO HD3 H 1 2.084 0.025 . . . . . A 20 PRO HD3 . 25294 1 173 . 1 1 20 20 PRO CA C 13 59.770 0.148 . . . . . A 20 PRO CA . 25294 1 174 . 1 1 20 20 PRO CB C 13 29.553 0.148 . . . . . A 20 PRO CB . 25294 1 175 . 1 1 20 20 PRO CG C 13 26.311 0.148 . . . . . A 20 PRO CG . 25294 1 176 . 1 1 20 20 PRO CD C 13 47.054 0.148 . . . . . A 20 PRO CD . 25294 1 177 . 1 1 21 21 SER H H 1 8.660 0.025 . . . . . A 21 SER H . 25294 1 178 . 1 1 21 21 SER HA H 1 4.084 0.025 . . . . . A 21 SER HA . 25294 1 179 . 1 1 21 21 SER HB2 H 1 3.830 0.025 . . . . . A 21 SER HB2 . 25294 1 180 . 1 1 21 21 SER HB3 H 1 3.830 0.025 . . . . . A 21 SER HB3 . 25294 1 181 . 1 1 21 21 SER CA C 13 57.657 0.148 . . . . . A 21 SER CA . 25294 1 182 . 1 1 21 21 SER CB C 13 60.173 0.148 . . . . . A 21 SER CB . 25294 1 183 . 1 1 21 21 SER N N 15 118.882 0.125 . . . . . A 21 SER N . 25294 1 184 . 1 1 22 22 GLY H H 1 8.496 0.025 . . . . . A 22 GLY H . 25294 1 185 . 1 1 22 22 GLY HA3 H 1 3.808 0.025 . . . . . A 22 GLY HA3 . 25294 1 186 . 1 1 22 22 GLY CA C 13 42.404 0.148 . . . . . A 22 GLY CA . 25294 1 187 . 1 1 22 22 GLY N N 15 109.523 0.125 . . . . . A 22 GLY N . 25294 1 188 . 1 1 23 23 LEU H H 1 7.188 0.025 . . . . . A 23 LEU H . 25294 1 189 . 1 1 23 23 LEU HA H 1 4.034 0.025 . . . . . A 23 LEU HA . 25294 1 190 . 1 1 23 23 LEU HB2 H 1 1.752 0.025 . . . . . A 23 LEU HB2 . 25294 1 191 . 1 1 23 23 LEU HB3 H 1 1.022 0.025 . . . . . A 23 LEU HB3 . 25294 1 192 . 1 1 23 23 LEU HG H 1 1.372 0.025 . . . . . A 23 LEU HG . 25294 1 193 . 1 1 23 23 LEU HD11 H 1 0.650 0.025 . . . . . A 23 LEU HD11 . 25294 1 194 . 1 1 23 23 LEU HD12 H 1 0.650 0.025 . . . . . A 23 LEU HD12 . 25294 1 195 . 1 1 23 23 LEU HD13 H 1 0.650 0.025 . . . . . A 23 LEU HD13 . 25294 1 196 . 1 1 23 23 LEU HD21 H 1 0.830 0.025 . . . . . A 23 LEU HD21 . 25294 1 197 . 1 1 23 23 LEU HD22 H 1 0.830 0.025 . . . . . A 23 LEU HD22 . 25294 1 198 . 1 1 23 23 LEU HD23 H 1 0.830 0.025 . . . . . A 23 LEU HD23 . 25294 1 199 . 1 1 23 23 LEU CA C 13 53.603 0.148 . . . . . A 23 LEU CA . 25294 1 200 . 1 1 23 23 LEU CB C 13 40.071 0.148 . . . . . A 23 LEU CB . 25294 1 201 . 1 1 23 23 LEU CG C 13 24.282 0.148 . . . . . A 23 LEU CG . 25294 1 202 . 1 1 23 23 LEU CD1 C 13 21.673 0.148 . . . . . A 23 LEU CD1 . 25294 1 203 . 1 1 23 23 LEU CD2 C 13 24.312 0.148 . . . . . A 23 LEU CD2 . 25294 1 204 . 1 1 23 23 LEU N N 15 123.003 0.125 . . . . . A 23 LEU N . 25294 1 205 . 1 1 24 24 LYS H H 1 8.725 0.025 . . . . . A 24 LYS H . 25294 1 206 . 1 1 24 24 LYS HA H 1 4.510 0.025 . . . . . A 24 LYS HA . 25294 1 207 . 1 1 24 24 LYS HB2 H 1 1.748 0.025 . . . . . A 24 LYS HB2 . 25294 1 208 . 1 1 24 24 LYS HB3 H 1 1.652 0.025 . . . . . A 24 LYS HB3 . 25294 1 209 . 1 1 24 24 LYS CA C 13 53.237 0.148 . . . . . A 24 LYS CA . 25294 1 210 . 1 1 24 24 LYS CB C 13 32.161 0.148 . . . . . A 24 LYS CB . 25294 1 211 . 1 1 24 24 LYS N N 15 129.004 0.125 . . . . . A 24 LYS N . 25294 1 212 . 1 1 25 25 ASN H H 1 9.528 0.025 . . . . . A 25 ASN H . 25294 1 213 . 1 1 25 25 ASN HA H 1 4.324 0.025 . . . . . A 25 ASN HA . 25294 1 214 . 1 1 25 25 ASN HB2 H 1 2.961 0.025 . . . . . A 25 ASN HB2 . 25294 1 215 . 1 1 25 25 ASN HB3 H 1 2.726 0.025 . . . . . A 25 ASN HB3 . 25294 1 216 . 1 1 25 25 ASN HD21 H 1 6.835 0.025 . . . . . A 25 ASN HD21 . 25294 1 217 . 1 1 25 25 ASN HD22 H 1 7.631 0.025 . . . . . A 25 ASN HD22 . 25294 1 218 . 1 1 25 25 ASN CA C 13 51.620 0.148 . . . . . A 25 ASN CA . 25294 1 219 . 1 1 25 25 ASN CB C 13 34.985 0.148 . . . . . A 25 ASN CB . 25294 1 220 . 1 1 25 25 ASN N N 15 126.336 0.125 . . . . . A 25 ASN N . 25294 1 221 . 1 1 25 25 ASN ND2 N 15 113.017 0.125 . . . . . A 25 ASN ND2 . 25294 1 222 . 1 1 26 26 GLY H H 1 8.601 0.025 . . . . . A 26 GLY H . 25294 1 223 . 1 1 26 26 GLY HA3 H 1 4.080 0.025 . . . . . A 26 GLY HA3 . 25294 1 224 . 1 1 26 26 GLY CA C 13 43.549 0.148 . . . . . A 26 GLY CA . 25294 1 225 . 1 1 26 26 GLY N N 15 103.076 0.125 . . . . . A 26 GLY N . 25294 1 226 . 1 1 27 27 GLU H H 1 7.760 0.025 . . . . . A 27 GLU H . 25294 1 227 . 1 1 27 27 GLU HA H 1 5.202 0.025 . . . . . A 27 GLU HA . 25294 1 228 . 1 1 27 27 GLU HB2 H 1 1.867 0.025 . . . . . A 27 GLU HB2 . 25294 1 229 . 1 1 27 27 GLU HB3 H 1 1.758 0.025 . . . . . A 27 GLU HB3 . 25294 1 230 . 1 1 27 27 GLU HG2 H 1 1.775 0.025 . . . . . A 27 GLU HG2 . 25294 1 231 . 1 1 27 27 GLU HG3 H 1 1.864 0.025 . . . . . A 27 GLU HG3 . 25294 1 232 . 1 1 27 27 GLU CA C 13 51.233 0.148 . . . . . A 27 GLU CA . 25294 1 233 . 1 1 27 27 GLU CB C 13 30.761 0.148 . . . . . A 27 GLU CB . 25294 1 234 . 1 1 27 27 GLU CG C 13 34.523 0.148 . . . . . A 27 GLU CG . 25294 1 235 . 1 1 27 27 GLU N N 15 120.878 0.125 . . . . . A 27 GLU N . 25294 1 236 . 1 1 28 28 LEU H H 1 8.899 0.025 . . . . . A 28 LEU H . 25294 1 237 . 1 1 28 28 LEU HA H 1 4.555 0.025 . . . . . A 28 LEU HA . 25294 1 238 . 1 1 28 28 LEU HB2 H 1 1.574 0.025 . . . . . A 28 LEU HB2 . 25294 1 239 . 1 1 28 28 LEU HB3 H 1 0.633 0.025 . . . . . A 28 LEU HB3 . 25294 1 240 . 1 1 28 28 LEU HD11 H 1 0.650 0.025 . . . . . A 28 LEU HD11 . 25294 1 241 . 1 1 28 28 LEU HD12 H 1 0.650 0.025 . . . . . A 28 LEU HD12 . 25294 1 242 . 1 1 28 28 LEU HD13 H 1 0.650 0.025 . . . . . A 28 LEU HD13 . 25294 1 243 . 1 1 28 28 LEU HD21 H 1 0.565 0.025 . . . . . A 28 LEU HD21 . 25294 1 244 . 1 1 28 28 LEU HD22 H 1 0.565 0.025 . . . . . A 28 LEU HD22 . 25294 1 245 . 1 1 28 28 LEU HD23 H 1 0.565 0.025 . . . . . A 28 LEU HD23 . 25294 1 246 . 1 1 28 28 LEU CA C 13 50.324 0.148 . . . . . A 28 LEU CA . 25294 1 247 . 1 1 28 28 LEU CB C 13 43.517 0.148 . . . . . A 28 LEU CB . 25294 1 248 . 1 1 28 28 LEU CG C 13 24.127 0.148 . . . . . A 28 LEU CG . 25294 1 249 . 1 1 28 28 LEU CD1 C 13 21.259 0.148 . . . . . A 28 LEU CD1 . 25294 1 250 . 1 1 28 28 LEU CD2 C 13 21.739 0.148 . . . . . A 28 LEU CD2 . 25294 1 251 . 1 1 28 28 LEU N N 15 128.583 0.125 . . . . . A 28 LEU N . 25294 1 252 . 1 1 29 29 LYS H H 1 8.270 0.025 . . . . . A 29 LYS H . 25294 1 253 . 1 1 29 29 LYS HA H 1 4.901 0.025 . . . . . A 29 LYS HA . 25294 1 254 . 1 1 29 29 LYS HB2 H 1 1.657 0.025 . . . . . A 29 LYS HB2 . 25294 1 255 . 1 1 29 29 LYS HB3 H 1 1.733 0.025 . . . . . A 29 LYS HB3 . 25294 1 256 . 1 1 29 29 LYS HG2 H 1 1.454 0.025 . . . . . A 29 LYS HG2 . 25294 1 257 . 1 1 29 29 LYS HG3 H 1 1.215 0.025 . . . . . A 29 LYS HG3 . 25294 1 258 . 1 1 29 29 LYS HD2 H 1 1.606 0.025 . . . . . A 29 LYS HD2 . 25294 1 259 . 1 1 29 29 LYS HD3 H 1 1.606 0.025 . . . . . A 29 LYS HD3 . 25294 1 260 . 1 1 29 29 LYS HE2 H 1 2.914 0.025 . . . . . A 29 LYS HE2 . 25294 1 261 . 1 1 29 29 LYS HE3 H 1 2.914 0.025 . . . . . A 29 LYS HE3 . 25294 1 262 . 1 1 29 29 LYS CA C 13 52.839 0.148 . . . . . A 29 LYS CA . 25294 1 263 . 1 1 29 29 LYS CB C 13 29.523 0.148 . . . . . A 29 LYS CB . 25294 1 264 . 1 1 29 29 LYS CG C 13 22.032 0.148 . . . . . A 29 LYS CG . 25294 1 265 . 1 1 29 29 LYS CD C 13 26.450 0.148 . . . . . A 29 LYS CD . 25294 1 266 . 1 1 29 29 LYS CE C 13 39.278 0.148 . . . . . A 29 LYS CE . 25294 1 267 . 1 1 29 29 LYS N N 15 127.554 0.125 . . . . . A 29 LYS N . 25294 1 268 . 1 1 30 30 VAL H H 1 9.016 0.025 . . . . . A 30 VAL H . 25294 1 269 . 1 1 30 30 VAL HA H 1 4.184 0.025 . . . . . A 30 VAL HA . 25294 1 270 . 1 1 30 30 VAL HB H 1 1.633 0.025 . . . . . A 30 VAL HB . 25294 1 271 . 1 1 30 30 VAL HG11 H 1 1.163 0.025 . . . . . A 30 VAL HG11 . 25294 1 272 . 1 1 30 30 VAL HG12 H 1 1.163 0.025 . . . . . A 30 VAL HG12 . 25294 1 273 . 1 1 30 30 VAL HG13 H 1 1.163 0.025 . . . . . A 30 VAL HG13 . 25294 1 274 . 1 1 30 30 VAL HG21 H 1 0.950 0.025 . . . . . A 30 VAL HG21 . 25294 1 275 . 1 1 30 30 VAL HG22 H 1 0.950 0.025 . . . . . A 30 VAL HG22 . 25294 1 276 . 1 1 30 30 VAL HG23 H 1 0.950 0.025 . . . . . A 30 VAL HG23 . 25294 1 277 . 1 1 30 30 VAL CA C 13 58.308 0.148 . . . . . A 30 VAL CA . 25294 1 278 . 1 1 30 30 VAL CB C 13 32.270 0.148 . . . . . A 30 VAL CB . 25294 1 279 . 1 1 30 30 VAL CG1 C 13 17.417 0.148 . . . . . A 30 VAL CG1 . 25294 1 280 . 1 1 30 30 VAL CG2 C 13 18.386 0.148 . . . . . A 30 VAL CG2 . 25294 1 281 . 1 1 30 30 VAL N N 15 127.915 0.125 . . . . . A 30 VAL N . 25294 1 282 . 1 1 31 31 GLU H H 1 8.741 0.025 . . . . . A 31 GLU H . 25294 1 283 . 1 1 31 31 GLU HA H 1 4.361 0.025 . . . . . A 31 GLU HA . 25294 1 284 . 1 1 31 31 GLU HB2 H 1 2.047 0.025 . . . . . A 31 GLU HB2 . 25294 1 285 . 1 1 31 31 GLU HB3 H 1 2.474 0.025 . . . . . A 31 GLU HB3 . 25294 1 286 . 1 1 31 31 GLU HG2 H 1 2.456 0.025 . . . . . A 31 GLU HG2 . 25294 1 287 . 1 1 31 31 GLU HG3 H 1 2.407 0.025 . . . . . A 31 GLU HG3 . 25294 1 288 . 1 1 31 31 GLU CA C 13 54.100 0.148 . . . . . A 31 GLU CA . 25294 1 289 . 1 1 31 31 GLU CB C 13 27.703 0.148 . . . . . A 31 GLU CB . 25294 1 290 . 1 1 31 31 GLU CG C 13 34.464 0.148 . . . . . A 31 GLU CG . 25294 1 291 . 1 1 31 31 GLU N N 15 125.151 0.125 . . . . . A 31 GLU N . 25294 1 292 . 1 1 32 32 ALA H H 1 9.555 0.025 . . . . . A 32 ALA H . 25294 1 293 . 1 1 32 32 ALA HA H 1 4.016 0.025 . . . . . A 32 ALA HA . 25294 1 294 . 1 1 32 32 ALA HB1 H 1 1.379 0.025 . . . . . A 32 ALA HB1 . 25294 1 295 . 1 1 32 32 ALA HB2 H 1 1.379 0.025 . . . . . A 32 ALA HB2 . 25294 1 296 . 1 1 32 32 ALA HB3 H 1 1.379 0.025 . . . . . A 32 ALA HB3 . 25294 1 297 . 1 1 32 32 ALA CA C 13 53.127 0.148 . . . . . A 32 ALA CA . 25294 1 298 . 1 1 32 32 ALA CB C 13 15.266 0.148 . . . . . A 32 ALA CB . 25294 1 299 . 1 1 32 32 ALA N N 15 126.271 0.125 . . . . . A 32 ALA N . 25294 1 300 . 1 1 33 33 GLU H H 1 8.358 0.025 . . . . . A 33 GLU H . 25294 1 301 . 1 1 33 33 GLU HA H 1 3.965 0.025 . . . . . A 33 GLU HA . 25294 1 302 . 1 1 33 33 GLU HB2 H 1 2.054 0.025 . . . . . A 33 GLU HB2 . 25294 1 303 . 1 1 33 33 GLU HB3 H 1 1.992 0.025 . . . . . A 33 GLU HB3 . 25294 1 304 . 1 1 33 33 GLU HG2 H 1 2.354 0.025 . . . . . A 33 GLU HG2 . 25294 1 305 . 1 1 33 33 GLU HG3 H 1 2.291 0.025 . . . . . A 33 GLU HG3 . 25294 1 306 . 1 1 33 33 GLU CA C 13 55.985 0.148 . . . . . A 33 GLU CA . 25294 1 307 . 1 1 33 33 GLU CB C 13 26.929 0.148 . . . . . A 33 GLU CB . 25294 1 308 . 1 1 33 33 GLU CG C 13 33.787 0.148 . . . . . A 33 GLU CG . 25294 1 309 . 1 1 33 33 GLU N N 15 113.076 0.125 . . . . . A 33 GLU N . 25294 1 310 . 1 1 34 34 GLY H H 1 7.619 0.025 . . . . . A 34 GLY H . 25294 1 311 . 1 1 34 34 GLY HA3 H 1 3.180 0.025 . . . . . A 34 GLY HA3 . 25294 1 312 . 1 1 34 34 GLY CA C 13 40.707 0.148 . . . . . A 34 GLY CA . 25294 1 313 . 1 1 34 34 GLY N N 15 104.905 0.125 . . . . . A 34 GLY N . 25294 1 314 . 1 1 35 35 GLY H H 1 8.592 0.025 . . . . . A 35 GLY H . 25294 1 315 . 1 1 35 35 GLY HA3 H 1 4.003 0.025 . . . . . A 35 GLY HA3 . 25294 1 316 . 1 1 35 35 GLY CA C 13 42.988 0.148 . . . . . A 35 GLY CA . 25294 1 317 . 1 1 35 35 GLY N N 15 105.946 0.125 . . . . . A 35 GLY N . 25294 1 318 . 1 1 36 36 SER H H 1 8.560 0.025 . . . . . A 36 SER H . 25294 1 319 . 1 1 36 36 SER HA H 1 5.539 0.025 . . . . . A 36 SER HA . 25294 1 320 . 1 1 36 36 SER HB2 H 1 3.732 0.025 . . . . . A 36 SER HB2 . 25294 1 321 . 1 1 36 36 SER HB3 H 1 3.732 0.025 . . . . . A 36 SER HB3 . 25294 1 322 . 1 1 36 36 SER CA C 13 54.323 0.148 . . . . . A 36 SER CA . 25294 1 323 . 1 1 36 36 SER CB C 13 62.808 0.148 . . . . . A 36 SER CB . 25294 1 324 . 1 1 36 36 SER N N 15 116.044 0.125 . . . . . A 36 SER N . 25294 1 325 . 1 1 37 37 SER H H 1 9.251 0.025 . . . . . A 37 SER H . 25294 1 326 . 1 1 37 37 SER HA H 1 4.712 0.025 . . . . . A 37 SER HA . 25294 1 327 . 1 1 37 37 SER HB2 H 1 3.571 0.025 . . . . . A 37 SER HB2 . 25294 1 328 . 1 1 37 37 SER HB3 H 1 3.505 0.025 . . . . . A 37 SER HB3 . 25294 1 329 . 1 1 37 37 SER CA C 13 55.548 0.148 . . . . . A 37 SER CA . 25294 1 330 . 1 1 37 37 SER CB C 13 63.943 0.148 . . . . . A 37 SER CB . 25294 1 331 . 1 1 37 37 SER N N 15 119.501 0.125 . . . . . A 37 SER N . 25294 1 332 . 1 1 38 38 LEU H H 1 7.902 0.025 . . . . . A 38 LEU H . 25294 1 333 . 1 1 38 38 LEU HA H 1 5.253 0.025 . . . . . A 38 LEU HA . 25294 1 334 . 1 1 38 38 LEU HB2 H 1 1.375 0.025 . . . . . A 38 LEU HB2 . 25294 1 335 . 1 1 38 38 LEU HB3 H 1 1.443 0.025 . . . . . A 38 LEU HB3 . 25294 1 336 . 1 1 38 38 LEU HG H 1 1.363 0.025 . . . . . A 38 LEU HG . 25294 1 337 . 1 1 38 38 LEU HD11 H 1 0.753 0.025 . . . . . A 38 LEU HD11 . 25294 1 338 . 1 1 38 38 LEU HD12 H 1 0.753 0.025 . . . . . A 38 LEU HD12 . 25294 1 339 . 1 1 38 38 LEU HD13 H 1 0.753 0.025 . . . . . A 38 LEU HD13 . 25294 1 340 . 1 1 38 38 LEU HD21 H 1 0.832 0.025 . . . . . A 38 LEU HD21 . 25294 1 341 . 1 1 38 38 LEU HD22 H 1 0.832 0.025 . . . . . A 38 LEU HD22 . 25294 1 342 . 1 1 38 38 LEU HD23 H 1 0.832 0.025 . . . . . A 38 LEU HD23 . 25294 1 343 . 1 1 38 38 LEU CA C 13 51.782 0.148 . . . . . A 38 LEU CA . 25294 1 344 . 1 1 38 38 LEU CB C 13 42.834 0.148 . . . . . A 38 LEU CB . 25294 1 345 . 1 1 38 38 LEU CG C 13 25.430 0.148 . . . . . A 38 LEU CG . 25294 1 346 . 1 1 38 38 LEU CD1 C 13 22.485 0.148 . . . . . A 38 LEU CD1 . 25294 1 347 . 1 1 38 38 LEU CD2 C 13 22.645 0.148 . . . . . A 38 LEU CD2 . 25294 1 348 . 1 1 38 38 LEU N N 15 125.962 0.125 . . . . . A 38 LEU N . 25294 1 349 . 1 1 39 39 PHE H H 1 9.290 0.025 . . . . . A 39 PHE H . 25294 1 350 . 1 1 39 39 PHE HA H 1 5.139 0.025 . . . . . A 39 PHE HA . 25294 1 351 . 1 1 39 39 PHE HB2 H 1 2.891 0.025 . . . . . A 39 PHE HB2 . 25294 1 352 . 1 1 39 39 PHE HB3 H 1 2.501 0.025 . . . . . A 39 PHE HB3 . 25294 1 353 . 1 1 39 39 PHE HD1 H 1 6.392 0.025 . . . . . A 39 PHE HD1 . 25294 1 354 . 1 1 39 39 PHE HD2 H 1 6.392 0.025 . . . . . A 39 PHE HD2 . 25294 1 355 . 1 1 39 39 PHE HE1 H 1 6.354 0.025 . . . . . A 39 PHE HE1 . 25294 1 356 . 1 1 39 39 PHE HE2 H 1 6.354 0.025 . . . . . A 39 PHE HE2 . 25294 1 357 . 1 1 39 39 PHE HZ H 1 6.418 0.025 . . . . . A 39 PHE HZ . 25294 1 358 . 1 1 39 39 PHE CA C 13 52.131 0.148 . . . . . A 39 PHE CA . 25294 1 359 . 1 1 39 39 PHE CB C 13 38.952 0.148 . . . . . A 39 PHE CB . 25294 1 360 . 1 1 39 39 PHE CD1 C 13 128.910 0.148 . . . . . A 39 PHE CD1 . 25294 1 361 . 1 1 39 39 PHE CD2 C 13 128.910 0.148 . . . . . A 39 PHE CD2 . 25294 1 362 . 1 1 39 39 PHE CE1 C 13 126.665 0.148 . . . . . A 39 PHE CE1 . 25294 1 363 . 1 1 39 39 PHE CE2 C 13 126.665 0.148 . . . . . A 39 PHE CE2 . 25294 1 364 . 1 1 39 39 PHE N N 15 124.707 0.125 . . . . . A 39 PHE N . 25294 1 365 . 1 1 40 40 ALA H H 1 9.328 0.025 . . . . . A 40 ALA H . 25294 1 366 . 1 1 40 40 ALA HA H 1 5.635 0.025 . . . . . A 40 ALA HA . 25294 1 367 . 1 1 40 40 ALA HB1 H 1 1.416 0.025 . . . . . A 40 ALA HB1 . 25294 1 368 . 1 1 40 40 ALA HB2 H 1 1.416 0.025 . . . . . A 40 ALA HB2 . 25294 1 369 . 1 1 40 40 ALA HB3 H 1 1.416 0.025 . . . . . A 40 ALA HB3 . 25294 1 370 . 1 1 40 40 ALA CA C 13 48.301 0.148 . . . . . A 40 ALA CA . 25294 1 371 . 1 1 40 40 ALA CB C 13 19.446 0.148 . . . . . A 40 ALA CB . 25294 1 372 . 1 1 40 40 ALA N N 15 124.994 0.125 . . . . . A 40 ALA N . 25294 1 373 . 1 1 41 41 CYS H H 1 9.370 0.025 . . . . . A 41 CYS H . 25294 1 374 . 1 1 41 41 CYS HA H 1 4.146 0.025 . . . . . A 41 CYS HA . 25294 1 375 . 1 1 41 41 CYS HB2 H 1 2.713 0.025 . . . . . A 41 CYS HB2 . 25294 1 376 . 1 1 41 41 CYS HB3 H 1 2.265 0.025 . . . . . A 41 CYS HB3 . 25294 1 377 . 1 1 41 41 CYS CA C 13 56.465 0.148 . . . . . A 41 CYS CA . 25294 1 378 . 1 1 41 41 CYS CB C 13 25.973 0.148 . . . . . A 41 CYS CB . 25294 1 379 . 1 1 41 41 CYS N N 15 125.757 0.125 . . . . . A 41 CYS N . 25294 1 380 . 1 1 42 42 LYS H H 1 9.261 0.025 . . . . . A 42 LYS H . 25294 1 381 . 1 1 42 42 LYS HA H 1 4.260 0.025 . . . . . A 42 LYS HA . 25294 1 382 . 1 1 42 42 LYS HB2 H 1 1.367 0.025 . . . . . A 42 LYS HB2 . 25294 1 383 . 1 1 42 42 LYS HB3 H 1 1.659 0.025 . . . . . A 42 LYS HB3 . 25294 1 384 . 1 1 42 42 LYS HG2 H 1 1.200 0.025 . . . . . A 42 LYS HG2 . 25294 1 385 . 1 1 42 42 LYS HG3 H 1 1.200 0.025 . . . . . A 42 LYS HG3 . 25294 1 386 . 1 1 42 42 LYS HE2 H 1 2.815 0.025 . . . . . A 42 LYS HE2 . 25294 1 387 . 1 1 42 42 LYS HE3 H 1 2.815 0.025 . . . . . A 42 LYS HE3 . 25294 1 388 . 1 1 42 42 LYS CA C 13 54.851 0.148 . . . . . A 42 LYS CA . 25294 1 389 . 1 1 42 42 LYS CB C 13 32.107 0.148 . . . . . A 42 LYS CB . 25294 1 390 . 1 1 42 42 LYS CG C 13 21.876 0.148 . . . . . A 42 LYS CG . 25294 1 391 . 1 1 42 42 LYS N N 15 129.019 0.125 . . . . . A 42 LYS N . 25294 1 392 . 1 1 43 43 ASN H H 1 8.500 0.025 . . . . . A 43 ASN H . 25294 1 393 . 1 1 43 43 ASN HA H 1 4.525 0.025 . . . . . A 43 ASN HA . 25294 1 394 . 1 1 43 43 ASN HB2 H 1 2.634 0.025 . . . . . A 43 ASN HB2 . 25294 1 395 . 1 1 43 43 ASN HB3 H 1 2.344 0.025 . . . . . A 43 ASN HB3 . 25294 1 396 . 1 1 43 43 ASN HD21 H 1 7.422 0.025 . . . . . A 43 ASN HD21 . 25294 1 397 . 1 1 43 43 ASN HD22 H 1 7.350 0.025 . . . . . A 43 ASN HD22 . 25294 1 398 . 1 1 43 43 ASN CA C 13 50.235 0.148 . . . . . A 43 ASN CA . 25294 1 399 . 1 1 43 43 ASN CB C 13 34.861 0.148 . . . . . A 43 ASN CB . 25294 1 400 . 1 1 43 43 ASN N N 15 113.240 0.125 . . . . . A 43 ASN N . 25294 1 401 . 1 1 43 43 ASN ND2 N 15 113.266 0.125 . . . . . A 43 ASN ND2 . 25294 1 402 . 1 1 44 44 TYR H H 1 7.331 0.025 . . . . . A 44 TYR H . 25294 1 403 . 1 1 44 44 TYR HA H 1 4.557 0.025 . . . . . A 44 TYR HA . 25294 1 404 . 1 1 44 44 TYR HB2 H 1 2.663 0.025 . . . . . A 44 TYR HB2 . 25294 1 405 . 1 1 44 44 TYR HB3 H 1 2.886 0.025 . . . . . A 44 TYR HB3 . 25294 1 406 . 1 1 44 44 TYR HD1 H 1 6.849 0.025 . . . . . A 44 TYR HD1 . 25294 1 407 . 1 1 44 44 TYR HD2 H 1 6.849 0.025 . . . . . A 44 TYR HD2 . 25294 1 408 . 1 1 44 44 TYR HE1 H 1 6.404 0.025 . . . . . A 44 TYR HE1 . 25294 1 409 . 1 1 44 44 TYR HE2 H 1 6.404 0.025 . . . . . A 44 TYR HE2 . 25294 1 410 . 1 1 44 44 TYR CA C 13 55.718 0.148 . . . . . A 44 TYR CA . 25294 1 411 . 1 1 44 44 TYR CB C 13 37.372 0.148 . . . . . A 44 TYR CB . 25294 1 412 . 1 1 44 44 TYR CD1 C 13 130.260 0.148 . . . . . A 44 TYR CD1 . 25294 1 413 . 1 1 44 44 TYR CD2 C 13 130.255 0.148 . . . . . A 44 TYR CD2 . 25294 1 414 . 1 1 44 44 TYR CE1 C 13 114.520 0.148 . . . . . A 44 TYR CE1 . 25294 1 415 . 1 1 44 44 TYR CE2 C 13 114.518 0.148 . . . . . A 44 TYR CE2 . 25294 1 416 . 1 1 44 44 TYR N N 15 119.335 0.125 . . . . . A 44 TYR N . 25294 1 417 . 1 1 45 45 LYS H H 1 8.586 0.025 . . . . . A 45 LYS H . 25294 1 418 . 1 1 45 45 LYS HA H 1 4.036 0.025 . . . . . A 45 LYS HA . 25294 1 419 . 1 1 45 45 LYS HB2 H 1 1.786 0.025 . . . . . A 45 LYS HB2 . 25294 1 420 . 1 1 45 45 LYS HB3 H 1 1.718 0.025 . . . . . A 45 LYS HB3 . 25294 1 421 . 1 1 45 45 LYS HG2 H 1 1.373 0.025 . . . . . A 45 LYS HG2 . 25294 1 422 . 1 1 45 45 LYS HG3 H 1 1.409 0.025 . . . . . A 45 LYS HG3 . 25294 1 423 . 1 1 45 45 LYS HD2 H 1 1.591 0.025 . . . . . A 45 LYS HD2 . 25294 1 424 . 1 1 45 45 LYS HD3 H 1 1.591 0.025 . . . . . A 45 LYS HD3 . 25294 1 425 . 1 1 45 45 LYS HE2 H 1 2.916 0.025 . . . . . A 45 LYS HE2 . 25294 1 426 . 1 1 45 45 LYS HE3 H 1 2.916 0.025 . . . . . A 45 LYS HE3 . 25294 1 427 . 1 1 45 45 LYS CA C 13 54.538 0.148 . . . . . A 45 LYS CA . 25294 1 428 . 1 1 45 45 LYS CB C 13 30.233 0.148 . . . . . A 45 LYS CB . 25294 1 429 . 1 1 45 45 LYS CG C 13 22.279 0.148 . . . . . A 45 LYS CG . 25294 1 430 . 1 1 45 45 LYS CD C 13 26.678 0.148 . . . . . A 45 LYS CD . 25294 1 431 . 1 1 45 45 LYS CE C 13 39.560 0.148 . . . . . A 45 LYS CE . 25294 1 432 . 1 1 45 45 LYS N N 15 120.676 0.125 . . . . . A 45 LYS N . 25294 1 433 . 1 1 46 46 SER H H 1 7.473 0.025 . . . . . A 46 SER H . 25294 1 434 . 1 1 46 46 SER HA H 1 4.388 0.025 . . . . . A 46 SER HA . 25294 1 435 . 1 1 46 46 SER HB2 H 1 3.585 0.025 . . . . . A 46 SER HB2 . 25294 1 436 . 1 1 46 46 SER HB3 H 1 3.682 0.025 . . . . . A 46 SER HB3 . 25294 1 437 . 1 1 46 46 SER CA C 13 53.664 0.148 . . . . . A 46 SER CA . 25294 1 438 . 1 1 46 46 SER CB C 13 61.810 0.148 . . . . . A 46 SER CB . 25294 1 439 . 1 1 46 46 SER N N 15 108.797 0.125 . . . . . A 46 SER N . 25294 1 440 . 1 1 47 47 PHE H H 1 7.571 0.025 . . . . . A 47 PHE H . 25294 1 441 . 1 1 47 47 PHE HA H 1 4.642 0.025 . . . . . A 47 PHE HA . 25294 1 442 . 1 1 47 47 PHE HB2 H 1 2.726 0.025 . . . . . A 47 PHE HB2 . 25294 1 443 . 1 1 47 47 PHE HB3 H 1 2.875 0.025 . . . . . A 47 PHE HB3 . 25294 1 444 . 1 1 47 47 PHE HD1 H 1 6.717 0.025 . . . . . A 47 PHE HD1 . 25294 1 445 . 1 1 47 47 PHE HD2 H 1 6.717 0.025 . . . . . A 47 PHE HD2 . 25294 1 446 . 1 1 47 47 PHE HE1 H 1 7.149 0.025 . . . . . A 47 PHE HE1 . 25294 1 447 . 1 1 47 47 PHE HE2 H 1 7.149 0.025 . . . . . A 47 PHE HE2 . 25294 1 448 . 1 1 47 47 PHE HZ H 1 7.257 0.025 . . . . . A 47 PHE HZ . 25294 1 449 . 1 1 47 47 PHE CA C 13 53.617 0.148 . . . . . A 47 PHE CA . 25294 1 450 . 1 1 47 47 PHE CB C 13 37.101 0.148 . . . . . A 47 PHE CB . 25294 1 451 . 1 1 47 47 PHE CD1 C 13 129.050 0.148 . . . . . A 47 PHE CD1 . 25294 1 452 . 1 1 47 47 PHE CD2 C 13 129.046 0.148 . . . . . A 47 PHE CD2 . 25294 1 453 . 1 1 47 47 PHE CE1 C 13 127.970 0.148 . . . . . A 47 PHE CE1 . 25294 1 454 . 1 1 47 47 PHE CE2 C 13 127.969 0.148 . . . . . A 47 PHE CE2 . 25294 1 455 . 1 1 47 47 PHE CZ C 13 125.910 0.148 . . . . . A 47 PHE CZ . 25294 1 456 . 1 1 47 47 PHE N N 15 117.325 0.125 . . . . . A 47 PHE N . 25294 1 457 . 1 1 48 48 TRP H H 1 8.794 0.025 . . . . . A 48 TRP H . 25294 1 458 . 1 1 48 48 TRP HA H 1 5.235 0.025 . . . . . A 48 TRP HA . 25294 1 459 . 1 1 48 48 TRP HB2 H 1 3.250 0.025 . . . . . A 48 TRP HB2 . 25294 1 460 . 1 1 48 48 TRP HB3 H 1 3.155 0.025 . . . . . A 48 TRP HB3 . 25294 1 461 . 1 1 48 48 TRP HD1 H 1 6.925 0.025 . . . . . A 48 TRP HD1 . 25294 1 462 . 1 1 48 48 TRP HE1 H 1 10.094 0.025 . . . . . A 48 TRP HE1 . 25294 1 463 . 1 1 48 48 TRP HE3 H 1 7.282 0.025 . . . . . A 48 TRP HE3 . 25294 1 464 . 1 1 48 48 TRP HZ2 H 1 7.259 0.025 . . . . . A 48 TRP HZ2 . 25294 1 465 . 1 1 48 48 TRP HZ3 H 1 6.918 0.025 . . . . . A 48 TRP HZ3 . 25294 1 466 . 1 1 48 48 TRP HH2 H 1 6.983 0.025 . . . . . A 48 TRP HH2 . 25294 1 467 . 1 1 48 48 TRP CA C 13 53.492 0.148 . . . . . A 48 TRP CA . 25294 1 468 . 1 1 48 48 TRP CB C 13 29.895 0.148 . . . . . A 48 TRP CB . 25294 1 469 . 1 1 48 48 TRP CD1 C 13 123.758 0.148 . . . . . A 48 TRP CD1 . 25294 1 470 . 1 1 48 48 TRP CE3 C 13 118.278 0.148 . . . . . A 48 TRP CE3 . 25294 1 471 . 1 1 48 48 TRP CZ2 C 13 111.168 0.148 . . . . . A 48 TRP CZ2 . 25294 1 472 . 1 1 48 48 TRP CZ3 C 13 118.316 0.148 . . . . . A 48 TRP CZ3 . 25294 1 473 . 1 1 48 48 TRP CH2 C 13 120.576 0.148 . . . . . A 48 TRP CH2 . 25294 1 474 . 1 1 48 48 TRP N N 15 117.090 0.125 . . . . . A 48 TRP N . 25294 1 475 . 1 1 48 48 TRP NE1 N 15 130.281 0.125 . . . . . A 48 TRP NE1 . 25294 1 476 . 1 1 49 49 ILE H H 1 9.120 0.025 . . . . . A 49 ILE H . 25294 1 477 . 1 1 49 49 ILE HA H 1 4.031 0.025 . . . . . A 49 ILE HA . 25294 1 478 . 1 1 49 49 ILE HB H 1 1.920 0.025 . . . . . A 49 ILE HB . 25294 1 479 . 1 1 49 49 ILE HG12 H 1 1.803 0.025 . . . . . A 49 ILE HG12 . 25294 1 480 . 1 1 49 49 ILE HG13 H 1 0.569 0.025 . . . . . A 49 ILE HG13 . 25294 1 481 . 1 1 49 49 ILE HG21 H 1 0.704 0.025 . . . . . A 49 ILE HG21 . 25294 1 482 . 1 1 49 49 ILE HG22 H 1 0.704 0.025 . . . . . A 49 ILE HG22 . 25294 1 483 . 1 1 49 49 ILE HG23 H 1 0.704 0.025 . . . . . A 49 ILE HG23 . 25294 1 484 . 1 1 49 49 ILE HD11 H 1 0.922 0.025 . . . . . A 49 ILE HD11 . 25294 1 485 . 1 1 49 49 ILE HD12 H 1 0.922 0.025 . . . . . A 49 ILE HD12 . 25294 1 486 . 1 1 49 49 ILE HD13 H 1 0.922 0.025 . . . . . A 49 ILE HD13 . 25294 1 487 . 1 1 49 49 ILE CA C 13 60.473 0.148 . . . . . A 49 ILE CA . 25294 1 488 . 1 1 49 49 ILE CB C 13 36.436 0.148 . . . . . A 49 ILE CB . 25294 1 489 . 1 1 49 49 ILE CG1 C 13 25.888 0.148 . . . . . A 49 ILE CG1 . 25294 1 490 . 1 1 49 49 ILE CG2 C 13 15.145 0.148 . . . . . A 49 ILE CG2 . 25294 1 491 . 1 1 49 49 ILE CD1 C 13 13.627 0.148 . . . . . A 49 ILE CD1 . 25294 1 492 . 1 1 49 49 ILE N N 15 119.682 0.125 . . . . . A 49 ILE N . 25294 1 493 . 1 1 50 50 SER H H 1 9.360 0.025 . . . . . A 50 SER H . 25294 1 494 . 1 1 50 50 SER HA H 1 4.708 0.025 . . . . . A 50 SER HA . 25294 1 495 . 1 1 50 50 SER HB2 H 1 3.001 0.025 . . . . . A 50 SER HB2 . 25294 1 496 . 1 1 50 50 SER HB3 H 1 2.851 0.025 . . . . . A 50 SER HB3 . 25294 1 497 . 1 1 50 50 SER CA C 13 56.110 0.148 . . . . . A 50 SER CA . 25294 1 498 . 1 1 50 50 SER CB C 13 63.816 0.148 . . . . . A 50 SER CB . 25294 1 499 . 1 1 50 50 SER N N 15 124.071 0.125 . . . . . A 50 SER N . 25294 1 500 . 1 1 51 51 SER H H 1 7.821 0.025 . . . . . A 51 SER H . 25294 1 501 . 1 1 51 51 SER HA H 1 4.557 0.025 . . . . . A 51 SER HA . 25294 1 502 . 1 1 51 51 SER HB2 H 1 3.940 0.025 . . . . . A 51 SER HB2 . 25294 1 503 . 1 1 51 51 SER HB3 H 1 3.746 0.025 . . . . . A 51 SER HB3 . 25294 1 504 . 1 1 51 51 SER CA C 13 55.564 0.148 . . . . . A 51 SER CA . 25294 1 505 . 1 1 51 51 SER CB C 13 62.821 0.148 . . . . . A 51 SER CB . 25294 1 506 . 1 1 51 51 SER N N 15 111.253 0.125 . . . . . A 51 SER N . 25294 1 507 . 1 1 52 52 VAL H H 1 8.677 0.025 . . . . . A 52 VAL H . 25294 1 508 . 1 1 52 52 VAL HA H 1 4.731 0.025 . . . . . A 52 VAL HA . 25294 1 509 . 1 1 52 52 VAL HB H 1 1.079 0.025 . . . . . A 52 VAL HB . 25294 1 510 . 1 1 52 52 VAL HG11 H 1 0.749 0.025 . . . . . A 52 VAL HG11 . 25294 1 511 . 1 1 52 52 VAL HG12 H 1 0.749 0.025 . . . . . A 52 VAL HG12 . 25294 1 512 . 1 1 52 52 VAL HG13 H 1 0.749 0.025 . . . . . A 52 VAL HG13 . 25294 1 513 . 1 1 52 52 VAL HG21 H 1 0.487 0.025 . . . . . A 52 VAL HG21 . 25294 1 514 . 1 1 52 52 VAL HG22 H 1 0.487 0.025 . . . . . A 52 VAL HG22 . 25294 1 515 . 1 1 52 52 VAL HG23 H 1 0.487 0.025 . . . . . A 52 VAL HG23 . 25294 1 516 . 1 1 52 52 VAL CA C 13 59.126 0.148 . . . . . A 52 VAL CA . 25294 1 517 . 1 1 52 52 VAL CB C 13 32.500 0.148 . . . . . A 52 VAL CB . 25294 1 518 . 1 1 52 52 VAL CG1 C 13 19.563 0.148 . . . . . A 52 VAL CG1 . 25294 1 519 . 1 1 52 52 VAL CG2 C 13 18.596 0.148 . . . . . A 52 VAL CG2 . 25294 1 520 . 1 1 52 52 VAL N N 15 121.147 0.125 . . . . . A 52 VAL N . 25294 1 521 . 1 1 53 53 LYS H H 1 8.875 0.025 . . . . . A 53 LYS H . 25294 1 522 . 1 1 53 53 LYS HA H 1 5.007 0.025 . . . . . A 53 LYS HA . 25294 1 523 . 1 1 53 53 LYS HB2 H 1 1.347 0.025 . . . . . A 53 LYS HB2 . 25294 1 524 . 1 1 53 53 LYS HB3 H 1 1.347 0.025 . . . . . A 53 LYS HB3 . 25294 1 525 . 1 1 53 53 LYS HG2 H 1 0.725 0.025 . . . . . A 53 LYS HG2 . 25294 1 526 . 1 1 53 53 LYS HG3 H 1 0.725 0.025 . . . . . A 53 LYS HG3 . 25294 1 527 . 1 1 53 53 LYS HD2 H 1 1.106 0.025 . . . . . A 53 LYS HD2 . 25294 1 528 . 1 1 53 53 LYS HD3 H 1 1.106 0.025 . . . . . A 53 LYS HD3 . 25294 1 529 . 1 1 53 53 LYS HE2 H 1 2.294 0.025 . . . . . A 53 LYS HE2 . 25294 1 530 . 1 1 53 53 LYS HE3 H 1 2.217 0.025 . . . . . A 53 LYS HE3 . 25294 1 531 . 1 1 53 53 LYS CA C 13 51.723 0.148 . . . . . A 53 LYS CA . 25294 1 532 . 1 1 53 53 LYS CB C 13 33.772 0.148 . . . . . A 53 LYS CB . 25294 1 533 . 1 1 53 53 LYS CG C 13 22.234 0.148 . . . . . A 53 LYS CG . 25294 1 534 . 1 1 53 53 LYS CD C 13 26.837 0.148 . . . . . A 53 LYS CD . 25294 1 535 . 1 1 53 53 LYS CE C 13 38.964 0.148 . . . . . A 53 LYS CE . 25294 1 536 . 1 1 53 53 LYS N N 15 126.128 0.125 . . . . . A 53 LYS N . 25294 1 537 . 1 1 54 54 GLU H H 1 8.752 0.025 . . . . . A 54 GLU H . 25294 1 538 . 1 1 54 54 GLU HA H 1 4.758 0.025 . . . . . A 54 GLU HA . 25294 1 539 . 1 1 54 54 GLU HB2 H 1 2.042 0.025 . . . . . A 54 GLU HB2 . 25294 1 540 . 1 1 54 54 GLU HB3 H 1 2.086 0.025 . . . . . A 54 GLU HB3 . 25294 1 541 . 1 1 54 54 GLU CA C 13 53.259 0.148 . . . . . A 54 GLU CA . 25294 1 542 . 1 1 54 54 GLU CB C 13 31.059 0.148 . . . . . A 54 GLU CB . 25294 1 543 . 1 1 54 54 GLU CG C 13 33.727 0.148 . . . . . A 54 GLU CG . 25294 1 544 . 1 1 54 54 GLU N N 15 124.160 0.125 . . . . . A 54 GLU N . 25294 1 545 . 1 1 55 55 GLU H H 1 9.537 0.025 . . . . . A 55 GLU H . 25294 1 546 . 1 1 55 55 GLU HA H 1 3.908 0.025 . . . . . A 55 GLU HA . 25294 1 547 . 1 1 55 55 GLU HB2 H 1 2.089 0.025 . . . . . A 55 GLU HB2 . 25294 1 548 . 1 1 55 55 GLU HB3 H 1 2.270 0.025 . . . . . A 55 GLU HB3 . 25294 1 549 . 1 1 55 55 GLU HG2 H 1 2.363 0.025 . . . . . A 55 GLU HG2 . 25294 1 550 . 1 1 55 55 GLU HG3 H 1 2.457 0.025 . . . . . A 55 GLU HG3 . 25294 1 551 . 1 1 55 55 GLU CA C 13 54.546 0.148 . . . . . A 55 GLU CA . 25294 1 552 . 1 1 55 55 GLU CB C 13 25.294 0.148 . . . . . A 55 GLU CB . 25294 1 553 . 1 1 55 55 GLU CG C 13 34.054 0.148 . . . . . A 55 GLU CG . 25294 1 554 . 1 1 55 55 GLU N N 15 127.218 0.125 . . . . . A 55 GLU N . 25294 1 555 . 1 1 56 56 GLY H H 1 8.543 0.025 . . . . . A 56 GLY H . 25294 1 556 . 1 1 56 56 GLY HA3 H 1 3.440 0.025 . . . . . A 56 GLY HA3 . 25294 1 557 . 1 1 56 56 GLY CA C 13 42.881 0.148 . . . . . A 56 GLY CA . 25294 1 558 . 1 1 56 56 GLY N N 15 104.894 0.125 . . . . . A 56 GLY N . 25294 1 559 . 1 1 57 57 LYS H H 1 7.719 0.025 . . . . . A 57 LYS H . 25294 1 560 . 1 1 57 57 LYS HA H 1 4.564 0.025 . . . . . A 57 LYS HA . 25294 1 561 . 1 1 57 57 LYS HB2 H 1 1.830 0.025 . . . . . A 57 LYS HB2 . 25294 1 562 . 1 1 57 57 LYS HB3 H 1 1.743 0.025 . . . . . A 57 LYS HB3 . 25294 1 563 . 1 1 57 57 LYS HG2 H 1 1.389 0.025 . . . . . A 57 LYS HG2 . 25294 1 564 . 1 1 57 57 LYS HG3 H 1 1.389 0.025 . . . . . A 57 LYS HG3 . 25294 1 565 . 1 1 57 57 LYS HD2 H 1 1.684 0.025 . . . . . A 57 LYS HD2 . 25294 1 566 . 1 1 57 57 LYS HD3 H 1 1.684 0.025 . . . . . A 57 LYS HD3 . 25294 1 567 . 1 1 57 57 LYS HE2 H 1 3.014 0.025 . . . . . A 57 LYS HE2 . 25294 1 568 . 1 1 57 57 LYS HE3 H 1 3.014 0.025 . . . . . A 57 LYS HE3 . 25294 1 569 . 1 1 57 57 LYS CA C 13 51.959 0.148 . . . . . A 57 LYS CA . 25294 1 570 . 1 1 57 57 LYS CB C 13 32.188 0.148 . . . . . A 57 LYS CB . 25294 1 571 . 1 1 57 57 LYS CG C 13 22.029 0.148 . . . . . A 57 LYS CG . 25294 1 572 . 1 1 57 57 LYS CD C 13 26.517 0.148 . . . . . A 57 LYS CD . 25294 1 573 . 1 1 57 57 LYS CE C 13 39.711 0.148 . . . . . A 57 LYS CE . 25294 1 574 . 1 1 57 57 LYS N N 15 120.444 0.125 . . . . . A 57 LYS N . 25294 1 575 . 1 1 58 58 PHE H H 1 8.661 0.025 . . . . . A 58 PHE H . 25294 1 576 . 1 1 58 58 PHE HA H 1 4.771 0.025 . . . . . A 58 PHE HA . 25294 1 577 . 1 1 58 58 PHE HB2 H 1 3.082 0.025 . . . . . A 58 PHE HB2 . 25294 1 578 . 1 1 58 58 PHE HB3 H 1 2.887 0.025 . . . . . A 58 PHE HB3 . 25294 1 579 . 1 1 58 58 PHE HD1 H 1 7.290 0.025 . . . . . A 58 PHE HD1 . 25294 1 580 . 1 1 58 58 PHE HD2 H 1 7.290 0.025 . . . . . A 58 PHE HD2 . 25294 1 581 . 1 1 58 58 PHE HE1 H 1 7.255 0.025 . . . . . A 58 PHE HE1 . 25294 1 582 . 1 1 58 58 PHE HE2 H 1 7.255 0.025 . . . . . A 58 PHE HE2 . 25294 1 583 . 1 1 58 58 PHE CA C 13 56.165 0.148 . . . . . A 58 PHE CA . 25294 1 584 . 1 1 58 58 PHE CB C 13 36.902 0.148 . . . . . A 58 PHE CB . 25294 1 585 . 1 1 58 58 PHE CD1 C 13 128.733 0.148 . . . . . A 58 PHE CD1 . 25294 1 586 . 1 1 58 58 PHE CD2 C 13 128.730 0.148 . . . . . A 58 PHE CD2 . 25294 1 587 . 1 1 58 58 PHE CE1 C 13 126.905 0.148 . . . . . A 58 PHE CE1 . 25294 1 588 . 1 1 58 58 PHE N N 15 121.824 0.125 . . . . . A 58 PHE N . 25294 1 589 . 1 1 59 59 LYS H H 1 8.680 0.025 . . . . . A 59 LYS H . 25294 1 590 . 1 1 59 59 LYS HA H 1 4.451 0.025 . . . . . A 59 LYS HA . 25294 1 591 . 1 1 59 59 LYS HB2 H 1 1.734 0.025 . . . . . A 59 LYS HB2 . 25294 1 592 . 1 1 59 59 LYS HB3 H 1 1.408 0.025 . . . . . A 59 LYS HB3 . 25294 1 593 . 1 1 59 59 LYS HG2 H 1 1.343 0.025 . . . . . A 59 LYS HG2 . 25294 1 594 . 1 1 59 59 LYS HG3 H 1 1.386 0.025 . . . . . A 59 LYS HG3 . 25294 1 595 . 1 1 59 59 LYS HD2 H 1 1.790 0.025 . . . . . A 59 LYS HD2 . 25294 1 596 . 1 1 59 59 LYS HD3 H 1 1.717 0.025 . . . . . A 59 LYS HD3 . 25294 1 597 . 1 1 59 59 LYS HE2 H 1 3.012 0.025 . . . . . A 59 LYS HE2 . 25294 1 598 . 1 1 59 59 LYS HE3 H 1 3.216 0.025 . . . . . A 59 LYS HE3 . 25294 1 599 . 1 1 59 59 LYS CA C 13 50.985 0.148 . . . . . A 59 LYS CA . 25294 1 600 . 1 1 59 59 LYS CB C 13 29.791 0.148 . . . . . A 59 LYS CB . 25294 1 601 . 1 1 59 59 LYS CG C 13 21.367 0.148 . . . . . A 59 LYS CG . 25294 1 602 . 1 1 59 59 LYS CD C 13 25.036 0.148 . . . . . A 59 LYS CD . 25294 1 603 . 1 1 59 59 LYS CE C 13 39.844 0.148 . . . . . A 59 LYS CE . 25294 1 604 . 1 1 59 59 LYS N N 15 123.205 0.125 . . . . . A 59 LYS N . 25294 1 605 . 1 1 60 60 GLU H H 1 8.743 0.025 . . . . . A 60 GLU H . 25294 1 606 . 1 1 60 60 GLU HA H 1 4.260 0.025 . . . . . A 60 GLU HA . 25294 1 607 . 1 1 60 60 GLU HB2 H 1 1.914 0.025 . . . . . A 60 GLU HB2 . 25294 1 608 . 1 1 60 60 GLU HB3 H 1 1.999 0.025 . . . . . A 60 GLU HB3 . 25294 1 609 . 1 1 60 60 GLU HG2 H 1 2.215 0.025 . . . . . A 60 GLU HG2 . 25294 1 610 . 1 1 60 60 GLU HG3 H 1 2.267 0.025 . . . . . A 60 GLU HG3 . 25294 1 611 . 1 1 60 60 GLU CA C 13 53.906 0.148 . . . . . A 60 GLU CA . 25294 1 612 . 1 1 60 60 GLU CB C 13 27.663 0.148 . . . . . A 60 GLU CB . 25294 1 613 . 1 1 60 60 GLU CG C 13 33.712 0.148 . . . . . A 60 GLU CG . 25294 1 614 . 1 1 60 60 GLU N N 15 122.647 0.125 . . . . . A 60 GLU N . 25294 1 615 . 1 1 61 61 ASN H H 1 8.631 0.025 . . . . . A 61 ASN H . 25294 1 616 . 1 1 61 61 ASN HA H 1 4.845 0.025 . . . . . A 61 ASN HA . 25294 1 617 . 1 1 61 61 ASN HB2 H 1 2.805 0.025 . . . . . A 61 ASN HB2 . 25294 1 618 . 1 1 61 61 ASN HB3 H 1 2.634 0.025 . . . . . A 61 ASN HB3 . 25294 1 619 . 1 1 61 61 ASN HD21 H 1 6.691 0.025 . . . . . A 61 ASN HD21 . 25294 1 620 . 1 1 61 61 ASN HD22 H 1 7.450 0.025 . . . . . A 61 ASN HD22 . 25294 1 621 . 1 1 61 61 ASN CA C 13 50.752 0.148 . . . . . A 61 ASN CA . 25294 1 622 . 1 1 61 61 ASN CB C 13 36.023 0.148 . . . . . A 61 ASN CB . 25294 1 623 . 1 1 61 61 ASN N N 15 119.907 0.125 . . . . . A 61 ASN N . 25294 1 624 . 1 1 61 61 ASN ND2 N 15 112.888 0.125 . . . . . A 61 ASN ND2 . 25294 1 625 . 1 1 62 62 THR H H 1 8.244 0.025 . . . . . A 62 THR H . 25294 1 626 . 1 1 62 62 THR HA H 1 4.308 0.025 . . . . . A 62 THR HA . 25294 1 627 . 1 1 62 62 THR HB H 1 4.166 0.025 . . . . . A 62 THR HB . 25294 1 628 . 1 1 62 62 THR HG21 H 1 0.953 0.025 . . . . . A 62 THR HG21 . 25294 1 629 . 1 1 62 62 THR HG22 H 1 0.953 0.025 . . . . . A 62 THR HG22 . 25294 1 630 . 1 1 62 62 THR HG23 H 1 0.953 0.025 . . . . . A 62 THR HG23 . 25294 1 631 . 1 1 62 62 THR CA C 13 59.310 0.148 . . . . . A 62 THR CA . 25294 1 632 . 1 1 62 62 THR CB C 13 66.813 0.148 . . . . . A 62 THR CB . 25294 1 633 . 1 1 62 62 THR CG2 C 13 19.242 0.148 . . . . . A 62 THR CG2 . 25294 1 634 . 1 1 62 62 THR N N 15 113.271 0.125 . . . . . A 62 THR N . 25294 1 635 . 1 1 63 63 SER H H 1 7.986 0.025 . . . . . A 63 SER H . 25294 1 636 . 1 1 63 63 SER HA H 1 4.650 0.025 . . . . . A 63 SER HA . 25294 1 637 . 1 1 63 63 SER HB2 H 1 4.069 0.025 . . . . . A 63 SER HB2 . 25294 1 638 . 1 1 63 63 SER HB3 H 1 3.975 0.025 . . . . . A 63 SER HB3 . 25294 1 639 . 1 1 63 63 SER CA C 13 54.094 0.148 . . . . . A 63 SER CA . 25294 1 640 . 1 1 63 63 SER CB C 13 61.617 0.148 . . . . . A 63 SER CB . 25294 1 641 . 1 1 63 63 SER N N 15 116.521 0.125 . . . . . A 63 SER N . 25294 1 642 . 1 1 64 64 TYR H H 1 8.292 0.025 . . . . . A 64 TYR H . 25294 1 643 . 1 1 64 64 TYR HA H 1 4.838 0.025 . . . . . A 64 TYR HA . 25294 1 644 . 1 1 64 64 TYR HB2 H 1 3.307 0.025 . . . . . A 64 TYR HB2 . 25294 1 645 . 1 1 64 64 TYR HB3 H 1 2.959 0.025 . . . . . A 64 TYR HB3 . 25294 1 646 . 1 1 64 64 TYR HD1 H 1 7.114 0.025 . . . . . A 64 TYR HD1 . 25294 1 647 . 1 1 64 64 TYR HD2 H 1 7.114 0.025 . . . . . A 64 TYR HD2 . 25294 1 648 . 1 1 64 64 TYR HE1 H 1 6.635 0.025 . . . . . A 64 TYR HE1 . 25294 1 649 . 1 1 64 64 TYR HE2 H 1 6.635 0.025 . . . . . A 64 TYR HE2 . 25294 1 650 . 1 1 64 64 TYR CA C 13 56.403 0.148 . . . . . A 64 TYR CA . 25294 1 651 . 1 1 64 64 TYR CB C 13 36.569 0.148 . . . . . A 64 TYR CB . 25294 1 652 . 1 1 64 64 TYR CD2 C 13 129.619 0.148 . . . . . A 64 TYR CD2 . 25294 1 653 . 1 1 64 64 TYR CE2 C 13 115.229 0.148 . . . . . A 64 TYR CE2 . 25294 1 654 . 1 1 64 64 TYR N N 15 120.183 0.125 . . . . . A 64 TYR N . 25294 1 655 . 1 1 65 65 LYS H H 1 8.412 0.025 . . . . . A 65 LYS H . 25294 1 656 . 1 1 65 65 LYS HA H 1 4.721 0.025 . . . . . A 65 LYS HA . 25294 1 657 . 1 1 65 65 LYS HB2 H 1 1.812 0.025 . . . . . A 65 LYS HB2 . 25294 1 658 . 1 1 65 65 LYS HB3 H 1 2.197 0.025 . . . . . A 65 LYS HB3 . 25294 1 659 . 1 1 65 65 LYS HG2 H 1 1.422 0.025 . . . . . A 65 LYS HG2 . 25294 1 660 . 1 1 65 65 LYS HG3 H 1 1.274 0.025 . . . . . A 65 LYS HG3 . 25294 1 661 . 1 1 65 65 LYS HD2 H 1 1.598 0.025 . . . . . A 65 LYS HD2 . 25294 1 662 . 1 1 65 65 LYS HD3 H 1 1.675 0.025 . . . . . A 65 LYS HD3 . 25294 1 663 . 1 1 65 65 LYS HE2 H 1 2.826 0.025 . . . . . A 65 LYS HE2 . 25294 1 664 . 1 1 65 65 LYS HE3 H 1 2.826 0.025 . . . . . A 65 LYS HE3 . 25294 1 665 . 1 1 65 65 LYS CA C 13 52.706 0.148 . . . . . A 65 LYS CA . 25294 1 666 . 1 1 65 65 LYS CB C 13 31.820 0.148 . . . . . A 65 LYS CB . 25294 1 667 . 1 1 65 65 LYS CG C 13 22.224 0.148 . . . . . A 65 LYS CG . 25294 1 668 . 1 1 65 65 LYS CD C 13 26.872 0.148 . . . . . A 65 LYS CD . 25294 1 669 . 1 1 65 65 LYS CE C 13 39.666 0.148 . . . . . A 65 LYS CE . 25294 1 670 . 1 1 65 65 LYS N N 15 115.195 0.125 . . . . . A 65 LYS N . 25294 1 671 . 1 1 66 66 GLU H H 1 7.383 0.025 . . . . . A 66 GLU H . 25294 1 672 . 1 1 66 66 GLU HA H 1 5.213 0.025 . . . . . A 66 GLU HA . 25294 1 673 . 1 1 66 66 GLU HB2 H 1 1.982 0.025 . . . . . A 66 GLU HB2 . 25294 1 674 . 1 1 66 66 GLU HB3 H 1 1.982 0.025 . . . . . A 66 GLU HB3 . 25294 1 675 . 1 1 66 66 GLU HG2 H 1 2.065 0.025 . . . . . A 66 GLU HG2 . 25294 1 676 . 1 1 66 66 GLU HG3 H 1 2.004 0.025 . . . . . A 66 GLU HG3 . 25294 1 677 . 1 1 66 66 GLU CA C 13 52.613 0.148 . . . . . A 66 GLU CA . 25294 1 678 . 1 1 66 66 GLU CB C 13 30.793 0.148 . . . . . A 66 GLU CB . 25294 1 679 . 1 1 66 66 GLU CG C 13 33.396 0.148 . . . . . A 66 GLU CG . 25294 1 680 . 1 1 66 66 GLU N N 15 117.231 0.125 . . . . . A 66 GLU N . 25294 1 681 . 1 1 67 67 PHE H H 1 9.085 0.025 . . . . . A 67 PHE H . 25294 1 682 . 1 1 67 67 PHE HA H 1 4.430 0.025 . . . . . A 67 PHE HA . 25294 1 683 . 1 1 67 67 PHE HB2 H 1 2.970 0.025 . . . . . A 67 PHE HB2 . 25294 1 684 . 1 1 67 67 PHE HB3 H 1 2.439 0.025 . . . . . A 67 PHE HB3 . 25294 1 685 . 1 1 67 67 PHE HD1 H 1 6.967 0.025 . . . . . A 67 PHE HD1 . 25294 1 686 . 1 1 67 67 PHE HD2 H 1 6.967 0.025 . . . . . A 67 PHE HD2 . 25294 1 687 . 1 1 67 67 PHE HE1 H 1 7.187 0.025 . . . . . A 67 PHE HE1 . 25294 1 688 . 1 1 67 67 PHE HE2 H 1 7.187 0.025 . . . . . A 67 PHE HE2 . 25294 1 689 . 1 1 67 67 PHE CA C 13 56.269 0.148 . . . . . A 67 PHE CA . 25294 1 690 . 1 1 67 67 PHE CB C 13 40.275 0.148 . . . . . A 67 PHE CB . 25294 1 691 . 1 1 67 67 PHE CD1 C 13 128.292 0.148 . . . . . A 67 PHE CD1 . 25294 1 692 . 1 1 67 67 PHE CD2 C 13 128.290 0.148 . . . . . A 67 PHE CD2 . 25294 1 693 . 1 1 67 67 PHE CE1 C 13 128.287 0.148 . . . . . A 67 PHE CE1 . 25294 1 694 . 1 1 67 67 PHE CE2 C 13 128.290 0.148 . . . . . A 67 PHE CE2 . 25294 1 695 . 1 1 67 67 PHE N N 15 121.532 0.125 . . . . . A 67 PHE N . 25294 1 696 . 1 1 68 68 ASP H H 1 7.769 0.025 . . . . . A 68 ASP H . 25294 1 697 . 1 1 68 68 ASP HA H 1 4.428 0.025 . . . . . A 68 ASP HA . 25294 1 698 . 1 1 68 68 ASP HB2 H 1 2.463 0.025 . . . . . A 68 ASP HB2 . 25294 1 699 . 1 1 68 68 ASP HB3 H 1 2.076 0.025 . . . . . A 68 ASP HB3 . 25294 1 700 . 1 1 68 68 ASP CA C 13 49.556 0.148 . . . . . A 68 ASP CA . 25294 1 701 . 1 1 68 68 ASP CB C 13 38.424 0.148 . . . . . A 68 ASP CB . 25294 1 702 . 1 1 68 68 ASP N N 15 128.157 0.125 . . . . . A 68 ASP N . 25294 1 703 . 1 1 69 69 GLY H H 1 7.759 0.025 . . . . . A 69 GLY H . 25294 1 704 . 1 1 69 69 GLY HA3 H 1 1.501 0.025 . . . . . A 69 GLY HA3 . 25294 1 705 . 1 1 69 69 GLY CA C 13 40.899 0.148 . . . . . A 69 GLY CA . 25294 1 706 . 1 1 69 69 GLY N N 15 114.151 0.125 . . . . . A 69 GLY N . 25294 1 707 . 1 1 70 70 GLY H H 1 8.682 0.025 . . . . . A 70 GLY H . 25294 1 708 . 1 1 70 70 GLY HA3 H 1 4.390 0.025 . . . . . A 70 GLY HA3 . 25294 1 709 . 1 1 70 70 GLY CA C 13 43.994 0.148 . . . . . A 70 GLY CA . 25294 1 710 . 1 1 70 70 GLY N N 15 113.714 0.125 . . . . . A 70 GLY N . 25294 1 711 . 1 1 71 71 TRP H H 1 7.427 0.025 . . . . . A 71 TRP H . 25294 1 712 . 1 1 71 71 TRP HA H 1 4.808 0.025 . . . . . A 71 TRP HA . 25294 1 713 . 1 1 71 71 TRP HB2 H 1 3.870 0.025 . . . . . A 71 TRP HB2 . 25294 1 714 . 1 1 71 71 TRP HB3 H 1 3.023 0.025 . . . . . A 71 TRP HB3 . 25294 1 715 . 1 1 71 71 TRP HD1 H 1 7.469 0.025 . . . . . A 71 TRP HD1 . 25294 1 716 . 1 1 71 71 TRP HE1 H 1 10.742 0.025 . . . . . A 71 TRP HE1 . 25294 1 717 . 1 1 71 71 TRP HE3 H 1 7.789 0.025 . . . . . A 71 TRP HE3 . 25294 1 718 . 1 1 71 71 TRP HZ2 H 1 7.383 0.025 . . . . . A 71 TRP HZ2 . 25294 1 719 . 1 1 71 71 TRP HZ3 H 1 6.903 0.025 . . . . . A 71 TRP HZ3 . 25294 1 720 . 1 1 71 71 TRP HH2 H 1 6.819 0.025 . . . . . A 71 TRP HH2 . 25294 1 721 . 1 1 71 71 TRP CA C 13 52.777 0.148 . . . . . A 71 TRP CA . 25294 1 722 . 1 1 71 71 TRP CB C 13 25.645 0.148 . . . . . A 71 TRP CB . 25294 1 723 . 1 1 71 71 TRP CD1 C 13 124.703 0.148 . . . . . A 71 TRP CD1 . 25294 1 724 . 1 1 71 71 TRP CE3 C 13 120.101 0.148 . . . . . A 71 TRP CE3 . 25294 1 725 . 1 1 71 71 TRP CZ2 C 13 111.089 0.148 . . . . . A 71 TRP CZ2 . 25294 1 726 . 1 1 71 71 TRP CZ3 C 13 118.322 0.148 . . . . . A 71 TRP CZ3 . 25294 1 727 . 1 1 71 71 TRP CH2 C 13 121.998 0.148 . . . . . A 71 TRP CH2 . 25294 1 728 . 1 1 71 71 TRP N N 15 117.823 0.125 . . . . . A 71 TRP N . 25294 1 729 . 1 1 71 71 TRP NE1 N 15 132.896 0.125 . . . . . A 71 TRP NE1 . 25294 1 730 . 1 1 72 72 TYR H H 1 6.174 0.025 . . . . . A 72 TYR H . 25294 1 731 . 1 1 72 72 TYR HA H 1 5.125 0.025 . . . . . A 72 TYR HA . 25294 1 732 . 1 1 72 72 TYR HB2 H 1 1.982 0.025 . . . . . A 72 TYR HB2 . 25294 1 733 . 1 1 72 72 TYR HB3 H 1 1.742 0.025 . . . . . A 72 TYR HB3 . 25294 1 734 . 1 1 72 72 TYR HD1 H 1 6.118 0.025 . . . . . A 72 TYR HD1 . 25294 1 735 . 1 1 72 72 TYR HD2 H 1 6.118 0.025 . . . . . A 72 TYR HD2 . 25294 1 736 . 1 1 72 72 TYR HE1 H 1 6.118 0.025 . . . . . A 72 TYR HE1 . 25294 1 737 . 1 1 72 72 TYR HE2 H 1 6.118 0.025 . . . . . A 72 TYR HE2 . 25294 1 738 . 1 1 72 72 TYR CA C 13 51.435 0.148 . . . . . A 72 TYR CA . 25294 1 739 . 1 1 72 72 TYR CB C 13 38.620 0.148 . . . . . A 72 TYR CB . 25294 1 740 . 1 1 72 72 TYR CD1 C 13 126.369 0.148 . . . . . A 72 TYR CD1 . 25294 1 741 . 1 1 72 72 TYR CD2 C 13 126.369 0.148 . . . . . A 72 TYR CD2 . 25294 1 742 . 1 1 72 72 TYR CE1 C 13 124.486 0.148 . . . . . A 72 TYR CE1 . 25294 1 743 . 1 1 72 72 TYR CE2 C 13 124.490 0.148 . . . . . A 72 TYR CE2 . 25294 1 744 . 1 1 72 72 TYR N N 15 114.204 0.125 . . . . . A 72 TYR N . 25294 1 745 . 1 1 73 73 LEU H H 1 8.811 0.025 . . . . . A 73 LEU H . 25294 1 746 . 1 1 73 73 LEU HA H 1 4.767 0.025 . . . . . A 73 LEU HA . 25294 1 747 . 1 1 73 73 LEU HB2 H 1 1.484 0.025 . . . . . A 73 LEU HB2 . 25294 1 748 . 1 1 73 73 LEU HB3 H 1 1.339 0.025 . . . . . A 73 LEU HB3 . 25294 1 749 . 1 1 73 73 LEU HD11 H 1 0.706 0.025 . . . . . A 73 LEU HD11 . 25294 1 750 . 1 1 73 73 LEU HD12 H 1 0.706 0.025 . . . . . A 73 LEU HD12 . 25294 1 751 . 1 1 73 73 LEU HD13 H 1 0.706 0.025 . . . . . A 73 LEU HD13 . 25294 1 752 . 1 1 73 73 LEU CA C 13 51.332 0.148 . . . . . A 73 LEU CA . 25294 1 753 . 1 1 73 73 LEU CB C 13 43.403 0.148 . . . . . A 73 LEU CB . 25294 1 754 . 1 1 73 73 LEU CD1 C 13 23.020 0.148 . . . . . A 73 LEU CD1 . 25294 1 755 . 1 1 73 73 LEU N N 15 121.469 0.125 . . . . . A 73 LEU N . 25294 1 756 . 1 1 74 74 VAL H H 1 8.905 0.025 . . . . . A 74 VAL H . 25294 1 757 . 1 1 74 74 VAL HA H 1 4.783 0.025 . . . . . A 74 VAL HA . 25294 1 758 . 1 1 74 74 VAL HB H 1 2.065 0.025 . . . . . A 74 VAL HB . 25294 1 759 . 1 1 74 74 VAL HG11 H 1 0.872 0.025 . . . . . A 74 VAL HG11 . 25294 1 760 . 1 1 74 74 VAL HG12 H 1 0.872 0.025 . . . . . A 74 VAL HG12 . 25294 1 761 . 1 1 74 74 VAL HG13 H 1 0.872 0.025 . . . . . A 74 VAL HG13 . 25294 1 762 . 1 1 74 74 VAL HG21 H 1 0.695 0.025 . . . . . A 74 VAL HG21 . 25294 1 763 . 1 1 74 74 VAL HG22 H 1 0.695 0.025 . . . . . A 74 VAL HG22 . 25294 1 764 . 1 1 74 74 VAL HG23 H 1 0.695 0.025 . . . . . A 74 VAL HG23 . 25294 1 765 . 1 1 74 74 VAL CA C 13 57.812 0.148 . . . . . A 74 VAL CA . 25294 1 766 . 1 1 74 74 VAL CB C 13 31.820 0.148 . . . . . A 74 VAL CB . 25294 1 767 . 1 1 74 74 VAL CG1 C 13 20.294 0.148 . . . . . A 74 VAL CG1 . 25294 1 768 . 1 1 74 74 VAL CG2 C 13 21.000 0.148 . . . . . A 74 VAL CG2 . 25294 1 769 . 1 1 74 74 VAL N N 15 124.558 0.125 . . . . . A 74 VAL N . 25294 1 770 . 1 1 75 75 LYS H H 1 9.227 0.025 . . . . . A 75 LYS H . 25294 1 771 . 1 1 75 75 LYS HA H 1 5.110 0.025 . . . . . A 75 LYS HA . 25294 1 772 . 1 1 75 75 LYS HB2 H 1 1.599 0.025 . . . . . A 75 LYS HB2 . 25294 1 773 . 1 1 75 75 LYS HB3 H 1 1.763 0.025 . . . . . A 75 LYS HB3 . 25294 1 774 . 1 1 75 75 LYS HG2 H 1 1.306 0.025 . . . . . A 75 LYS HG2 . 25294 1 775 . 1 1 75 75 LYS HG3 H 1 1.306 0.025 . . . . . A 75 LYS HG3 . 25294 1 776 . 1 1 75 75 LYS HD2 H 1 1.514 0.025 . . . . . A 75 LYS HD2 . 25294 1 777 . 1 1 75 75 LYS HD3 H 1 1.514 0.025 . . . . . A 75 LYS HD3 . 25294 1 778 . 1 1 75 75 LYS HE2 H 1 2.830 0.025 . . . . . A 75 LYS HE2 . 25294 1 779 . 1 1 75 75 LYS HE3 H 1 2.830 0.025 . . . . . A 75 LYS HE3 . 25294 1 780 . 1 1 75 75 LYS CA C 13 52.804 0.148 . . . . . A 75 LYS CA . 25294 1 781 . 1 1 75 75 LYS CB C 13 34.575 0.148 . . . . . A 75 LYS CB . 25294 1 782 . 1 1 75 75 LYS CG C 13 22.626 0.148 . . . . . A 75 LYS CG . 25294 1 783 . 1 1 75 75 LYS CD C 13 27.094 0.148 . . . . . A 75 LYS CD . 25294 1 784 . 1 1 75 75 LYS CE C 13 39.741 0.148 . . . . . A 75 LYS CE . 25294 1 785 . 1 1 75 75 LYS N N 15 125.824 0.125 . . . . . A 75 LYS N . 25294 1 786 . 1 1 76 76 ILE H H 1 8.701 0.025 . . . . . A 76 ILE H . 25294 1 787 . 1 1 76 76 ILE HA H 1 5.078 0.025 . . . . . A 76 ILE HA . 25294 1 788 . 1 1 76 76 ILE HB H 1 1.550 0.025 . . . . . A 76 ILE HB . 25294 1 789 . 1 1 76 76 ILE HG12 H 1 1.507 0.025 . . . . . A 76 ILE HG12 . 25294 1 790 . 1 1 76 76 ILE HG13 H 1 0.895 0.025 . . . . . A 76 ILE HG13 . 25294 1 791 . 1 1 76 76 ILE HG21 H 1 0.324 0.025 . . . . . A 76 ILE HG21 . 25294 1 792 . 1 1 76 76 ILE HG22 H 1 0.324 0.025 . . . . . A 76 ILE HG22 . 25294 1 793 . 1 1 76 76 ILE HG23 H 1 0.324 0.025 . . . . . A 76 ILE HG23 . 25294 1 794 . 1 1 76 76 ILE HD11 H 1 0.920 0.025 . . . . . A 76 ILE HD11 . 25294 1 795 . 1 1 76 76 ILE HD12 H 1 0.920 0.025 . . . . . A 76 ILE HD12 . 25294 1 796 . 1 1 76 76 ILE HD13 H 1 0.920 0.025 . . . . . A 76 ILE HD13 . 25294 1 797 . 1 1 76 76 ILE CA C 13 57.367 0.148 . . . . . A 76 ILE CA . 25294 1 798 . 1 1 76 76 ILE CB C 13 37.593 0.148 . . . . . A 76 ILE CB . 25294 1 799 . 1 1 76 76 ILE CG1 C 13 26.562 0.148 . . . . . A 76 ILE CG1 . 25294 1 800 . 1 1 76 76 ILE CG2 C 13 14.059 0.148 . . . . . A 76 ILE CG2 . 25294 1 801 . 1 1 76 76 ILE CD1 C 13 13.622 0.148 . . . . . A 76 ILE CD1 . 25294 1 802 . 1 1 76 76 ILE N N 15 124.647 0.125 . . . . . A 76 ILE N . 25294 1 803 . 1 1 77 77 GLU H H 1 8.714 0.025 . . . . . A 77 GLU H . 25294 1 804 . 1 1 77 77 GLU HA H 1 4.444 0.025 . . . . . A 77 GLU HA . 25294 1 805 . 1 1 77 77 GLU HB2 H 1 1.806 0.025 . . . . . A 77 GLU HB2 . 25294 1 806 . 1 1 77 77 GLU HB3 H 1 1.923 0.025 . . . . . A 77 GLU HB3 . 25294 1 807 . 1 1 77 77 GLU HG2 H 1 2.146 0.025 . . . . . A 77 GLU HG2 . 25294 1 808 . 1 1 77 77 GLU HG3 H 1 2.058 0.025 . . . . . A 77 GLU HG3 . 25294 1 809 . 1 1 77 77 GLU CA C 13 52.471 0.148 . . . . . A 77 GLU CA . 25294 1 810 . 1 1 77 77 GLU CB C 13 29.914 0.148 . . . . . A 77 GLU CB . 25294 1 811 . 1 1 77 77 GLU CG C 13 33.811 0.148 . . . . . A 77 GLU CG . 25294 1 812 . 1 1 77 77 GLU N N 15 128.081 0.125 . . . . . A 77 GLU N . 25294 1 813 . 1 1 78 78 ASP H H 1 9.145 0.025 . . . . . A 78 ASP H . 25294 1 814 . 1 1 78 78 ASP HA H 1 4.100 0.025 . . . . . A 78 ASP HA . 25294 1 815 . 1 1 78 78 ASP HB2 H 1 2.907 0.025 . . . . . A 78 ASP HB2 . 25294 1 816 . 1 1 78 78 ASP HB3 H 1 2.907 0.025 . . . . . A 78 ASP HB3 . 25294 1 817 . 1 1 78 78 ASP CA C 13 54.063 0.148 . . . . . A 78 ASP CA . 25294 1 818 . 1 1 78 78 ASP CB C 13 36.738 0.148 . . . . . A 78 ASP CB . 25294 1 819 . 1 1 78 78 ASP N N 15 126.158 0.125 . . . . . A 78 ASP N . 25294 1 820 . 1 1 79 79 ASN H H 1 8.427 0.025 . . . . . A 79 ASN H . 25294 1 821 . 1 1 79 79 ASN HA H 1 4.646 0.025 . . . . . A 79 ASN HA . 25294 1 822 . 1 1 79 79 ASN HB2 H 1 3.446 0.025 . . . . . A 79 ASN HB2 . 25294 1 823 . 1 1 79 79 ASN HB3 H 1 2.717 0.025 . . . . . A 79 ASN HB3 . 25294 1 824 . 1 1 79 79 ASN HD21 H 1 7.098 0.025 . . . . . A 79 ASN HD21 . 25294 1 825 . 1 1 79 79 ASN HD22 H 1 7.826 0.025 . . . . . A 79 ASN HD22 . 25294 1 826 . 1 1 79 79 ASN CA C 13 51.209 0.148 . . . . . A 79 ASN CA . 25294 1 827 . 1 1 79 79 ASN CB C 13 35.350 0.148 . . . . . A 79 ASN CB . 25294 1 828 . 1 1 79 79 ASN N N 15 118.653 0.125 . . . . . A 79 ASN N . 25294 1 829 . 1 1 79 79 ASN ND2 N 15 113.576 0.125 . . . . . A 79 ASN ND2 . 25294 1 830 . 1 1 80 80 GLU H H 1 8.381 0.025 . . . . . A 80 GLU H . 25294 1 831 . 1 1 80 80 GLU HA H 1 5.509 0.025 . . . . . A 80 GLU HA . 25294 1 832 . 1 1 80 80 GLU HB2 H 1 1.813 0.025 . . . . . A 80 GLU HB2 . 25294 1 833 . 1 1 80 80 GLU HB3 H 1 2.239 0.025 . . . . . A 80 GLU HB3 . 25294 1 834 . 1 1 80 80 GLU HG2 H 1 2.004 0.025 . . . . . A 80 GLU HG2 . 25294 1 835 . 1 1 80 80 GLU HG3 H 1 2.436 0.025 . . . . . A 80 GLU HG3 . 25294 1 836 . 1 1 80 80 GLU CA C 13 52.860 0.148 . . . . . A 80 GLU CA . 25294 1 837 . 1 1 80 80 GLU CB C 13 29.673 0.148 . . . . . A 80 GLU CB . 25294 1 838 . 1 1 80 80 GLU CG C 13 34.409 0.148 . . . . . A 80 GLU CG . 25294 1 839 . 1 1 80 80 GLU N N 15 120.378 0.125 . . . . . A 80 GLU N . 25294 1 840 . 1 1 81 81 LEU H H 1 9.430 0.025 . . . . . A 81 LEU H . 25294 1 841 . 1 1 81 81 LEU HA H 1 4.966 0.025 . . . . . A 81 LEU HA . 25294 1 842 . 1 1 81 81 LEU HB2 H 1 2.099 0.025 . . . . . A 81 LEU HB2 . 25294 1 843 . 1 1 81 81 LEU HB3 H 1 1.553 0.025 . . . . . A 81 LEU HB3 . 25294 1 844 . 1 1 81 81 LEU HG H 1 1.284 0.025 . . . . . A 81 LEU HG . 25294 1 845 . 1 1 81 81 LEU HD11 H 1 0.743 0.025 . . . . . A 81 LEU HD11 . 25294 1 846 . 1 1 81 81 LEU HD12 H 1 0.743 0.025 . . . . . A 81 LEU HD12 . 25294 1 847 . 1 1 81 81 LEU HD13 H 1 0.743 0.025 . . . . . A 81 LEU HD13 . 25294 1 848 . 1 1 81 81 LEU HD21 H 1 0.143 0.025 . . . . . A 81 LEU HD21 . 25294 1 849 . 1 1 81 81 LEU HD22 H 1 0.143 0.025 . . . . . A 81 LEU HD22 . 25294 1 850 . 1 1 81 81 LEU HD23 H 1 0.143 0.025 . . . . . A 81 LEU HD23 . 25294 1 851 . 1 1 81 81 LEU CA C 13 51.014 0.148 . . . . . A 81 LEU CA . 25294 1 852 . 1 1 81 81 LEU CB C 13 42.550 0.148 . . . . . A 81 LEU CB . 25294 1 853 . 1 1 81 81 LEU CG C 13 25.056 0.148 . . . . . A 81 LEU CG . 25294 1 854 . 1 1 81 81 LEU CD1 C 13 22.049 0.148 . . . . . A 81 LEU CD1 . 25294 1 855 . 1 1 81 81 LEU CD2 C 13 23.211 0.148 . . . . . A 81 LEU CD2 . 25294 1 856 . 1 1 81 81 LEU N N 15 125.771 0.125 . . . . . A 81 LEU N . 25294 1 857 . 1 1 82 82 LYS H H 1 9.512 0.025 . . . . . A 82 LYS H . 25294 1 858 . 1 1 82 82 LYS HA H 1 5.245 0.025 . . . . . A 82 LYS HA . 25294 1 859 . 1 1 82 82 LYS HB2 H 1 1.732 0.025 . . . . . A 82 LYS HB2 . 25294 1 860 . 1 1 82 82 LYS HB3 H 1 1.732 0.025 . . . . . A 82 LYS HB3 . 25294 1 861 . 1 1 82 82 LYS HG2 H 1 1.344 0.025 . . . . . A 82 LYS HG2 . 25294 1 862 . 1 1 82 82 LYS HG3 H 1 1.306 0.025 . . . . . A 82 LYS HG3 . 25294 1 863 . 1 1 82 82 LYS HD2 H 1 1.554 0.025 . . . . . A 82 LYS HD2 . 25294 1 864 . 1 1 82 82 LYS HD3 H 1 1.554 0.025 . . . . . A 82 LYS HD3 . 25294 1 865 . 1 1 82 82 LYS HE2 H 1 2.836 0.025 . . . . . A 82 LYS HE2 . 25294 1 866 . 1 1 82 82 LYS HE3 H 1 2.836 0.025 . . . . . A 82 LYS HE3 . 25294 1 867 . 1 1 82 82 LYS CA C 13 52.332 0.148 . . . . . A 82 LYS CA . 25294 1 868 . 1 1 82 82 LYS CB C 13 32.179 0.148 . . . . . A 82 LYS CB . 25294 1 869 . 1 1 82 82 LYS CG C 13 23.168 0.148 . . . . . A 82 LYS CG . 25294 1 870 . 1 1 82 82 LYS CD C 13 26.867 0.148 . . . . . A 82 LYS CD . 25294 1 871 . 1 1 82 82 LYS CE C 13 39.835 0.148 . . . . . A 82 LYS CE . 25294 1 872 . 1 1 82 82 LYS N N 15 128.076 0.125 . . . . . A 82 LYS N . 25294 1 873 . 1 1 83 83 VAL H H 1 8.627 0.025 . . . . . A 83 VAL H . 25294 1 874 . 1 1 83 83 VAL HA H 1 4.908 0.025 . . . . . A 83 VAL HA . 25294 1 875 . 1 1 83 83 VAL HB H 1 1.730 0.025 . . . . . A 83 VAL HB . 25294 1 876 . 1 1 83 83 VAL HG11 H 1 0.724 0.025 . . . . . A 83 VAL HG11 . 25294 1 877 . 1 1 83 83 VAL HG12 H 1 0.724 0.025 . . . . . A 83 VAL HG12 . 25294 1 878 . 1 1 83 83 VAL HG13 H 1 0.724 0.025 . . . . . A 83 VAL HG13 . 25294 1 879 . 1 1 83 83 VAL HG21 H 1 0.230 0.025 . . . . . A 83 VAL HG21 . 25294 1 880 . 1 1 83 83 VAL HG22 H 1 0.230 0.025 . . . . . A 83 VAL HG22 . 25294 1 881 . 1 1 83 83 VAL HG23 H 1 0.230 0.025 . . . . . A 83 VAL HG23 . 25294 1 882 . 1 1 83 83 VAL CA C 13 58.380 0.148 . . . . . A 83 VAL CA . 25294 1 883 . 1 1 83 83 VAL CB C 13 32.168 0.148 . . . . . A 83 VAL CB . 25294 1 884 . 1 1 83 83 VAL CG1 C 13 18.038 0.148 . . . . . A 83 VAL CG1 . 25294 1 885 . 1 1 83 83 VAL CG2 C 13 18.318 0.148 . . . . . A 83 VAL CG2 . 25294 1 886 . 1 1 83 83 VAL N N 15 124.216 0.125 . . . . . A 83 VAL N . 25294 1 887 . 1 1 84 84 ILE H H 1 9.049 0.025 . . . . . A 84 ILE H . 25294 1 888 . 1 1 84 84 ILE HA H 1 4.530 0.025 . . . . . A 84 ILE HA . 25294 1 889 . 1 1 84 84 ILE HB H 1 1.671 0.025 . . . . . A 84 ILE HB . 25294 1 890 . 1 1 84 84 ILE HG12 H 1 1.095 0.025 . . . . . A 84 ILE HG12 . 25294 1 891 . 1 1 84 84 ILE HG13 H 1 1.425 0.025 . . . . . A 84 ILE HG13 . 25294 1 892 . 1 1 84 84 ILE HG21 H 1 0.770 0.025 . . . . . A 84 ILE HG21 . 25294 1 893 . 1 1 84 84 ILE HG22 H 1 0.770 0.025 . . . . . A 84 ILE HG22 . 25294 1 894 . 1 1 84 84 ILE HG23 H 1 0.770 0.025 . . . . . A 84 ILE HG23 . 25294 1 895 . 1 1 84 84 ILE HD11 H 1 0.774 0.025 . . . . . A 84 ILE HD11 . 25294 1 896 . 1 1 84 84 ILE HD12 H 1 0.774 0.025 . . . . . A 84 ILE HD12 . 25294 1 897 . 1 1 84 84 ILE HD13 H 1 0.774 0.025 . . . . . A 84 ILE HD13 . 25294 1 898 . 1 1 84 84 ILE CA C 13 58.406 0.148 . . . . . A 84 ILE CA . 25294 1 899 . 1 1 84 84 ILE CB C 13 38.166 0.148 . . . . . A 84 ILE CB . 25294 1 900 . 1 1 84 84 ILE CG1 C 13 25.218 0.148 . . . . . A 84 ILE CG1 . 25294 1 901 . 1 1 84 84 ILE CG2 C 13 15.472 0.148 . . . . . A 84 ILE CG2 . 25294 1 902 . 1 1 84 84 ILE CD1 C 13 11.600 0.148 . . . . . A 84 ILE CD1 . 25294 1 903 . 1 1 84 84 ILE N N 15 129.084 0.125 . . . . . A 84 ILE N . 25294 1 904 . 1 1 85 85 ILE H H 1 8.822 0.025 . . . . . A 85 ILE H . 25294 1 905 . 1 1 85 85 ILE HA H 1 4.585 0.025 . . . . . A 85 ILE HA . 25294 1 906 . 1 1 85 85 ILE HB H 1 1.690 0.025 . . . . . A 85 ILE HB . 25294 1 907 . 1 1 85 85 ILE HG12 H 1 0.986 0.025 . . . . . A 85 ILE HG12 . 25294 1 908 . 1 1 85 85 ILE HG13 H 1 0.986 0.025 . . . . . A 85 ILE HG13 . 25294 1 909 . 1 1 85 85 ILE HG21 H 1 1.441 0.025 . . . . . A 85 ILE HG21 . 25294 1 910 . 1 1 85 85 ILE HG22 H 1 1.441 0.025 . . . . . A 85 ILE HG22 . 25294 1 911 . 1 1 85 85 ILE HG23 H 1 1.441 0.025 . . . . . A 85 ILE HG23 . 25294 1 912 . 1 1 85 85 ILE HD11 H 1 0.893 0.025 . . . . . A 85 ILE HD11 . 25294 1 913 . 1 1 85 85 ILE HD12 H 1 0.893 0.025 . . . . . A 85 ILE HD12 . 25294 1 914 . 1 1 85 85 ILE HD13 H 1 0.893 0.025 . . . . . A 85 ILE HD13 . 25294 1 915 . 1 1 85 85 ILE CA C 13 58.460 0.148 . . . . . A 85 ILE CA . 25294 1 916 . 1 1 85 85 ILE CB C 13 38.498 0.148 . . . . . A 85 ILE CB . 25294 1 917 . 1 1 85 85 ILE CG1 C 13 26.625 0.148 . . . . . A 85 ILE CG1 . 25294 1 918 . 1 1 85 85 ILE CG2 C 13 16.537 0.148 . . . . . A 85 ILE CG2 . 25294 1 919 . 1 1 85 85 ILE CD1 C 13 12.505 0.148 . . . . . A 85 ILE CD1 . 25294 1 920 . 1 1 85 85 ILE N N 15 127.360 0.125 . . . . . A 85 ILE N . 25294 1 921 . 1 1 86 86 ASN H H 1 8.961 0.025 . . . . . A 86 ASN H . 25294 1 922 . 1 1 86 86 ASN HA H 1 4.766 0.025 . . . . . A 86 ASN HA . 25294 1 923 . 1 1 86 86 ASN HB2 H 1 3.005 0.025 . . . . . A 86 ASN HB2 . 25294 1 924 . 1 1 86 86 ASN HB3 H 1 3.053 0.025 . . . . . A 86 ASN HB3 . 25294 1 925 . 1 1 86 86 ASN HD21 H 1 6.730 0.025 . . . . . A 86 ASN HD21 . 25294 1 926 . 1 1 86 86 ASN HD22 H 1 7.438 0.025 . . . . . A 86 ASN HD22 . 25294 1 927 . 1 1 86 86 ASN CA C 13 50.182 0.148 . . . . . A 86 ASN CA . 25294 1 928 . 1 1 86 86 ASN CB C 13 36.891 0.148 . . . . . A 86 ASN CB . 25294 1 929 . 1 1 86 86 ASN N N 15 128.337 0.125 . . . . . A 86 ASN N . 25294 1 930 . 1 1 86 86 ASN ND2 N 15 110.023 0.125 . . . . . A 86 ASN ND2 . 25294 1 931 . 1 1 87 87 ARG H H 1 8.373 0.025 . . . . . A 87 ARG H . 25294 1 932 . 1 1 87 87 ARG HA H 1 3.991 0.025 . . . . . A 87 ARG HA . 25294 1 933 . 1 1 87 87 ARG HB2 H 1 1.818 0.025 . . . . . A 87 ARG HB2 . 25294 1 934 . 1 1 87 87 ARG HB3 H 1 1.611 0.025 . . . . . A 87 ARG HB3 . 25294 1 935 . 1 1 87 87 ARG HG2 H 1 1.602 0.025 . . . . . A 87 ARG HG2 . 25294 1 936 . 1 1 87 87 ARG HG3 H 1 1.163 0.025 . . . . . A 87 ARG HG3 . 25294 1 937 . 1 1 87 87 ARG HD2 H 1 3.180 0.025 . . . . . A 87 ARG HD2 . 25294 1 938 . 1 1 87 87 ARG HD3 H 1 3.109 0.025 . . . . . A 87 ARG HD3 . 25294 1 939 . 1 1 87 87 ARG CA C 13 54.198 0.148 . . . . . A 87 ARG CA . 25294 1 940 . 1 1 87 87 ARG CB C 13 28.403 0.148 . . . . . A 87 ARG CB . 25294 1 941 . 1 1 87 87 ARG CG C 13 24.983 0.148 . . . . . A 87 ARG CG . 25294 1 942 . 1 1 87 87 ARG CD C 13 40.886 0.148 . . . . . A 87 ARG CD . 25294 1 943 . 1 1 87 87 ARG N N 15 119.368 0.125 . . . . . A 87 ARG N . 25294 1 944 . 1 1 88 88 ASN H H 1 9.452 0.025 . . . . . A 88 ASN H . 25294 1 945 . 1 1 88 88 ASN HA H 1 4.725 0.025 . . . . . A 88 ASN HA . 25294 1 946 . 1 1 88 88 ASN HB2 H 1 2.998 0.025 . . . . . A 88 ASN HB2 . 25294 1 947 . 1 1 88 88 ASN HB3 H 1 2.384 0.025 . . . . . A 88 ASN HB3 . 25294 1 948 . 1 1 88 88 ASN HD21 H 1 7.095 0.025 . . . . . A 88 ASN HD21 . 25294 1 949 . 1 1 88 88 ASN HD22 H 1 7.283 0.025 . . . . . A 88 ASN HD22 . 25294 1 950 . 1 1 88 88 ASN CA C 13 49.103 0.148 . . . . . A 88 ASN CA . 25294 1 951 . 1 1 88 88 ASN CB C 13 34.757 0.148 . . . . . A 88 ASN CB . 25294 1 952 . 1 1 88 88 ASN N N 15 125.082 0.125 . . . . . A 88 ASN N . 25294 1 953 . 1 1 88 88 ASN ND2 N 15 110.402 0.125 . . . . . A 88 ASN ND2 . 25294 1 954 . 1 1 89 89 GLU H H 1 9.178 0.025 . . . . . A 89 GLU H . 25294 1 955 . 1 1 89 89 GLU HA H 1 4.358 0.025 . . . . . A 89 GLU HA . 25294 1 956 . 1 1 89 89 GLU HB2 H 1 2.174 0.025 . . . . . A 89 GLU HB2 . 25294 1 957 . 1 1 89 89 GLU HB3 H 1 1.766 0.025 . . . . . A 89 GLU HB3 . 25294 1 958 . 1 1 89 89 GLU HG2 H 1 2.089 0.025 . . . . . A 89 GLU HG2 . 25294 1 959 . 1 1 89 89 GLU HG3 H 1 1.999 0.025 . . . . . A 89 GLU HG3 . 25294 1 960 . 1 1 89 89 GLU CA C 13 53.013 0.148 . . . . . A 89 GLU CA . 25294 1 961 . 1 1 89 89 GLU CB C 13 27.084 0.148 . . . . . A 89 GLU CB . 25294 1 962 . 1 1 89 89 GLU CG C 13 34.362 0.148 . . . . . A 89 GLU CG . 25294 1 963 . 1 1 89 89 GLU N N 15 125.309 0.125 . . . . . A 89 GLU N . 25294 1 964 . 1 1 90 90 THR H H 1 7.837 0.025 . . . . . A 90 THR H . 25294 1 965 . 1 1 90 90 THR HA H 1 4.534 0.025 . . . . . A 90 THR HA . 25294 1 966 . 1 1 90 90 THR HB H 1 4.270 0.025 . . . . . A 90 THR HB . 25294 1 967 . 1 1 90 90 THR HG21 H 1 1.147 0.025 . . . . . A 90 THR HG21 . 25294 1 968 . 1 1 90 90 THR HG22 H 1 1.147 0.025 . . . . . A 90 THR HG22 . 25294 1 969 . 1 1 90 90 THR HG23 H 1 1.147 0.025 . . . . . A 90 THR HG23 . 25294 1 970 . 1 1 90 90 THR CA C 13 58.161 0.148 . . . . . A 90 THR CA . 25294 1 971 . 1 1 90 90 THR CB C 13 68.409 0.148 . . . . . A 90 THR CB . 25294 1 972 . 1 1 90 90 THR CG2 C 13 18.538 0.148 . . . . . A 90 THR CG2 . 25294 1 973 . 1 1 90 90 THR N N 15 112.516 0.125 . . . . . A 90 THR N . 25294 1 974 . 1 1 91 91 ASN H H 1 8.287 0.025 . . . . . A 91 ASN H . 25294 1 975 . 1 1 91 91 ASN HA H 1 4.707 0.025 . . . . . A 91 ASN HA . 25294 1 976 . 1 1 91 91 ASN HB2 H 1 2.765 0.025 . . . . . A 91 ASN HB2 . 25294 1 977 . 1 1 91 91 ASN HB3 H 1 2.830 0.025 . . . . . A 91 ASN HB3 . 25294 1 978 . 1 1 91 91 ASN HD21 H 1 6.718 0.025 . . . . . A 91 ASN HD21 . 25294 1 979 . 1 1 91 91 ASN HD22 H 1 7.391 0.025 . . . . . A 91 ASN HD22 . 25294 1 980 . 1 1 91 91 ASN CA C 13 49.796 0.148 . . . . . A 91 ASN CA . 25294 1 981 . 1 1 91 91 ASN CB C 13 35.474 0.148 . . . . . A 91 ASN CB . 25294 1 982 . 1 1 91 91 ASN N N 15 116.717 0.125 . . . . . A 91 ASN N . 25294 1 983 . 1 1 91 91 ASN ND2 N 15 110.295 0.125 . . . . . A 91 ASN ND2 . 25294 1 984 . 1 1 92 92 ALA H H 1 7.691 0.025 . . . . . A 92 ALA H . 25294 1 985 . 1 1 92 92 ALA HA H 1 4.636 0.025 . . . . . A 92 ALA HA . 25294 1 986 . 1 1 92 92 ALA HB1 H 1 1.240 0.025 . . . . . A 92 ALA HB1 . 25294 1 987 . 1 1 92 92 ALA HB2 H 1 1.240 0.025 . . . . . A 92 ALA HB2 . 25294 1 988 . 1 1 92 92 ALA HB3 H 1 1.240 0.025 . . . . . A 92 ALA HB3 . 25294 1 989 . 1 1 92 92 ALA CA C 13 48.049 0.148 . . . . . A 92 ALA CA . 25294 1 990 . 1 1 92 92 ALA CB C 13 19.716 0.148 . . . . . A 92 ALA CB . 25294 1 991 . 1 1 92 92 ALA N N 15 122.025 0.125 . . . . . A 92 ALA N . 25294 1 992 . 1 1 93 93 SER H H 1 8.258 0.025 . . . . . A 93 SER H . 25294 1 993 . 1 1 93 93 SER HA H 1 4.536 0.025 . . . . . A 93 SER HA . 25294 1 994 . 1 1 93 93 SER HB2 H 1 3.821 0.025 . . . . . A 93 SER HB2 . 25294 1 995 . 1 1 93 93 SER HB3 H 1 3.684 0.025 . . . . . A 93 SER HB3 . 25294 1 996 . 1 1 93 93 SER CA C 13 54.865 0.148 . . . . . A 93 SER CA . 25294 1 997 . 1 1 93 93 SER CB C 13 61.292 0.148 . . . . . A 93 SER CB . 25294 1 998 . 1 1 93 93 SER N N 15 115.895 0.125 . . . . . A 93 SER N . 25294 1 999 . 1 1 94 94 ARG H H 1 8.334 0.025 . . . . . A 94 ARG H . 25294 1 1000 . 1 1 94 94 ARG HA H 1 4.914 0.025 . . . . . A 94 ARG HA . 25294 1 1001 . 1 1 94 94 ARG HB2 H 1 1.413 0.025 . . . . . A 94 ARG HB2 . 25294 1 1002 . 1 1 94 94 ARG HB3 H 1 1.413 0.025 . . . . . A 94 ARG HB3 . 25294 1 1003 . 1 1 94 94 ARG HG2 H 1 0.683 0.025 . . . . . A 94 ARG HG2 . 25294 1 1004 . 1 1 94 94 ARG HG3 H 1 1.100 0.025 . . . . . A 94 ARG HG3 . 25294 1 1005 . 1 1 94 94 ARG HD2 H 1 2.064 0.025 . . . . . A 94 ARG HD2 . 25294 1 1006 . 1 1 94 94 ARG HD3 H 1 2.064 0.025 . . . . . A 94 ARG HD3 . 25294 1 1007 . 1 1 94 94 ARG CA C 13 52.096 0.148 . . . . . A 94 ARG CA . 25294 1 1008 . 1 1 94 94 ARG CB C 13 29.512 0.148 . . . . . A 94 ARG CB . 25294 1 1009 . 1 1 94 94 ARG CG C 13 22.117 0.148 . . . . . A 94 ARG CG . 25294 1 1010 . 1 1 94 94 ARG CD C 13 40.728 0.148 . . . . . A 94 ARG CD . 25294 1 1011 . 1 1 94 94 ARG N N 15 119.529 0.125 . . . . . A 94 ARG N . 25294 1 1012 . 1 1 95 95 SER H H 1 8.947 0.025 . . . . . A 95 SER H . 25294 1 1013 . 1 1 95 95 SER HA H 1 5.926 0.025 . . . . . A 95 SER HA . 25294 1 1014 . 1 1 95 95 SER HB2 H 1 3.808 0.025 . . . . . A 95 SER HB2 . 25294 1 1015 . 1 1 95 95 SER HB3 H 1 3.748 0.025 . . . . . A 95 SER HB3 . 25294 1 1016 . 1 1 95 95 SER CA C 13 54.219 0.148 . . . . . A 95 SER CA . 25294 1 1017 . 1 1 95 95 SER CB C 13 65.271 0.148 . . . . . A 95 SER CB . 25294 1 1018 . 1 1 95 95 SER N N 15 114.542 0.125 . . . . . A 95 SER N . 25294 1 1019 . 1 1 96 96 PHE H H 1 8.239 0.025 . . . . . A 96 PHE H . 25294 1 1020 . 1 1 96 96 PHE HA H 1 5.338 0.025 . . . . . A 96 PHE HA . 25294 1 1021 . 1 1 96 96 PHE HB2 H 1 2.765 0.025 . . . . . A 96 PHE HB2 . 25294 1 1022 . 1 1 96 96 PHE HB3 H 1 2.646 0.025 . . . . . A 96 PHE HB3 . 25294 1 1023 . 1 1 96 96 PHE HD1 H 1 6.290 0.025 . . . . . A 96 PHE HD1 . 25294 1 1024 . 1 1 96 96 PHE HD2 H 1 6.290 0.025 . . . . . A 96 PHE HD2 . 25294 1 1025 . 1 1 96 96 PHE CA C 13 54.480 0.148 . . . . . A 96 PHE CA . 25294 1 1026 . 1 1 96 96 PHE CB C 13 38.868 0.148 . . . . . A 96 PHE CB . 25294 1 1027 . 1 1 96 96 PHE CD1 C 13 128.720 0.148 . . . . . A 96 PHE CD1 . 25294 1 1028 . 1 1 96 96 PHE CD2 C 13 128.721 0.148 . . . . . A 96 PHE CD2 . 25294 1 1029 . 1 1 96 96 PHE N N 15 117.183 0.125 . . . . . A 96 PHE N . 25294 1 1030 . 1 1 97 97 THR H H 1 9.264 0.025 . . . . . A 97 THR H . 25294 1 1031 . 1 1 97 97 THR HA H 1 5.250 0.025 . . . . . A 97 THR HA . 25294 1 1032 . 1 1 97 97 THR HB H 1 3.729 0.025 . . . . . A 97 THR HB . 25294 1 1033 . 1 1 97 97 THR HG21 H 1 0.920 0.025 . . . . . A 97 THR HG21 . 25294 1 1034 . 1 1 97 97 THR HG22 H 1 0.920 0.025 . . . . . A 97 THR HG22 . 25294 1 1035 . 1 1 97 97 THR HG23 H 1 0.920 0.025 . . . . . A 97 THR HG23 . 25294 1 1036 . 1 1 97 97 THR CA C 13 58.178 0.148 . . . . . A 97 THR CA . 25294 1 1037 . 1 1 97 97 THR CB C 13 69.068 0.148 . . . . . A 97 THR CB . 25294 1 1038 . 1 1 97 97 THR CG2 C 13 19.114 0.148 . . . . . A 97 THR CG2 . 25294 1 1039 . 1 1 97 97 THR N N 15 115.263 0.125 . . . . . A 97 THR N . 25294 1 1040 . 1 1 98 98 VAL H H 1 9.316 0.025 . . . . . A 98 VAL H . 25294 1 1041 . 1 1 98 98 VAL HA H 1 4.857 0.025 . . . . . A 98 VAL HA . 25294 1 1042 . 1 1 98 98 VAL HB H 1 2.127 0.025 . . . . . A 98 VAL HB . 25294 1 1043 . 1 1 98 98 VAL HG11 H 1 1.072 0.025 . . . . . A 98 VAL HG11 . 25294 1 1044 . 1 1 98 98 VAL HG12 H 1 1.072 0.025 . . . . . A 98 VAL HG12 . 25294 1 1045 . 1 1 98 98 VAL HG13 H 1 1.072 0.025 . . . . . A 98 VAL HG13 . 25294 1 1046 . 1 1 98 98 VAL HG21 H 1 1.167 0.025 . . . . . A 98 VAL HG21 . 25294 1 1047 . 1 1 98 98 VAL HG22 H 1 1.167 0.025 . . . . . A 98 VAL HG22 . 25294 1 1048 . 1 1 98 98 VAL HG23 H 1 1.167 0.025 . . . . . A 98 VAL HG23 . 25294 1 1049 . 1 1 98 98 VAL CA C 13 57.409 0.148 . . . . . A 98 VAL CA . 25294 1 1050 . 1 1 98 98 VAL CB C 13 32.929 0.148 . . . . . A 98 VAL CB . 25294 1 1051 . 1 1 98 98 VAL CG1 C 13 18.301 0.148 . . . . . A 98 VAL CG1 . 25294 1 1052 . 1 1 98 98 VAL CG2 C 13 20.178 0.148 . . . . . A 98 VAL CG2 . 25294 1 1053 . 1 1 98 98 VAL N N 15 125.442 0.125 . . . . . A 98 VAL N . 25294 1 1054 . 1 1 99 99 CYS H H 1 8.883 0.025 . . . . . A 99 CYS H . 25294 1 1055 . 1 1 99 99 CYS HA H 1 5.346 0.025 . . . . . A 99 CYS HA . 25294 1 1056 . 1 1 99 99 CYS HB2 H 1 3.001 0.025 . . . . . A 99 CYS HB2 . 25294 1 1057 . 1 1 99 99 CYS HB3 H 1 2.852 0.025 . . . . . A 99 CYS HB3 . 25294 1 1058 . 1 1 99 99 CYS CA C 13 53.951 0.148 . . . . . A 99 CYS CA . 25294 1 1059 . 1 1 99 99 CYS CB C 13 25.942 0.148 . . . . . A 99 CYS CB . 25294 1 1060 . 1 1 99 99 CYS N N 15 127.111 0.125 . . . . . A 99 CYS N . 25294 1 1061 . 1 1 100 100 VAL H H 1 8.995 0.025 . . . . . A 100 VAL H . 25294 1 1062 . 1 1 100 100 VAL HA H 1 5.383 0.025 . . . . . A 100 VAL HA . 25294 1 1063 . 1 1 100 100 VAL HB H 1 2.093 0.025 . . . . . A 100 VAL HB . 25294 1 1064 . 1 1 100 100 VAL HG11 H 1 0.884 0.025 . . . . . A 100 VAL HG11 . 25294 1 1065 . 1 1 100 100 VAL HG12 H 1 0.884 0.025 . . . . . A 100 VAL HG12 . 25294 1 1066 . 1 1 100 100 VAL HG13 H 1 0.884 0.025 . . . . . A 100 VAL HG13 . 25294 1 1067 . 1 1 100 100 VAL HG21 H 1 0.660 0.025 . . . . . A 100 VAL HG21 . 25294 1 1068 . 1 1 100 100 VAL HG22 H 1 0.660 0.025 . . . . . A 100 VAL HG22 . 25294 1 1069 . 1 1 100 100 VAL HG23 H 1 0.660 0.025 . . . . . A 100 VAL HG23 . 25294 1 1070 . 1 1 100 100 VAL CA C 13 55.713 0.148 . . . . . A 100 VAL CA . 25294 1 1071 . 1 1 100 100 VAL CB C 13 32.643 0.148 . . . . . A 100 VAL CB . 25294 1 1072 . 1 1 100 100 VAL CG1 C 13 20.089 0.148 . . . . . A 100 VAL CG1 . 25294 1 1073 . 1 1 100 100 VAL CG2 C 13 15.447 0.148 . . . . . A 100 VAL CG2 . 25294 1 1074 . 1 1 100 100 VAL N N 15 120.146 0.125 . . . . . A 100 VAL N . 25294 1 1075 . 1 1 101 101 GLU H H 1 8.714 0.025 . . . . . A 101 GLU H . 25294 1 1076 . 1 1 101 101 GLU HA H 1 4.752 0.025 . . . . . A 101 GLU HA . 25294 1 1077 . 1 1 101 101 GLU HB2 H 1 1.523 0.025 . . . . . A 101 GLU HB2 . 25294 1 1078 . 1 1 101 101 GLU HB3 H 1 1.259 0.025 . . . . . A 101 GLU HB3 . 25294 1 1079 . 1 1 101 101 GLU CA C 13 51.435 0.148 . . . . . A 101 GLU CA . 25294 1 1080 . 1 1 101 101 GLU CB C 13 31.721 0.148 . . . . . A 101 GLU CB . 25294 1 1081 . 1 1 101 101 GLU N N 15 118.807 0.125 . . . . . A 101 GLU N . 25294 1 1082 . 1 1 102 102 ALA H H 1 7.893 0.025 . . . . . A 102 ALA H . 25294 1 1083 . 1 1 102 102 ALA HA H 1 3.857 0.025 . . . . . A 102 ALA HA . 25294 1 1084 . 1 1 102 102 ALA HB1 H 1 0.492 0.025 . . . . . A 102 ALA HB1 . 25294 1 1085 . 1 1 102 102 ALA HB2 H 1 0.492 0.025 . . . . . A 102 ALA HB2 . 25294 1 1086 . 1 1 102 102 ALA HB3 H 1 0.492 0.025 . . . . . A 102 ALA HB3 . 25294 1 1087 . 1 1 102 102 ALA CA C 13 47.878 0.148 . . . . . A 102 ALA CA . 25294 1 1088 . 1 1 102 102 ALA CB C 13 18.025 0.148 . . . . . A 102 ALA CB . 25294 1 1089 . 1 1 102 102 ALA N N 15 124.088 0.125 . . . . . A 102 ALA N . 25294 1 1090 . 1 1 103 103 GLY H H 1 7.713 0.025 . . . . . A 103 GLY H . 25294 1 1091 . 1 1 103 103 GLY HA3 H 1 3.611 0.025 . . . . . A 103 GLY HA3 . 25294 1 1092 . 1 1 103 103 GLY CA C 13 44.643 0.148 . . . . . A 103 GLY CA . 25294 1 1093 . 1 1 103 103 GLY N N 15 111.186 0.125 . . . . . A 103 GLY N . 25294 1 1094 . 1 1 104 104 ASN H H 1 8.604 0.025 . . . . . A 104 ASN H . 25294 1 1095 . 1 1 104 104 ASN HA H 1 4.672 0.025 . . . . . A 104 ASN HA . 25294 1 1096 . 1 1 104 104 ASN HB2 H 1 2.937 0.025 . . . . . A 104 ASN HB2 . 25294 1 1097 . 1 1 104 104 ASN HB3 H 1 2.631 0.025 . . . . . A 104 ASN HB3 . 25294 1 1098 . 1 1 104 104 ASN HD21 H 1 6.918 0.025 . . . . . A 104 ASN HD21 . 25294 1 1099 . 1 1 104 104 ASN HD22 H 1 7.556 0.025 . . . . . A 104 ASN HD22 . 25294 1 1100 . 1 1 104 104 ASN CA C 13 50.696 0.148 . . . . . A 104 ASN CA . 25294 1 1101 . 1 1 104 104 ASN CB C 13 36.407 0.148 . . . . . A 104 ASN CB . 25294 1 1102 . 1 1 104 104 ASN N N 15 123.092 0.125 . . . . . A 104 ASN N . 25294 1 1103 . 1 1 104 104 ASN ND2 N 15 112.693 0.125 . . . . . A 104 ASN ND2 . 25294 1 1104 . 1 1 105 105 ALA H H 1 7.725 0.025 . . . . . A 105 ALA H . 25294 1 1105 . 1 1 105 105 ALA HA H 1 4.431 0.025 . . . . . A 105 ALA HA . 25294 1 1106 . 1 1 105 105 ALA HB1 H 1 1.086 0.025 . . . . . A 105 ALA HB1 . 25294 1 1107 . 1 1 105 105 ALA HB2 H 1 1.086 0.025 . . . . . A 105 ALA HB2 . 25294 1 1108 . 1 1 105 105 ALA HB3 H 1 1.086 0.025 . . . . . A 105 ALA HB3 . 25294 1 1109 . 1 1 105 105 ALA CA C 13 48.668 0.148 . . . . . A 105 ALA CA . 25294 1 1110 . 1 1 105 105 ALA CB C 13 18.936 0.148 . . . . . A 105 ALA CB . 25294 1 1111 . 1 1 105 105 ALA N N 15 122.653 0.125 . . . . . A 105 ALA N . 25294 1 1112 . 1 1 106 106 PHE H H 1 7.830 0.025 . . . . . A 106 PHE H . 25294 1 1113 . 1 1 106 106 PHE HA H 1 5.417 0.025 . . . . . A 106 PHE HA . 25294 1 1114 . 1 1 106 106 PHE HB2 H 1 2.879 0.025 . . . . . A 106 PHE HB2 . 25294 1 1115 . 1 1 106 106 PHE HB3 H 1 2.879 0.025 . . . . . A 106 PHE HB3 . 25294 1 1116 . 1 1 106 106 PHE HD1 H 1 6.970 0.025 . . . . . A 106 PHE HD1 . 25294 1 1117 . 1 1 106 106 PHE HD2 H 1 6.970 0.025 . . . . . A 106 PHE HD2 . 25294 1 1118 . 1 1 106 106 PHE HE1 H 1 7.156 0.025 . . . . . A 106 PHE HE1 . 25294 1 1119 . 1 1 106 106 PHE HE2 H 1 7.156 0.025 . . . . . A 106 PHE HE2 . 25294 1 1120 . 1 1 106 106 PHE CA C 13 53.558 0.148 . . . . . A 106 PHE CA . 25294 1 1121 . 1 1 106 106 PHE CB C 13 40.484 0.148 . . . . . A 106 PHE CB . 25294 1 1122 . 1 1 106 106 PHE CD1 C 13 129.272 0.148 . . . . . A 106 PHE CD1 . 25294 1 1123 . 1 1 106 106 PHE CD2 C 13 129.270 0.148 . . . . . A 106 PHE CD2 . 25294 1 1124 . 1 1 106 106 PHE CE1 C 13 126.706 0.148 . . . . . A 106 PHE CE1 . 25294 1 1125 . 1 1 106 106 PHE CE2 C 13 126.710 0.148 . . . . . A 106 PHE CE2 . 25294 1 1126 . 1 1 106 106 PHE N N 15 116.011 0.125 . . . . . A 106 PHE N . 25294 1 1127 . 1 1 107 107 ASP H H 1 8.972 0.025 . . . . . A 107 ASP H . 25294 1 1128 . 1 1 107 107 ASP HA H 1 4.594 0.025 . . . . . A 107 ASP HA . 25294 1 1129 . 1 1 107 107 ASP HB2 H 1 2.626 0.025 . . . . . A 107 ASP HB2 . 25294 1 1130 . 1 1 107 107 ASP HB3 H 1 2.135 0.025 . . . . . A 107 ASP HB3 . 25294 1 1131 . 1 1 107 107 ASP CA C 13 50.524 0.148 . . . . . A 107 ASP CA . 25294 1 1132 . 1 1 107 107 ASP CB C 13 43.091 0.148 . . . . . A 107 ASP CB . 25294 1 1133 . 1 1 107 107 ASP N N 15 121.992 0.125 . . . . . A 107 ASP N . 25294 1 1134 . 1 1 108 108 GLU H H 1 8.149 0.025 . . . . . A 108 GLU H . 25294 1 1135 . 1 1 108 108 GLU HA H 1 5.009 0.025 . . . . . A 108 GLU HA . 25294 1 1136 . 1 1 108 108 GLU HB2 H 1 1.673 0.025 . . . . . A 108 GLU HB2 . 25294 1 1137 . 1 1 108 108 GLU HB3 H 1 1.673 0.025 . . . . . A 108 GLU HB3 . 25294 1 1138 . 1 1 108 108 GLU HG2 H 1 1.908 0.025 . . . . . A 108 GLU HG2 . 25294 1 1139 . 1 1 108 108 GLU HG3 H 1 1.766 0.025 . . . . . A 108 GLU HG3 . 25294 1 1140 . 1 1 108 108 GLU CA C 13 51.988 0.148 . . . . . A 108 GLU CA . 25294 1 1141 . 1 1 108 108 GLU CB C 13 31.317 0.148 . . . . . A 108 GLU CB . 25294 1 1142 . 1 1 108 108 GLU CG C 13 34.127 0.148 . . . . . A 108 GLU CG . 25294 1 1143 . 1 1 108 108 GLU N N 15 119.354 0.125 . . . . . A 108 GLU N . 25294 1 1144 . 1 1 109 109 PHE H H 1 8.456 0.025 . . . . . A 109 PHE H . 25294 1 1145 . 1 1 109 109 PHE HA H 1 4.958 0.025 . . . . . A 109 PHE HA . 25294 1 1146 . 1 1 109 109 PHE HB2 H 1 2.223 0.025 . . . . . A 109 PHE HB2 . 25294 1 1147 . 1 1 109 109 PHE HB3 H 1 2.069 0.025 . . . . . A 109 PHE HB3 . 25294 1 1148 . 1 1 109 109 PHE HD1 H 1 6.297 0.025 . . . . . A 109 PHE HD1 . 25294 1 1149 . 1 1 109 109 PHE HD2 H 1 6.297 0.025 . . . . . A 109 PHE HD2 . 25294 1 1150 . 1 1 109 109 PHE HE1 H 1 6.200 0.025 . . . . . A 109 PHE HE1 . 25294 1 1151 . 1 1 109 109 PHE HE2 H 1 6.200 0.025 . . . . . A 109 PHE HE2 . 25294 1 1152 . 1 1 109 109 PHE HZ H 1 5.321 0.025 . . . . . A 109 PHE HZ . 25294 1 1153 . 1 1 109 109 PHE CA C 13 52.787 0.148 . . . . . A 109 PHE CA . 25294 1 1154 . 1 1 109 109 PHE CB C 13 40.443 0.148 . . . . . A 109 PHE CB . 25294 1 1155 . 1 1 109 109 PHE CD1 C 13 127.504 0.148 . . . . . A 109 PHE CD1 . 25294 1 1156 . 1 1 109 109 PHE CD2 C 13 127.500 0.148 . . . . . A 109 PHE CD2 . 25294 1 1157 . 1 1 109 109 PHE CE1 C 13 127.362 0.148 . . . . . A 109 PHE CE1 . 25294 1 1158 . 1 1 109 109 PHE CE2 C 13 127.360 0.148 . . . . . A 109 PHE CE2 . 25294 1 1159 . 1 1 109 109 PHE CZ C 13 125.684 0.148 . . . . . A 109 PHE CZ . 25294 1 1160 . 1 1 109 109 PHE N N 15 122.098 0.125 . . . . . A 109 PHE N . 25294 1 1161 . 1 1 110 110 LYS H H 1 8.416 0.025 . . . . . A 110 LYS H . 25294 1 1162 . 1 1 110 110 LYS HA H 1 4.692 0.025 . . . . . A 110 LYS HA . 25294 1 1163 . 1 1 110 110 LYS HB2 H 1 1.452 0.025 . . . . . A 110 LYS HB2 . 25294 1 1164 . 1 1 110 110 LYS HB3 H 1 1.452 0.025 . . . . . A 110 LYS HB3 . 25294 1 1165 . 1 1 110 110 LYS HG2 H 1 0.848 0.025 . . . . . A 110 LYS HG2 . 25294 1 1166 . 1 1 110 110 LYS HG3 H 1 1.109 0.025 . . . . . A 110 LYS HG3 . 25294 1 1167 . 1 1 110 110 LYS HD2 H 1 1.374 0.025 . . . . . A 110 LYS HD2 . 25294 1 1168 . 1 1 110 110 LYS HD3 H 1 1.374 0.025 . . . . . A 110 LYS HD3 . 25294 1 1169 . 1 1 110 110 LYS HE2 H 1 2.650 0.025 . . . . . A 110 LYS HE2 . 25294 1 1170 . 1 1 110 110 LYS HE3 H 1 2.584 0.025 . . . . . A 110 LYS HE3 . 25294 1 1171 . 1 1 110 110 LYS CA C 13 51.891 0.148 . . . . . A 110 LYS CA . 25294 1 1172 . 1 1 110 110 LYS CB C 13 33.012 0.148 . . . . . A 110 LYS CB . 25294 1 1173 . 1 1 110 110 LYS CG C 13 22.543 0.148 . . . . . A 110 LYS CG . 25294 1 1174 . 1 1 110 110 LYS CD C 13 26.976 0.148 . . . . . A 110 LYS CD . 25294 1 1175 . 1 1 110 110 LYS CE C 13 39.487 0.148 . . . . . A 110 LYS CE . 25294 1 1176 . 1 1 110 110 LYS N N 15 124.500 0.125 . . . . . A 110 LYS N . 25294 1 1177 . 1 1 111 111 PHE H H 1 8.586 0.025 . . . . . A 111 PHE H . 25294 1 1178 . 1 1 111 111 PHE HA H 1 4.754 0.025 . . . . . A 111 PHE HA . 25294 1 1179 . 1 1 111 111 PHE HB2 H 1 2.148 0.025 . . . . . A 111 PHE HB2 . 25294 1 1180 . 1 1 111 111 PHE HB3 H 1 1.723 0.025 . . . . . A 111 PHE HB3 . 25294 1 1181 . 1 1 111 111 PHE HD1 H 1 6.489 0.025 . . . . . A 111 PHE HD1 . 25294 1 1182 . 1 1 111 111 PHE HD2 H 1 6.489 0.025 . . . . . A 111 PHE HD2 . 25294 1 1183 . 1 1 111 111 PHE HE1 H 1 6.928 0.025 . . . . . A 111 PHE HE1 . 25294 1 1184 . 1 1 111 111 PHE HE2 H 1 6.928 0.025 . . . . . A 111 PHE HE2 . 25294 1 1185 . 1 1 111 111 PHE CA C 13 58.184 0.148 . . . . . A 111 PHE CA . 25294 1 1186 . 1 1 111 111 PHE CB C 13 38.380 0.148 . . . . . A 111 PHE CB . 25294 1 1187 . 1 1 111 111 PHE CD1 C 13 130.408 0.148 . . . . . A 111 PHE CD1 . 25294 1 1188 . 1 1 111 111 PHE CD2 C 13 130.410 0.148 . . . . . A 111 PHE CD2 . 25294 1 1189 . 1 1 111 111 PHE CE1 C 13 126.443 0.148 . . . . . A 111 PHE CE1 . 25294 1 1190 . 1 1 111 111 PHE CE2 C 13 126.440 0.148 . . . . . A 111 PHE CE2 . 25294 1 1191 . 1 1 111 111 PHE N N 15 125.010 0.125 . . . . . A 111 PHE N . 25294 1 1192 . 1 1 112 112 VAL H H 1 8.609 0.025 . . . . . A 112 VAL H . 25294 1 1193 . 1 1 112 112 VAL HA H 1 4.440 0.025 . . . . . A 112 VAL HA . 25294 1 1194 . 1 1 112 112 VAL HB H 1 1.866 0.025 . . . . . A 112 VAL HB . 25294 1 1195 . 1 1 112 112 VAL HG11 H 1 0.768 0.025 . . . . . A 112 VAL HG11 . 25294 1 1196 . 1 1 112 112 VAL HG12 H 1 0.768 0.025 . . . . . A 112 VAL HG12 . 25294 1 1197 . 1 1 112 112 VAL HG13 H 1 0.768 0.025 . . . . . A 112 VAL HG13 . 25294 1 1198 . 1 1 112 112 VAL HG21 H 1 0.714 0.025 . . . . . A 112 VAL HG21 . 25294 1 1199 . 1 1 112 112 VAL HG22 H 1 0.714 0.025 . . . . . A 112 VAL HG22 . 25294 1 1200 . 1 1 112 112 VAL HG23 H 1 0.714 0.025 . . . . . A 112 VAL HG23 . 25294 1 1201 . 1 1 112 112 VAL CA C 13 58.256 0.148 . . . . . A 112 VAL CA . 25294 1 1202 . 1 1 112 112 VAL CB C 13 31.093 0.148 . . . . . A 112 VAL CB . 25294 1 1203 . 1 1 112 112 VAL CG1 C 13 18.048 0.148 . . . . . A 112 VAL CG1 . 25294 1 1204 . 1 1 112 112 VAL CG2 C 13 17.946 0.148 . . . . . A 112 VAL CG2 . 25294 1 1205 . 1 1 112 112 VAL N N 15 122.957 0.125 . . . . . A 112 VAL N . 25294 1 1206 . 1 1 113 113 GLN H H 1 9.934 0.025 . . . . . A 113 GLN H . 25294 1 1207 . 1 1 113 113 GLN HA H 1 5.319 0.025 . . . . . A 113 GLN HA . 25294 1 1208 . 1 1 113 113 GLN HB2 H 1 2.163 0.025 . . . . . A 113 GLN HB2 . 25294 1 1209 . 1 1 113 113 GLN HB3 H 1 1.398 0.025 . . . . . A 113 GLN HB3 . 25294 1 1210 . 1 1 113 113 GLN HG2 H 1 2.173 0.025 . . . . . A 113 GLN HG2 . 25294 1 1211 . 1 1 113 113 GLN HG3 H 1 2.687 0.025 . . . . . A 113 GLN HG3 . 25294 1 1212 . 1 1 113 113 GLN HE21 H 1 7.644 0.025 . . . . . A 113 GLN HE21 . 25294 1 1213 . 1 1 113 113 GLN HE22 H 1 7.141 0.025 . . . . . A 113 GLN HE22 . 25294 1 1214 . 1 1 113 113 GLN CA C 13 51.119 0.148 . . . . . A 113 GLN CA . 25294 1 1215 . 1 1 113 113 GLN CB C 13 28.164 0.148 . . . . . A 113 GLN CB . 25294 1 1216 . 1 1 113 113 GLN CG C 13 31.568 0.148 . . . . . A 113 GLN CG . 25294 1 1217 . 1 1 113 113 GLN N N 15 130.864 0.125 . . . . . A 113 GLN N . 25294 1 1218 . 1 1 113 113 GLN NE2 N 15 112.021 0.125 . . . . . A 113 GLN NE2 . 25294 1 1219 . 1 1 114 114 ASP H H 1 8.107 0.025 . . . . . A 114 ASP H . 25294 1 1220 . 1 1 114 114 ASP HA H 1 4.327 0.025 . . . . . A 114 ASP HA . 25294 1 1221 . 1 1 114 114 ASP HB2 H 1 2.828 0.025 . . . . . A 114 ASP HB2 . 25294 1 1222 . 1 1 114 114 ASP HB3 H 1 2.451 0.025 . . . . . A 114 ASP HB3 . 25294 1 1223 . 1 1 114 114 ASP CA C 13 51.773 0.148 . . . . . A 114 ASP CA . 25294 1 1224 . 1 1 114 114 ASP CB C 13 39.855 0.148 . . . . . A 114 ASP CB . 25294 1 1225 . 1 1 114 114 ASP N N 15 126.272 0.125 . . . . . A 114 ASP N . 25294 1 1226 . 1 1 115 115 ALA H H 1 7.955 0.025 . . . . . A 115 ALA H . 25294 1 1227 . 1 1 115 115 ALA HA H 1 3.699 0.025 . . . . . A 115 ALA HA . 25294 1 1228 . 1 1 115 115 ALA HB1 H 1 0.969 0.025 . . . . . A 115 ALA HB1 . 25294 1 1229 . 1 1 115 115 ALA HB2 H 1 0.969 0.025 . . . . . A 115 ALA HB2 . 25294 1 1230 . 1 1 115 115 ALA HB3 H 1 0.969 0.025 . . . . . A 115 ALA HB3 . 25294 1 1231 . 1 1 115 115 ALA CA C 13 48.901 0.148 . . . . . A 115 ALA CA . 25294 1 1232 . 1 1 115 115 ALA CB C 13 17.751 0.148 . . . . . A 115 ALA CB . 25294 1 1233 . 1 1 115 115 ALA N N 15 120.134 0.125 . . . . . A 115 ALA N . 25294 1 1234 . 1 1 116 116 ALA H H 1 8.005 0.025 . . . . . A 116 ALA H . 25294 1 1235 . 1 1 116 116 ALA HA H 1 3.953 0.025 . . . . . A 116 ALA HA . 25294 1 1236 . 1 1 116 116 ALA HB1 H 1 1.122 0.025 . . . . . A 116 ALA HB1 . 25294 1 1237 . 1 1 116 116 ALA HB2 H 1 1.122 0.025 . . . . . A 116 ALA HB2 . 25294 1 1238 . 1 1 116 116 ALA HB3 H 1 1.122 0.025 . . . . . A 116 ALA HB3 . 25294 1 1239 . 1 1 116 116 ALA CA C 13 49.988 0.148 . . . . . A 116 ALA CA . 25294 1 1240 . 1 1 116 116 ALA CB C 13 16.200 0.148 . . . . . A 116 ALA CB . 25294 1 1241 . 1 1 116 116 ALA N N 15 121.377 0.125 . . . . . A 116 ALA N . 25294 1 1242 . 1 1 117 117 LYS H H 1 8.226 0.025 . . . . . A 117 LYS H . 25294 1 1243 . 1 1 117 117 LYS HA H 1 4.139 0.025 . . . . . A 117 LYS HA . 25294 1 1244 . 1 1 117 117 LYS HB2 H 1 1.655 0.025 . . . . . A 117 LYS HB2 . 25294 1 1245 . 1 1 117 117 LYS HB3 H 1 1.748 0.025 . . . . . A 117 LYS HB3 . 25294 1 1246 . 1 1 117 117 LYS HG2 H 1 1.376 0.025 . . . . . A 117 LYS HG2 . 25294 1 1247 . 1 1 117 117 LYS HG3 H 1 1.376 0.025 . . . . . A 117 LYS HG3 . 25294 1 1248 . 1 1 117 117 LYS HD2 H 1 1.624 0.025 . . . . . A 117 LYS HD2 . 25294 1 1249 . 1 1 117 117 LYS HD3 H 1 1.624 0.025 . . . . . A 117 LYS HD3 . 25294 1 1250 . 1 1 117 117 LYS HE2 H 1 2.951 0.025 . . . . . A 117 LYS HE2 . 25294 1 1251 . 1 1 117 117 LYS HE3 H 1 2.951 0.025 . . . . . A 117 LYS HE3 . 25294 1 1252 . 1 1 117 117 LYS CA C 13 53.646 0.148 . . . . . A 117 LYS CA . 25294 1 1253 . 1 1 117 117 LYS CB C 13 30.579 0.148 . . . . . A 117 LYS CB . 25294 1 1254 . 1 1 117 117 LYS CG C 13 22.155 0.148 . . . . . A 117 LYS CG . 25294 1 1255 . 1 1 117 117 LYS CD C 13 26.566 0.148 . . . . . A 117 LYS CD . 25294 1 1256 . 1 1 117 117 LYS CE C 13 39.649 0.148 . . . . . A 117 LYS CE . 25294 1 1257 . 1 1 117 117 LYS N N 15 121.536 0.125 . . . . . A 117 LYS N . 25294 1 1258 . 1 1 118 118 GLN H H 1 7.965 0.025 . . . . . A 118 GLN H . 25294 1 1259 . 1 1 118 118 GLN HA H 1 4.060 0.025 . . . . . A 118 GLN HA . 25294 1 1260 . 1 1 118 118 GLN HB2 H 1 1.808 0.025 . . . . . A 118 GLN HB2 . 25294 1 1261 . 1 1 118 118 GLN HB3 H 1 2.017 0.025 . . . . . A 118 GLN HB3 . 25294 1 1262 . 1 1 118 118 GLN HG2 H 1 2.189 0.025 . . . . . A 118 GLN HG2 . 25294 1 1263 . 1 1 118 118 GLN HG3 H 1 2.189 0.025 . . . . . A 118 GLN HG3 . 25294 1 1264 . 1 1 118 118 GLN HE21 H 1 7.392 0.025 . . . . . A 118 GLN HE21 . 25294 1 1265 . 1 1 118 118 GLN HE22 H 1 6.744 0.025 . . . . . A 118 GLN HE22 . 25294 1 1266 . 1 1 118 118 GLN CA C 13 54.441 0.148 . . . . . A 118 GLN CA . 25294 1 1267 . 1 1 118 118 GLN CB C 13 27.998 0.148 . . . . . A 118 GLN CB . 25294 1 1268 . 1 1 118 118 GLN CG C 13 31.743 0.148 . . . . . A 118 GLN CG . 25294 1 1269 . 1 1 118 118 GLN N N 15 127.105 0.125 . . . . . A 118 GLN N . 25294 1 1270 . 1 1 118 118 GLN NE2 N 15 112.522 0.125 . . . . . A 118 GLN NE2 . 25294 1 stop_ save_