data_15312 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15312 _Entry.Title ; Solution structure of NusB from Aquifex Aeolicus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-06-18 _Entry.Accession_date 2007-06-18 _Entry.Last_release_date 2007-06-18 _Entry.Original_release_date 2007-06-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.0.8.100 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Ranabir Das . . . . 15312 2 Sandra Loss . . . . 15312 3 Jess Li . . . . 15312 4 Sergey Tarasov . . . . 15312 5 Paul Wingfield . . . . 15312 6 David Waugh . S. . . 15312 7 Robert Byrd . A. . . 15312 8 Amanda Altieri . S. . . 15312 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 15312 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Antiterminator . 15312 'Aquifex Aeolicus' . 15312 NusB . 15312 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15312 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 656 15312 '15N chemical shifts' 143 15312 '1H chemical shifts' 1030 15312 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 . . 2008-02-28 . original BMRB . 15312 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2JR0 'BMRB Entry Tracking System' 15312 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15312 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18177898 _Citation.Full_citation . _Citation.Title ; Structural biophysics of the NusB:NusE antitermination complex ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 376 _Citation.Journal_issue 3 _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 705 _Citation.Page_last 720 _Citation.Year 2008 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Ranabir Das . . . . 15312 1 2 Sandra Loss . . . . 15312 1 3 Jess Li . . . . 15312 1 4 David Waugh . S. . . 15312 1 5 Sergey Tarasov . . . . 15312 1 6 Paul Wingfield . . . . 15312 1 7 Robert Byrd . A. . . 15312 1 8 Amanda Altieri . S. . . 15312 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Antitermination 15312 1 NusB 15312 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15312 _Assembly.ID 1 _Assembly.Name 'Aquifex NusB monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 17000 _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 'Aquifex NusB monomer' 1 $NusB A . yes native no no . . . 15312 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID Antitermination 15312 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NusB _Entity.Sf_category entity _Entity.Sf_framecode NusB _Entity.Entry_ID 15312 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NusB _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 ; MRYRKGARDTAFLVLYRWDL RGENPGELFKEVVEEKNIKN KDAYEYAKKLVDTAVRHIEE IDSIIEKHLKGWSIDRLGYV ERNALRLGVAELIFLKSKEP GRVFIDIVDLVKKYADEKAG KFVNGVLSAIYKAYITSSKE EKPSLKSE ; _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 148 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 15312 1 2 . ARG . 15312 1 3 . TYR . 15312 1 4 . ARG . 15312 1 5 . LYS . 15312 1 6 . GLY . 15312 1 7 . ALA . 15312 1 8 . ARG . 15312 1 9 . ASP . 15312 1 10 . THR . 15312 1 11 . ALA . 15312 1 12 . PHE . 15312 1 13 . LEU . 15312 1 14 . VAL . 15312 1 15 . LEU . 15312 1 16 . TYR . 15312 1 17 . ARG . 15312 1 18 . TRP . 15312 1 19 . ASP . 15312 1 20 . LEU . 15312 1 21 . ARG . 15312 1 22 . GLY . 15312 1 23 . GLU . 15312 1 24 . ASN . 15312 1 25 . PRO . 15312 1 26 . GLY . 15312 1 27 . GLU . 15312 1 28 . LEU . 15312 1 29 . PHE . 15312 1 30 . LYS . 15312 1 31 . GLU . 15312 1 32 . VAL . 15312 1 33 . VAL . 15312 1 34 . GLU . 15312 1 35 . GLU . 15312 1 36 . LYS . 15312 1 37 . ASN . 15312 1 38 . ILE . 15312 1 39 . LYS . 15312 1 40 . ASN . 15312 1 41 . LYS . 15312 1 42 . ASP . 15312 1 43 . ALA . 15312 1 44 . TYR . 15312 1 45 . GLU . 15312 1 46 . TYR . 15312 1 47 . ALA . 15312 1 48 . LYS . 15312 1 49 . LYS . 15312 1 50 . LEU . 15312 1 51 . VAL . 15312 1 52 . ASP . 15312 1 53 . THR . 15312 1 54 . ALA . 15312 1 55 . VAL . 15312 1 56 . ARG . 15312 1 57 . HIS . 15312 1 58 . ILE . 15312 1 59 . GLU . 15312 1 60 . GLU . 15312 1 61 . ILE . 15312 1 62 . ASP . 15312 1 63 . SER . 15312 1 64 . ILE . 15312 1 65 . ILE . 15312 1 66 . GLU . 15312 1 67 . LYS . 15312 1 68 . HIS . 15312 1 69 . LEU . 15312 1 70 . LYS . 15312 1 71 . GLY . 15312 1 72 . TRP . 15312 1 73 . SER . 15312 1 74 . ILE . 15312 1 75 . ASP . 15312 1 76 . ARG . 15312 1 77 . LEU . 15312 1 78 . GLY . 15312 1 79 . TYR . 15312 1 80 . VAL . 15312 1 81 . GLU . 15312 1 82 . ARG . 15312 1 83 . ASN . 15312 1 84 . ALA . 15312 1 85 . LEU . 15312 1 86 . ARG . 15312 1 87 . LEU . 15312 1 88 . GLY . 15312 1 89 . VAL . 15312 1 90 . ALA . 15312 1 91 . GLU . 15312 1 92 . LEU . 15312 1 93 . ILE . 15312 1 94 . PHE . 15312 1 95 . LEU . 15312 1 96 . LYS . 15312 1 97 . SER . 15312 1 98 . LYS . 15312 1 99 . GLU . 15312 1 100 . PRO . 15312 1 101 . GLY . 15312 1 102 . ARG . 15312 1 103 . VAL . 15312 1 104 . PHE . 15312 1 105 . ILE . 15312 1 106 . ASP . 15312 1 107 . ILE . 15312 1 108 . VAL . 15312 1 109 . ASP . 15312 1 110 . LEU . 15312 1 111 . VAL . 15312 1 112 . LYS . 15312 1 113 . LYS . 15312 1 114 . TYR . 15312 1 115 . ALA . 15312 1 116 . ASP . 15312 1 117 . GLU . 15312 1 118 . LYS . 15312 1 119 . ALA . 15312 1 120 . GLY . 15312 1 121 . LYS . 15312 1 122 . PHE . 15312 1 123 . VAL . 15312 1 124 . ASN . 15312 1 125 . GLY . 15312 1 126 . VAL . 15312 1 127 . LEU . 15312 1 128 . SER . 15312 1 129 . ALA . 15312 1 130 . ILE . 15312 1 131 . TYR . 15312 1 132 . LYS . 15312 1 133 . ALA . 15312 1 134 . TYR . 15312 1 135 . ILE . 15312 1 136 . THR . 15312 1 137 . SER . 15312 1 138 . SER . 15312 1 139 . LYS . 15312 1 140 . GLU . 15312 1 141 . GLU . 15312 1 142 . LYS . 15312 1 143 . PRO . 15312 1 144 . SER . 15312 1 145 . LEU . 15312 1 146 . LYS . 15312 1 147 . SER . 15312 1 148 . GLU . 15312 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 15312 1 . ARG 2 2 15312 1 . TYR 3 3 15312 1 . ARG 4 4 15312 1 . LYS 5 5 15312 1 . GLY 6 6 15312 1 . ALA 7 7 15312 1 . ARG 8 8 15312 1 . ASP 9 9 15312 1 . THR 10 10 15312 1 . ALA 11 11 15312 1 . PHE 12 12 15312 1 . LEU 13 13 15312 1 . VAL 14 14 15312 1 . LEU 15 15 15312 1 . TYR 16 16 15312 1 . ARG 17 17 15312 1 . TRP 18 18 15312 1 . ASP 19 19 15312 1 . LEU 20 20 15312 1 . ARG 21 21 15312 1 . GLY 22 22 15312 1 . GLU 23 23 15312 1 . ASN 24 24 15312 1 . PRO 25 25 15312 1 . GLY 26 26 15312 1 . GLU 27 27 15312 1 . LEU 28 28 15312 1 . PHE 29 29 15312 1 . LYS 30 30 15312 1 . GLU 31 31 15312 1 . VAL 32 32 15312 1 . VAL 33 33 15312 1 . GLU 34 34 15312 1 . GLU 35 35 15312 1 . LYS 36 36 15312 1 . ASN 37 37 15312 1 . ILE 38 38 15312 1 . LYS 39 39 15312 1 . ASN 40 40 15312 1 . LYS 41 41 15312 1 . ASP 42 42 15312 1 . ALA 43 43 15312 1 . TYR 44 44 15312 1 . GLU 45 45 15312 1 . TYR 46 46 15312 1 . ALA 47 47 15312 1 . LYS 48 48 15312 1 . LYS 49 49 15312 1 . LEU 50 50 15312 1 . VAL 51 51 15312 1 . ASP 52 52 15312 1 . THR 53 53 15312 1 . ALA 54 54 15312 1 . VAL 55 55 15312 1 . ARG 56 56 15312 1 . HIS 57 57 15312 1 . ILE 58 58 15312 1 . GLU 59 59 15312 1 . GLU 60 60 15312 1 . ILE 61 61 15312 1 . ASP 62 62 15312 1 . SER 63 63 15312 1 . ILE 64 64 15312 1 . ILE 65 65 15312 1 . GLU 66 66 15312 1 . LYS 67 67 15312 1 . HIS 68 68 15312 1 . LEU 69 69 15312 1 . LYS 70 70 15312 1 . GLY 71 71 15312 1 . TRP 72 72 15312 1 . SER 73 73 15312 1 . ILE 74 74 15312 1 . ASP 75 75 15312 1 . ARG 76 76 15312 1 . LEU 77 77 15312 1 . GLY 78 78 15312 1 . TYR 79 79 15312 1 . VAL 80 80 15312 1 . GLU 81 81 15312 1 . ARG 82 82 15312 1 . ASN 83 83 15312 1 . ALA 84 84 15312 1 . LEU 85 85 15312 1 . ARG 86 86 15312 1 . LEU 87 87 15312 1 . GLY 88 88 15312 1 . VAL 89 89 15312 1 . ALA 90 90 15312 1 . GLU 91 91 15312 1 . LEU 92 92 15312 1 . ILE 93 93 15312 1 . PHE 94 94 15312 1 . LEU 95 95 15312 1 . LYS 96 96 15312 1 . SER 97 97 15312 1 . LYS 98 98 15312 1 . GLU 99 99 15312 1 . PRO 100 100 15312 1 . GLY 101 101 15312 1 . ARG 102 102 15312 1 . VAL 103 103 15312 1 . PHE 104 104 15312 1 . ILE 105 105 15312 1 . ASP 106 106 15312 1 . ILE 107 107 15312 1 . VAL 108 108 15312 1 . ASP 109 109 15312 1 . LEU 110 110 15312 1 . VAL 111 111 15312 1 . LYS 112 112 15312 1 . LYS 113 113 15312 1 . TYR 114 114 15312 1 . ALA 115 115 15312 1 . ASP 116 116 15312 1 . GLU 117 117 15312 1 . LYS 118 118 15312 1 . ALA 119 119 15312 1 . GLY 120 120 15312 1 . LYS 121 121 15312 1 . PHE 122 122 15312 1 . VAL 123 123 15312 1 . ASN 124 124 15312 1 . GLY 125 125 15312 1 . VAL 126 126 15312 1 . LEU 127 127 15312 1 . SER 128 128 15312 1 . ALA 129 129 15312 1 . ILE 130 130 15312 1 . TYR 131 131 15312 1 . LYS 132 132 15312 1 . ALA 133 133 15312 1 . TYR 134 134 15312 1 . ILE 135 135 15312 1 . THR 136 136 15312 1 . SER 137 137 15312 1 . SER 138 138 15312 1 . LYS 139 139 15312 1 . GLU 140 140 15312 1 . GLU 141 141 15312 1 . LYS 142 142 15312 1 . PRO 143 143 15312 1 . SER 144 144 15312 1 . LEU 145 145 15312 1 . LYS 146 146 15312 1 . SER 147 147 15312 1 . GLU 148 148 15312 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 15312 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $NusB . 63363 organism . 'Aquifex aeolicus' . . . Bacteria . Aquifex aeolicus . . . . . . . . . . . . . 15312 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 15312 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $NusB . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . peT3a . . . 15312 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15312 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.7 mM Aquifex Aeolicus NusB' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Aquifex NusB monomer' '[U-13C; U-15N]' . . 1 $NusB . . 0.7 . . mM . . . . 15312 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 15312 1 3 'potassium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . 15312 1 4 H2O 'natural abundance' . . . . . . 90 . . % . . . . 15312 1 5 D2O . . . . . . . 10 . . % . . . . 15312 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 15312 _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 pH 6.8 . pH 15312 1 pressure 1 . atm 15312 1 temperature 308.15 . K 15312 1 stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Software.Sf_category software _Software.Sf_framecode ANSIG _Software.Entry_ID 15312 _Software.ID 1 _Software.Name ANSIG _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Kraulis . . 15312 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15312 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 15312 _Software.ID 2 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 15312 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 15312 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 15312 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 15312 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 15312 3 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 15312 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15312 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 15312 _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 Varian INOVA . 600 . . . 15312 1 2 spectrometer_2 Varian INOVA . 800 . . . 15312 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 15312 _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 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 3 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 5 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 6 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 8 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 9 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 11 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 12 '4D 15N/13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 1 13 '4D 13C/13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 15312 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 15312 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 0.00 . indirect 0.251449530 . . . . . 15312 1 H 1 water protons . . . . ppm 4.677 internal direct 1.000000000 . . . . . 15312 1 N 15 water protons . . . . ppm 0.00 . indirect 0.101329118 . . . . . 15312 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 15312 _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 '3D HNCO' . . . 15312 1 2 '3D CBCA(CO)NH' . . . 15312 1 3 '2D 1H-15N HSQC' . . . 15312 1 4 '3D HNCACB' . . . 15312 1 5 '3D H(CCO)NH' . . . 15312 1 6 '2D 1H-13C HSQC' . . . 15312 1 8 '3D C(CO)NH' . . . 15312 1 9 '3D HNCA' . . . 15312 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $ANSIG . . 15312 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CE C 13 17.38 0.00 . . . . . . 1 MET CE . 15312 1 2 . 1 1 1 1 MET HE1 H 1 2.102 0.000 . . . . . . 1 MET HE . 15312 1 3 . 1 1 1 1 MET HE2 H 1 2.102 0.000 . . . . . . 1 MET HE . 15312 1 4 . 1 1 1 1 MET HE3 H 1 2.102 0.000 . . . . . . 1 MET HE . 15312 1 5 . 1 1 3 3 TYR CB C 13 38.64 0.00 . . . . . . 3 TYR CB . 15312 1 6 . 1 1 3 3 TYR HB2 H 1 3.067 0.000 . . . . . . 3 TYR HB2 . 15312 1 7 . 1 1 3 3 TYR CD1 C 13 132.93 0.00 . . . . . . 3 TYR CD . 15312 1 8 . 1 1 3 3 TYR CD2 C 13 132.93 0.00 . . . . . . 3 TYR CD . 15312 1 9 . 1 1 3 3 TYR HD1 H 1 6.938 0.000 . . . . . . 3 TYR HD . 15312 1 10 . 1 1 3 3 TYR HD2 H 1 6.938 0.000 . . . . . . 3 TYR HD . 15312 1 11 . 1 1 3 3 TYR CE1 C 13 118.89 0.00 . . . . . . 3 TYR CE . 15312 1 12 . 1 1 3 3 TYR CE2 C 13 118.89 0.00 . . . . . . 3 TYR CE . 15312 1 13 . 1 1 3 3 TYR HE1 H 1 6.708 0.000 . . . . . . 3 TYR HE . 15312 1 14 . 1 1 3 3 TYR HE2 H 1 6.708 0.000 . . . . . . 3 TYR HE . 15312 1 15 . 1 1 4 4 ARG CA C 13 59.52 0.07 . . . . . . 4 ARG CA . 15312 1 16 . 1 1 4 4 ARG HA H 1 3.813 0.000 . . . . . . 4 ARG HA . 15312 1 17 . 1 1 4 4 ARG C C 13 177.36 0.00 . . . . . . 4 ARG CO . 15312 1 18 . 1 1 4 4 ARG CB C 13 29.80 0.20 . . . . . . 4 ARG CB . 15312 1 19 . 1 1 4 4 ARG HB2 H 1 1.737 0.000 . . . . . . 4 ARG HB1 . 15312 1 20 . 1 1 4 4 ARG HB3 H 1 1.483 0.000 . . . . . . 4 ARG HB2 . 15312 1 21 . 1 1 4 4 ARG CG C 13 29.61 0.09 . . . . . . 4 ARG CG . 15312 1 22 . 1 1 4 4 ARG HG2 H 1 0.664 0.003 . . . . . . 4 ARG HG1 . 15312 1 23 . 1 1 4 4 ARG HG3 H 1 0.295 0.010 . . . . . . 4 ARG HG2 . 15312 1 24 . 1 1 4 4 ARG CD C 13 43.45 0.00 . . . . . . 4 ARG CD . 15312 1 25 . 1 1 4 4 ARG HD2 H 1 2.771 0.000 . . . . . . 4 ARG HD1 . 15312 1 26 . 1 1 4 4 ARG HD3 H 1 2.427 0.000 . . . . . . 4 ARG HD2 . 15312 1 27 . 1 1 5 5 LYS N N 15 121.46 0.05 . . . . . . 5 LYS N . 15312 1 28 . 1 1 5 5 LYS H H 1 7.637 0.014 . . . . . . 5 LYS HN . 15312 1 29 . 1 1 5 5 LYS CA C 13 60.92 0.05 . . . . . . 5 LYS CA . 15312 1 30 . 1 1 5 5 LYS HA H 1 4.054 0.017 . . . . . . 5 LYS HA . 15312 1 31 . 1 1 5 5 LYS C C 13 179.60 0.00 . . . . . . 5 LYS CO . 15312 1 32 . 1 1 5 5 LYS CB C 13 32.41 0.03 . . . . . . 5 LYS CB . 15312 1 33 . 1 1 5 5 LYS HB2 H 1 1.985 0.000 . . . . . . 5 LYS HB1 . 15312 1 34 . 1 1 5 5 LYS HB3 H 1 1.750 0.000 . . . . . . 5 LYS HB2 . 15312 1 35 . 1 1 5 5 LYS CG C 13 25.08 0.00 . . . . . . 5 LYS CG . 15312 1 36 . 1 1 5 5 LYS CD C 13 29.71 0.00 . . . . . . 5 LYS CD . 15312 1 37 . 1 1 5 5 LYS CE C 13 42.04 0.00 . . . . . . 5 LYS CE . 15312 1 38 . 1 1 5 5 LYS HG2 H 1 1.371 0.000 . . . . . . 5 LYS HG . 15312 1 39 . 1 1 5 5 LYS HG3 H 1 1.371 0.000 . . . . . . 5 LYS HG . 15312 1 40 . 1 1 5 5 LYS HD2 H 1 1.635 0.000 . . . . . . 5 LYS HD . 15312 1 41 . 1 1 5 5 LYS HD3 H 1 1.635 0.000 . . . . . . 5 LYS HD . 15312 1 42 . 1 1 5 5 LYS HE2 H 1 3.002 0.000 . . . . . . 5 LYS HE . 15312 1 43 . 1 1 5 5 LYS HE3 H 1 3.002 0.000 . . . . . . 5 LYS HE . 15312 1 44 . 1 1 6 6 GLY N N 15 106.99 0.06 . . . . . . 6 GLY N . 15312 1 45 . 1 1 6 6 GLY H H 1 8.059 0.012 . . . . . . 6 GLY HN . 15312 1 46 . 1 1 6 6 GLY CA C 13 47.02 0.07 . . . . . . 6 GLY CA . 15312 1 47 . 1 1 6 6 GLY HA2 H 1 4.073 0.003 . . . . . . 6 GLY HA1 . 15312 1 48 . 1 1 6 6 GLY HA3 H 1 4.024 0.010 . . . . . . 6 GLY HA2 . 15312 1 49 . 1 1 6 6 GLY C C 13 176.95 0.00 . . . . . . 6 GLY CO . 15312 1 50 . 1 1 7 7 ALA N N 15 123.60 0.05 . . . . . . 7 ALA N . 15312 1 51 . 1 1 7 7 ALA H H 1 7.835 0.011 . . . . . . 7 ALA HN . 15312 1 52 . 1 1 7 7 ALA CA C 13 55.12 0.18 . . . . . . 7 ALA CA . 15312 1 53 . 1 1 7 7 ALA HA H 1 4.468 0.009 . . . . . . 7 ALA HA . 15312 1 54 . 1 1 7 7 ALA C C 13 179.11 0.00 . . . . . . 7 ALA CO . 15312 1 55 . 1 1 7 7 ALA CB C 13 20.48 0.04 . . . . . . 7 ALA CB . 15312 1 56 . 1 1 7 7 ALA HB1 H 1 1.912 0.016 . . . . . . 7 ALA HB . 15312 1 57 . 1 1 7 7 ALA HB2 H 1 1.912 0.016 . . . . . . 7 ALA HB . 15312 1 58 . 1 1 7 7 ALA HB3 H 1 1.912 0.016 . . . . . . 7 ALA HB . 15312 1 59 . 1 1 8 8 ARG N N 15 118.52 0.04 . . . . . . 8 ARG N . 15312 1 60 . 1 1 8 8 ARG H H 1 8.280 0.006 . . . . . . 8 ARG HN . 15312 1 61 . 1 1 8 8 ARG CA C 13 60.59 0.10 . . . . . . 8 ARG CA . 15312 1 62 . 1 1 8 8 ARG HA H 1 3.960 0.000 . . . . . . 8 ARG HA . 15312 1 63 . 1 1 8 8 ARG C C 13 177.20 0.00 . . . . . . 8 ARG CO . 15312 1 64 . 1 1 8 8 ARG CB C 13 29.67 0.08 . . . . . . 8 ARG CB . 15312 1 65 . 1 1 8 8 ARG CD C 13 45.21 0.09 . . . . . . 8 ARG CD . 15312 1 66 . 1 1 8 8 ARG HD2 H 1 3.297 0.038 . . . . . . 8 ARG HD1 . 15312 1 67 . 1 1 8 8 ARG HD3 H 1 2.925 0.039 . . . . . . 8 ARG HD2 . 15312 1 68 . 1 1 8 8 ARG HB2 H 1 2.055 0.000 . . . . . . 8 ARG HB . 15312 1 69 . 1 1 8 8 ARG HB3 H 1 2.055 0.000 . . . . . . 8 ARG HB . 15312 1 70 . 1 1 8 8 ARG HG2 H 1 1.715 0.000 . . . . . . 8 ARG HG . 15312 1 71 . 1 1 8 8 ARG HG3 H 1 1.715 0.000 . . . . . . 8 ARG HG . 15312 1 72 . 1 1 9 9 ASP N N 15 118.82 0.03 . . . . . . 9 ASP N . 15312 1 73 . 1 1 9 9 ASP H H 1 7.578 0.011 . . . . . . 9 ASP HN . 15312 1 74 . 1 1 9 9 ASP CA C 13 58.31 0.07 . . . . . . 9 ASP CA . 15312 1 75 . 1 1 9 9 ASP HA H 1 4.522 0.008 . . . . . . 9 ASP HA . 15312 1 76 . 1 1 9 9 ASP C C 13 176.86 0.00 . . . . . . 9 ASP CO . 15312 1 77 . 1 1 9 9 ASP CB C 13 42.31 0.08 . . . . . . 9 ASP CB . 15312 1 78 . 1 1 9 9 ASP HB2 H 1 2.951 0.003 . . . . . . 9 ASP HB1 . 15312 1 79 . 1 1 9 9 ASP HB3 H 1 2.910 0.000 . . . . . . 9 ASP HB2 . 15312 1 80 . 1 1 10 10 THR N N 15 114.05 0.02 . . . . . . 10 THR N . 15312 1 81 . 1 1 10 10 THR H H 1 8.129 0.012 . . . . . . 10 THR HN . 15312 1 82 . 1 1 10 10 THR CA C 13 66.76 0.08 . . . . . . 10 THR CA . 15312 1 83 . 1 1 10 10 THR HA H 1 3.648 0.009 . . . . . . 10 THR HA . 15312 1 84 . 1 1 10 10 THR C C 13 174.94 0.00 . . . . . . 10 THR CO . 15312 1 85 . 1 1 10 10 THR CB C 13 68.60 0.11 . . . . . . 10 THR CB . 15312 1 86 . 1 1 10 10 THR HB H 1 4.131 0.518 . . . . . . 10 THR HB . 15312 1 87 . 1 1 10 10 THR CG2 C 13 22.15 0.00 . . . . . . 10 THR CG2 . 15312 1 88 . 1 1 10 10 THR HG21 H 1 0.922 0.004 . . . . . . 10 THR HG2 . 15312 1 89 . 1 1 10 10 THR HG22 H 1 0.922 0.004 . . . . . . 10 THR HG2 . 15312 1 90 . 1 1 10 10 THR HG23 H 1 0.922 0.004 . . . . . . 10 THR HG2 . 15312 1 91 . 1 1 11 11 ALA N N 15 120.61 0.04 . . . . . . 11 ALA N . 15312 1 92 . 1 1 11 11 ALA H H 1 8.551 0.012 . . . . . . 11 ALA HN . 15312 1 93 . 1 1 11 11 ALA CA C 13 55.29 0.08 . . . . . . 11 ALA CA . 15312 1 94 . 1 1 11 11 ALA HA H 1 3.841 0.006 . . . . . . 11 ALA HA . 15312 1 95 . 1 1 11 11 ALA C C 13 178.57 0.00 . . . . . . 11 ALA CO . 15312 1 96 . 1 1 11 11 ALA CB C 13 21.12 0.10 . . . . . . 11 ALA CB . 15312 1 97 . 1 1 11 11 ALA HB1 H 1 1.547 0.011 . . . . . . 11 ALA HB . 15312 1 98 . 1 1 11 11 ALA HB2 H 1 1.547 0.011 . . . . . . 11 ALA HB . 15312 1 99 . 1 1 11 11 ALA HB3 H 1 1.547 0.011 . . . . . . 11 ALA HB . 15312 1 100 . 1 1 12 12 PHE N N 15 117.92 0.04 . . . . . . 12 PHE N . 15312 1 101 . 1 1 12 12 PHE H H 1 8.753 0.010 . . . . . . 12 PHE HN . 15312 1 102 . 1 1 12 12 PHE CA C 13 62.55 0.20 . . . . . . 12 PHE CA . 15312 1 103 . 1 1 12 12 PHE HA H 1 3.905 0.010 . . . . . . 12 PHE HA . 15312 1 104 . 1 1 12 12 PHE C C 13 175.59 0.00 . . . . . . 12 PHE CO . 15312 1 105 . 1 1 12 12 PHE CB C 13 39.39 0.07 . . . . . . 12 PHE CB . 15312 1 106 . 1 1 12 12 PHE HB2 H 1 3.177 0.004 . . . . . . 12 PHE HB1 . 15312 1 107 . 1 1 12 12 PHE HB3 H 1 3.417 0.000 . . . . . . 12 PHE HB2 . 15312 1 108 . 1 1 12 12 PHE CZ C 13 120.36 19.99 . . . . . . 12 PHE CZ . 15312 1 109 . 1 1 12 12 PHE HZ H 1 6.808 0.002 . . . . . . 12 PHE HZ . 15312 1 110 . 1 1 12 12 PHE CD1 C 13 131.33 0.00 . . . . . . 12 PHE CD . 15312 1 111 . 1 1 12 12 PHE CD2 C 13 131.33 0.00 . . . . . . 12 PHE CD . 15312 1 112 . 1 1 12 12 PHE HD1 H 1 6.778 0.000 . . . . . . 12 PHE HD . 15312 1 113 . 1 1 12 12 PHE HD2 H 1 6.778 0.000 . . . . . . 12 PHE HD . 15312 1 114 . 1 1 12 12 PHE CE1 C 13 131.01 0.00 . . . . . . 12 PHE CE . 15312 1 115 . 1 1 12 12 PHE CE2 C 13 131.01 0.00 . . . . . . 12 PHE CE . 15312 1 116 . 1 1 12 12 PHE HE1 H 1 6.846 0.000 . . . . . . 12 PHE HE . 15312 1 117 . 1 1 12 12 PHE HE2 H 1 6.846 0.000 . . . . . . 12 PHE HE . 15312 1 118 . 1 1 13 13 LEU N N 15 119.21 0.06 . . . . . . 13 LEU N . 15312 1 119 . 1 1 13 13 LEU H H 1 8.286 0.008 . . . . . . 13 LEU HN . 15312 1 120 . 1 1 13 13 LEU CA C 13 58.00 0.08 . . . . . . 13 LEU CA . 15312 1 121 . 1 1 13 13 LEU HA H 1 3.590 0.007 . . . . . . 13 LEU HA . 15312 1 122 . 1 1 13 13 LEU C C 13 179.65 0.00 . . . . . . 13 LEU CO . 15312 1 123 . 1 1 13 13 LEU CB C 13 42.84 0.09 . . . . . . 13 LEU CB . 15312 1 124 . 1 1 13 13 LEU HB2 H 1 2.086 0.000 . . . . . . 13 LEU HB1 . 15312 1 125 . 1 1 13 13 LEU HB3 H 1 1.200 0.006 . . . . . . 13 LEU HB2 . 15312 1 126 . 1 1 13 13 LEU CG C 13 26.98 0.06 . . . . . . 13 LEU CG . 15312 1 127 . 1 1 13 13 LEU HG H 1 1.994 0.001 . . . . . . 13 LEU HG . 15312 1 128 . 1 1 13 13 LEU CD1 C 13 26.43 0.00 . . . . . . 13 LEU CD1 . 15312 1 129 . 1 1 13 13 LEU HD11 H 1 0.922 0.006 . . . . . . 13 LEU HD1 . 15312 1 130 . 1 1 13 13 LEU HD12 H 1 0.922 0.006 . . . . . . 13 LEU HD1 . 15312 1 131 . 1 1 13 13 LEU HD13 H 1 0.922 0.006 . . . . . . 13 LEU HD1 . 15312 1 132 . 1 1 13 13 LEU CD2 C 13 22.59 0.07 . . . . . . 13 LEU CD2 . 15312 1 133 . 1 1 13 13 LEU HD21 H 1 0.732 0.003 . . . . . . 13 LEU HD2 . 15312 1 134 . 1 1 13 13 LEU HD22 H 1 0.732 0.003 . . . . . . 13 LEU HD2 . 15312 1 135 . 1 1 13 13 LEU HD23 H 1 0.732 0.003 . . . . . . 13 LEU HD2 . 15312 1 136 . 1 1 14 14 VAL N N 15 117.83 0.07 . . . . . . 14 VAL N . 15312 1 137 . 1 1 14 14 VAL H H 1 7.868 0.010 . . . . . . 14 VAL HN . 15312 1 138 . 1 1 14 14 VAL CA C 13 67.60 0.06 . . . . . . 14 VAL CA . 15312 1 139 . 1 1 14 14 VAL HA H 1 3.353 0.007 . . . . . . 14 VAL HA . 15312 1 140 . 1 1 14 14 VAL C C 13 176.99 0.00 . . . . . . 14 VAL CO . 15312 1 141 . 1 1 14 14 VAL CB C 13 30.98 0.13 . . . . . . 14 VAL CB . 15312 1 142 . 1 1 14 14 VAL HB H 1 2.237 0.021 . . . . . . 14 VAL HB . 15312 1 143 . 1 1 14 14 VAL CG1 C 13 24.23 0.06 . . . . . . 14 VAL CG1 . 15312 1 144 . 1 1 14 14 VAL HG11 H 1 1.078 0.003 . . . . . . 14 VAL HG1 . 15312 1 145 . 1 1 14 14 VAL HG12 H 1 1.078 0.003 . . . . . . 14 VAL HG1 . 15312 1 146 . 1 1 14 14 VAL HG13 H 1 1.078 0.003 . . . . . . 14 VAL HG1 . 15312 1 147 . 1 1 14 14 VAL CG2 C 13 22.17 0.09 . . . . . . 14 VAL CG2 . 15312 1 148 . 1 1 14 14 VAL HG21 H 1 0.901 0.001 . . . . . . 14 VAL HG2 . 15312 1 149 . 1 1 14 14 VAL HG22 H 1 0.901 0.001 . . . . . . 14 VAL HG2 . 15312 1 150 . 1 1 14 14 VAL HG23 H 1 0.901 0.001 . . . . . . 14 VAL HG2 . 15312 1 151 . 1 1 15 15 LEU N N 15 119.46 0.03 . . . . . . 15 LEU N . 15312 1 152 . 1 1 15 15 LEU H H 1 8.130 0.010 . . . . . . 15 LEU HN . 15312 1 153 . 1 1 15 15 LEU CA C 13 58.92 0.06 . . . . . . 15 LEU CA . 15312 1 154 . 1 1 15 15 LEU HA H 1 4.173 0.002 . . . . . . 15 LEU HA . 15312 1 155 . 1 1 15 15 LEU C C 13 177.86 0.00 . . . . . . 15 LEU CO . 15312 1 156 . 1 1 15 15 LEU CB C 13 41.31 0.04 . . . . . . 15 LEU CB . 15312 1 157 . 1 1 15 15 LEU HB2 H 1 1.999 0.000 . . . . . . 15 LEU HB1 . 15312 1 158 . 1 1 15 15 LEU HB3 H 1 1.855 0.000 . . . . . . 15 LEU HB2 . 15312 1 159 . 1 1 15 15 LEU CG C 13 26.32 0.00 . . . . . . 15 LEU CG . 15312 1 160 . 1 1 15 15 LEU CD1 C 13 26.12 0.00 . . . . . . 15 LEU CD1 . 15312 1 161 . 1 1 15 15 LEU CD2 C 13 23.03 0.07 . . . . . . 15 LEU CD2 . 15312 1 162 . 1 1 15 15 LEU HD11 H 1 0.878 0.012 . . . . . . 15 LEU HD . 15312 1 163 . 1 1 15 15 LEU HD12 H 1 0.878 0.012 . . . . . . 15 LEU HD . 15312 1 164 . 1 1 15 15 LEU HD13 H 1 0.878 0.012 . . . . . . 15 LEU HD . 15312 1 165 . 1 1 15 15 LEU HD21 H 1 0.878 0.012 . . . . . . 15 LEU HD . 15312 1 166 . 1 1 15 15 LEU HD22 H 1 0.878 0.012 . . . . . . 15 LEU HD . 15312 1 167 . 1 1 15 15 LEU HD23 H 1 0.878 0.012 . . . . . . 15 LEU HD . 15312 1 168 . 1 1 16 16 TYR N N 15 118.95 0.04 . . . . . . 16 TYR N . 15312 1 169 . 1 1 16 16 TYR H H 1 8.832 0.008 . . . . . . 16 TYR HN . 15312 1 170 . 1 1 16 16 TYR CA C 13 60.92 0.07 . . . . . . 16 TYR CA . 15312 1 171 . 1 1 16 16 TYR HA H 1 4.138 0.002 . . . . . . 16 TYR HA . 15312 1 172 . 1 1 16 16 TYR C C 13 176.87 0.00 . . . . . . 16 TYR CO . 15312 1 173 . 1 1 16 16 TYR CB C 13 38.92 0.05 . . . . . . 16 TYR CB . 15312 1 174 . 1 1 16 16 TYR HB2 H 1 2.034 0.021 . . . . . . 16 TYR HB1 . 15312 1 175 . 1 1 16 16 TYR HB3 H 1 2.724 0.000 . . . . . . 16 TYR HB2 . 15312 1 176 . 1 1 16 16 TYR CD1 C 13 132.04 0.00 . . . . . . 16 TYR CD . 15312 1 177 . 1 1 16 16 TYR CD2 C 13 132.04 0.00 . . . . . . 16 TYR CD . 15312 1 178 . 1 1 16 16 TYR HD1 H 1 6.784 0.000 . . . . . . 16 TYR HD . 15312 1 179 . 1 1 16 16 TYR HD2 H 1 6.784 0.000 . . . . . . 16 TYR HD . 15312 1 180 . 1 1 16 16 TYR CE1 C 13 118.26 0.10 . . . . . . 16 TYR CE . 15312 1 181 . 1 1 16 16 TYR CE2 C 13 118.26 0.10 . . . . . . 16 TYR CE . 15312 1 182 . 1 1 16 16 TYR HE1 H 1 6.707 0.003 . . . . . . 16 TYR HE . 15312 1 183 . 1 1 16 16 TYR HE2 H 1 6.707 0.003 . . . . . . 16 TYR HE . 15312 1 184 . 1 1 17 17 ARG N N 15 116.72 0.07 . . . . . . 17 ARG N . 15312 1 185 . 1 1 17 17 ARG H H 1 8.275 0.011 . . . . . . 17 ARG HN . 15312 1 186 . 1 1 17 17 ARG CA C 13 60.24 0.07 . . . . . . 17 ARG CA . 15312 1 187 . 1 1 17 17 ARG HA H 1 3.737 0.005 . . . . . . 17 ARG HA . 15312 1 188 . 1 1 17 17 ARG C C 13 178.05 0.00 . . . . . . 17 ARG CO . 15312 1 189 . 1 1 17 17 ARG CB C 13 31.06 0.07 . . . . . . 17 ARG CB . 15312 1 190 . 1 1 17 17 ARG CG C 13 29.12 0.00 . . . . . . 17 ARG CG . 15312 1 191 . 1 1 17 17 ARG CD C 13 43.98 0.00 . . . . . . 17 ARG CD . 15312 1 192 . 1 1 17 17 ARG HD2 H 1 3.167 0.000 . . . . . . 17 ARG HD1 . 15312 1 193 . 1 1 17 17 ARG HD3 H 1 2.690 0.000 . . . . . . 17 ARG HD2 . 15312 1 194 . 1 1 17 17 ARG HB2 H 1 1.888 0.000 . . . . . . 17 ARG HB . 15312 1 195 . 1 1 17 17 ARG HB3 H 1 1.888 0.000 . . . . . . 17 ARG HB . 15312 1 196 . 1 1 17 17 ARG HG2 H 1 1.646 0.000 . . . . . . 17 ARG HG . 15312 1 197 . 1 1 17 17 ARG HG3 H 1 1.646 0.000 . . . . . . 17 ARG HG . 15312 1 198 . 1 1 18 18 TRP N N 15 124.89 0.15 . . . . . . 18 TRP N . 15312 1 199 . 1 1 18 18 TRP H H 1 9.173 0.012 . . . . . . 18 TRP HN . 15312 1 200 . 1 1 18 18 TRP CA C 13 60.14 0.05 . . . . . . 18 TRP CA . 15312 1 201 . 1 1 18 18 TRP HA H 1 4.235 0.009 . . . . . . 18 TRP HA . 15312 1 202 . 1 1 18 18 TRP C C 13 178.59 0.00 . . . . . . 18 TRP CO . 15312 1 203 . 1 1 18 18 TRP CB C 13 28.52 0.01 . . . . . . 18 TRP CB . 15312 1 204 . 1 1 18 18 TRP HB2 H 1 3.568 0.438 . . . . . . 18 TRP HB1 . 15312 1 205 . 1 1 18 18 TRP HB3 H 1 3.045 0.021 . . . . . . 18 TRP HB2 . 15312 1 206 . 1 1 18 18 TRP CE3 C 13 120.15 0.00 . . . . . . 18 TRP CE3 . 15312 1 207 . 1 1 18 18 TRP HE3 H 1 7.645 0.000 . . . . . . 18 TRP HE3 . 15312 1 208 . 1 1 18 18 TRP CZ2 C 13 114.52 0.02 . . . . . . 18 TRP CZ2 . 15312 1 209 . 1 1 18 18 TRP HZ2 H 1 7.518 0.002 . . . . . . 18 TRP HZ2 . 15312 1 210 . 1 1 18 18 TRP CZ3 C 13 120.93 0.00 . . . . . . 18 TRP CZ3 . 15312 1 211 . 1 1 18 18 TRP HZ3 H 1 6.834 0.000 . . . . . . 18 TRP HZ3 . 15312 1 212 . 1 1 18 18 TRP CH2 C 13 123.81 0.00 . . . . . . 18 TRP CH2 . 15312 1 213 . 1 1 18 18 TRP HH2 H 1 7.103 0.000 . . . . . . 18 TRP HH2 . 15312 1 214 . 1 1 19 19 ASP N N 15 121.97 0.06 . . . . . . 19 ASP N . 15312 1 215 . 1 1 19 19 ASP H H 1 8.650 0.007 . . . . . . 19 ASP HN . 15312 1 216 . 1 1 19 19 ASP CA C 13 56.18 0.10 . . . . . . 19 ASP CA . 15312 1 217 . 1 1 19 19 ASP HA H 1 3.978 0.007 . . . . . . 19 ASP HA . 15312 1 218 . 1 1 19 19 ASP C C 13 178.26 0.00 . . . . . . 19 ASP CO . 15312 1 219 . 1 1 19 19 ASP CB C 13 42.02 0.03 . . . . . . 19 ASP CB . 15312 1 220 . 1 1 19 19 ASP HB2 H 1 2.980 0.022 . . . . . . 19 ASP HB1 . 15312 1 221 . 1 1 19 19 ASP HB3 H 1 3.031 0.000 . . . . . . 19 ASP HB2 . 15312 1 222 . 1 1 20 20 LEU N N 15 116.40 0.04 . . . . . . 20 LEU N . 15312 1 223 . 1 1 20 20 LEU H H 1 8.027 0.010 . . . . . . 20 LEU HN . 15312 1 224 . 1 1 20 20 LEU CA C 13 57.96 0.09 . . . . . . 20 LEU CA . 15312 1 225 . 1 1 20 20 LEU HA H 1 3.723 0.005 . . . . . . 20 LEU HA . 15312 1 226 . 1 1 20 20 LEU C C 13 179.25 0.00 . . . . . . 20 LEU CO . 15312 1 227 . 1 1 20 20 LEU CB C 13 44.01 0.06 . . . . . . 20 LEU CB . 15312 1 228 . 1 1 20 20 LEU HB2 H 1 1.220 0.008 . . . . . . 20 LEU HB1 . 15312 1 229 . 1 1 20 20 LEU HB3 H 1 1.112 0.008 . . . . . . 20 LEU HB2 . 15312 1 230 . 1 1 20 20 LEU CG C 13 26.74 0.14 . . . . . . 20 LEU CG . 15312 1 231 . 1 1 20 20 LEU HG H 1 1.012 0.005 . . . . . . 20 LEU HG . 15312 1 232 . 1 1 20 20 LEU CD1 C 13 24.02 0.11 . . . . . . 20 LEU CD1 . 15312 1 233 . 1 1 20 20 LEU HD11 H 1 0.251 0.010 . . . . . . 20 LEU HD1 . 15312 1 234 . 1 1 20 20 LEU HD12 H 1 0.251 0.010 . . . . . . 20 LEU HD1 . 15312 1 235 . 1 1 20 20 LEU HD13 H 1 0.251 0.010 . . . . . . 20 LEU HD1 . 15312 1 236 . 1 1 20 20 LEU CD2 C 13 23.62 0.11 . . . . . . 20 LEU CD2 . 15312 1 237 . 1 1 20 20 LEU HD21 H 1 0.123 0.011 . . . . . . 20 LEU HD2 . 15312 1 238 . 1 1 20 20 LEU HD22 H 1 0.123 0.011 . . . . . . 20 LEU HD2 . 15312 1 239 . 1 1 20 20 LEU HD23 H 1 0.123 0.011 . . . . . . 20 LEU HD2 . 15312 1 240 . 1 1 21 21 ARG N N 15 113.43 0.08 . . . . . . 21 ARG N . 15312 1 241 . 1 1 21 21 ARG H H 1 8.510 0.011 . . . . . . 21 ARG HN . 15312 1 242 . 1 1 21 21 ARG CA C 13 57.17 0.08 . . . . . . 21 ARG CA . 15312 1 243 . 1 1 21 21 ARG HA H 1 4.374 0.007 . . . . . . 21 ARG HA . 15312 1 244 . 1 1 21 21 ARG C C 13 178.41 0.00 . . . . . . 21 ARG CO . 15312 1 245 . 1 1 21 21 ARG CB C 13 32.92 0.06 . . . . . . 21 ARG CB . 15312 1 246 . 1 1 21 21 ARG HB2 H 1 2.110 0.000 . . . . . . 21 ARG HB1 . 15312 1 247 . 1 1 21 21 ARG HB3 H 1 1.818 0.000 . . . . . . 21 ARG HB2 . 15312 1 248 . 1 1 21 21 ARG CG C 13 26.94 0.00 . . . . . . 21 ARG CG . 15312 1 249 . 1 1 21 21 ARG HG2 H 1 1.724 0.000 . . . . . . 21 ARG HG1 . 15312 1 250 . 1 1 21 21 ARG HG3 H 1 1.571 0.000 . . . . . . 21 ARG HG2 . 15312 1 251 . 1 1 21 21 ARG CD C 13 44.25 0.13 . . . . . . 21 ARG CD . 15312 1 252 . 1 1 21 21 ARG HD2 H 1 3.191 0.003 . . . . . . 21 ARG HD1 . 15312 1 253 . 1 1 21 21 ARG HD3 H 1 3.220 0.271 . . . . . . 21 ARG HD2 . 15312 1 254 . 1 1 22 22 GLY N N 15 108.52 0.06 . . . . . . 22 GLY N . 15312 1 255 . 1 1 22 22 GLY H H 1 8.549 0.014 . . . . . . 22 GLY HN . 15312 1 256 . 1 1 22 22 GLY CA C 13 46.39 0.10 . . . . . . 22 GLY CA . 15312 1 257 . 1 1 22 22 GLY HA2 H 1 3.781 0.012 . . . . . . 22 GLY HA1 . 15312 1 258 . 1 1 22 22 GLY HA3 H 1 3.938 0.014 . . . . . . 22 GLY HA2 . 15312 1 259 . 1 1 22 22 GLY C C 13 174.35 0.00 . . . . . . 22 GLY CO . 15312 1 260 . 1 1 23 23 GLU N N 15 117.43 0.04 . . . . . . 23 GLU N . 15312 1 261 . 1 1 23 23 GLU H H 1 6.249 0.013 . . . . . . 23 GLU HN . 15312 1 262 . 1 1 23 23 GLU CA C 13 55.36 0.06 . . . . . . 23 GLU CA . 15312 1 263 . 1 1 23 23 GLU HA H 1 4.393 0.006 . . . . . . 23 GLU HA . 15312 1 264 . 1 1 23 23 GLU C C 13 173.62 0.00 . . . . . . 23 GLU CO . 15312 1 265 . 1 1 23 23 GLU CB C 13 31.62 0.08 . . . . . . 23 GLU CB . 15312 1 266 . 1 1 23 23 GLU HB2 H 1 1.643 0.007 . . . . . . 23 GLU HB1 . 15312 1 267 . 1 1 23 23 GLU HB3 H 1 1.621 0.006 . . . . . . 23 GLU HB2 . 15312 1 268 . 1 1 23 23 GLU CG C 13 36.89 0.06 . . . . . . 23 GLU CG . 15312 1 269 . 1 1 23 23 GLU HG2 H 1 2.365 0.004 . . . . . . 23 GLU HG1 . 15312 1 270 . 1 1 23 23 GLU HG3 H 1 2.238 0.003 . . . . . . 23 GLU HG2 . 15312 1 271 . 1 1 24 24 ASN N N 15 118.30 0.08 . . . . . . 24 ASN N . 15312 1 272 . 1 1 24 24 ASN H H 1 8.554 0.009 . . . . . . 24 ASN HN . 15312 1 273 . 1 1 24 24 ASN CA C 13 52.14 0.07 . . . . . . 24 ASN CA . 15312 1 274 . 1 1 24 24 ASN HA H 1 4.783 0.002 . . . . . . 24 ASN HA . 15312 1 275 . 1 1 24 24 ASN CB C 13 39.88 0.15 . . . . . . 24 ASN CB . 15312 1 276 . 1 1 24 24 ASN HB2 H 1 2.972 0.002 . . . . . . 24 ASN HB1 . 15312 1 277 . 1 1 24 24 ASN HB3 H 1 2.765 0.006 . . . . . . 24 ASN HB2 . 15312 1 278 . 1 1 24 24 ASN ND2 N 15 114.90 0.01 . . . . . . 24 ASN ND2 . 15312 1 279 . 1 1 24 24 ASN HD21 H 1 7.998 0.000 . . . . . . 24 ASN HD21 . 15312 1 280 . 1 1 24 24 ASN HD22 H 1 7.170 0.000 . . . . . . 24 ASN HD22 . 15312 1 281 . 1 1 25 25 PRO CA C 13 65.59 0.10 . . . . . . 25 PRO CA . 15312 1 282 . 1 1 25 25 PRO HA H 1 3.901 0.014 . . . . . . 25 PRO HA . 15312 1 283 . 1 1 25 25 PRO C C 13 177.56 0.00 . . . . . . 25 PRO CO . 15312 1 284 . 1 1 25 25 PRO CB C 13 31.27 0.04 . . . . . . 25 PRO CB . 15312 1 285 . 1 1 25 25 PRO HB2 H 1 1.498 0.028 . . . . . . 25 PRO HB1 . 15312 1 286 . 1 1 25 25 PRO HB3 H 1 1.311 0.006 . . . . . . 25 PRO HB2 . 15312 1 287 . 1 1 25 25 PRO CG C 13 26.67 0.00 . . . . . . 25 PRO CG . 15312 1 288 . 1 1 25 25 PRO CD C 13 51.16 0.08 . . . . . . 25 PRO CD . 15312 1 289 . 1 1 25 25 PRO HD2 H 1 3.854 0.000 . . . . . . 25 PRO HD1 . 15312 1 290 . 1 1 25 25 PRO HD3 H 1 3.647 0.000 . . . . . . 25 PRO HD2 . 15312 1 291 . 1 1 25 25 PRO HG2 H 1 1.451 0.000 . . . . . . 25 PRO HG . 15312 1 292 . 1 1 25 25 PRO HG3 H 1 1.451 0.000 . . . . . . 25 PRO HG . 15312 1 293 . 1 1 26 26 GLY N N 15 105.56 0.03 . . . . . . 26 GLY N . 15312 1 294 . 1 1 26 26 GLY H H 1 8.184 0.010 . . . . . . 26 GLY HN . 15312 1 295 . 1 1 26 26 GLY CA C 13 47.16 0.05 . . . . . . 26 GLY CA . 15312 1 296 . 1 1 26 26 GLY HA2 H 1 3.925 0.008 . . . . . . 26 GLY HA1 . 15312 1 297 . 1 1 26 26 GLY HA3 H 1 3.841 0.017 . . . . . . 26 GLY HA2 . 15312 1 298 . 1 1 26 26 GLY C C 13 177.28 0.00 . . . . . . 26 GLY CO . 15312 1 299 . 1 1 27 27 GLU N N 15 122.51 0.04 . . . . . . 27 GLU N . 15312 1 300 . 1 1 27 27 GLU H H 1 7.567 0.012 . . . . . . 27 GLU HN . 15312 1 301 . 1 1 27 27 GLU CA C 13 58.50 0.06 . . . . . . 27 GLU CA . 15312 1 302 . 1 1 27 27 GLU HA H 1 4.252 0.008 . . . . . . 27 GLU HA . 15312 1 303 . 1 1 27 27 GLU C C 13 179.74 0.00 . . . . . . 27 GLU CO . 15312 1 304 . 1 1 27 27 GLU CB C 13 29.50 0.07 . . . . . . 27 GLU CB . 15312 1 305 . 1 1 27 27 GLU CG C 13 36.20 0.10 . . . . . . 27 GLU CG . 15312 1 306 . 1 1 27 27 GLU HG2 H 1 2.431 0.003 . . . . . . 27 GLU HG1 . 15312 1 307 . 1 1 27 27 GLU HG3 H 1 2.322 0.005 . . . . . . 27 GLU HG2 . 15312 1 308 . 1 1 27 27 GLU HB2 H 1 2.213 0.015 . . . . . . 27 GLU HB . 15312 1 309 . 1 1 27 27 GLU HB3 H 1 2.213 0.015 . . . . . . 27 GLU HB . 15312 1 310 . 1 1 28 28 LEU N N 15 120.92 0.05 . . . . . . 28 LEU N . 15312 1 311 . 1 1 28 28 LEU H H 1 8.120 0.007 . . . . . . 28 LEU HN . 15312 1 312 . 1 1 28 28 LEU CA C 13 57.24 0.06 . . . . . . 28 LEU CA . 15312 1 313 . 1 1 28 28 LEU HA H 1 4.101 0.005 . . . . . . 28 LEU HA . 15312 1 314 . 1 1 28 28 LEU C C 13 178.72 0.00 . . . . . . 28 LEU CO . 15312 1 315 . 1 1 28 28 LEU CB C 13 43.01 0.04 . . . . . . 28 LEU CB . 15312 1 316 . 1 1 28 28 LEU HB2 H 1 2.012 0.000 . . . . . . 28 LEU HB1 . 15312 1 317 . 1 1 28 28 LEU HB3 H 1 1.234 0.000 . . . . . . 28 LEU HB2 . 15312 1 318 . 1 1 28 28 LEU CG C 13 26.16 0.01 . . . . . . 28 LEU CG . 15312 1 319 . 1 1 28 28 LEU HG H 1 1.700 0.016 . . . . . . 28 LEU HG . 15312 1 320 . 1 1 28 28 LEU HD11 H 1 0.874 0.001 . . . . . . 28 LEU HD1 . 15312 1 321 . 1 1 28 28 LEU HD12 H 1 0.874 0.001 . . . . . . 28 LEU HD1 . 15312 1 322 . 1 1 28 28 LEU HD13 H 1 0.874 0.001 . . . . . . 28 LEU HD1 . 15312 1 323 . 1 1 28 28 LEU CD2 C 13 23.62 0.06 . . . . . . 28 LEU CD2 . 15312 1 324 . 1 1 28 28 LEU HD21 H 1 0.810 0.003 . . . . . . 28 LEU HD2 . 15312 1 325 . 1 1 28 28 LEU HD22 H 1 0.810 0.003 . . . . . . 28 LEU HD2 . 15312 1 326 . 1 1 28 28 LEU HD23 H 1 0.810 0.003 . . . . . . 28 LEU HD2 . 15312 1 327 . 1 1 29 29 PHE N N 15 119.98 0.06 . . . . . . 29 PHE N . 15312 1 328 . 1 1 29 29 PHE H H 1 8.654 0.010 . . . . . . 29 PHE HN . 15312 1 329 . 1 1 29 29 PHE CA C 13 61.94 0.03 . . . . . . 29 PHE CA . 15312 1 330 . 1 1 29 29 PHE HA H 1 4.028 0.014 . . . . . . 29 PHE HA . 15312 1 331 . 1 1 29 29 PHE C C 13 175.78 0.00 . . . . . . 29 PHE CO . 15312 1 332 . 1 1 29 29 PHE CB C 13 38.96 0.02 . . . . . . 29 PHE CB . 15312 1 333 . 1 1 29 29 PHE HB2 H 1 3.185 0.106 . . . . . . 29 PHE HB1 . 15312 1 334 . 1 1 29 29 PHE HB3 H 1 3.094 0.000 . . . . . . 29 PHE HB2 . 15312 1 335 . 1 1 29 29 PHE CZ C 13 130.64 0.00 . . . . . . 29 PHE CZ . 15312 1 336 . 1 1 29 29 PHE HZ H 1 6.751 0.000 . . . . . . 29 PHE HZ . 15312 1 337 . 1 1 29 29 PHE CD1 C 13 131.05 0.00 . . . . . . 29 PHE CD . 15312 1 338 . 1 1 29 29 PHE CD2 C 13 131.05 0.00 . . . . . . 29 PHE CD . 15312 1 339 . 1 1 29 29 PHE HD1 H 1 6.986 0.000 . . . . . . 29 PHE HD . 15312 1 340 . 1 1 29 29 PHE HD2 H 1 6.986 0.000 . . . . . . 29 PHE HD . 15312 1 341 . 1 1 30 30 LYS N N 15 117.34 0.05 . . . . . . 30 LYS N . 15312 1 342 . 1 1 30 30 LYS H H 1 7.171 0.010 . . . . . . 30 LYS HN . 15312 1 343 . 1 1 30 30 LYS CA C 13 59.75 0.09 . . . . . . 30 LYS CA . 15312 1 344 . 1 1 30 30 LYS HA H 1 3.799 0.004 . . . . . . 30 LYS HA . 15312 1 345 . 1 1 30 30 LYS C C 13 178.80 0.00 . . . . . . 30 LYS CO . 15312 1 346 . 1 1 30 30 LYS CB C 13 32.45 0.07 . . . . . . 30 LYS CB . 15312 1 347 . 1 1 30 30 LYS HB2 H 1 2.039 0.002 . . . . . . 30 LYS HB1 . 15312 1 348 . 1 1 30 30 LYS HB3 H 1 2.003 0.006 . . . . . . 30 LYS HB2 . 15312 1 349 . 1 1 30 30 LYS CG C 13 25.30 0.03 . . . . . . 30 LYS CG . 15312 1 350 . 1 1 30 30 LYS HG2 H 1 1.735 0.004 . . . . . . 30 LYS HG1 . 15312 1 351 . 1 1 30 30 LYS HG3 H 1 1.520 0.006 . . . . . . 30 LYS HG2 . 15312 1 352 . 1 1 30 30 LYS CD C 13 29.46 0.08 . . . . . . 30 LYS CD . 15312 1 353 . 1 1 30 30 LYS CE C 13 42.12 0.00 . . . . . . 30 LYS CE . 15312 1 354 . 1 1 30 30 LYS HD2 H 1 1.788 0.004 . . . . . . 30 LYS HD . 15312 1 355 . 1 1 30 30 LYS HD3 H 1 1.788 0.004 . . . . . . 30 LYS HD . 15312 1 356 . 1 1 30 30 LYS HE2 H 1 3.036 0.002 . . . . . . 30 LYS HE . 15312 1 357 . 1 1 30 30 LYS HE3 H 1 3.036 0.002 . . . . . . 30 LYS HE . 15312 1 358 . 1 1 31 31 GLU N N 15 118.46 0.06 . . . . . . 31 GLU N . 15312 1 359 . 1 1 31 31 GLU H H 1 7.681 0.007 . . . . . . 31 GLU HN . 15312 1 360 . 1 1 31 31 GLU CA C 13 59.32 0.07 . . . . . . 31 GLU CA . 15312 1 361 . 1 1 31 31 GLU HA H 1 4.081 0.005 . . . . . . 31 GLU HA . 15312 1 362 . 1 1 31 31 GLU C C 13 179.03 0.00 . . . . . . 31 GLU CO . 15312 1 363 . 1 1 31 31 GLU CB C 13 30.36 0.09 . . . . . . 31 GLU CB . 15312 1 364 . 1 1 31 31 GLU HB2 H 1 2.015 0.000 . . . . . . 31 GLU HB2 . 15312 1 365 . 1 1 31 31 GLU CG C 13 36.79 0.09 . . . . . . 31 GLU CG . 15312 1 366 . 1 1 31 31 GLU HG2 H 1 2.419 0.004 . . . . . . 31 GLU HG1 . 15312 1 367 . 1 1 31 31 GLU HG3 H 1 2.039 0.003 . . . . . . 31 GLU HG2 . 15312 1 368 . 1 1 31 31 GLU HB3 H 1 2.272 0.006 . . . . . . 31 GLU HB3 . 15312 1 369 . 1 1 32 32 VAL N N 15 120.35 0.06 . . . . . . 32 VAL N . 15312 1 370 . 1 1 32 32 VAL H H 1 8.313 0.012 . . . . . . 32 VAL HN . 15312 1 371 . 1 1 32 32 VAL CA C 13 66.79 0.10 . . . . . . 32 VAL CA . 15312 1 372 . 1 1 32 32 VAL HA H 1 3.587 0.006 . . . . . . 32 VAL HA . 15312 1 373 . 1 1 32 32 VAL C C 13 177.54 0.00 . . . . . . 32 VAL CO . 15312 1 374 . 1 1 32 32 VAL CB C 13 31.46 0.08 . . . . . . 32 VAL CB . 15312 1 375 . 1 1 32 32 VAL HB H 1 1.859 0.013 . . . . . . 32 VAL HB . 15312 1 376 . 1 1 32 32 VAL HG11 H 1 0.999 0.003 . . . . . . 32 VAL HG1 . 15312 1 377 . 1 1 32 32 VAL HG12 H 1 0.999 0.003 . . . . . . 32 VAL HG1 . 15312 1 378 . 1 1 32 32 VAL HG13 H 1 0.999 0.003 . . . . . . 32 VAL HG1 . 15312 1 379 . 1 1 32 32 VAL HG21 H 1 0.960 0.009 . . . . . . 32 VAL HG2 . 15312 1 380 . 1 1 32 32 VAL HG22 H 1 0.960 0.009 . . . . . . 32 VAL HG2 . 15312 1 381 . 1 1 32 32 VAL HG23 H 1 0.960 0.009 . . . . . . 32 VAL HG2 . 15312 1 382 . 1 1 32 32 VAL CG1 C 13 23.54 0.05 . . . . . . 32 VAL CG1 . 15312 1 383 . 1 1 33 33 VAL N N 15 118.51 0.03 . . . . . . 33 VAL N . 15312 1 384 . 1 1 33 33 VAL H H 1 8.194 0.010 . . . . . . 33 VAL HN . 15312 1 385 . 1 1 33 33 VAL CA C 13 66.69 0.06 . . . . . . 33 VAL CA . 15312 1 386 . 1 1 33 33 VAL HA H 1 3.483 0.006 . . . . . . 33 VAL HA . 15312 1 387 . 1 1 33 33 VAL C C 13 178.66 0.00 . . . . . . 33 VAL CO . 15312 1 388 . 1 1 33 33 VAL CB C 13 31.37 0.07 . . . . . . 33 VAL CB . 15312 1 389 . 1 1 33 33 VAL HB H 1 2.021 0.004 . . . . . . 33 VAL HB . 15312 1 390 . 1 1 33 33 VAL CG1 C 13 22.60 0.07 . . . . . . 33 VAL CG1 . 15312 1 391 . 1 1 33 33 VAL HG11 H 1 0.531 0.016 . . . . . . 33 VAL HG1 . 15312 1 392 . 1 1 33 33 VAL HG12 H 1 0.531 0.016 . . . . . . 33 VAL HG1 . 15312 1 393 . 1 1 33 33 VAL HG13 H 1 0.531 0.016 . . . . . . 33 VAL HG1 . 15312 1 394 . 1 1 33 33 VAL CG2 C 13 21.43 0.12 . . . . . . 33 VAL CG2 . 15312 1 395 . 1 1 33 33 VAL HG21 H 1 0.803 0.013 . . . . . . 33 VAL HG2 . 15312 1 396 . 1 1 33 33 VAL HG22 H 1 0.803 0.013 . . . . . . 33 VAL HG2 . 15312 1 397 . 1 1 33 33 VAL HG23 H 1 0.803 0.013 . . . . . . 33 VAL HG2 . 15312 1 398 . 1 1 34 34 GLU N N 15 118.78 0.04 . . . . . . 34 GLU N . 15312 1 399 . 1 1 34 34 GLU H H 1 7.625 0.010 . . . . . . 34 GLU HN . 15312 1 400 . 1 1 34 34 GLU CA C 13 58.97 0.09 . . . . . . 34 GLU CA . 15312 1 401 . 1 1 34 34 GLU HA H 1 4.197 0.008 . . . . . . 34 GLU HA . 15312 1 402 . 1 1 34 34 GLU C C 13 179.28 0.00 . . . . . . 34 GLU CO . 15312 1 403 . 1 1 34 34 GLU CB C 13 29.48 0.10 . . . . . . 34 GLU CB . 15312 1 404 . 1 1 34 34 GLU CG C 13 36.37 0.06 . . . . . . 34 GLU CG . 15312 1 405 . 1 1 34 34 GLU HG2 H 1 2.422 0.002 . . . . . . 34 GLU HG1 . 15312 1 406 . 1 1 34 34 GLU HG3 H 1 2.296 0.003 . . . . . . 34 GLU HG2 . 15312 1 407 . 1 1 34 34 GLU HB2 H 1 2.108 0.000 . . . . . . 34 GLU HB1 . 15312 1 408 . 1 1 34 34 GLU HB3 H 1 2.115 0.004 . . . . . . 34 GLU HB . 15312 1 409 . 1 1 35 35 GLU N N 15 121.78 0.04 . . . . . . 35 GLU N . 15312 1 410 . 1 1 35 35 GLU H H 1 8.278 0.010 . . . . . . 35 GLU HN . 15312 1 411 . 1 1 35 35 GLU CA C 13 59.36 0.05 . . . . . . 35 GLU CA . 15312 1 412 . 1 1 35 35 GLU HA H 1 4.021 0.006 . . . . . . 35 GLU HA . 15312 1 413 . 1 1 35 35 GLU C C 13 178.79 0.00 . . . . . . 35 GLU CO . 15312 1 414 . 1 1 35 35 GLU CB C 13 30.93 0.05 . . . . . . 35 GLU CB . 15312 1 415 . 1 1 35 35 GLU HB2 H 1 2.309 0.002 . . . . . . 35 GLU HB1 . 15312 1 416 . 1 1 35 35 GLU HB3 H 1 2.118 0.008 . . . . . . 35 GLU HB2 . 15312 1 417 . 1 1 35 35 GLU CG C 13 36.25 0.02 . . . . . . 35 GLU CG . 15312 1 418 . 1 1 35 35 GLU HG2 H 1 2.436 0.007 . . . . . . 35 GLU HG1 . 15312 1 419 . 1 1 35 35 GLU HG3 H 1 2.153 0.002 . . . . . . 35 GLU HG2 . 15312 1 420 . 1 1 36 36 LYS N N 15 114.53 0.04 . . . . . . 36 LYS N . 15312 1 421 . 1 1 36 36 LYS H H 1 8.358 0.011 . . . . . . 36 LYS HN . 15312 1 422 . 1 1 36 36 LYS CA C 13 55.92 0.07 . . . . . . 36 LYS CA . 15312 1 423 . 1 1 36 36 LYS HA H 1 4.246 0.003 . . . . . . 36 LYS HA . 15312 1 424 . 1 1 36 36 LYS C C 13 175.94 0.00 . . . . . . 36 LYS CO . 15312 1 425 . 1 1 36 36 LYS CB C 13 32.05 0.03 . . . . . . 36 LYS CB . 15312 1 426 . 1 1 36 36 LYS CG C 13 25.32 0.00 . . . . . . 36 LYS CG . 15312 1 427 . 1 1 36 36 LYS CD C 13 28.58 0.00 . . . . . . 36 LYS CD . 15312 1 428 . 1 1 36 36 LYS HD2 H 1 1.669 0.010 . . . . . . 36 LYS HD1 . 15312 1 429 . 1 1 36 36 LYS HD3 H 1 1.566 0.000 . . . . . . 36 LYS HD2 . 15312 1 430 . 1 1 36 36 LYS CE C 13 41.99 0.06 . . . . . . 36 LYS CE . 15312 1 431 . 1 1 36 36 LYS HB2 H 1 1.725 0.216 . . . . . . 36 LYS HB . 15312 1 432 . 1 1 36 36 LYS HB3 H 1 1.725 0.216 . . . . . . 36 LYS HB . 15312 1 433 . 1 1 36 36 LYS HG2 H 1 1.438 0.014 . . . . . . 36 LYS HG . 15312 1 434 . 1 1 36 36 LYS HG3 H 1 1.438 0.014 . . . . . . 36 LYS HG . 15312 1 435 . 1 1 36 36 LYS HE2 H 1 2.924 0.004 . . . . . . 36 LYS HE . 15312 1 436 . 1 1 36 36 LYS HE3 H 1 2.924 0.004 . . . . . . 36 LYS HE . 15312 1 437 . 1 1 37 37 ASN N N 15 118.71 0.07 . . . . . . 37 ASN N . 15312 1 438 . 1 1 37 37 ASN H H 1 7.885 0.011 . . . . . . 37 ASN HN . 15312 1 439 . 1 1 37 37 ASN CA C 13 53.66 0.06 . . . . . . 37 ASN CA . 15312 1 440 . 1 1 37 37 ASN HA H 1 4.374 0.005 . . . . . . 37 ASN HA . 15312 1 441 . 1 1 37 37 ASN C C 13 179.67 0.00 . . . . . . 37 ASN CO . 15312 1 442 . 1 1 37 37 ASN CB C 13 37.28 0.07 . . . . . . 37 ASN CB . 15312 1 443 . 1 1 37 37 ASN HB2 H 1 3.199 0.006 . . . . . . 37 ASN HB1 . 15312 1 444 . 1 1 37 37 ASN HB3 H 1 2.606 0.002 . . . . . . 37 ASN HB2 . 15312 1 445 . 1 1 37 37 ASN ND2 N 15 111.37 0.00 . . . . . . 37 ASN ND2 . 15312 1 446 . 1 1 37 37 ASN HD21 H 1 7.478 0.000 . . . . . . 37 ASN HD21 . 15312 1 447 . 1 1 37 37 ASN HD22 H 1 6.768 0.000 . . . . . . 37 ASN HD22 . 15312 1 448 . 1 1 38 38 ILE N N 15 117.85 0.04 . . . . . . 38 ILE N . 15312 1 449 . 1 1 38 38 ILE H H 1 7.803 0.012 . . . . . . 38 ILE HN . 15312 1 450 . 1 1 38 38 ILE CA C 13 61.14 0.14 . . . . . . 38 ILE CA . 15312 1 451 . 1 1 38 38 ILE HA H 1 4.043 0.017 . . . . . . 38 ILE HA . 15312 1 452 . 1 1 38 38 ILE CB C 13 36.83 0.10 . . . . . . 38 ILE CB . 15312 1 453 . 1 1 38 38 ILE HB H 1 2.053 0.002 . . . . . . 38 ILE HB . 15312 1 454 . 1 1 38 38 ILE CG1 C 13 27.10 0.00 . . . . . . 38 ILE CG1 . 15312 1 455 . 1 1 38 38 ILE HG12 H 1 1.511 0.002 . . . . . . 38 ILE HG11 . 15312 1 456 . 1 1 38 38 ILE HG13 H 1 1.349 0.001 . . . . . . 38 ILE HG12 . 15312 1 457 . 1 1 38 38 ILE CG2 C 13 17.29 0.07 . . . . . . 38 ILE CG2 . 15312 1 458 . 1 1 38 38 ILE HG21 H 1 1.030 0.003 . . . . . . 38 ILE HG2 . 15312 1 459 . 1 1 38 38 ILE HG22 H 1 1.030 0.003 . . . . . . 38 ILE HG2 . 15312 1 460 . 1 1 38 38 ILE HG23 H 1 1.030 0.003 . . . . . . 38 ILE HG2 . 15312 1 461 . 1 1 38 38 ILE CD1 C 13 11.85 0.08 . . . . . . 38 ILE CD1 . 15312 1 462 . 1 1 38 38 ILE HD11 H 1 0.804 0.009 . . . . . . 38 ILE HD1 . 15312 1 463 . 1 1 38 38 ILE HD12 H 1 0.804 0.009 . . . . . . 38 ILE HD1 . 15312 1 464 . 1 1 38 38 ILE HD13 H 1 0.804 0.009 . . . . . . 38 ILE HD1 . 15312 1 465 . 1 1 39 39 LYS N N 15 127.29 0.10 . . . . . . 39 LYS N . 15312 1 466 . 1 1 39 39 LYS H H 1 8.473 0.038 . . . . . . 39 LYS HN . 15312 1 467 . 1 1 39 39 LYS CA C 13 55.51 0.09 . . . . . . 39 LYS CA . 15312 1 468 . 1 1 39 39 LYS HA H 1 4.455 0.007 . . . . . . 39 LYS HA . 15312 1 469 . 1 1 39 39 LYS CB C 13 33.88 0.16 . . . . . . 39 LYS CB . 15312 1 470 . 1 1 39 39 LYS HB2 H 1 1.932 0.002 . . . . . . 39 LYS HB1 . 15312 1 471 . 1 1 39 39 LYS HB3 H 1 1.725 0.008 . . . . . . 39 LYS HB2 . 15312 1 472 . 1 1 39 39 LYS CG C 13 24.55 0.00 . . . . . . 39 LYS CG . 15312 1 473 . 1 1 39 39 LYS HG2 H 1 1.388 0.000 . . . . . . 39 LYS HG1 . 15312 1 474 . 1 1 39 39 LYS HG3 H 1 1.359 0.000 . . . . . . 39 LYS HG2 . 15312 1 475 . 1 1 39 39 LYS CD C 13 28.68 0.00 . . . . . . 39 LYS CD . 15312 1 476 . 1 1 39 39 LYS CE C 13 41.98 0.17 . . . . . . 39 LYS CE . 15312 1 477 . 1 1 39 39 LYS HD2 H 1 1.632 0.000 . . . . . . 39 LYS HD . 15312 1 478 . 1 1 39 39 LYS HD3 H 1 1.632 0.000 . . . . . . 39 LYS HD . 15312 1 479 . 1 1 39 39 LYS HE2 H 1 2.988 0.004 . . . . . . 39 LYS HE . 15312 1 480 . 1 1 39 39 LYS HE3 H 1 2.988 0.004 . . . . . . 39 LYS HE . 15312 1 481 . 1 1 40 40 ASN N N 15 120.34 0.05 . . . . . . 40 ASN N . 15312 1 482 . 1 1 40 40 ASN H H 1 7.753 0.005 . . . . . . 40 ASN HN . 15312 1 483 . 1 1 40 40 ASN CA C 13 53.53 0.07 . . . . . . 40 ASN CA . 15312 1 484 . 1 1 40 40 ASN HA H 1 4.697 0.004 . . . . . . 40 ASN HA . 15312 1 485 . 1 1 40 40 ASN C C 13 175.24 0.00 . . . . . . 40 ASN CO . 15312 1 486 . 1 1 40 40 ASN CB C 13 39.60 0.09 . . . . . . 40 ASN CB . 15312 1 487 . 1 1 40 40 ASN ND2 N 15 113.32 0.00 . . . . . . 40 ASN ND2 . 15312 1 488 . 1 1 40 40 ASN HD21 H 1 7.797 0.000 . . . . . . 40 ASN HD21 . 15312 1 489 . 1 1 40 40 ASN HD22 H 1 7.127 0.000 . . . . . . 40 ASN HD22 . 15312 1 490 . 1 1 40 40 ASN HB2 H 1 2.877 0.002 . . . . . . 40 ASN HB . 15312 1 491 . 1 1 40 40 ASN HB3 H 1 2.877 0.002 . . . . . . 40 ASN HB . 15312 1 492 . 1 1 41 41 LYS N N 15 128.31 0.05 . . . . . . 41 LYS N . 15312 1 493 . 1 1 41 41 LYS H H 1 8.830 0.008 . . . . . . 41 LYS HN . 15312 1 494 . 1 1 41 41 LYS CA C 13 59.46 0.09 . . . . . . 41 LYS CA . 15312 1 495 . 1 1 41 41 LYS HA H 1 3.995 0.004 . . . . . . 41 LYS HA . 15312 1 496 . 1 1 41 41 LYS C C 13 177.65 0.00 . . . . . . 41 LYS CO . 15312 1 497 . 1 1 41 41 LYS CB C 13 32.49 0.03 . . . . . . 41 LYS CB . 15312 1 498 . 1 1 41 41 LYS HB2 H 1 1.885 0.005 . . . . . . 41 LYS HB1 . 15312 1 499 . 1 1 41 41 LYS HB3 H 1 1.820 0.002 . . . . . . 41 LYS HB2 . 15312 1 500 . 1 1 41 41 LYS CG C 13 24.71 0.06 . . . . . . 41 LYS CG . 15312 1 501 . 1 1 41 41 LYS HG2 H 1 1.500 0.001 . . . . . . 41 LYS HG1 . 15312 1 502 . 1 1 41 41 LYS HG3 H 1 1.438 0.004 . . . . . . 41 LYS HG2 . 15312 1 503 . 1 1 41 41 LYS CD C 13 29.15 0.00 . . . . . . 41 LYS CD . 15312 1 504 . 1 1 41 41 LYS CE C 13 42.13 0.00 . . . . . . 41 LYS CE . 15312 1 505 . 1 1 41 41 LYS HD2 H 1 1.669 0.001 . . . . . . 41 LYS HD . 15312 1 506 . 1 1 41 41 LYS HD3 H 1 1.669 0.001 . . . . . . 41 LYS HD . 15312 1 507 . 1 1 41 41 LYS HE2 H 1 2.984 0.005 . . . . . . 41 LYS HE . 15312 1 508 . 1 1 41 41 LYS HE3 H 1 2.984 0.005 . . . . . . 41 LYS HE . 15312 1 509 . 1 1 42 42 ASP N N 15 118.53 0.07 . . . . . . 42 ASP N . 15312 1 510 . 1 1 42 42 ASP H H 1 7.856 0.009 . . . . . . 42 ASP HN . 15312 1 511 . 1 1 42 42 ASP CA C 13 57.38 0.09 . . . . . . 42 ASP CA . 15312 1 512 . 1 1 42 42 ASP HA H 1 4.355 0.005 . . . . . . 42 ASP HA . 15312 1 513 . 1 1 42 42 ASP C C 13 179.09 0.00 . . . . . . 42 ASP CO . 15312 1 514 . 1 1 42 42 ASP CB C 13 38.97 0.10 . . . . . . 42 ASP CB . 15312 1 515 . 1 1 42 42 ASP HB2 H 1 2.130 0.003 . . . . . . 42 ASP HB1 . 15312 1 516 . 1 1 42 42 ASP HB3 H 1 1.839 0.005 . . . . . . 42 ASP HB2 . 15312 1 517 . 1 1 43 43 ALA N N 15 123.19 0.04 . . . . . . 43 ALA N . 15312 1 518 . 1 1 43 43 ALA H H 1 8.204 0.011 . . . . . . 43 ALA HN . 15312 1 519 . 1 1 43 43 ALA CA C 13 55.39 0.09 . . . . . . 43 ALA CA . 15312 1 520 . 1 1 43 43 ALA HA H 1 4.189 0.008 . . . . . . 43 ALA HA . 15312 1 521 . 1 1 43 43 ALA C C 13 179.29 0.00 . . . . . . 43 ALA CO . 15312 1 522 . 1 1 43 43 ALA CB C 13 19.08 0.16 . . . . . . 43 ALA CB . 15312 1 523 . 1 1 43 43 ALA HB1 H 1 1.636 0.011 . . . . . . 43 ALA HB . 15312 1 524 . 1 1 43 43 ALA HB2 H 1 1.636 0.011 . . . . . . 43 ALA HB . 15312 1 525 . 1 1 43 43 ALA HB3 H 1 1.636 0.011 . . . . . . 43 ALA HB . 15312 1 526 . 1 1 44 44 TYR N N 15 119.61 0.05 . . . . . . 44 TYR N . 15312 1 527 . 1 1 44 44 TYR H H 1 8.368 0.011 . . . . . . 44 TYR HN . 15312 1 528 . 1 1 44 44 TYR CA C 13 62.28 0.05 . . . . . . 44 TYR CA . 15312 1 529 . 1 1 44 44 TYR HA H 1 4.001 0.006 . . . . . . 44 TYR HA . 15312 1 530 . 1 1 44 44 TYR C C 13 176.96 0.00 . . . . . . 44 TYR CO . 15312 1 531 . 1 1 44 44 TYR CB C 13 39.11 0.10 . . . . . . 44 TYR CB . 15312 1 532 . 1 1 44 44 TYR HB2 H 1 2.985 0.018 . . . . . . 44 TYR HB1 . 15312 1 533 . 1 1 44 44 TYR HB3 H 1 3.381 0.004 . . . . . . 44 TYR HB2 . 15312 1 534 . 1 1 44 44 TYR CD1 C 13 133.18 0.05 . . . . . . 44 TYR CD . 15312 1 535 . 1 1 44 44 TYR CD2 C 13 133.18 0.05 . . . . . . 44 TYR CD . 15312 1 536 . 1 1 44 44 TYR HD1 H 1 7.020 0.003 . . . . . . 44 TYR HD . 15312 1 537 . 1 1 44 44 TYR HD2 H 1 7.020 0.003 . . . . . . 44 TYR HD . 15312 1 538 . 1 1 44 44 TYR CE1 C 13 118.62 0.05 . . . . . . 44 TYR CE . 15312 1 539 . 1 1 44 44 TYR CE2 C 13 118.62 0.05 . . . . . . 44 TYR CE . 15312 1 540 . 1 1 44 44 TYR HE1 H 1 6.878 0.003 . . . . . . 44 TYR HE . 15312 1 541 . 1 1 44 44 TYR HE2 H 1 6.878 0.003 . . . . . . 44 TYR HE . 15312 1 542 . 1 1 45 45 GLU N N 15 116.90 0.02 . . . . . . 45 GLU N . 15312 1 543 . 1 1 45 45 GLU H H 1 8.776 0.012 . . . . . . 45 GLU HN . 15312 1 544 . 1 1 45 45 GLU CA C 13 59.32 0.06 . . . . . . 45 GLU CA . 15312 1 545 . 1 1 45 45 GLU HA H 1 4.000 0.003 . . . . . . 45 GLU HA . 15312 1 546 . 1 1 45 45 GLU C C 13 179.94 0.00 . . . . . . 45 GLU CO . 15312 1 547 . 1 1 45 45 GLU CB C 13 29.76 0.12 . . . . . . 45 GLU CB . 15312 1 548 . 1 1 45 45 GLU HB2 H 1 2.262 0.000 . . . . . . 45 GLU HB1 . 15312 1 549 . 1 1 45 45 GLU HB3 H 1 2.173 0.000 . . . . . . 45 GLU HB2 . 15312 1 550 . 1 1 45 45 GLU CG C 13 37.11 0.03 . . . . . . 45 GLU CG . 15312 1 551 . 1 1 45 45 GLU HG2 H 1 2.703 0.001 . . . . . . 45 GLU HG1 . 15312 1 552 . 1 1 45 45 GLU HG3 H 1 2.526 0.003 . . . . . . 45 GLU HG2 . 15312 1 553 . 1 1 46 46 TYR N N 15 121.18 0.03 . . . . . . 46 TYR N . 15312 1 554 . 1 1 46 46 TYR H H 1 8.524 0.012 . . . . . . 46 TYR HN . 15312 1 555 . 1 1 46 46 TYR CA C 13 62.66 0.07 . . . . . . 46 TYR CA . 15312 1 556 . 1 1 46 46 TYR HA H 1 4.333 0.001 . . . . . . 46 TYR HA . 15312 1 557 . 1 1 46 46 TYR C C 13 177.04 0.00 . . . . . . 46 TYR CO . 15312 1 558 . 1 1 46 46 TYR CB C 13 38.39 0.05 . . . . . . 46 TYR CB . 15312 1 559 . 1 1 46 46 TYR HB2 H 1 3.521 0.000 . . . . . . 46 TYR HB1 . 15312 1 560 . 1 1 46 46 TYR HB3 H 1 2.794 0.000 . . . . . . 46 TYR HB2 . 15312 1 561 . 1 1 46 46 TYR CD1 C 13 132.46 0.04 . . . . . . 46 TYR CD . 15312 1 562 . 1 1 46 46 TYR CD2 C 13 132.46 0.04 . . . . . . 46 TYR CD . 15312 1 563 . 1 1 46 46 TYR HD1 H 1 7.077 0.000 . . . . . . 46 TYR HD . 15312 1 564 . 1 1 46 46 TYR HD2 H 1 7.077 0.000 . . . . . . 46 TYR HD . 15312 1 565 . 1 1 46 46 TYR CE1 C 13 117.29 0.00 . . . . . . 46 TYR CE . 15312 1 566 . 1 1 46 46 TYR CE2 C 13 117.29 0.00 . . . . . . 46 TYR CE . 15312 1 567 . 1 1 46 46 TYR HE1 H 1 6.789 0.000 . . . . . . 46 TYR HE . 15312 1 568 . 1 1 46 46 TYR HE2 H 1 6.789 0.000 . . . . . . 46 TYR HE . 15312 1 569 . 1 1 47 47 ALA N N 15 119.79 0.04 . . . . . . 47 ALA N . 15312 1 570 . 1 1 47 47 ALA H H 1 8.319 0.010 . . . . . . 47 ALA HN . 15312 1 571 . 1 1 47 47 ALA CA C 13 55.49 0.05 . . . . . . 47 ALA CA . 15312 1 572 . 1 1 47 47 ALA HA H 1 4.013 0.015 . . . . . . 47 ALA HA . 15312 1 573 . 1 1 47 47 ALA C C 13 178.64 0.00 . . . . . . 47 ALA CO . 15312 1 574 . 1 1 47 47 ALA CB C 13 18.74 0.08 . . . . . . 47 ALA CB . 15312 1 575 . 1 1 47 47 ALA HB1 H 1 1.735 0.020 . . . . . . 47 ALA HB . 15312 1 576 . 1 1 47 47 ALA HB2 H 1 1.735 0.020 . . . . . . 47 ALA HB . 15312 1 577 . 1 1 47 47 ALA HB3 H 1 1.735 0.020 . . . . . . 47 ALA HB . 15312 1 578 . 1 1 48 48 LYS N N 15 117.91 0.08 . . . . . . 48 LYS N . 15312 1 579 . 1 1 48 48 LYS H H 1 7.965 0.010 . . . . . . 48 LYS HN . 15312 1 580 . 1 1 48 48 LYS CA C 13 59.15 0.03 . . . . . . 48 LYS CA . 15312 1 581 . 1 1 48 48 LYS HA H 1 2.981 0.014 . . . . . . 48 LYS HA . 15312 1 582 . 1 1 48 48 LYS C C 13 177.27 0.00 . . . . . . 48 LYS CO . 15312 1 583 . 1 1 48 48 LYS CB C 13 31.76 0.09 . . . . . . 48 LYS CB . 15312 1 584 . 1 1 48 48 LYS HB2 H 1 1.647 0.000 . . . . . . 48 LYS HB1 . 15312 1 585 . 1 1 48 48 LYS HB3 H 1 1.277 0.000 . . . . . . 48 LYS HB2 . 15312 1 586 . 1 1 48 48 LYS CG C 13 24.32 0.00 . . . . . . 48 LYS CG . 15312 1 587 . 1 1 48 48 LYS HG2 H 1 0.971 0.000 . . . . . . 48 LYS HG1 . 15312 1 588 . 1 1 48 48 LYS HG3 H 1 0.666 0.000 . . . . . . 48 LYS HG2 . 15312 1 589 . 1 1 48 48 LYS CD C 13 28.52 0.00 . . . . . . 48 LYS CD . 15312 1 590 . 1 1 48 48 LYS HD2 H 1 1.263 0.000 . . . . . . 48 LYS HD1 . 15312 1 591 . 1 1 48 48 LYS HD3 H 1 0.977 0.000 . . . . . . 48 LYS HD2 . 15312 1 592 . 1 1 48 48 LYS CE C 13 42.16 0.00 . . . . . . 48 LYS CE . 15312 1 593 . 1 1 48 48 LYS HE2 H 1 2.978 0.000 . . . . . . 48 LYS HE1 . 15312 1 594 . 1 1 48 48 LYS HE3 H 1 2.759 0.000 . . . . . . 48 LYS HE . 15312 1 595 . 1 1 49 49 LYS N N 15 119.30 0.06 . . . . . . 49 LYS N . 15312 1 596 . 1 1 49 49 LYS H H 1 7.685 0.008 . . . . . . 49 LYS HN . 15312 1 597 . 1 1 49 49 LYS CA C 13 59.28 0.08 . . . . . . 49 LYS CA . 15312 1 598 . 1 1 49 49 LYS HA H 1 4.035 0.006 . . . . . . 49 LYS HA . 15312 1 599 . 1 1 49 49 LYS C C 13 180.28 0.00 . . . . . . 49 LYS CO . 15312 1 600 . 1 1 49 49 LYS CB C 13 32.08 0.05 . . . . . . 49 LYS CB . 15312 1 601 . 1 1 49 49 LYS CG C 13 24.70 0.00 . . . . . . 49 LYS CG . 15312 1 602 . 1 1 49 49 LYS HG2 H 1 1.456 0.000 . . . . . . 49 LYS HG1 . 15312 1 603 . 1 1 49 49 LYS HG3 H 1 1.279 0.000 . . . . . . 49 LYS HG2 . 15312 1 604 . 1 1 49 49 LYS CD C 13 29.36 0.00 . . . . . . 49 LYS CD . 15312 1 605 . 1 1 49 49 LYS HD2 H 1 1.746 0.000 . . . . . . 49 LYS HD1 . 15312 1 606 . 1 1 49 49 LYS HD3 H 1 1.657 0.000 . . . . . . 49 LYS HD2 . 15312 1 607 . 1 1 49 49 LYS CE C 13 41.85 0.00 . . . . . . 49 LYS CE . 15312 1 608 . 1 1 49 49 LYS HB2 H 1 1.767 0.000 . . . . . . 49 LYS HB . 15312 1 609 . 1 1 49 49 LYS HB3 H 1 1.767 0.000 . . . . . . 49 LYS HB . 15312 1 610 . 1 1 49 49 LYS HE2 H 1 2.992 0.000 . . . . . . 49 LYS HE . 15312 1 611 . 1 1 49 49 LYS HE3 H 1 2.992 0.000 . . . . . . 49 LYS HE . 15312 1 612 . 1 1 50 50 LEU N N 15 122.30 0.07 . . . . . . 50 LEU N . 15312 1 613 . 1 1 50 50 LEU H H 1 8.182 0.007 . . . . . . 50 LEU HN . 15312 1 614 . 1 1 50 50 LEU CA C 13 58.73 0.04 . . . . . . 50 LEU CA . 15312 1 615 . 1 1 50 50 LEU HA H 1 3.624 0.000 . . . . . . 50 LEU HA . 15312 1 616 . 1 1 50 50 LEU C C 13 178.22 0.00 . . . . . . 50 LEU CO . 15312 1 617 . 1 1 50 50 LEU CB C 13 42.46 0.06 . . . . . . 50 LEU CB . 15312 1 618 . 1 1 50 50 LEU HB2 H 1 2.008 0.000 . . . . . . 50 LEU HB1 . 15312 1 619 . 1 1 50 50 LEU HB3 H 1 1.009 0.000 . . . . . . 50 LEU HB2 . 15312 1 620 . 1 1 50 50 LEU CG C 13 28.96 0.00 . . . . . . 50 LEU CG . 15312 1 621 . 1 1 50 50 LEU CD1 C 13 26.15 0.00 . . . . . . 50 LEU CD1 . 15312 1 622 . 1 1 50 50 LEU HD11 H 1 0.790 0.000 . . . . . . 50 LEU HD1 . 15312 1 623 . 1 1 50 50 LEU HD12 H 1 0.790 0.000 . . . . . . 50 LEU HD1 . 15312 1 624 . 1 1 50 50 LEU HD13 H 1 0.790 0.000 . . . . . . 50 LEU HD1 . 15312 1 625 . 1 1 50 50 LEU CD2 C 13 22.53 0.00 . . . . . . 50 LEU CD2 . 15312 1 626 . 1 1 50 50 LEU HD21 H 1 0.581 0.000 . . . . . . 50 LEU HD2 . 15312 1 627 . 1 1 50 50 LEU HD22 H 1 0.581 0.000 . . . . . . 50 LEU HD2 . 15312 1 628 . 1 1 50 50 LEU HD23 H 1 0.581 0.000 . . . . . . 50 LEU HD2 . 15312 1 629 . 1 1 51 51 VAL N N 15 117.37 0.09 . . . . . . 51 VAL N . 15312 1 630 . 1 1 51 51 VAL H H 1 7.919 0.007 . . . . . . 51 VAL HN . 15312 1 631 . 1 1 51 51 VAL CA C 13 67.53 0.12 . . . . . . 51 VAL CA . 15312 1 632 . 1 1 51 51 VAL HA H 1 3.234 0.005 . . . . . . 51 VAL HA . 15312 1 633 . 1 1 51 51 VAL C C 13 176.70 0.00 . . . . . . 51 VAL CO . 15312 1 634 . 1 1 51 51 VAL CB C 13 31.69 0.23 . . . . . . 51 VAL CB . 15312 1 635 . 1 1 51 51 VAL HB H 1 1.894 0.004 . . . . . . 51 VAL HB . 15312 1 636 . 1 1 51 51 VAL CG1 C 13 24.46 0.00 . . . . . . 51 VAL CG1 . 15312 1 637 . 1 1 51 51 VAL HG11 H 1 1.105 0.004 . . . . . . 51 VAL HG1 . 15312 1 638 . 1 1 51 51 VAL HG12 H 1 1.105 0.004 . . . . . . 51 VAL HG1 . 15312 1 639 . 1 1 51 51 VAL HG13 H 1 1.105 0.004 . . . . . . 51 VAL HG1 . 15312 1 640 . 1 1 51 51 VAL CG2 C 13 21.57 0.12 . . . . . . 51 VAL CG2 . 15312 1 641 . 1 1 51 51 VAL HG21 H 1 0.678 0.002 . . . . . . 51 VAL HG2 . 15312 1 642 . 1 1 51 51 VAL HG22 H 1 0.678 0.002 . . . . . . 51 VAL HG2 . 15312 1 643 . 1 1 51 51 VAL HG23 H 1 0.678 0.002 . . . . . . 51 VAL HG2 . 15312 1 644 . 1 1 52 52 ASP N N 15 117.75 0.08 . . . . . . 52 ASP N . 15312 1 645 . 1 1 52 52 ASP H H 1 8.712 0.008 . . . . . . 52 ASP HN . 15312 1 646 . 1 1 52 52 ASP CA C 13 57.48 0.06 . . . . . . 52 ASP CA . 15312 1 647 . 1 1 52 52 ASP HA H 1 4.052 0.003 . . . . . . 52 ASP HA . 15312 1 648 . 1 1 52 52 ASP C C 13 179.28 0.00 . . . . . . 52 ASP CO . 15312 1 649 . 1 1 52 52 ASP CB C 13 40.54 0.06 . . . . . . 52 ASP CB . 15312 1 650 . 1 1 52 52 ASP HB2 H 1 2.613 0.004 . . . . . . 52 ASP HB1 . 15312 1 651 . 1 1 52 52 ASP HB3 H 1 2.434 0.008 . . . . . . 52 ASP HB2 . 15312 1 652 . 1 1 53 53 THR N N 15 114.80 0.06 . . . . . . 53 THR N . 15312 1 653 . 1 1 53 53 THR H H 1 7.936 0.009 . . . . . . 53 THR HN . 15312 1 654 . 1 1 53 53 THR CA C 13 67.59 0.05 . . . . . . 53 THR CA . 15312 1 655 . 1 1 53 53 THR HA H 1 3.785 0.013 . . . . . . 53 THR HA . 15312 1 656 . 1 1 53 53 THR C C 13 175.12 0.00 . . . . . . 53 THR CO . 15312 1 657 . 1 1 53 53 THR CB C 13 68.54 0.10 . . . . . . 53 THR CB . 15312 1 658 . 1 1 53 53 THR HB H 1 4.136 0.018 . . . . . . 53 THR HB . 15312 1 659 . 1 1 53 53 THR CG2 C 13 21.58 0.17 . . . . . . 53 THR CG2 . 15312 1 660 . 1 1 53 53 THR HG21 H 1 1.195 0.009 . . . . . . 53 THR HG2 . 15312 1 661 . 1 1 53 53 THR HG22 H 1 1.195 0.009 . . . . . . 53 THR HG2 . 15312 1 662 . 1 1 53 53 THR HG23 H 1 1.195 0.009 . . . . . . 53 THR HG2 . 15312 1 663 . 1 1 54 54 ALA N N 15 122.97 0.05 . . . . . . 54 ALA N . 15312 1 664 . 1 1 54 54 ALA H H 1 7.928 0.011 . . . . . . 54 ALA HN . 15312 1 665 . 1 1 54 54 ALA CA C 13 54.94 0.09 . . . . . . 54 ALA CA . 15312 1 666 . 1 1 54 54 ALA HA H 1 3.738 0.005 . . . . . . 54 ALA HA . 15312 1 667 . 1 1 54 54 ALA C C 13 177.60 0.00 . . . . . . 54 ALA CO . 15312 1 668 . 1 1 54 54 ALA CB C 13 18.33 0.09 . . . . . . 54 ALA CB . 15312 1 669 . 1 1 54 54 ALA HB1 H 1 1.269 0.012 . . . . . . 54 ALA HB . 15312 1 670 . 1 1 54 54 ALA HB2 H 1 1.269 0.012 . . . . . . 54 ALA HB . 15312 1 671 . 1 1 54 54 ALA HB3 H 1 1.269 0.012 . . . . . . 54 ALA HB . 15312 1 672 . 1 1 55 55 VAL N N 15 112.90 0.08 . . . . . . 55 VAL N . 15312 1 673 . 1 1 55 55 VAL H H 1 8.316 0.012 . . . . . . 55 VAL HN . 15312 1 674 . 1 1 55 55 VAL CA C 13 66.38 0.06 . . . . . . 55 VAL CA . 15312 1 675 . 1 1 55 55 VAL HA H 1 3.392 0.004 . . . . . . 55 VAL HA . 15312 1 676 . 1 1 55 55 VAL C C 13 174.43 0.00 . . . . . . 55 VAL CO . 15312 1 677 . 1 1 55 55 VAL CB C 13 31.75 0.07 . . . . . . 55 VAL CB . 15312 1 678 . 1 1 55 55 VAL HB H 1 1.746 0.005 . . . . . . 55 VAL HB . 15312 1 679 . 1 1 55 55 VAL CG1 C 13 20.80 0.12 . . . . . . 55 VAL CG1 . 15312 1 680 . 1 1 55 55 VAL HG11 H 1 0.522 0.011 . . . . . . 55 VAL HG1 . 15312 1 681 . 1 1 55 55 VAL HG12 H 1 0.522 0.011 . . . . . . 55 VAL HG1 . 15312 1 682 . 1 1 55 55 VAL HG13 H 1 0.522 0.011 . . . . . . 55 VAL HG1 . 15312 1 683 . 1 1 55 55 VAL CG2 C 13 21.58 0.10 . . . . . . 55 VAL CG2 . 15312 1 684 . 1 1 55 55 VAL HG21 H 1 0.157 0.010 . . . . . . 55 VAL HG2 . 15312 1 685 . 1 1 55 55 VAL HG22 H 1 0.157 0.010 . . . . . . 55 VAL HG2 . 15312 1 686 . 1 1 55 55 VAL HG23 H 1 0.157 0.010 . . . . . . 55 VAL HG2 . 15312 1 687 . 1 1 56 56 ARG N N 15 117.93 0.07 . . . . . . 56 ARG N . 15312 1 688 . 1 1 56 56 ARG H H 1 7.807 0.009 . . . . . . 56 ARG HN . 15312 1 689 . 1 1 56 56 ARG CA C 13 58.71 0.07 . . . . . . 56 ARG CA . 15312 1 690 . 1 1 56 56 ARG HA H 1 3.940 0.002 . . . . . . 56 ARG HA . 15312 1 691 . 1 1 56 56 ARG C C 13 177.97 0.00 . . . . . . 56 ARG CO . 15312 1 692 . 1 1 56 56 ARG CB C 13 30.22 0.10 . . . . . . 56 ARG CB . 15312 1 693 . 1 1 56 56 ARG HB2 H 1 1.789 0.005 . . . . . . 56 ARG HB1 . 15312 1 694 . 1 1 56 56 ARG HB3 H 1 1.522 0.005 . . . . . . 56 ARG HB2 . 15312 1 695 . 1 1 56 56 ARG CG C 13 27.34 0.07 . . . . . . 56 ARG CG . 15312 1 696 . 1 1 56 56 ARG HG2 H 1 1.292 0.003 . . . . . . 56 ARG HG1 . 15312 1 697 . 1 1 56 56 ARG HG3 H 1 1.110 0.003 . . . . . . 56 ARG HG2 . 15312 1 698 . 1 1 56 56 ARG CD C 13 43.18 0.06 . . . . . . 56 ARG CD . 15312 1 699 . 1 1 56 56 ARG HD2 H 1 3.042 0.004 . . . . . . 56 ARG HD . 15312 1 700 . 1 1 56 56 ARG HD3 H 1 3.042 0.004 . . . . . . 56 ARG HD . 15312 1 701 . 1 1 57 57 HIS N N 15 113.64 0.14 . . . . . . 57 HIS N . 15312 1 702 . 1 1 57 57 HIS H H 1 7.265 0.012 . . . . . . 57 HIS HN . 15312 1 703 . 1 1 57 57 HIS CA C 13 54.69 0.06 . . . . . . 57 HIS CA . 15312 1 704 . 1 1 57 57 HIS HA H 1 4.897 0.003 . . . . . . 57 HIS HA . 15312 1 705 . 1 1 57 57 HIS C C 13 176.04 0.00 . . . . . . 57 HIS CO . 15312 1 706 . 1 1 57 57 HIS CB C 13 27.67 0.06 . . . . . . 57 HIS CB . 15312 1 707 . 1 1 57 57 HIS HB2 H 1 2.748 0.025 . . . . . . 57 HIS HB1 . 15312 1 708 . 1 1 57 57 HIS HB3 H 1 2.208 0.013 . . . . . . 57 HIS HB2 . 15312 1 709 . 1 1 57 57 HIS CE1 C 13 138.03 0.00 . . . . . . 57 HIS CE1 . 15312 1 710 . 1 1 57 57 HIS HE1 H 1 7.582 0.000 . . . . . . 57 HIS HE1 . 15312 1 711 . 1 1 58 58 ILE N N 15 123.14 0.04 . . . . . . 58 ILE N . 15312 1 712 . 1 1 58 58 ILE H H 1 7.043 0.010 . . . . . . 58 ILE HN . 15312 1 713 . 1 1 58 58 ILE CA C 13 62.75 0.05 . . . . . . 58 ILE CA . 15312 1 714 . 1 1 58 58 ILE HA H 1 4.110 0.005 . . . . . . 58 ILE HA . 15312 1 715 . 1 1 58 58 ILE C C 13 174.82 0.00 . . . . . . 58 ILE CO . 15312 1 716 . 1 1 58 58 ILE CB C 13 38.41 0.09 . . . . . . 58 ILE CB . 15312 1 717 . 1 1 58 58 ILE HB H 1 2.566 0.005 . . . . . . 58 ILE HB . 15312 1 718 . 1 1 58 58 ILE HG12 H 1 1.575 0.000 . . . . . . 58 ILE HG11 . 15312 1 719 . 1 1 58 58 ILE HG13 H 1 1.538 0.000 . . . . . . 58 ILE HG12 . 15312 1 720 . 1 1 58 58 ILE CG2 C 13 19.32 0.06 . . . . . . 58 ILE CG2 . 15312 1 721 . 1 1 58 58 ILE HG21 H 1 1.196 0.001 . . . . . . 58 ILE HG2 . 15312 1 722 . 1 1 58 58 ILE HG22 H 1 1.196 0.001 . . . . . . 58 ILE HG2 . 15312 1 723 . 1 1 58 58 ILE HG23 H 1 1.196 0.001 . . . . . . 58 ILE HG2 . 15312 1 724 . 1 1 58 58 ILE CD1 C 13 13.65 0.11 . . . . . . 58 ILE CD1 . 15312 1 725 . 1 1 58 58 ILE HD11 H 1 0.922 0.009 . . . . . . 58 ILE HD1 . 15312 1 726 . 1 1 58 58 ILE HD12 H 1 0.922 0.009 . . . . . . 58 ILE HD1 . 15312 1 727 . 1 1 58 58 ILE HD13 H 1 0.922 0.009 . . . . . . 58 ILE HD1 . 15312 1 728 . 1 1 59 59 GLU N N 15 120.97 0.05 . . . . . . 59 GLU N . 15312 1 729 . 1 1 59 59 GLU H H 1 8.221 0.010 . . . . . . 59 GLU HN . 15312 1 730 . 1 1 59 59 GLU CA C 13 59.83 0.07 . . . . . . 59 GLU CA . 15312 1 731 . 1 1 59 59 GLU HA H 1 4.239 0.002 . . . . . . 59 GLU HA . 15312 1 732 . 1 1 59 59 GLU C C 13 180.19 0.00 . . . . . . 59 GLU CO . 15312 1 733 . 1 1 59 59 GLU CB C 13 29.41 0.03 . . . . . . 59 GLU CB . 15312 1 734 . 1 1 59 59 GLU CG C 13 37.09 0.04 . . . . . . 59 GLU CG . 15312 1 735 . 1 1 59 59 GLU HG2 H 1 2.413 0.002 . . . . . . 59 GLU HG1 . 15312 1 736 . 1 1 59 59 GLU HG3 H 1 2.345 0.003 . . . . . . 59 GLU HG2 . 15312 1 737 . 1 1 59 59 GLU HB2 H 1 2.071 0.010 . . . . . . 59 GLU HB . 15312 1 738 . 1 1 59 59 GLU HB3 H 1 2.071 0.010 . . . . . . 59 GLU HB . 15312 1 739 . 1 1 60 60 GLU N N 15 120.89 0.05 . . . . . . 60 GLU N . 15312 1 740 . 1 1 60 60 GLU H H 1 8.031 0.011 . . . . . . 60 GLU HN . 15312 1 741 . 1 1 60 60 GLU CA C 13 59.25 0.02 . . . . . . 60 GLU CA . 15312 1 742 . 1 1 60 60 GLU HA H 1 4.196 0.010 . . . . . . 60 GLU HA . 15312 1 743 . 1 1 60 60 GLU C C 13 179.46 0.00 . . . . . . 60 GLU CO . 15312 1 744 . 1 1 60 60 GLU CB C 13 31.00 0.06 . . . . . . 60 GLU CB . 15312 1 745 . 1 1 60 60 GLU CG C 13 37.18 0.00 . . . . . . 60 GLU CG . 15312 1 746 . 1 1 60 60 GLU HB2 H 1 2.293 0.027 . . . . . . 60 GLU HB . 15312 1 747 . 1 1 60 60 GLU HB3 H 1 2.293 0.027 . . . . . . 60 GLU HB . 15312 1 748 . 1 1 60 60 GLU HG2 H 1 2.487 0.036 . . . . . . 60 GLU HG . 15312 1 749 . 1 1 60 60 GLU HG3 H 1 2.487 0.036 . . . . . . 60 GLU HG . 15312 1 750 . 1 1 61 61 ILE N N 15 121.16 0.06 . . . . . . 61 ILE N . 15312 1 751 . 1 1 61 61 ILE H H 1 8.828 0.013 . . . . . . 61 ILE HN . 15312 1 752 . 1 1 61 61 ILE CA C 13 66.58 0.07 . . . . . . 61 ILE CA . 15312 1 753 . 1 1 61 61 ILE HA H 1 3.628 0.005 . . . . . . 61 ILE HA . 15312 1 754 . 1 1 61 61 ILE C C 13 177.20 0.00 . . . . . . 61 ILE CO . 15312 1 755 . 1 1 61 61 ILE CB C 13 38.35 0.07 . . . . . . 61 ILE CB . 15312 1 756 . 1 1 61 61 ILE HB H 1 2.001 0.014 . . . . . . 61 ILE HB . 15312 1 757 . 1 1 61 61 ILE CG1 C 13 31.52 0.00 . . . . . . 61 ILE CG1 . 15312 1 758 . 1 1 61 61 ILE CG2 C 13 18.10 0.10 . . . . . . 61 ILE CG2 . 15312 1 759 . 1 1 61 61 ILE HG21 H 1 1.127 0.009 . . . . . . 61 ILE HG2 . 15312 1 760 . 1 1 61 61 ILE HG22 H 1 1.127 0.009 . . . . . . 61 ILE HG2 . 15312 1 761 . 1 1 61 61 ILE HG23 H 1 1.127 0.009 . . . . . . 61 ILE HG2 . 15312 1 762 . 1 1 61 61 ILE CD1 C 13 14.68 0.00 . . . . . . 61 ILE CD1 . 15312 1 763 . 1 1 61 61 ILE HD11 H 1 0.847 0.062 . . . . . . 61 ILE HD1 . 15312 1 764 . 1 1 61 61 ILE HD12 H 1 0.847 0.062 . . . . . . 61 ILE HD1 . 15312 1 765 . 1 1 61 61 ILE HD13 H 1 0.847 0.062 . . . . . . 61 ILE HD1 . 15312 1 766 . 1 1 61 61 ILE HG12 H 1 0.785 0.000 . . . . . . 61 ILE HG1 . 15312 1 767 . 1 1 61 61 ILE HG13 H 1 0.785 0.000 . . . . . . 61 ILE HG1 . 15312 1 768 . 1 1 62 62 ASP N N 15 121.28 0.06 . . . . . . 62 ASP N . 15312 1 769 . 1 1 62 62 ASP H H 1 8.871 0.009 . . . . . . 62 ASP HN . 15312 1 770 . 1 1 62 62 ASP CA C 13 57.86 0.05 . . . . . . 62 ASP CA . 15312 1 771 . 1 1 62 62 ASP HA H 1 4.459 0.014 . . . . . . 62 ASP HA . 15312 1 772 . 1 1 62 62 ASP C C 13 178.96 0.00 . . . . . . 62 ASP CO . 15312 1 773 . 1 1 62 62 ASP CB C 13 39.36 0.07 . . . . . . 62 ASP CB . 15312 1 774 . 1 1 62 62 ASP HB2 H 1 2.762 0.006 . . . . . . 62 ASP HB1 . 15312 1 775 . 1 1 62 62 ASP HB3 H 1 2.510 0.002 . . . . . . 62 ASP HB2 . 15312 1 776 . 1 1 63 63 SER N N 15 114.64 0.07 . . . . . . 63 SER N . 15312 1 777 . 1 1 63 63 SER H H 1 7.686 0.011 . . . . . . 63 SER HN . 15312 1 778 . 1 1 63 63 SER CA C 13 61.92 0.04 . . . . . . 63 SER CA . 15312 1 779 . 1 1 63 63 SER HA H 1 4.384 0.006 . . . . . . 63 SER HA . 15312 1 780 . 1 1 63 63 SER C C 13 177.45 0.00 . . . . . . 63 SER CO . 15312 1 781 . 1 1 63 63 SER CB C 13 63.26 0.09 . . . . . . 63 SER CB . 15312 1 782 . 1 1 63 63 SER HB2 H 1 4.144 0.001 . . . . . . 63 SER HB1 . 15312 1 783 . 1 1 63 63 SER HB3 H 1 4.119 0.001 . . . . . . 63 SER HB2 . 15312 1 784 . 1 1 64 64 ILE N N 15 124.14 0.07 . . . . . . 64 ILE N . 15312 1 785 . 1 1 64 64 ILE H H 1 8.204 0.012 . . . . . . 64 ILE HN . 15312 1 786 . 1 1 64 64 ILE CA C 13 66.07 0.03 . . . . . . 64 ILE CA . 15312 1 787 . 1 1 64 64 ILE HA H 1 3.814 0.007 . . . . . . 64 ILE HA . 15312 1 788 . 1 1 64 64 ILE C C 13 178.11 0.00 . . . . . . 64 ILE CO . 15312 1 789 . 1 1 64 64 ILE CB C 13 38.67 0.11 . . . . . . 64 ILE CB . 15312 1 790 . 1 1 64 64 ILE HB H 1 2.301 0.001 . . . . . . 64 ILE HB . 15312 1 791 . 1 1 64 64 ILE CG1 C 13 29.91 0.00 . . . . . . 64 ILE CG1 . 15312 1 792 . 1 1 64 64 ILE CG2 C 13 18.27 0.00 . . . . . . 64 ILE CG2 . 15312 1 793 . 1 1 64 64 ILE HG21 H 1 1.021 0.003 . . . . . . 64 ILE HG2 . 15312 1 794 . 1 1 64 64 ILE HG22 H 1 1.021 0.003 . . . . . . 64 ILE HG2 . 15312 1 795 . 1 1 64 64 ILE HG23 H 1 1.021 0.003 . . . . . . 64 ILE HG2 . 15312 1 796 . 1 1 64 64 ILE CD1 C 13 14.59 0.00 . . . . . . 64 ILE CD1 . 15312 1 797 . 1 1 64 64 ILE HD11 H 1 0.985 0.000 . . . . . . 64 ILE HD1 . 15312 1 798 . 1 1 64 64 ILE HD12 H 1 0.985 0.000 . . . . . . 64 ILE HD1 . 15312 1 799 . 1 1 64 64 ILE HD13 H 1 0.985 0.000 . . . . . . 64 ILE HD1 . 15312 1 800 . 1 1 64 64 ILE HG12 H 1 1.325 0.000 . . . . . . 64 ILE HG11 . 15312 1 801 . 1 1 64 64 ILE HG13 H 1 1.174 0.000 . . . . . . 64 ILE HG1 . 15312 1 802 . 1 1 65 65 ILE N N 15 118.71 0.08 . . . . . . 65 ILE N . 15312 1 803 . 1 1 65 65 ILE H H 1 8.324 0.009 . . . . . . 65 ILE HN . 15312 1 804 . 1 1 65 65 ILE CA C 13 66.29 0.04 . . . . . . 65 ILE CA . 15312 1 805 . 1 1 65 65 ILE HA H 1 3.611 0.008 . . . . . . 65 ILE HA . 15312 1 806 . 1 1 65 65 ILE C C 13 178.64 0.00 . . . . . . 65 ILE CO . 15312 1 807 . 1 1 65 65 ILE CB C 13 38.35 0.08 . . . . . . 65 ILE CB . 15312 1 808 . 1 1 65 65 ILE HB H 1 2.088 0.003 . . . . . . 65 ILE HB . 15312 1 809 . 1 1 65 65 ILE CG1 C 13 30.60 0.00 . . . . . . 65 ILE CG1 . 15312 1 810 . 1 1 65 65 ILE CG2 C 13 18.35 0.06 . . . . . . 65 ILE CG2 . 15312 1 811 . 1 1 65 65 ILE HG21 H 1 0.911 0.003 . . . . . . 65 ILE HG2 . 15312 1 812 . 1 1 65 65 ILE HG22 H 1 0.911 0.003 . . . . . . 65 ILE HG2 . 15312 1 813 . 1 1 65 65 ILE HG23 H 1 0.911 0.003 . . . . . . 65 ILE HG2 . 15312 1 814 . 1 1 65 65 ILE CD1 C 13 16.69 0.00 . . . . . . 65 ILE CD1 . 15312 1 815 . 1 1 65 65 ILE HD11 H 1 0.747 0.015 . . . . . . 65 ILE HD1 . 15312 1 816 . 1 1 65 65 ILE HD12 H 1 0.747 0.015 . . . . . . 65 ILE HD1 . 15312 1 817 . 1 1 65 65 ILE HD13 H 1 0.747 0.015 . . . . . . 65 ILE HD1 . 15312 1 818 . 1 1 66 66 GLU N N 15 116.78 0.10 . . . . . . 66 GLU N . 15312 1 819 . 1 1 66 66 GLU H H 1 8.650 0.010 . . . . . . 66 GLU HN . 15312 1 820 . 1 1 66 66 GLU CA C 13 60.45 0.09 . . . . . . 66 GLU CA . 15312 1 821 . 1 1 66 66 GLU HA H 1 3.913 0.008 . . . . . . 66 GLU HA . 15312 1 822 . 1 1 66 66 GLU C C 13 178.70 0.00 . . . . . . 66 GLU CO . 15312 1 823 . 1 1 66 66 GLU CB C 13 30.03 0.08 . . . . . . 66 GLU CB . 15312 1 824 . 1 1 66 66 GLU HB2 H 1 2.310 0.000 . . . . . . 66 GLU HB1 . 15312 1 825 . 1 1 66 66 GLU HB3 H 1 2.176 0.000 . . . . . . 66 GLU HB2 . 15312 1 826 . 1 1 66 66 GLU CG C 13 38.54 0.03 . . . . . . 66 GLU CG . 15312 1 827 . 1 1 66 66 GLU HG2 H 1 2.740 0.006 . . . . . . 66 GLU HG1 . 15312 1 828 . 1 1 66 66 GLU HG3 H 1 2.349 0.007 . . . . . . 66 GLU HG2 . 15312 1 829 . 1 1 67 67 LYS N N 15 118.52 0.05 . . . . . . 67 LYS N . 15312 1 830 . 1 1 67 67 LYS H H 1 7.691 0.015 . . . . . . 67 LYS HN . 15312 1 831 . 1 1 67 67 LYS CA C 13 58.54 0.07 . . . . . . 67 LYS CA . 15312 1 832 . 1 1 67 67 LYS HA H 1 4.105 0.004 . . . . . . 67 LYS HA . 15312 1 833 . 1 1 67 67 LYS C C 13 177.60 0.00 . . . . . . 67 LYS CO . 15312 1 834 . 1 1 67 67 LYS CB C 13 32.33 0.02 . . . . . . 67 LYS CB . 15312 1 835 . 1 1 67 67 LYS HB2 H 1 1.985 0.001 . . . . . . 67 LYS HB1 . 15312 1 836 . 1 1 67 67 LYS HB3 H 1 1.779 0.000 . . . . . . 67 LYS HB2 . 15312 1 837 . 1 1 67 67 LYS CG C 13 25.12 0.00 . . . . . . 67 LYS CG . 15312 1 838 . 1 1 67 67 LYS HG2 H 1 1.575 0.006 . . . . . . 67 LYS HG1 . 15312 1 839 . 1 1 67 67 LYS HG3 H 1 1.399 0.008 . . . . . . 67 LYS HG2 . 15312 1 840 . 1 1 67 67 LYS CD C 13 29.10 0.00 . . . . . . 67 LYS CD . 15312 1 841 . 1 1 67 67 LYS CE C 13 42.33 0.00 . . . . . . 67 LYS CE . 15312 1 842 . 1 1 67 67 LYS HD2 H 1 1.705 0.010 . . . . . . 67 LYS HD . 15312 1 843 . 1 1 67 67 LYS HD3 H 1 1.705 0.010 . . . . . . 67 LYS HD . 15312 1 844 . 1 1 67 67 LYS HE2 H 1 3.002 0.007 . . . . . . 67 LYS HE . 15312 1 845 . 1 1 67 67 LYS HE3 H 1 3.002 0.007 . . . . . . 67 LYS HE . 15312 1 846 . 1 1 68 68 HIS N N 15 116.90 0.05 . . . . . . 68 HIS N . 15312 1 847 . 1 1 68 68 HIS H H 1 7.920 0.012 . . . . . . 68 HIS HN . 15312 1 848 . 1 1 68 68 HIS CA C 13 56.85 0.05 . . . . . . 68 HIS CA . 15312 1 849 . 1 1 68 68 HIS HA H 1 4.637 0.008 . . . . . . 68 HIS HA . 15312 1 850 . 1 1 68 68 HIS C C 13 174.20 0.00 . . . . . . 68 HIS CO . 15312 1 851 . 1 1 68 68 HIS CB C 13 31.43 0.05 . . . . . . 68 HIS CB . 15312 1 852 . 1 1 68 68 HIS HB2 H 1 3.529 0.000 . . . . . . 68 HIS HB1 . 15312 1 853 . 1 1 68 68 HIS HB3 H 1 2.701 0.000 . . . . . . 68 HIS HB2 . 15312 1 854 . 1 1 68 68 HIS CE1 C 13 137.74 0.00 . . . . . . 68 HIS CE1 . 15312 1 855 . 1 1 68 68 HIS HE1 H 1 8.240 0.000 . . . . . . 68 HIS HE1 . 15312 1 856 . 1 1 69 69 LEU N N 15 118.62 0.06 . . . . . . 69 LEU N . 15312 1 857 . 1 1 69 69 LEU H H 1 7.334 0.011 . . . . . . 69 LEU HN . 15312 1 858 . 1 1 69 69 LEU CA C 13 54.00 0.04 . . . . . . 69 LEU CA . 15312 1 859 . 1 1 69 69 LEU HA H 1 4.592 0.010 . . . . . . 69 LEU HA . 15312 1 860 . 1 1 69 69 LEU C C 13 177.27 0.00 . . . . . . 69 LEU CO . 15312 1 861 . 1 1 69 69 LEU CB C 13 42.73 0.08 . . . . . . 69 LEU CB . 15312 1 862 . 1 1 69 69 LEU HB2 H 1 2.057 0.000 . . . . . . 69 LEU HB1 . 15312 1 863 . 1 1 69 69 LEU HB3 H 1 1.975 0.000 . . . . . . 69 LEU HB2 . 15312 1 864 . 1 1 69 69 LEU CG C 13 25.95 0.00 . . . . . . 69 LEU CG . 15312 1 865 . 1 1 69 69 LEU HG H 1 2.207 0.000 . . . . . . 69 LEU HG . 15312 1 866 . 1 1 69 69 LEU HD11 H 1 0.982 0.001 . . . . . . 69 LEU HD1 . 15312 1 867 . 1 1 69 69 LEU HD12 H 1 0.982 0.001 . . . . . . 69 LEU HD1 . 15312 1 868 . 1 1 69 69 LEU HD13 H 1 0.982 0.001 . . . . . . 69 LEU HD1 . 15312 1 869 . 1 1 69 69 LEU HD21 H 1 0.934 0.000 . . . . . . 69 LEU HD2 . 15312 1 870 . 1 1 69 69 LEU HD22 H 1 0.934 0.000 . . . . . . 69 LEU HD2 . 15312 1 871 . 1 1 69 69 LEU HD23 H 1 0.934 0.000 . . . . . . 69 LEU HD2 . 15312 1 872 . 1 1 69 69 LEU CD1 C 13 23.71 0.12 . . . . . . 69 LEU CD . 15312 1 873 . 1 1 69 69 LEU CD2 C 13 23.71 0.12 . . . . . . 69 LEU CD . 15312 1 874 . 1 1 70 70 LYS N N 15 118.47 0.08 . . . . . . 70 LYS N . 15312 1 875 . 1 1 70 70 LYS H H 1 8.559 0.009 . . . . . . 70 LYS HN . 15312 1 876 . 1 1 70 70 LYS CA C 13 56.94 0.05 . . . . . . 70 LYS CA . 15312 1 877 . 1 1 70 70 LYS HA H 1 4.015 0.008 . . . . . . 70 LYS HA . 15312 1 878 . 1 1 70 70 LYS C C 13 176.31 0.00 . . . . . . 70 LYS CO . 15312 1 879 . 1 1 70 70 LYS CB C 13 30.30 0.09 . . . . . . 70 LYS CB . 15312 1 880 . 1 1 70 70 LYS CG C 13 25.11 0.06 . . . . . . 70 LYS CG . 15312 1 881 . 1 1 70 70 LYS CD C 13 29.05 0.12 . . . . . . 70 LYS CD . 15312 1 882 . 1 1 70 70 LYS CE C 13 42.22 0.15 . . . . . . 70 LYS CE . 15312 1 883 . 1 1 70 70 LYS HB2 H 1 1.901 0.007 . . . . . . 70 LYS HB . 15312 1 884 . 1 1 70 70 LYS HB3 H 1 1.901 0.007 . . . . . . 70 LYS HB . 15312 1 885 . 1 1 70 70 LYS HG2 H 1 1.338 0.004 . . . . . . 70 LYS HG . 15312 1 886 . 1 1 70 70 LYS HG3 H 1 1.338 0.004 . . . . . . 70 LYS HG . 15312 1 887 . 1 1 70 70 LYS HD2 H 1 1.675 0.002 . . . . . . 70 LYS HD . 15312 1 888 . 1 1 70 70 LYS HD3 H 1 1.675 0.002 . . . . . . 70 LYS HD . 15312 1 889 . 1 1 70 70 LYS HE2 H 1 2.998 0.007 . . . . . . 70 LYS HE . 15312 1 890 . 1 1 70 70 LYS HE3 H 1 2.998 0.007 . . . . . . 70 LYS HE . 15312 1 891 . 1 1 71 71 GLY N N 15 107.55 0.06 . . . . . . 71 GLY N . 15312 1 892 . 1 1 71 71 GLY H H 1 8.475 0.008 . . . . . . 71 GLY HN . 15312 1 893 . 1 1 71 71 GLY CA C 13 45.28 0.10 . . . . . . 71 GLY CA . 15312 1 894 . 1 1 71 71 GLY HA2 H 1 4.340 0.013 . . . . . . 71 GLY HA1 . 15312 1 895 . 1 1 71 71 GLY HA3 H 1 3.602 0.016 . . . . . . 71 GLY HA2 . 15312 1 896 . 1 1 71 71 GLY C C 13 175.00 0.00 . . . . . . 71 GLY CO . 15312 1 897 . 1 1 72 72 TRP N N 15 120.61 0.03 . . . . . . 72 TRP N . 15312 1 898 . 1 1 72 72 TRP H H 1 7.481 0.013 . . . . . . 72 TRP HN . 15312 1 899 . 1 1 72 72 TRP CA C 13 56.00 0.06 . . . . . . 72 TRP CA . 15312 1 900 . 1 1 72 72 TRP HA H 1 4.856 0.005 . . . . . . 72 TRP HA . 15312 1 901 . 1 1 72 72 TRP C C 13 175.53 0.00 . . . . . . 72 TRP CO . 15312 1 902 . 1 1 72 72 TRP CB C 13 30.95 0.07 . . . . . . 72 TRP CB . 15312 1 903 . 1 1 72 72 TRP HB2 H 1 3.282 0.011 . . . . . . 72 TRP HB1 . 15312 1 904 . 1 1 72 72 TRP HB3 H 1 3.244 0.026 . . . . . . 72 TRP HB2 . 15312 1 905 . 1 1 72 72 TRP CE3 C 13 119.66 0.00 . . . . . . 72 TRP CE3 . 15312 1 906 . 1 1 72 72 TRP HE3 H 1 7.412 0.000 . . . . . . 72 TRP HE3 . 15312 1 907 . 1 1 72 72 TRP CZ2 C 13 114.73 0.00 . . . . . . 72 TRP CZ2 . 15312 1 908 . 1 1 72 72 TRP HZ2 H 1 7.468 0.000 . . . . . . 72 TRP HZ2 . 15312 1 909 . 1 1 72 72 TRP CZ3 C 13 121.73 0.00 . . . . . . 72 TRP CZ3 . 15312 1 910 . 1 1 72 72 TRP HZ3 H 1 6.967 0.000 . . . . . . 72 TRP HZ3 . 15312 1 911 . 1 1 72 72 TRP CH2 C 13 124.68 0.00 . . . . . . 72 TRP CH2 . 15312 1 912 . 1 1 72 72 TRP HH2 H 1 7.163 0.000 . . . . . . 72 TRP HH2 . 15312 1 913 . 1 1 73 73 SER N N 15 114.25 0.06 . . . . . . 73 SER N . 15312 1 914 . 1 1 73 73 SER H H 1 7.719 0.012 . . . . . . 73 SER HN . 15312 1 915 . 1 1 73 73 SER CA C 13 56.88 0.07 . . . . . . 73 SER CA . 15312 1 916 . 1 1 73 73 SER HA H 1 4.755 0.007 . . . . . . 73 SER HA . 15312 1 917 . 1 1 73 73 SER C C 13 176.79 0.00 . . . . . . 73 SER CO . 15312 1 918 . 1 1 73 73 SER CB C 13 64.64 0.12 . . . . . . 73 SER CB . 15312 1 919 . 1 1 73 73 SER HB2 H 1 3.825 0.012 . . . . . . 73 SER HB1 . 15312 1 920 . 1 1 73 73 SER HB3 H 1 4.135 0.012 . . . . . . 73 SER HB2 . 15312 1 921 . 1 1 74 74 ILE N N 15 124.96 0.03 . . . . . . 74 ILE N . 15312 1 922 . 1 1 74 74 ILE H H 1 10.003 0.027 . . . . . . 74 ILE HN . 15312 1 923 . 1 1 74 74 ILE CA C 13 64.27 0.14 . . . . . . 74 ILE CA . 15312 1 924 . 1 1 74 74 ILE HA H 1 3.855 0.004 . . . . . . 74 ILE HA . 15312 1 925 . 1 1 74 74 ILE C C 13 176.82 0.00 . . . . . . 74 ILE CO . 15312 1 926 . 1 1 74 74 ILE CB C 13 39.10 0.12 . . . . . . 74 ILE CB . 15312 1 927 . 1 1 74 74 ILE HB H 1 1.917 0.008 . . . . . . 74 ILE HB . 15312 1 928 . 1 1 74 74 ILE CG1 C 13 29.90 0.05 . . . . . . 74 ILE CG1 . 15312 1 929 . 1 1 74 74 ILE HG12 H 1 1.499 0.007 . . . . . . 74 ILE HG11 . 15312 1 930 . 1 1 74 74 ILE HG13 H 1 1.421 0.005 . . . . . . 74 ILE HG12 . 15312 1 931 . 1 1 74 74 ILE CG2 C 13 16.55 0.16 . . . . . . 74 ILE CG2 . 15312 1 932 . 1 1 74 74 ILE HG21 H 1 0.958 0.005 . . . . . . 74 ILE HG2 . 15312 1 933 . 1 1 74 74 ILE HG22 H 1 0.958 0.005 . . . . . . 74 ILE HG2 . 15312 1 934 . 1 1 74 74 ILE HG23 H 1 0.958 0.005 . . . . . . 74 ILE HG2 . 15312 1 935 . 1 1 74 74 ILE CD1 C 13 15.51 0.12 . . . . . . 74 ILE CD1 . 15312 1 936 . 1 1 74 74 ILE HD11 H 1 0.991 0.007 . . . . . . 74 ILE HD1 . 15312 1 937 . 1 1 74 74 ILE HD12 H 1 0.991 0.007 . . . . . . 74 ILE HD1 . 15312 1 938 . 1 1 74 74 ILE HD13 H 1 0.991 0.007 . . . . . . 74 ILE HD1 . 15312 1 939 . 1 1 75 75 ASP N N 15 120.15 0.07 . . . . . . 75 ASP N . 15312 1 940 . 1 1 75 75 ASP H H 1 8.375 0.009 . . . . . . 75 ASP HN . 15312 1 941 . 1 1 75 75 ASP CA C 13 55.30 0.14 . . . . . . 75 ASP CA . 15312 1 942 . 1 1 75 75 ASP HA H 1 4.324 0.005 . . . . . . 75 ASP HA . 15312 1 943 . 1 1 75 75 ASP C C 13 176.43 0.00 . . . . . . 75 ASP CO . 15312 1 944 . 1 1 75 75 ASP CB C 13 40.24 0.08 . . . . . . 75 ASP CB . 15312 1 945 . 1 1 75 75 ASP HB2 H 1 2.575 0.000 . . . . . . 75 ASP HB1 . 15312 1 946 . 1 1 75 75 ASP HB3 H 1 2.582 0.005 . . . . . . 75 ASP HB . 15312 1 947 . 1 1 76 76 ARG N N 15 117.50 0.05 . . . . . . 76 ARG N . 15312 1 948 . 1 1 76 76 ARG H H 1 7.680 0.010 . . . . . . 76 ARG HN . 15312 1 949 . 1 1 76 76 ARG CA C 13 55.71 0.09 . . . . . . 76 ARG CA . 15312 1 950 . 1 1 76 76 ARG HA H 1 4.108 0.005 . . . . . . 76 ARG HA . 15312 1 951 . 1 1 76 76 ARG C C 13 177.38 0.00 . . . . . . 76 ARG CO . 15312 1 952 . 1 1 76 76 ARG CB C 13 30.70 0.07 . . . . . . 76 ARG CB . 15312 1 953 . 1 1 76 76 ARG CG C 13 26.96 0.08 . . . . . . 76 ARG CG . 15312 1 954 . 1 1 76 76 ARG HG2 H 1 1.474 0.006 . . . . . . 76 ARG HG1 . 15312 1 955 . 1 1 76 76 ARG HG3 H 1 1.387 0.005 . . . . . . 76 ARG HG2 . 15312 1 956 . 1 1 76 76 ARG CD C 13 42.61 0.06 . . . . . . 76 ARG CD . 15312 1 957 . 1 1 76 76 ARG HD2 H 1 2.714 0.005 . . . . . . 76 ARG HD1 . 15312 1 958 . 1 1 76 76 ARG HD3 H 1 2.870 0.005 . . . . . . 76 ARG HD2 . 15312 1 959 . 1 1 76 76 ARG HB2 H 1 1.721 0.009 . . . . . . 76 ARG HB . 15312 1 960 . 1 1 76 76 ARG HB3 H 1 1.721 0.009 . . . . . . 76 ARG HB . 15312 1 961 . 1 1 77 77 LEU N N 15 116.62 0.07 . . . . . . 77 LEU N . 15312 1 962 . 1 1 77 77 LEU H H 1 6.962 0.010 . . . . . . 77 LEU HN . 15312 1 963 . 1 1 77 77 LEU CA C 13 54.19 0.04 . . . . . . 77 LEU CA . 15312 1 964 . 1 1 77 77 LEU HA H 1 4.267 0.010 . . . . . . 77 LEU HA . 15312 1 965 . 1 1 77 77 LEU C C 13 177.28 0.00 . . . . . . 77 LEU CO . 15312 1 966 . 1 1 77 77 LEU CB C 13 44.14 0.05 . . . . . . 77 LEU CB . 15312 1 967 . 1 1 77 77 LEU HB2 H 1 1.908 0.035 . . . . . . 77 LEU HB1 . 15312 1 968 . 1 1 77 77 LEU HB3 H 1 1.640 0.012 . . . . . . 77 LEU HB2 . 15312 1 969 . 1 1 77 77 LEU CG C 13 27.13 0.00 . . . . . . 77 LEU CG . 15312 1 970 . 1 1 77 77 LEU HG H 1 1.949 0.000 . . . . . . 77 LEU HG . 15312 1 971 . 1 1 77 77 LEU CD1 C 13 23.46 0.00 . . . . . . 77 LEU CD1 . 15312 1 972 . 1 1 77 77 LEU HD11 H 1 1.005 0.000 . . . . . . 77 LEU HD1 . 15312 1 973 . 1 1 77 77 LEU HD12 H 1 1.005 0.000 . . . . . . 77 LEU HD1 . 15312 1 974 . 1 1 77 77 LEU HD13 H 1 1.005 0.000 . . . . . . 77 LEU HD1 . 15312 1 975 . 1 1 77 77 LEU CD2 C 13 26.27 0.00 . . . . . . 77 LEU CD2 . 15312 1 976 . 1 1 77 77 LEU HD21 H 1 1.001 0.017 . . . . . . 77 LEU HD2 . 15312 1 977 . 1 1 77 77 LEU HD22 H 1 1.001 0.017 . . . . . . 77 LEU HD2 . 15312 1 978 . 1 1 77 77 LEU HD23 H 1 1.001 0.017 . . . . . . 77 LEU HD2 . 15312 1 979 . 1 1 78 78 GLY N N 15 106.67 0.10 . . . . . . 78 GLY N . 15312 1 980 . 1 1 78 78 GLY H H 1 8.290 0.011 . . . . . . 78 GLY HN . 15312 1 981 . 1 1 78 78 GLY CA C 13 45.10 0.10 . . . . . . 78 GLY CA . 15312 1 982 . 1 1 78 78 GLY C C 13 173.82 0.00 . . . . . . 78 GLY CO . 15312 1 983 . 1 1 78 78 GLY HA2 H 1 4.091 0.000 . . . . . . 78 GLY HA1 . 15312 1 984 . 1 1 78 78 GLY HA3 H 1 4.117 0.014 . . . . . . 78 GLY HA . 15312 1 985 . 1 1 79 79 TYR N N 15 117.63 0.04 . . . . . . 79 TYR N . 15312 1 986 . 1 1 79 79 TYR H H 1 8.232 0.014 . . . . . . 79 TYR HN . 15312 1 987 . 1 1 79 79 TYR CA C 13 63.04 0.13 . . . . . . 79 TYR CA . 15312 1 988 . 1 1 79 79 TYR HA H 1 3.979 0.015 . . . . . . 79 TYR HA . 15312 1 989 . 1 1 79 79 TYR C C 13 180.49 0.00 . . . . . . 79 TYR CO . 15312 1 990 . 1 1 79 79 TYR CB C 13 40.47 0.06 . . . . . . 79 TYR CB . 15312 1 991 . 1 1 79 79 TYR HB2 H 1 3.181 0.317 . . . . . . 79 TYR HB1 . 15312 1 992 . 1 1 79 79 TYR HB3 H 1 2.871 0.020 . . . . . . 79 TYR HB2 . 15312 1 993 . 1 1 79 79 TYR CD1 C 13 132.95 0.00 . . . . . . 79 TYR CD . 15312 1 994 . 1 1 79 79 TYR CD2 C 13 132.95 0.00 . . . . . . 79 TYR CD . 15312 1 995 . 1 1 79 79 TYR HD1 H 1 7.166 0.001 . . . . . . 79 TYR HD . 15312 1 996 . 1 1 79 79 TYR HD2 H 1 7.166 0.001 . . . . . . 79 TYR HD . 15312 1 997 . 1 1 79 79 TYR CE1 C 13 118.38 0.09 . . . . . . 79 TYR CE . 15312 1 998 . 1 1 79 79 TYR CE2 C 13 118.38 0.09 . . . . . . 79 TYR CE . 15312 1 999 . 1 1 79 79 TYR HE1 H 1 6.621 0.002 . . . . . . 79 TYR HE . 15312 1 1000 . 1 1 79 79 TYR HE2 H 1 6.621 0.002 . . . . . . 79 TYR HE . 15312 1 1001 . 1 1 80 80 VAL N N 15 120.80 0.04 . . . . . . 80 VAL N . 15312 1 1002 . 1 1 80 80 VAL H H 1 9.011 0.013 . . . . . . 80 VAL HN . 15312 1 1003 . 1 1 80 80 VAL CA C 13 67.50 0.07 . . . . . . 80 VAL CA . 15312 1 1004 . 1 1 80 80 VAL HA H 1 4.072 0.012 . . . . . . 80 VAL HA . 15312 1 1005 . 1 1 80 80 VAL C C 13 177.18 0.00 . . . . . . 80 VAL CO . 15312 1 1006 . 1 1 80 80 VAL CB C 13 31.08 0.14 . . . . . . 80 VAL CB . 15312 1 1007 . 1 1 80 80 VAL HB H 1 2.308 0.008 . . . . . . 80 VAL HB . 15312 1 1008 . 1 1 80 80 VAL CG1 C 13 23.24 0.10 . . . . . . 80 VAL CG1 . 15312 1 1009 . 1 1 80 80 VAL HG11 H 1 1.236 0.070 . . . . . . 80 VAL HG1 . 15312 1 1010 . 1 1 80 80 VAL HG12 H 1 1.236 0.070 . . . . . . 80 VAL HG1 . 15312 1 1011 . 1 1 80 80 VAL HG13 H 1 1.236 0.070 . . . . . . 80 VAL HG1 . 15312 1 1012 . 1 1 80 80 VAL CG2 C 13 22.32 0.06 . . . . . . 80 VAL CG2 . 15312 1 1013 . 1 1 80 80 VAL HG21 H 1 1.069 0.055 . . . . . . 80 VAL HG2 . 15312 1 1014 . 1 1 80 80 VAL HG22 H 1 1.069 0.055 . . . . . . 80 VAL HG2 . 15312 1 1015 . 1 1 80 80 VAL HG23 H 1 1.069 0.055 . . . . . . 80 VAL HG2 . 15312 1 1016 . 1 1 81 81 GLU N N 15 120.26 0.12 . . . . . . 81 GLU N . 15312 1 1017 . 1 1 81 81 GLU H H 1 10.845 0.010 . . . . . . 81 GLU HN . 15312 1 1018 . 1 1 81 81 GLU CA C 13 62.35 0.02 . . . . . . 81 GLU CA . 15312 1 1019 . 1 1 81 81 GLU HA H 1 3.770 0.000 . . . . . . 81 GLU HA . 15312 1 1020 . 1 1 81 81 GLU C C 13 178.47 0.00 . . . . . . 81 GLU CO . 15312 1 1021 . 1 1 81 81 GLU CB C 13 30.06 0.10 . . . . . . 81 GLU CB . 15312 1 1022 . 1 1 81 81 GLU CG C 13 38.66 0.00 . . . . . . 81 GLU CG . 15312 1 1023 . 1 1 81 81 GLU HB2 H 1 2.141 0.000 . . . . . . 81 GLU HB . 15312 1 1024 . 1 1 81 81 GLU HB3 H 1 2.141 0.000 . . . . . . 81 GLU HB . 15312 1 1025 . 1 1 81 81 GLU HG2 H 1 2.691 0.031 . . . . . . 81 GLU HG . 15312 1 1026 . 1 1 81 81 GLU HG3 H 1 2.691 0.031 . . . . . . 81 GLU HG . 15312 1 1027 . 1 1 82 82 ARG N N 15 115.25 0.06 . . . . . . 82 ARG N . 15312 1 1028 . 1 1 82 82 ARG H H 1 8.616 0.010 . . . . . . 82 ARG HN . 15312 1 1029 . 1 1 82 82 ARG CA C 13 60.23 0.04 . . . . . . 82 ARG CA . 15312 1 1030 . 1 1 82 82 ARG HA H 1 3.915 0.024 . . . . . . 82 ARG HA . 15312 1 1031 . 1 1 82 82 ARG C C 13 177.03 0.00 . . . . . . 82 ARG CO . 15312 1 1032 . 1 1 82 82 ARG CB C 13 30.15 0.07 . . . . . . 82 ARG CB . 15312 1 1033 . 1 1 82 82 ARG HB2 H 1 1.789 0.000 . . . . . . 82 ARG HB1 . 15312 1 1034 . 1 1 82 82 ARG HB3 H 1 1.884 0.000 . . . . . . 82 ARG HB2 . 15312 1 1035 . 1 1 82 82 ARG CG C 13 27.75 0.00 . . . . . . 82 ARG CG . 15312 1 1036 . 1 1 82 82 ARG HG2 H 1 1.343 0.000 . . . . . . 82 ARG HG1 . 15312 1 1037 . 1 1 82 82 ARG HG3 H 1 1.205 0.000 . . . . . . 82 ARG HG2 . 15312 1 1038 . 1 1 82 82 ARG CD C 13 43.30 0.00 . . . . . . 82 ARG CD . 15312 1 1039 . 1 1 82 82 ARG HD2 H 1 3.071 0.000 . . . . . . 82 ARG HD . 15312 1 1040 . 1 1 82 82 ARG HD3 H 1 3.071 0.000 . . . . . . 82 ARG HD . 15312 1 1041 . 1 1 83 83 ASN N N 15 114.71 0.07 . . . . . . 83 ASN N . 15312 1 1042 . 1 1 83 83 ASN H H 1 7.565 0.009 . . . . . . 83 ASN HN . 15312 1 1043 . 1 1 83 83 ASN CA C 13 58.17 0.03 . . . . . . 83 ASN CA . 15312 1 1044 . 1 1 83 83 ASN HA H 1 4.743 0.008 . . . . . . 83 ASN HA . 15312 1 1045 . 1 1 83 83 ASN C C 13 176.51 0.00 . . . . . . 83 ASN CO . 15312 1 1046 . 1 1 83 83 ASN CB C 13 39.63 0.04 . . . . . . 83 ASN CB . 15312 1 1047 . 1 1 83 83 ASN HB2 H 1 2.788 0.000 . . . . . . 83 ASN HB1 . 15312 1 1048 . 1 1 83 83 ASN HB3 H 1 2.493 0.000 . . . . . . 83 ASN HB2 . 15312 1 1049 . 1 1 83 83 ASN ND2 N 15 117.74 0.00 . . . . . . 83 ASN ND2 . 15312 1 1050 . 1 1 83 83 ASN HD21 H 1 9.294 0.000 . . . . . . 83 ASN HD21 . 15312 1 1051 . 1 1 83 83 ASN HD22 H 1 8.403 0.000 . . . . . . 83 ASN HD22 . 15312 1 1052 . 1 1 84 84 ALA N N 15 124.26 0.06 . . . . . . 84 ALA N . 15312 1 1053 . 1 1 84 84 ALA H H 1 9.159 0.012 . . . . . . 84 ALA HN . 15312 1 1054 . 1 1 84 84 ALA CA C 13 56.06 0.05 . . . . . . 84 ALA CA . 15312 1 1055 . 1 1 84 84 ALA HA H 1 4.333 0.013 . . . . . . 84 ALA HA . 15312 1 1056 . 1 1 84 84 ALA C C 13 179.52 0.00 . . . . . . 84 ALA CO . 15312 1 1057 . 1 1 84 84 ALA CB C 13 19.44 0.10 . . . . . . 84 ALA CB . 15312 1 1058 . 1 1 84 84 ALA HB1 H 1 1.429 0.027 . . . . . . 84 ALA HB . 15312 1 1059 . 1 1 84 84 ALA HB2 H 1 1.429 0.027 . . . . . . 84 ALA HB . 15312 1 1060 . 1 1 84 84 ALA HB3 H 1 1.429 0.027 . . . . . . 84 ALA HB . 15312 1 1061 . 1 1 85 85 LEU N N 15 116.71 0.02 . . . . . . 85 LEU N . 15312 1 1062 . 1 1 85 85 LEU H H 1 8.046 0.012 . . . . . . 85 LEU HN . 15312 1 1063 . 1 1 85 85 LEU CA C 13 58.72 0.06 . . . . . . 85 LEU CA . 15312 1 1064 . 1 1 85 85 LEU HA H 1 3.940 0.008 . . . . . . 85 LEU HA . 15312 1 1065 . 1 1 85 85 LEU C C 13 178.41 0.00 . . . . . . 85 LEU CO . 15312 1 1066 . 1 1 85 85 LEU CB C 13 42.18 0.07 . . . . . . 85 LEU CB . 15312 1 1067 . 1 1 85 85 LEU HB2 H 1 2.416 0.619 . . . . . . 85 LEU HB1 . 15312 1 1068 . 1 1 85 85 LEU HB3 H 1 2.298 0.000 . . . . . . 85 LEU HB2 . 15312 1 1069 . 1 1 85 85 LEU CG C 13 27.63 0.00 . . . . . . 85 LEU CG . 15312 1 1070 . 1 1 85 85 LEU HG H 1 1.151 0.000 . . . . . . 85 LEU HG . 15312 1 1071 . 1 1 85 85 LEU HD11 H 1 0.928 0.002 . . . . . . 85 LEU HD1 . 15312 1 1072 . 1 1 85 85 LEU HD12 H 1 0.928 0.002 . . . . . . 85 LEU HD1 . 15312 1 1073 . 1 1 85 85 LEU HD13 H 1 0.928 0.002 . . . . . . 85 LEU HD1 . 15312 1 1074 . 1 1 85 85 LEU HD21 H 1 0.887 0.029 . . . . . . 85 LEU HD2 . 15312 1 1075 . 1 1 85 85 LEU HD22 H 1 0.887 0.029 . . . . . . 85 LEU HD2 . 15312 1 1076 . 1 1 85 85 LEU HD23 H 1 0.887 0.029 . . . . . . 85 LEU HD2 . 15312 1 1077 . 1 1 85 85 LEU CD1 C 13 25.37 0.00 . . . . . . 85 LEU CD . 15312 1 1078 . 1 1 85 85 LEU CD2 C 13 25.37 0.00 . . . . . . 85 LEU CD . 15312 1 1079 . 1 1 86 86 ARG N N 15 118.03 0.08 . . . . . . 86 ARG N . 15312 1 1080 . 1 1 86 86 ARG H H 1 8.259 0.011 . . . . . . 86 ARG HN . 15312 1 1081 . 1 1 86 86 ARG CA C 13 59.48 0.08 . . . . . . 86 ARG CA . 15312 1 1082 . 1 1 86 86 ARG HA H 1 3.845 0.000 . . . . . . 86 ARG HA . 15312 1 1083 . 1 1 86 86 ARG C C 13 177.76 0.00 . . . . . . 86 ARG CO . 15312 1 1084 . 1 1 86 86 ARG CB C 13 31.85 0.10 . . . . . . 86 ARG CB . 15312 1 1085 . 1 1 86 86 ARG HB2 H 1 1.945 0.000 . . . . . . 86 ARG HB1 . 15312 1 1086 . 1 1 86 86 ARG HB3 H 1 1.848 0.000 . . . . . . 86 ARG HB2 . 15312 1 1087 . 1 1 86 86 ARG CG C 13 26.27 0.00 . . . . . . 86 ARG CG . 15312 1 1088 . 1 1 86 86 ARG CD C 13 44.87 0.00 . . . . . . 86 ARG CD . 15312 1 1089 . 1 1 86 86 ARG HD2 H 1 2.975 0.000 . . . . . . 86 ARG HD1 . 15312 1 1090 . 1 1 86 86 ARG HD3 H 1 2.746 0.000 . . . . . . 86 ARG HD2 . 15312 1 1091 . 1 1 86 86 ARG HG2 H 1 1.652 0.000 . . . . . . 86 ARG HG . 15312 1 1092 . 1 1 86 86 ARG HG3 H 1 1.652 0.000 . . . . . . 86 ARG HG . 15312 1 1093 . 1 1 87 87 LEU N N 15 118.67 0.08 . . . . . . 87 LEU N . 15312 1 1094 . 1 1 87 87 LEU H H 1 7.848 0.009 . . . . . . 87 LEU HN . 15312 1 1095 . 1 1 87 87 LEU CA C 13 57.87 0.09 . . . . . . 87 LEU CA . 15312 1 1096 . 1 1 87 87 LEU HA H 1 3.916 0.005 . . . . . . 87 LEU HA . 15312 1 1097 . 1 1 87 87 LEU C C 13 178.34 0.00 . . . . . . 87 LEU CO . 15312 1 1098 . 1 1 87 87 LEU CB C 13 42.34 0.05 . . . . . . 87 LEU CB . 15312 1 1099 . 1 1 87 87 LEU HB2 H 1 1.988 0.324 . . . . . . 87 LEU HB1 . 15312 1 1100 . 1 1 87 87 LEU HB3 H 1 1.627 0.000 . . . . . . 87 LEU HB2 . 15312 1 1101 . 1 1 87 87 LEU CG C 13 26.89 0.00 . . . . . . 87 LEU CG . 15312 1 1102 . 1 1 87 87 LEU HG H 1 1.791 0.005 . . . . . . 87 LEU HG . 15312 1 1103 . 1 1 87 87 LEU CD1 C 13 27.97 0.00 . . . . . . 87 LEU CD1 . 15312 1 1104 . 1 1 87 87 LEU HD11 H 1 1.090 0.001 . . . . . . 87 LEU HD1 . 15312 1 1105 . 1 1 87 87 LEU HD12 H 1 1.090 0.001 . . . . . . 87 LEU HD1 . 15312 1 1106 . 1 1 87 87 LEU HD13 H 1 1.090 0.001 . . . . . . 87 LEU HD1 . 15312 1 1107 . 1 1 87 87 LEU CD2 C 13 24.94 0.09 . . . . . . 87 LEU CD2 . 15312 1 1108 . 1 1 87 87 LEU HD21 H 1 0.985 0.001 . . . . . . 87 LEU HD2 . 15312 1 1109 . 1 1 87 87 LEU HD22 H 1 0.985 0.001 . . . . . . 87 LEU HD2 . 15312 1 1110 . 1 1 87 87 LEU HD23 H 1 0.985 0.001 . . . . . . 87 LEU HD2 . 15312 1 1111 . 1 1 88 88 GLY N N 15 105.24 0.05 . . . . . . 88 GLY N . 15312 1 1112 . 1 1 88 88 GLY H H 1 8.659 0.011 . . . . . . 88 GLY HN . 15312 1 1113 . 1 1 88 88 GLY CA C 13 47.72 0.04 . . . . . . 88 GLY CA . 15312 1 1114 . 1 1 88 88 GLY HA2 H 1 3.379 0.017 . . . . . . 88 GLY HA1 . 15312 1 1115 . 1 1 88 88 GLY HA3 H 1 3.633 0.012 . . . . . . 88 GLY HA2 . 15312 1 1116 . 1 1 88 88 GLY C C 13 175.04 0.00 . . . . . . 88 GLY CO . 15312 1 1117 . 1 1 89 89 VAL N N 15 121.23 0.04 . . . . . . 89 VAL N . 15312 1 1118 . 1 1 89 89 VAL H H 1 8.686 0.011 . . . . . . 89 VAL HN . 15312 1 1119 . 1 1 89 89 VAL CA C 13 67.67 0.09 . . . . . . 89 VAL CA . 15312 1 1120 . 1 1 89 89 VAL HA H 1 3.444 0.010 . . . . . . 89 VAL HA . 15312 1 1121 . 1 1 89 89 VAL C C 13 178.80 0.00 . . . . . . 89 VAL CO . 15312 1 1122 . 1 1 89 89 VAL CB C 13 31.39 0.07 . . . . . . 89 VAL CB . 15312 1 1123 . 1 1 89 89 VAL HB H 1 2.275 0.004 . . . . . . 89 VAL HB . 15312 1 1124 . 1 1 89 89 VAL CG1 C 13 23.70 0.10 . . . . . . 89 VAL CG1 . 15312 1 1125 . 1 1 89 89 VAL HG11 H 1 1.173 0.015 . . . . . . 89 VAL HG1 . 15312 1 1126 . 1 1 89 89 VAL HG12 H 1 1.173 0.015 . . . . . . 89 VAL HG1 . 15312 1 1127 . 1 1 89 89 VAL HG13 H 1 1.173 0.015 . . . . . . 89 VAL HG1 . 15312 1 1128 . 1 1 89 89 VAL CG2 C 13 24.87 0.09 . . . . . . 89 VAL CG2 . 15312 1 1129 . 1 1 89 89 VAL HG21 H 1 1.108 0.001 . . . . . . 89 VAL HG2 . 15312 1 1130 . 1 1 89 89 VAL HG22 H 1 1.108 0.001 . . . . . . 89 VAL HG2 . 15312 1 1131 . 1 1 89 89 VAL HG23 H 1 1.108 0.001 . . . . . . 89 VAL HG2 . 15312 1 1132 . 1 1 90 90 ALA N N 15 122.06 0.05 . . . . . . 90 ALA N . 15312 1 1133 . 1 1 90 90 ALA H H 1 8.631 0.009 . . . . . . 90 ALA HN . 15312 1 1134 . 1 1 90 90 ALA CA C 13 56.16 0.08 . . . . . . 90 ALA CA . 15312 1 1135 . 1 1 90 90 ALA HA H 1 4.072 0.031 . . . . . . 90 ALA HA . 15312 1 1136 . 1 1 90 90 ALA C C 13 178.64 0.00 . . . . . . 90 ALA CO . 15312 1 1137 . 1 1 90 90 ALA CB C 13 17.25 0.05 . . . . . . 90 ALA CB . 15312 1 1138 . 1 1 90 90 ALA HB1 H 1 1.509 0.010 . . . . . . 90 ALA HB . 15312 1 1139 . 1 1 90 90 ALA HB2 H 1 1.509 0.010 . . . . . . 90 ALA HB . 15312 1 1140 . 1 1 90 90 ALA HB3 H 1 1.509 0.010 . . . . . . 90 ALA HB . 15312 1 1141 . 1 1 91 91 GLU N N 15 116.03 0.05 . . . . . . 91 GLU N . 15312 1 1142 . 1 1 91 91 GLU H H 1 8.241 0.010 . . . . . . 91 GLU HN . 15312 1 1143 . 1 1 91 91 GLU CA C 13 59.85 0.09 . . . . . . 91 GLU CA . 15312 1 1144 . 1 1 91 91 GLU HA H 1 3.995 0.002 . . . . . . 91 GLU HA . 15312 1 1145 . 1 1 91 91 GLU C C 13 177.70 0.00 . . . . . . 91 GLU CO . 15312 1 1146 . 1 1 91 91 GLU CB C 13 30.39 0.09 . . . . . . 91 GLU CB . 15312 1 1147 . 1 1 91 91 GLU HB2 H 1 1.958 0.062 . . . . . . 91 GLU HB1 . 15312 1 1148 . 1 1 91 91 GLU HB3 H 1 2.274 0.000 . . . . . . 91 GLU HB2 . 15312 1 1149 . 1 1 91 91 GLU CG C 13 38.32 0.00 . . . . . . 91 GLU CG . 15312 1 1150 . 1 1 91 91 GLU HG2 H 1 2.283 0.000 . . . . . . 91 GLU HG . 15312 1 1151 . 1 1 91 91 GLU HG3 H 1 2.283 0.000 . . . . . . 91 GLU HG . 15312 1 1152 . 1 1 92 92 LEU N N 15 114.61 0.03 . . . . . . 92 LEU N . 15312 1 1153 . 1 1 92 92 LEU H H 1 8.706 0.010 . . . . . . 92 LEU HN . 15312 1 1154 . 1 1 92 92 LEU CA C 13 58.00 0.11 . . . . . . 92 LEU CA . 15312 1 1155 . 1 1 92 92 LEU HA H 1 3.896 0.012 . . . . . . 92 LEU HA . 15312 1 1156 . 1 1 92 92 LEU C C 13 177.79 0.00 . . . . . . 92 LEU CO . 15312 1 1157 . 1 1 92 92 LEU CB C 13 43.21 0.12 . . . . . . 92 LEU CB . 15312 1 1158 . 1 1 92 92 LEU CG C 13 25.99 0.00 . . . . . . 92 LEU CG . 15312 1 1159 . 1 1 92 92 LEU HG H 1 1.392 0.016 . . . . . . 92 LEU HG . 15312 1 1160 . 1 1 92 92 LEU CD1 C 13 22.41 0.00 . . . . . . 92 LEU CD1 . 15312 1 1161 . 1 1 92 92 LEU HD11 H 1 0.575 0.000 . . . . . . 92 LEU HD1 . 15312 1 1162 . 1 1 92 92 LEU HD12 H 1 0.575 0.000 . . . . . . 92 LEU HD1 . 15312 1 1163 . 1 1 92 92 LEU HD13 H 1 0.575 0.000 . . . . . . 92 LEU HD1 . 15312 1 1164 . 1 1 92 92 LEU CD2 C 13 25.83 0.05 . . . . . . 92 LEU CD2 . 15312 1 1165 . 1 1 92 92 LEU HD21 H 1 0.313 0.003 . . . . . . 92 LEU HD2 . 15312 1 1166 . 1 1 92 92 LEU HD22 H 1 0.313 0.003 . . . . . . 92 LEU HD2 . 15312 1 1167 . 1 1 92 92 LEU HD23 H 1 0.313 0.003 . . . . . . 92 LEU HD2 . 15312 1 1168 . 1 1 92 92 LEU HB2 H 1 1.780 0.000 . . . . . . 92 LEU HB . 15312 1 1169 . 1 1 92 92 LEU HB3 H 1 1.780 0.000 . . . . . . 92 LEU HB . 15312 1 1170 . 1 1 93 93 ILE N N 15 113.58 0.05 . . . . . . 93 ILE N . 15312 1 1171 . 1 1 93 93 ILE H H 1 8.023 0.011 . . . . . . 93 ILE HN . 15312 1 1172 . 1 1 93 93 ILE CA C 13 62.76 0.08 . . . . . . 93 ILE CA . 15312 1 1173 . 1 1 93 93 ILE HA H 1 3.653 0.012 . . . . . . 93 ILE HA . 15312 1 1174 . 1 1 93 93 ILE C C 13 176.77 0.00 . . . . . . 93 ILE CO . 15312 1 1175 . 1 1 93 93 ILE CB C 13 37.42 0.05 . . . . . . 93 ILE CB . 15312 1 1176 . 1 1 93 93 ILE HB H 1 1.716 0.008 . . . . . . 93 ILE HB . 15312 1 1177 . 1 1 93 93 ILE CG1 C 13 27.83 0.18 . . . . . . 93 ILE CG1 . 15312 1 1178 . 1 1 93 93 ILE HG12 H 1 1.073 0.004 . . . . . . 93 ILE HG11 . 15312 1 1179 . 1 1 93 93 ILE HG13 H 1 0.195 0.023 . . . . . . 93 ILE HG12 . 15312 1 1180 . 1 1 93 93 ILE CG2 C 13 15.76 0.19 . . . . . . 93 ILE CG2 . 15312 1 1181 . 1 1 93 93 ILE HG21 H 1 -0.119 0.007 . . . . . . 93 ILE HG2 . 15312 1 1182 . 1 1 93 93 ILE HG22 H 1 -0.119 0.007 . . . . . . 93 ILE HG2 . 15312 1 1183 . 1 1 93 93 ILE HG23 H 1 -0.119 0.007 . . . . . . 93 ILE HG2 . 15312 1 1184 . 1 1 93 93 ILE CD1 C 13 13.27 0.11 . . . . . . 93 ILE CD1 . 15312 1 1185 . 1 1 93 93 ILE HD11 H 1 0.570 0.008 . . . . . . 93 ILE HD1 . 15312 1 1186 . 1 1 93 93 ILE HD12 H 1 0.570 0.008 . . . . . . 93 ILE HD1 . 15312 1 1187 . 1 1 93 93 ILE HD13 H 1 0.570 0.008 . . . . . . 93 ILE HD1 . 15312 1 1188 . 1 1 94 94 PHE N N 15 117.43 0.05 . . . . . . 94 PHE N . 15312 1 1189 . 1 1 94 94 PHE H H 1 7.066 0.010 . . . . . . 94 PHE HN . 15312 1 1190 . 1 1 94 94 PHE CA C 13 62.62 0.05 . . . . . . 94 PHE CA . 15312 1 1191 . 1 1 94 94 PHE HA H 1 4.065 0.000 . . . . . . 94 PHE HA . 15312 1 1192 . 1 1 94 94 PHE C C 13 177.78 0.00 . . . . . . 94 PHE CO . 15312 1 1193 . 1 1 94 94 PHE CB C 13 38.35 0.02 . . . . . . 94 PHE CB . 15312 1 1194 . 1 1 94 94 PHE HB2 H 1 3.279 0.000 . . . . . . 94 PHE HB1 . 15312 1 1195 . 1 1 94 94 PHE HB3 H 1 2.696 0.000 . . . . . . 94 PHE HB2 . 15312 1 1196 . 1 1 94 94 PHE CZ C 13 128.97 0.00 . . . . . . 94 PHE CZ . 15312 1 1197 . 1 1 94 94 PHE HZ H 1 7.038 0.000 . . . . . . 94 PHE HZ . 15312 1 1198 . 1 1 94 94 PHE CD1 C 13 130.24 0.00 . . . . . . 94 PHE CD . 15312 1 1199 . 1 1 94 94 PHE CD2 C 13 130.24 0.00 . . . . . . 94 PHE CD . 15312 1 1200 . 1 1 94 94 PHE HD1 H 1 6.738 0.000 . . . . . . 94 PHE HD . 15312 1 1201 . 1 1 94 94 PHE HD2 H 1 6.738 0.000 . . . . . . 94 PHE HD . 15312 1 1202 . 1 1 94 94 PHE CE1 C 13 131.21 0.00 . . . . . . 94 PHE CE . 15312 1 1203 . 1 1 94 94 PHE CE2 C 13 131.21 0.00 . . . . . . 94 PHE CE . 15312 1 1204 . 1 1 94 94 PHE HE1 H 1 6.968 0.000 . . . . . . 94 PHE HE . 15312 1 1205 . 1 1 94 94 PHE HE2 H 1 6.968 0.000 . . . . . . 94 PHE HE . 15312 1 1206 . 1 1 95 95 LEU N N 15 117.24 0.04 . . . . . . 95 LEU N . 15312 1 1207 . 1 1 95 95 LEU H H 1 7.833 0.010 . . . . . . 95 LEU HN . 15312 1 1208 . 1 1 95 95 LEU CA C 13 54.77 0.09 . . . . . . 95 LEU CA . 15312 1 1209 . 1 1 95 95 LEU HA H 1 4.567 0.004 . . . . . . 95 LEU HA . 15312 1 1210 . 1 1 95 95 LEU C C 13 176.72 0.00 . . . . . . 95 LEU CO . 15312 1 1211 . 1 1 95 95 LEU CB C 13 41.23 0.07 . . . . . . 95 LEU CB . 15312 1 1212 . 1 1 95 95 LEU HB2 H 1 2.148 0.015 . . . . . . 95 LEU HB1 . 15312 1 1213 . 1 1 95 95 LEU HB3 H 1 1.863 0.012 . . . . . . 95 LEU HB2 . 15312 1 1214 . 1 1 95 95 LEU CG C 13 27.20 0.14 . . . . . . 95 LEU CG . 15312 1 1215 . 1 1 95 95 LEU HG H 1 1.682 0.002 . . . . . . 95 LEU HG . 15312 1 1216 . 1 1 95 95 LEU CD1 C 13 25.77 0.06 . . . . . . 95 LEU CD1 . 15312 1 1217 . 1 1 95 95 LEU HD11 H 1 0.814 0.005 . . . . . . 95 LEU HD1 . 15312 1 1218 . 1 1 95 95 LEU HD12 H 1 0.814 0.005 . . . . . . 95 LEU HD1 . 15312 1 1219 . 1 1 95 95 LEU HD13 H 1 0.814 0.005 . . . . . . 95 LEU HD1 . 15312 1 1220 . 1 1 95 95 LEU CD2 C 13 23.10 0.11 . . . . . . 95 LEU CD2 . 15312 1 1221 . 1 1 95 95 LEU HD21 H 1 0.948 0.001 . . . . . . 95 LEU HD2 . 15312 1 1222 . 1 1 95 95 LEU HD22 H 1 0.948 0.001 . . . . . . 95 LEU HD2 . 15312 1 1223 . 1 1 95 95 LEU HD23 H 1 0.948 0.001 . . . . . . 95 LEU HD2 . 15312 1 1224 . 1 1 96 96 LYS N N 15 113.42 0.03 . . . . . . 96 LYS N . 15312 1 1225 . 1 1 96 96 LYS H H 1 6.726 0.010 . . . . . . 96 LYS HN . 15312 1 1226 . 1 1 96 96 LYS CA C 13 56.84 0.06 . . . . . . 96 LYS CA . 15312 1 1227 . 1 1 96 96 LYS HA H 1 3.867 0.013 . . . . . . 96 LYS HA . 15312 1 1228 . 1 1 96 96 LYS C C 13 176.08 0.00 . . . . . . 96 LYS CO . 15312 1 1229 . 1 1 96 96 LYS CB C 13 29.94 0.05 . . . . . . 96 LYS CB . 15312 1 1230 . 1 1 96 96 LYS HB2 H 1 1.869 0.000 . . . . . . 96 LYS HB1 . 15312 1 1231 . 1 1 96 96 LYS HB3 H 1 1.752 0.000 . . . . . . 96 LYS HB2 . 15312 1 1232 . 1 1 96 96 LYS CG C 13 25.00 0.05 . . . . . . 96 LYS CG . 15312 1 1233 . 1 1 96 96 LYS HG2 H 1 1.360 0.000 . . . . . . 96 LYS HG1 . 15312 1 1234 . 1 1 96 96 LYS HG3 H 1 1.245 0.000 . . . . . . 96 LYS HG2 . 15312 1 1235 . 1 1 96 96 LYS CD C 13 29.50 0.00 . . . . . . 96 LYS CD . 15312 1 1236 . 1 1 96 96 LYS CE C 13 42.51 0.05 . . . . . . 96 LYS CE . 15312 1 1237 . 1 1 96 96 LYS HD2 H 1 1.724 0.000 . . . . . . 96 LYS HD . 15312 1 1238 . 1 1 96 96 LYS HD3 H 1 1.724 0.000 . . . . . . 96 LYS HD . 15312 1 1239 . 1 1 96 96 LYS HE2 H 1 3.062 0.005 . . . . . . 96 LYS HE . 15312 1 1240 . 1 1 96 96 LYS HE3 H 1 3.062 0.005 . . . . . . 96 LYS HE . 15312 1 1241 . 1 1 97 97 SER N N 15 108.59 0.05 . . . . . . 97 SER N . 15312 1 1242 . 1 1 97 97 SER H H 1 7.335 0.008 . . . . . . 97 SER HN . 15312 1 1243 . 1 1 97 97 SER CA C 13 60.24 0.02 . . . . . . 97 SER CA . 15312 1 1244 . 1 1 97 97 SER HA H 1 4.114 0.000 . . . . . . 97 SER HA . 15312 1 1245 . 1 1 97 97 SER C C 13 177.29 0.00 . . . . . . 97 SER CO . 15312 1 1246 . 1 1 97 97 SER CB C 13 65.03 0.11 . . . . . . 97 SER CB . 15312 1 1247 . 1 1 97 97 SER HB2 H 1 3.891 0.000 . . . . . . 97 SER HB1 . 15312 1 1248 . 1 1 97 97 SER HB3 H 1 3.340 0.000 . . . . . . 97 SER HB2 . 15312 1 1249 . 1 1 98 98 LYS N N 15 125.86 0.03 . . . . . . 98 LYS N . 15312 1 1250 . 1 1 98 98 LYS H H 1 8.910 0.013 . . . . . . 98 LYS HN . 15312 1 1251 . 1 1 98 98 LYS CA C 13 55.69 0.08 . . . . . . 98 LYS CA . 15312 1 1252 . 1 1 98 98 LYS HA H 1 4.614 0.016 . . . . . . 98 LYS HA . 15312 1 1253 . 1 1 98 98 LYS C C 13 175.59 0.00 . . . . . . 98 LYS CO . 15312 1 1254 . 1 1 98 98 LYS CB C 13 32.37 0.07 . . . . . . 98 LYS CB . 15312 1 1255 . 1 1 98 98 LYS HB2 H 1 2.232 0.005 . . . . . . 98 LYS HB1 . 15312 1 1256 . 1 1 98 98 LYS HB3 H 1 1.829 0.007 . . . . . . 98 LYS HB2 . 15312 1 1257 . 1 1 98 98 LYS CG C 13 25.35 0.12 . . . . . . 98 LYS CG . 15312 1 1258 . 1 1 98 98 LYS HG2 H 1 1.730 0.007 . . . . . . 98 LYS HG1 . 15312 1 1259 . 1 1 98 98 LYS HG3 H 1 1.648 0.005 . . . . . . 98 LYS HG2 . 15312 1 1260 . 1 1 98 98 LYS CD C 13 28.86 0.05 . . . . . . 98 LYS CD . 15312 1 1261 . 1 1 98 98 LYS CE C 13 42.13 0.12 . . . . . . 98 LYS CE . 15312 1 1262 . 1 1 98 98 LYS HD2 H 1 1.822 0.007 . . . . . . 98 LYS HD . 15312 1 1263 . 1 1 98 98 LYS HD3 H 1 1.822 0.007 . . . . . . 98 LYS HD . 15312 1 1264 . 1 1 98 98 LYS HE2 H 1 3.146 0.004 . . . . . . 98 LYS HE . 15312 1 1265 . 1 1 98 98 LYS HE3 H 1 3.146 0.004 . . . . . . 98 LYS HE . 15312 1 1266 . 1 1 99 99 GLU N N 15 117.88 0.08 . . . . . . 99 GLU N . 15312 1 1267 . 1 1 99 99 GLU H H 1 8.494 0.008 . . . . . . 99 GLU HN . 15312 1 1268 . 1 1 99 99 GLU CA C 13 52.56 0.02 . . . . . . 99 GLU CA . 15312 1 1269 . 1 1 99 99 GLU HA H 1 5.017 0.012 . . . . . . 99 GLU HA . 15312 1 1270 . 1 1 99 99 GLU CB C 13 28.92 0.04 . . . . . . 99 GLU CB . 15312 1 1271 . 1 1 99 99 GLU HB2 H 1 2.025 0.000 . . . . . . 99 GLU HB1 . 15312 1 1272 . 1 1 99 99 GLU HB3 H 1 1.784 0.000 . . . . . . 99 GLU HB2 . 15312 1 1273 . 1 1 99 99 GLU CG C 13 34.98 0.10 . . . . . . 99 GLU CG . 15312 1 1274 . 1 1 99 99 GLU HG2 H 1 2.380 0.021 . . . . . . 99 GLU HG1 . 15312 1 1275 . 1 1 99 99 GLU HG3 H 1 2.088 0.016 . . . . . . 99 GLU HG2 . 15312 1 1276 . 1 1 100 100 PRO CA C 13 65.39 0.06 . . . . . . 100 PRO CA . 15312 1 1277 . 1 1 100 100 PRO HA H 1 3.857 0.009 . . . . . . 100 PRO HA . 15312 1 1278 . 1 1 100 100 PRO C C 13 177.87 0.00 . . . . . . 100 PRO CO . 15312 1 1279 . 1 1 100 100 PRO CB C 13 31.52 0.06 . . . . . . 100 PRO CB . 15312 1 1280 . 1 1 100 100 PRO HB2 H 1 1.913 0.000 . . . . . . 100 PRO HB1 . 15312 1 1281 . 1 1 100 100 PRO HB3 H 1 1.737 0.000 . . . . . . 100 PRO HB2 . 15312 1 1282 . 1 1 100 100 PRO CG C 13 28.00 0.02 . . . . . . 100 PRO CG . 15312 1 1283 . 1 1 100 100 PRO HG2 H 1 2.237 0.000 . . . . . . 100 PRO HG1 . 15312 1 1284 . 1 1 100 100 PRO HG3 H 1 2.079 0.000 . . . . . . 100 PRO HG2 . 15312 1 1285 . 1 1 100 100 PRO CD C 13 50.69 0.08 . . . . . . 100 PRO CD . 15312 1 1286 . 1 1 100 100 PRO HD2 H 1 3.577 0.000 . . . . . . 100 PRO HD1 . 15312 1 1287 . 1 1 100 100 PRO HD3 H 1 3.300 0.000 . . . . . . 100 PRO HD2 . 15312 1 1288 . 1 1 101 101 GLY N N 15 104.91 0.04 . . . . . . 101 GLY N . 15312 1 1289 . 1 1 101 101 GLY H H 1 8.471 0.010 . . . . . . 101 GLY HN . 15312 1 1290 . 1 1 101 101 GLY CA C 13 47.36 0.05 . . . . . . 101 GLY CA . 15312 1 1291 . 1 1 101 101 GLY HA2 H 1 3.800 0.000 . . . . . . 101 GLY HA2 . 15312 1 1292 . 1 1 101 101 GLY C C 13 176.83 0.00 . . . . . . 101 GLY CO . 15312 1 1293 . 1 1 102 102 ARG N N 15 120.06 0.08 . . . . . . 102 ARG N . 15312 1 1294 . 1 1 102 102 ARG H H 1 7.304 0.010 . . . . . . 102 ARG HN . 15312 1 1295 . 1 1 102 102 ARG CA C 13 57.56 0.05 . . . . . . 102 ARG CA . 15312 1 1296 . 1 1 102 102 ARG HA H 1 4.059 0.010 . . . . . . 102 ARG HA . 15312 1 1297 . 1 1 102 102 ARG C C 13 177.80 0.00 . . . . . . 102 ARG CO . 15312 1 1298 . 1 1 102 102 ARG CB C 13 29.55 0.02 . . . . . . 102 ARG CB . 15312 1 1299 . 1 1 102 102 ARG HB2 H 1 1.914 0.000 . . . . . . 102 ARG HB1 . 15312 1 1300 . 1 1 102 102 ARG HB3 H 1 1.826 0.000 . . . . . . 102 ARG HB2 . 15312 1 1301 . 1 1 102 102 ARG CG C 13 26.43 0.00 . . . . . . 102 ARG CG . 15312 1 1302 . 1 1 102 102 ARG CD C 13 42.41 0.00 . . . . . . 102 ARG CD . 15312 1 1303 . 1 1 102 102 ARG HD2 H 1 3.231 0.000 . . . . . . 102 ARG HD1 . 15312 1 1304 . 1 1 102 102 ARG HD3 H 1 3.162 0.000 . . . . . . 102 ARG HD2 . 15312 1 1305 . 1 1 102 102 ARG HG2 H 1 1.728 0.000 . . . . . . 102 ARG HG . 15312 1 1306 . 1 1 102 102 ARG HG3 H 1 1.728 0.000 . . . . . . 102 ARG HG . 15312 1 1307 . 1 1 103 103 VAL N N 15 119.37 0.02 . . . . . . 103 VAL N . 15312 1 1308 . 1 1 103 103 VAL H H 1 7.487 0.010 . . . . . . 103 VAL HN . 15312 1 1309 . 1 1 103 103 VAL CA C 13 67.63 0.16 . . . . . . 103 VAL CA . 15312 1 1310 . 1 1 103 103 VAL HA H 1 3.232 0.004 . . . . . . 103 VAL HA . 15312 1 1311 . 1 1 103 103 VAL C C 13 177.63 0.00 . . . . . . 103 VAL CO . 15312 1 1312 . 1 1 103 103 VAL CB C 13 31.41 0.05 . . . . . . 103 VAL CB . 15312 1 1313 . 1 1 103 103 VAL HB H 1 2.141 0.009 . . . . . . 103 VAL HB . 15312 1 1314 . 1 1 103 103 VAL CG1 C 13 22.26 0.06 . . . . . . 103 VAL CG1 . 15312 1 1315 . 1 1 103 103 VAL HG11 H 1 0.855 0.002 . . . . . . 103 VAL HG1 . 15312 1 1316 . 1 1 103 103 VAL HG12 H 1 0.855 0.002 . . . . . . 103 VAL HG1 . 15312 1 1317 . 1 1 103 103 VAL HG13 H 1 0.855 0.002 . . . . . . 103 VAL HG1 . 15312 1 1318 . 1 1 103 103 VAL CG2 C 13 21.18 0.13 . . . . . . 103 VAL CG2 . 15312 1 1319 . 1 1 103 103 VAL HG21 H 1 0.785 0.005 . . . . . . 103 VAL HG2 . 15312 1 1320 . 1 1 103 103 VAL HG22 H 1 0.785 0.005 . . . . . . 103 VAL HG2 . 15312 1 1321 . 1 1 103 103 VAL HG23 H 1 0.785 0.005 . . . . . . 103 VAL HG2 . 15312 1 1322 . 1 1 104 104 PHE N N 15 115.57 0.04 . . . . . . 104 PHE N . 15312 1 1323 . 1 1 104 104 PHE H H 1 8.195 0.012 . . . . . . 104 PHE HN . 15312 1 1324 . 1 1 104 104 PHE CA C 13 63.18 0.07 . . . . . . 104 PHE CA . 15312 1 1325 . 1 1 104 104 PHE HA H 1 3.706 0.004 . . . . . . 104 PHE HA . 15312 1 1326 . 1 1 104 104 PHE C C 13 178.31 0.00 . . . . . . 104 PHE CO . 15312 1 1327 . 1 1 104 104 PHE CB C 13 39.54 0.06 . . . . . . 104 PHE CB . 15312 1 1328 . 1 1 104 104 PHE HB2 H 1 3.143 0.006 . . . . . . 104 PHE HB1 . 15312 1 1329 . 1 1 104 104 PHE HB3 H 1 3.060 0.000 . . . . . . 104 PHE HB2 . 15312 1 1330 . 1 1 104 104 PHE CZ C 13 128.84 0.04 . . . . . . 104 PHE CZ . 15312 1 1331 . 1 1 104 104 PHE HZ H 1 6.988 0.002 . . . . . . 104 PHE HZ . 15312 1 1332 . 1 1 104 104 PHE CD1 C 13 131.46 0.00 . . . . . . 104 PHE CD . 15312 1 1333 . 1 1 104 104 PHE CD2 C 13 131.46 0.00 . . . . . . 104 PHE CD . 15312 1 1334 . 1 1 104 104 PHE HD1 H 1 7.331 0.000 . . . . . . 104 PHE HD . 15312 1 1335 . 1 1 104 104 PHE HD2 H 1 7.331 0.000 . . . . . . 104 PHE HD . 15312 1 1336 . 1 1 104 104 PHE CE1 C 13 130.96 0.10 . . . . . . 104 PHE CE . 15312 1 1337 . 1 1 104 104 PHE CE2 C 13 130.96 0.10 . . . . . . 104 PHE CE . 15312 1 1338 . 1 1 104 104 PHE HE1 H 1 6.884 0.002 . . . . . . 104 PHE HE . 15312 1 1339 . 1 1 104 104 PHE HE2 H 1 6.884 0.002 . . . . . . 104 PHE HE . 15312 1 1340 . 1 1 105 105 ILE N N 15 116.72 0.03 . . . . . . 105 ILE N . 15312 1 1341 . 1 1 105 105 ILE H H 1 7.378 0.011 . . . . . . 105 ILE HN . 15312 1 1342 . 1 1 105 105 ILE CA C 13 64.78 0.09 . . . . . . 105 ILE CA . 15312 1 1343 . 1 1 105 105 ILE HA H 1 3.647 0.012 . . . . . . 105 ILE HA . 15312 1 1344 . 1 1 105 105 ILE C C 13 178.10 0.00 . . . . . . 105 ILE CO . 15312 1 1345 . 1 1 105 105 ILE CB C 13 38.45 0.12 . . . . . . 105 ILE CB . 15312 1 1346 . 1 1 105 105 ILE HB H 1 1.790 0.014 . . . . . . 105 ILE HB . 15312 1 1347 . 1 1 105 105 ILE CG1 C 13 29.30 0.04 . . . . . . 105 ILE CG1 . 15312 1 1348 . 1 1 105 105 ILE HG12 H 1 1.736 0.003 . . . . . . 105 ILE HG11 . 15312 1 1349 . 1 1 105 105 ILE HG13 H 1 1.216 0.019 . . . . . . 105 ILE HG12 . 15312 1 1350 . 1 1 105 105 ILE CG2 C 13 17.20 0.14 . . . . . . 105 ILE CG2 . 15312 1 1351 . 1 1 105 105 ILE HG21 H 1 0.943 0.002 . . . . . . 105 ILE HG2 . 15312 1 1352 . 1 1 105 105 ILE HG22 H 1 0.943 0.002 . . . . . . 105 ILE HG2 . 15312 1 1353 . 1 1 105 105 ILE HG23 H 1 0.943 0.002 . . . . . . 105 ILE HG2 . 15312 1 1354 . 1 1 105 105 ILE CD1 C 13 13.15 0.10 . . . . . . 105 ILE CD1 . 15312 1 1355 . 1 1 105 105 ILE HD11 H 1 0.826 0.009 . . . . . . 105 ILE HD1 . 15312 1 1356 . 1 1 105 105 ILE HD12 H 1 0.826 0.009 . . . . . . 105 ILE HD1 . 15312 1 1357 . 1 1 105 105 ILE HD13 H 1 0.826 0.009 . . . . . . 105 ILE HD1 . 15312 1 1358 . 1 1 106 106 ASP N N 15 119.70 0.03 . . . . . . 106 ASP N . 15312 1 1359 . 1 1 106 106 ASP H H 1 8.383 0.009 . . . . . . 106 ASP HN . 15312 1 1360 . 1 1 106 106 ASP CA C 13 57.66 0.03 . . . . . . 106 ASP CA . 15312 1 1361 . 1 1 106 106 ASP HA H 1 4.423 0.005 . . . . . . 106 ASP HA . 15312 1 1362 . 1 1 106 106 ASP C C 13 179.86 0.00 . . . . . . 106 ASP CO . 15312 1 1363 . 1 1 106 106 ASP CB C 13 40.37 0.03 . . . . . . 106 ASP CB . 15312 1 1364 . 1 1 106 106 ASP HB2 H 1 2.743 0.027 . . . . . . 106 ASP HB1 . 15312 1 1365 . 1 1 106 106 ASP HB3 H 1 2.458 0.007 . . . . . . 106 ASP HB2 . 15312 1 1366 . 1 1 107 107 ILE N N 15 120.52 0.06 . . . . . . 107 ILE N . 15312 1 1367 . 1 1 107 107 ILE H H 1 8.804 0.010 . . . . . . 107 ILE HN . 15312 1 1368 . 1 1 107 107 ILE CA C 13 63.23 0.11 . . . . . . 107 ILE CA . 15312 1 1369 . 1 1 107 107 ILE HA H 1 3.830 0.005 . . . . . . 107 ILE HA . 15312 1 1370 . 1 1 107 107 ILE C C 13 177.58 0.00 . . . . . . 107 ILE CO . 15312 1 1371 . 1 1 107 107 ILE CB C 13 35.34 0.09 . . . . . . 107 ILE CB . 15312 1 1372 . 1 1 107 107 ILE HB H 1 2.037 0.017 . . . . . . 107 ILE HB . 15312 1 1373 . 1 1 107 107 ILE CG1 C 13 29.45 0.11 . . . . . . 107 ILE CG1 . 15312 1 1374 . 1 1 107 107 ILE HG12 H 1 1.649 0.006 . . . . . . 107 ILE HG11 . 15312 1 1375 . 1 1 107 107 ILE HG13 H 1 1.288 0.003 . . . . . . 107 ILE HG12 . 15312 1 1376 . 1 1 107 107 ILE CG2 C 13 18.29 0.11 . . . . . . 107 ILE CG2 . 15312 1 1377 . 1 1 107 107 ILE HG21 H 1 0.721 0.004 . . . . . . 107 ILE HG2 . 15312 1 1378 . 1 1 107 107 ILE HG22 H 1 0.721 0.004 . . . . . . 107 ILE HG2 . 15312 1 1379 . 1 1 107 107 ILE HG23 H 1 0.721 0.004 . . . . . . 107 ILE HG2 . 15312 1 1380 . 1 1 107 107 ILE CD1 C 13 10.29 0.14 . . . . . . 107 ILE CD1 . 15312 1 1381 . 1 1 107 107 ILE HD11 H 1 0.831 0.007 . . . . . . 107 ILE HD1 . 15312 1 1382 . 1 1 107 107 ILE HD12 H 1 0.831 0.007 . . . . . . 107 ILE HD1 . 15312 1 1383 . 1 1 107 107 ILE HD13 H 1 0.831 0.007 . . . . . . 107 ILE HD1 . 15312 1 1384 . 1 1 108 108 VAL N N 15 120.69 0.03 . . . . . . 108 VAL N . 15312 1 1385 . 1 1 108 108 VAL H H 1 8.048 0.008 . . . . . . 108 VAL HN . 15312 1 1386 . 1 1 108 108 VAL CA C 13 68.20 0.08 . . . . . . 108 VAL CA . 15312 1 1387 . 1 1 108 108 VAL HA H 1 3.421 0.009 . . . . . . 108 VAL HA . 15312 1 1388 . 1 1 108 108 VAL C C 13 177.65 0.00 . . . . . . 108 VAL CO . 15312 1 1389 . 1 1 108 108 VAL CB C 13 31.19 0.05 . . . . . . 108 VAL CB . 15312 1 1390 . 1 1 108 108 VAL HB H 1 2.214 0.005 . . . . . . 108 VAL HB . 15312 1 1391 . 1 1 108 108 VAL CG1 C 13 23.93 0.15 . . . . . . 108 VAL CG1 . 15312 1 1392 . 1 1 108 108 VAL HG11 H 1 1.106 0.004 . . . . . . 108 VAL HG1 . 15312 1 1393 . 1 1 108 108 VAL HG12 H 1 1.106 0.004 . . . . . . 108 VAL HG1 . 15312 1 1394 . 1 1 108 108 VAL HG13 H 1 1.106 0.004 . . . . . . 108 VAL HG1 . 15312 1 1395 . 1 1 108 108 VAL CG2 C 13 21.40 0.04 . . . . . . 108 VAL CG2 . 15312 1 1396 . 1 1 108 108 VAL HG21 H 1 0.927 0.008 . . . . . . 108 VAL HG2 . 15312 1 1397 . 1 1 108 108 VAL HG22 H 1 0.927 0.008 . . . . . . 108 VAL HG2 . 15312 1 1398 . 1 1 108 108 VAL HG23 H 1 0.927 0.008 . . . . . . 108 VAL HG2 . 15312 1 1399 . 1 1 109 109 ASP N N 15 119.68 0.05 . . . . . . 109 ASP N . 15312 1 1400 . 1 1 109 109 ASP H H 1 8.332 0.010 . . . . . . 109 ASP HN . 15312 1 1401 . 1 1 109 109 ASP CA C 13 57.84 0.02 . . . . . . 109 ASP CA . 15312 1 1402 . 1 1 109 109 ASP HA H 1 4.378 0.005 . . . . . . 109 ASP HA . 15312 1 1403 . 1 1 109 109 ASP C C 13 179.48 0.00 . . . . . . 109 ASP CO . 15312 1 1404 . 1 1 109 109 ASP CB C 13 40.50 0.09 . . . . . . 109 ASP CB . 15312 1 1405 . 1 1 109 109 ASP HB2 H 1 2.890 0.007 . . . . . . 109 ASP HB1 . 15312 1 1406 . 1 1 109 109 ASP HB3 H 1 2.519 0.006 . . . . . . 109 ASP HB2 . 15312 1 1407 . 1 1 110 110 LEU N N 15 121.26 0.04 . . . . . . 110 LEU N . 15312 1 1408 . 1 1 110 110 LEU H H 1 7.930 0.010 . . . . . . 110 LEU HN . 15312 1 1409 . 1 1 110 110 LEU CA C 13 58.20 0.06 . . . . . . 110 LEU CA . 15312 1 1410 . 1 1 110 110 LEU HA H 1 3.977 0.005 . . . . . . 110 LEU HA . 15312 1 1411 . 1 1 110 110 LEU C C 13 178.38 0.00 . . . . . . 110 LEU CO . 15312 1 1412 . 1 1 110 110 LEU CB C 13 41.68 0.05 . . . . . . 110 LEU CB . 15312 1 1413 . 1 1 110 110 LEU HB2 H 1 2.002 0.001 . . . . . . 110 LEU HB1 . 15312 1 1414 . 1 1 110 110 LEU HB3 H 1 1.085 0.012 . . . . . . 110 LEU HB2 . 15312 1 1415 . 1 1 110 110 LEU CG C 13 25.95 0.05 . . . . . . 110 LEU CG . 15312 1 1416 . 1 1 110 110 LEU HG H 1 2.007 0.004 . . . . . . 110 LEU HG . 15312 1 1417 . 1 1 110 110 LEU CD1 C 13 24.40 0.08 . . . . . . 110 LEU CD1 . 15312 1 1418 . 1 1 110 110 LEU HD11 H 1 0.797 0.005 . . . . . . 110 LEU HD1 . 15312 1 1419 . 1 1 110 110 LEU HD12 H 1 0.797 0.005 . . . . . . 110 LEU HD1 . 15312 1 1420 . 1 1 110 110 LEU HD13 H 1 0.797 0.005 . . . . . . 110 LEU HD1 . 15312 1 1421 . 1 1 110 110 LEU CD2 C 13 25.80 0.08 . . . . . . 110 LEU CD2 . 15312 1 1422 . 1 1 110 110 LEU HD21 H 1 0.677 0.005 . . . . . . 110 LEU HD2 . 15312 1 1423 . 1 1 110 110 LEU HD22 H 1 0.677 0.005 . . . . . . 110 LEU HD2 . 15312 1 1424 . 1 1 110 110 LEU HD23 H 1 0.677 0.005 . . . . . . 110 LEU HD2 . 15312 1 1425 . 1 1 111 111 VAL N N 15 120.32 0.06 . . . . . . 111 VAL N . 15312 1 1426 . 1 1 111 111 VAL H H 1 7.999 0.010 . . . . . . 111 VAL HN . 15312 1 1427 . 1 1 111 111 VAL CA C 13 66.73 0.11 . . . . . . 111 VAL CA . 15312 1 1428 . 1 1 111 111 VAL HA H 1 3.240 0.004 . . . . . . 111 VAL HA . 15312 1 1429 . 1 1 111 111 VAL C C 13 177.60 0.00 . . . . . . 111 VAL CO . 15312 1 1430 . 1 1 111 111 VAL CB C 13 31.17 0.06 . . . . . . 111 VAL CB . 15312 1 1431 . 1 1 111 111 VAL HB H 1 2.205 0.015 . . . . . . 111 VAL HB . 15312 1 1432 . 1 1 111 111 VAL CG1 C 13 24.73 0.13 . . . . . . 111 VAL CG1 . 15312 1 1433 . 1 1 111 111 VAL HG11 H 1 0.980 0.005 . . . . . . 111 VAL HG1 . 15312 1 1434 . 1 1 111 111 VAL HG12 H 1 0.980 0.005 . . . . . . 111 VAL HG1 . 15312 1 1435 . 1 1 111 111 VAL HG13 H 1 0.980 0.005 . . . . . . 111 VAL HG1 . 15312 1 1436 . 1 1 111 111 VAL CG2 C 13 22.67 0.02 . . . . . . 111 VAL CG2 . 15312 1 1437 . 1 1 111 111 VAL HG21 H 1 0.932 0.005 . . . . . . 111 VAL HG2 . 15312 1 1438 . 1 1 111 111 VAL HG22 H 1 0.932 0.005 . . . . . . 111 VAL HG2 . 15312 1 1439 . 1 1 111 111 VAL HG23 H 1 0.932 0.005 . . . . . . 111 VAL HG2 . 15312 1 1440 . 1 1 112 112 LYS N N 15 118.15 0.02 . . . . . . 112 LYS N . 15312 1 1441 . 1 1 112 112 LYS H H 1 8.264 0.006 . . . . . . 112 LYS HN . 15312 1 1442 . 1 1 112 112 LYS CA C 13 59.74 0.11 . . . . . . 112 LYS CA . 15312 1 1443 . 1 1 112 112 LYS HA H 1 3.619 0.005 . . . . . . 112 LYS HA . 15312 1 1444 . 1 1 112 112 LYS C C 13 177.25 0.00 . . . . . . 112 LYS CO . 15312 1 1445 . 1 1 112 112 LYS CB C 13 32.37 0.10 . . . . . . 112 LYS CB . 15312 1 1446 . 1 1 112 112 LYS HB2 H 1 1.851 0.001 . . . . . . 112 LYS HB1 . 15312 1 1447 . 1 1 112 112 LYS HB3 H 1 1.804 0.001 . . . . . . 112 LYS HB2 . 15312 1 1448 . 1 1 112 112 LYS CG C 13 26.51 0.00 . . . . . . 112 LYS CG . 15312 1 1449 . 1 1 112 112 LYS HG2 H 1 1.654 0.034 . . . . . . 112 LYS HG1 . 15312 1 1450 . 1 1 112 112 LYS HG3 H 1 1.268 0.000 . . . . . . 112 LYS HG2 . 15312 1 1451 . 1 1 112 112 LYS CD C 13 29.48 0.15 . . . . . . 112 LYS CD . 15312 1 1452 . 1 1 112 112 LYS CE C 13 41.99 0.02 . . . . . . 112 LYS CE . 15312 1 1453 . 1 1 112 112 LYS HD2 H 1 1.777 0.005 . . . . . . 112 LYS HD . 15312 1 1454 . 1 1 112 112 LYS HD3 H 1 1.777 0.005 . . . . . . 112 LYS HD . 15312 1 1455 . 1 1 112 112 LYS HE2 H 1 2.948 0.004 . . . . . . 112 LYS HE . 15312 1 1456 . 1 1 112 112 LYS HE3 H 1 2.948 0.004 . . . . . . 112 LYS HE . 15312 1 1457 . 1 1 113 113 LYS N N 15 117.66 0.03 . . . . . . 113 LYS N . 15312 1 1458 . 1 1 113 113 LYS H H 1 7.474 0.010 . . . . . . 113 LYS HN . 15312 1 1459 . 1 1 113 113 LYS CA C 13 58.72 0.10 . . . . . . 113 LYS CA . 15312 1 1460 . 1 1 113 113 LYS HA H 1 3.841 0.007 . . . . . . 113 LYS HA . 15312 1 1461 . 1 1 113 113 LYS C C 13 178.45 0.00 . . . . . . 113 LYS CO . 15312 1 1462 . 1 1 113 113 LYS CB C 13 32.77 0.09 . . . . . . 113 LYS CB . 15312 1 1463 . 1 1 113 113 LYS CG C 13 24.45 0.06 . . . . . . 113 LYS CG . 15312 1 1464 . 1 1 113 113 LYS HG2 H 1 0.302 0.006 . . . . . . 113 LYS HG1 . 15312 1 1465 . 1 1 113 113 LYS HG3 H 1 0.981 0.000 . . . . . . 113 LYS HG2 . 15312 1 1466 . 1 1 113 113 LYS CD C 13 29.69 0.07 . . . . . . 113 LYS CD . 15312 1 1467 . 1 1 113 113 LYS HD2 H 1 1.399 0.005 . . . . . . 113 LYS HD1 . 15312 1 1468 . 1 1 113 113 LYS HD3 H 1 1.203 0.003 . . . . . . 113 LYS HD2 . 15312 1 1469 . 1 1 113 113 LYS CE C 13 42.04 0.15 . . . . . . 113 LYS CE . 15312 1 1470 . 1 1 113 113 LYS HB2 H 1 1.602 0.003 . . . . . . 113 LYS HB1 . 15312 1 1471 . 1 1 113 113 LYS HB3 H 1 1.586 0.015 . . . . . . 113 LYS HB . 15312 1 1472 . 1 1 113 113 LYS HE2 H 1 2.672 0.002 . . . . . . 113 LYS HE . 15312 1 1473 . 1 1 113 113 LYS HE3 H 1 2.672 0.002 . . . . . . 113 LYS HE . 15312 1 1474 . 1 1 114 114 TYR N N 15 115.14 0.04 . . . . . . 114 TYR N . 15312 1 1475 . 1 1 114 114 TYR H H 1 7.912 0.010 . . . . . . 114 TYR HN . 15312 1 1476 . 1 1 114 114 TYR CA C 13 59.66 0.08 . . . . . . 114 TYR CA . 15312 1 1477 . 1 1 114 114 TYR HA H 1 4.553 0.009 . . . . . . 114 TYR HA . 15312 1 1478 . 1 1 114 114 TYR C C 13 175.41 0.00 . . . . . . 114 TYR CO . 15312 1 1479 . 1 1 114 114 TYR CB C 13 39.41 0.07 . . . . . . 114 TYR CB . 15312 1 1480 . 1 1 114 114 TYR HB2 H 1 2.407 0.018 . . . . . . 114 TYR HB1 . 15312 1 1481 . 1 1 114 114 TYR HB3 H 1 3.209 0.016 . . . . . . 114 TYR HB2 . 15312 1 1482 . 1 1 114 114 TYR CD1 C 13 133.58 0.00 . . . . . . 114 TYR CD . 15312 1 1483 . 1 1 114 114 TYR CD2 C 13 133.58 0.00 . . . . . . 114 TYR CD . 15312 1 1484 . 1 1 114 114 TYR HD1 H 1 7.039 0.000 . . . . . . 114 TYR HD . 15312 1 1485 . 1 1 114 114 TYR HD2 H 1 7.039 0.000 . . . . . . 114 TYR HD . 15312 1 1486 . 1 1 114 114 TYR CE1 C 13 117.32 0.00 . . . . . . 114 TYR CE . 15312 1 1487 . 1 1 114 114 TYR CE2 C 13 117.32 0.00 . . . . . . 114 TYR CE . 15312 1 1488 . 1 1 114 114 TYR HE1 H 1 6.800 0.000 . . . . . . 114 TYR HE . 15312 1 1489 . 1 1 114 114 TYR HE2 H 1 6.800 0.000 . . . . . . 114 TYR HE . 15312 1 1490 . 1 1 115 115 ALA N N 15 126.08 0.09 . . . . . . 115 ALA N . 15312 1 1491 . 1 1 115 115 ALA H H 1 8.535 0.008 . . . . . . 115 ALA HN . 15312 1 1492 . 1 1 115 115 ALA CA C 13 52.48 0.14 . . . . . . 115 ALA CA . 15312 1 1493 . 1 1 115 115 ALA HA H 1 4.751 0.009 . . . . . . 115 ALA HA . 15312 1 1494 . 1 1 115 115 ALA C C 13 173.61 0.00 . . . . . . 115 ALA CO . 15312 1 1495 . 1 1 115 115 ALA CB C 13 17.94 0.09 . . . . . . 115 ALA CB . 15312 1 1496 . 1 1 115 115 ALA HB1 H 1 1.454 0.012 . . . . . . 115 ALA HB . 15312 1 1497 . 1 1 115 115 ALA HB2 H 1 1.454 0.012 . . . . . . 115 ALA HB . 15312 1 1498 . 1 1 115 115 ALA HB3 H 1 1.454 0.012 . . . . . . 115 ALA HB . 15312 1 1499 . 1 1 116 116 ASP N N 15 117.70 0.04 . . . . . . 116 ASP N . 15312 1 1500 . 1 1 116 116 ASP H H 1 7.414 0.011 . . . . . . 116 ASP HN . 15312 1 1501 . 1 1 116 116 ASP CA C 13 53.11 0.07 . . . . . . 116 ASP CA . 15312 1 1502 . 1 1 116 116 ASP HA H 1 4.855 0.003 . . . . . . 116 ASP HA . 15312 1 1503 . 1 1 116 116 ASP C C 13 176.16 0.00 . . . . . . 116 ASP CO . 15312 1 1504 . 1 1 116 116 ASP CB C 13 42.13 0.18 . . . . . . 116 ASP CB . 15312 1 1505 . 1 1 116 116 ASP HB2 H 1 3.144 0.004 . . . . . . 116 ASP HB . 15312 1 1506 . 1 1 116 116 ASP HB3 H 1 3.144 0.004 . . . . . . 116 ASP HB . 15312 1 1507 . 1 1 117 117 GLU N N 15 118.35 0.03 . . . . . . 117 GLU N . 15312 1 1508 . 1 1 117 117 GLU H H 1 8.829 0.005 . . . . . . 117 GLU HN . 15312 1 1509 . 1 1 117 117 GLU CA C 13 59.83 0.15 . . . . . . 117 GLU CA . 15312 1 1510 . 1 1 117 117 GLU HA H 1 4.000 0.003 . . . . . . 117 GLU HA . 15312 1 1511 . 1 1 117 117 GLU C C 13 178.65 0.00 . . . . . . 117 GLU CO . 15312 1 1512 . 1 1 117 117 GLU CB C 13 29.73 0.14 . . . . . . 117 GLU CB . 15312 1 1513 . 1 1 117 117 GLU HB2 H 1 2.162 0.008 . . . . . . 117 GLU HB . 15312 1 1514 . 1 1 117 117 GLU HB3 H 1 2.162 0.008 . . . . . . 117 GLU HB . 15312 1 1515 . 1 1 117 117 GLU HG2 H 1 2.360 0.011 . . . . . . 117 GLU HG1 . 15312 1 1516 . 1 1 117 117 GLU HG3 H 1 2.351 0.000 . . . . . . 117 GLU HG . 15312 1 1517 . 1 1 118 118 LYS N N 15 122.48 0.03 . . . . . . 118 LYS N . 15312 1 1518 . 1 1 118 118 LYS H H 1 8.217 0.012 . . . . . . 118 LYS HN . 15312 1 1519 . 1 1 118 118 LYS CA C 13 60.04 0.10 . . . . . . 118 LYS CA . 15312 1 1520 . 1 1 118 118 LYS HA H 1 4.093 0.008 . . . . . . 118 LYS HA . 15312 1 1521 . 1 1 118 118 LYS C C 13 179.74 0.00 . . . . . . 118 LYS CO . 15312 1 1522 . 1 1 118 118 LYS CB C 13 31.89 0.20 . . . . . . 118 LYS CB . 15312 1 1523 . 1 1 118 118 LYS HB2 H 1 2.006 0.023 . . . . . . 118 LYS HB1 . 15312 1 1524 . 1 1 118 118 LYS HB3 H 1 1.999 0.018 . . . . . . 118 LYS HB2 . 15312 1 1525 . 1 1 118 118 LYS CG C 13 25.30 0.01 . . . . . . 118 LYS CG . 15312 1 1526 . 1 1 118 118 LYS HG2 H 1 1.601 0.007 . . . . . . 118 LYS HG1 . 15312 1 1527 . 1 1 118 118 LYS HG3 H 1 1.516 0.005 . . . . . . 118 LYS HG2 . 15312 1 1528 . 1 1 118 118 LYS CD C 13 29.32 0.02 . . . . . . 118 LYS CD . 15312 1 1529 . 1 1 118 118 LYS CE C 13 42.18 0.03 . . . . . . 118 LYS CE . 15312 1 1530 . 1 1 118 118 LYS HD2 H 1 1.779 0.003 . . . . . . 118 LYS HD . 15312 1 1531 . 1 1 118 118 LYS HD3 H 1 1.779 0.003 . . . . . . 118 LYS HD . 15312 1 1532 . 1 1 118 118 LYS HE2 H 1 3.064 0.010 . . . . . . 118 LYS HE . 15312 1 1533 . 1 1 118 118 LYS HE3 H 1 3.064 0.010 . . . . . . 118 LYS HE . 15312 1 1534 . 1 1 119 119 ALA N N 15 124.99 0.04 . . . . . . 119 ALA N . 15312 1 1535 . 1 1 119 119 ALA H H 1 8.667 0.011 . . . . . . 119 ALA HN . 15312 1 1536 . 1 1 119 119 ALA CA C 13 54.96 0.04 . . . . . . 119 ALA CA . 15312 1 1537 . 1 1 119 119 ALA HA H 1 4.532 0.006 . . . . . . 119 ALA HA . 15312 1 1538 . 1 1 119 119 ALA C C 13 180.45 0.00 . . . . . . 119 ALA CO . 15312 1 1539 . 1 1 119 119 ALA CB C 13 18.84 0.09 . . . . . . 119 ALA CB . 15312 1 1540 . 1 1 119 119 ALA HB1 H 1 1.471 0.009 . . . . . . 119 ALA HB . 15312 1 1541 . 1 1 119 119 ALA HB2 H 1 1.471 0.009 . . . . . . 119 ALA HB . 15312 1 1542 . 1 1 119 119 ALA HB3 H 1 1.471 0.009 . . . . . . 119 ALA HB . 15312 1 1543 . 1 1 120 120 GLY N N 15 107.12 0.09 . . . . . . 120 GLY N . 15312 1 1544 . 1 1 120 120 GLY H H 1 8.293 0.011 . . . . . . 120 GLY HN . 15312 1 1545 . 1 1 120 120 GLY CA C 13 47.96 0.08 . . . . . . 120 GLY CA . 15312 1 1546 . 1 1 120 120 GLY HA2 H 1 3.597 0.008 . . . . . . 120 GLY HA1 . 15312 1 1547 . 1 1 120 120 GLY HA3 H 1 3.758 0.008 . . . . . . 120 GLY HA2 . 15312 1 1548 . 1 1 120 120 GLY C C 13 174.61 0.00 . . . . . . 120 GLY CO . 15312 1 1549 . 1 1 121 121 LYS N N 15 122.48 0.04 . . . . . . 121 LYS N . 15312 1 1550 . 1 1 121 121 LYS H H 1 8.123 0.012 . . . . . . 121 LYS HN . 15312 1 1551 . 1 1 121 121 LYS CA C 13 59.66 0.05 . . . . . . 121 LYS CA . 15312 1 1552 . 1 1 121 121 LYS HA H 1 4.179 0.005 . . . . . . 121 LYS HA . 15312 1 1553 . 1 1 121 121 LYS C C 13 179.77 0.00 . . . . . . 121 LYS CO . 15312 1 1554 . 1 1 121 121 LYS CB C 13 32.70 0.07 . . . . . . 121 LYS CB . 15312 1 1555 . 1 1 121 121 LYS CG C 13 25.52 0.00 . . . . . . 121 LYS CG . 15312 1 1556 . 1 1 121 121 LYS HG2 H 1 1.705 0.001 . . . . . . 121 LYS HG1 . 15312 1 1557 . 1 1 121 121 LYS HG3 H 1 1.558 0.008 . . . . . . 121 LYS HG2 . 15312 1 1558 . 1 1 121 121 LYS CD C 13 29.44 0.00 . . . . . . 121 LYS CD . 15312 1 1559 . 1 1 121 121 LYS CE C 13 42.27 0.00 . . . . . . 121 LYS CE . 15312 1 1560 . 1 1 121 121 LYS HB2 H 1 2.046 0.004 . . . . . . 121 LYS HB . 15312 1 1561 . 1 1 121 121 LYS HB3 H 1 2.046 0.004 . . . . . . 121 LYS HB . 15312 1 1562 . 1 1 121 121 LYS HD2 H 1 1.773 0.004 . . . . . . 121 LYS HD . 15312 1 1563 . 1 1 121 121 LYS HD3 H 1 1.773 0.004 . . . . . . 121 LYS HD . 15312 1 1564 . 1 1 121 121 LYS HE2 H 1 3.036 0.005 . . . . . . 121 LYS HE . 15312 1 1565 . 1 1 121 121 LYS HE3 H 1 3.036 0.005 . . . . . . 121 LYS HE . 15312 1 1566 . 1 1 122 122 PHE N N 15 121.84 0.05 . . . . . . 122 PHE N . 15312 1 1567 . 1 1 122 122 PHE H H 1 8.152 0.008 . . . . . . 122 PHE HN . 15312 1 1568 . 1 1 122 122 PHE CA C 13 61.16 0.07 . . . . . . 122 PHE CA . 15312 1 1569 . 1 1 122 122 PHE HA H 1 4.376 0.010 . . . . . . 122 PHE HA . 15312 1 1570 . 1 1 122 122 PHE C C 13 178.03 0.00 . . . . . . 122 PHE CO . 15312 1 1571 . 1 1 122 122 PHE CB C 13 38.97 0.07 . . . . . . 122 PHE CB . 15312 1 1572 . 1 1 122 122 PHE CZ C 13 129.59 0.00 . . . . . . 122 PHE CZ . 15312 1 1573 . 1 1 122 122 PHE HZ H 1 6.988 0.000 . . . . . . 122 PHE HZ . 15312 1 1574 . 1 1 122 122 PHE HB2 H 1 3.417 0.000 . . . . . . 122 PHE HB1 . 15312 1 1575 . 1 1 122 122 PHE HB3 H 1 3.419 0.014 . . . . . . 122 PHE HB . 15312 1 1576 . 1 1 122 122 PHE CD1 C 13 131.93 0.00 . . . . . . 122 PHE CD . 15312 1 1577 . 1 1 122 122 PHE CD2 C 13 131.93 0.00 . . . . . . 122 PHE CD . 15312 1 1578 . 1 1 122 122 PHE HD1 H 1 7.240 0.000 . . . . . . 122 PHE HD . 15312 1 1579 . 1 1 122 122 PHE HD2 H 1 7.240 0.000 . . . . . . 122 PHE HD . 15312 1 1580 . 1 1 122 122 PHE CE1 C 13 130.84 0.00 . . . . . . 122 PHE CE . 15312 1 1581 . 1 1 122 122 PHE CE2 C 13 130.84 0.00 . . . . . . 122 PHE CE . 15312 1 1582 . 1 1 122 122 PHE HE1 H 1 7.101 0.000 . . . . . . 122 PHE HE . 15312 1 1583 . 1 1 122 122 PHE HE2 H 1 7.101 0.000 . . . . . . 122 PHE HE . 15312 1 1584 . 1 1 123 123 VAL N N 15 119.55 0.01 . . . . . . 123 VAL N . 15312 1 1585 . 1 1 123 123 VAL H H 1 8.797 0.012 . . . . . . 123 VAL HN . 15312 1 1586 . 1 1 123 123 VAL CA C 13 67.23 0.16 . . . . . . 123 VAL CA . 15312 1 1587 . 1 1 123 123 VAL HA H 1 3.304 0.018 . . . . . . 123 VAL HA . 15312 1 1588 . 1 1 123 123 VAL C C 13 176.50 0.00 . . . . . . 123 VAL CO . 15312 1 1589 . 1 1 123 123 VAL CB C 13 31.54 0.14 . . . . . . 123 VAL CB . 15312 1 1590 . 1 1 123 123 VAL HB H 1 2.296 0.007 . . . . . . 123 VAL HB . 15312 1 1591 . 1 1 123 123 VAL CG1 C 13 24.80 0.12 . . . . . . 123 VAL CG1 . 15312 1 1592 . 1 1 123 123 VAL HG11 H 1 1.357 0.004 . . . . . . 123 VAL HG1 . 15312 1 1593 . 1 1 123 123 VAL HG12 H 1 1.357 0.004 . . . . . . 123 VAL HG1 . 15312 1 1594 . 1 1 123 123 VAL HG13 H 1 1.357 0.004 . . . . . . 123 VAL HG1 . 15312 1 1595 . 1 1 123 123 VAL CG2 C 13 20.30 0.11 . . . . . . 123 VAL CG2 . 15312 1 1596 . 1 1 123 123 VAL HG21 H 1 0.858 0.009 . . . . . . 123 VAL HG2 . 15312 1 1597 . 1 1 123 123 VAL HG22 H 1 0.858 0.009 . . . . . . 123 VAL HG2 . 15312 1 1598 . 1 1 123 123 VAL HG23 H 1 0.858 0.009 . . . . . . 123 VAL HG2 . 15312 1 1599 . 1 1 124 124 ASN N N 15 117.65 0.05 . . . . . . 124 ASN N . 15312 1 1600 . 1 1 124 124 ASN H H 1 8.695 0.010 . . . . . . 124 ASN HN . 15312 1 1601 . 1 1 124 124 ASN CA C 13 57.50 0.03 . . . . . . 124 ASN CA . 15312 1 1602 . 1 1 124 124 ASN HA H 1 4.206 0.009 . . . . . . 124 ASN HA . 15312 1 1603 . 1 1 124 124 ASN C C 13 178.48 0.00 . . . . . . 124 ASN CO . 15312 1 1604 . 1 1 124 124 ASN CB C 13 39.81 0.06 . . . . . . 124 ASN CB . 15312 1 1605 . 1 1 124 124 ASN HB2 H 1 2.934 0.006 . . . . . . 124 ASN HB1 . 15312 1 1606 . 1 1 124 124 ASN HB3 H 1 2.988 0.007 . . . . . . 124 ASN HB2 . 15312 1 1607 . 1 1 124 124 ASN ND2 N 15 112.19 0.00 . . . . . . 124 ASN ND2 . 15312 1 1608 . 1 1 124 124 ASN HD21 H 1 7.539 0.000 . . . . . . 124 ASN HD21 . 15312 1 1609 . 1 1 124 124 ASN HD22 H 1 6.747 0.000 . . . . . . 124 ASN HD22 . 15312 1 1610 . 1 1 125 125 GLY N N 15 106.45 0.03 . . . . . . 125 GLY N . 15312 1 1611 . 1 1 125 125 GLY H H 1 8.111 0.011 . . . . . . 125 GLY HN . 15312 1 1612 . 1 1 125 125 GLY CA C 13 47.42 0.13 . . . . . . 125 GLY CA . 15312 1 1613 . 1 1 125 125 GLY HA2 H 1 3.822 0.008 . . . . . . 125 GLY HA1 . 15312 1 1614 . 1 1 125 125 GLY HA3 H 1 4.134 0.008 . . . . . . 125 GLY HA2 . 15312 1 1615 . 1 1 125 125 GLY C C 13 176.73 0.00 . . . . . . 125 GLY CO . 15312 1 1616 . 1 1 126 126 VAL N N 15 123.33 0.04 . . . . . . 126 VAL N . 15312 1 1617 . 1 1 126 126 VAL H H 1 7.749 0.012 . . . . . . 126 VAL HN . 15312 1 1618 . 1 1 126 126 VAL CA C 13 66.45 0.08 . . . . . . 126 VAL CA . 15312 1 1619 . 1 1 126 126 VAL HA H 1 3.761 0.010 . . . . . . 126 VAL HA . 15312 1 1620 . 1 1 126 126 VAL C C 13 177.73 0.00 . . . . . . 126 VAL CO . 15312 1 1621 . 1 1 126 126 VAL CB C 13 32.07 0.03 . . . . . . 126 VAL CB . 15312 1 1622 . 1 1 126 126 VAL HB H 1 1.691 0.007 . . . . . . 126 VAL HB . 15312 1 1623 . 1 1 126 126 VAL CG1 C 13 22.26 0.13 . . . . . . 126 VAL CG1 . 15312 1 1624 . 1 1 126 126 VAL HG11 H 1 0.868 0.005 . . . . . . 126 VAL HG1 . 15312 1 1625 . 1 1 126 126 VAL HG12 H 1 0.868 0.005 . . . . . . 126 VAL HG1 . 15312 1 1626 . 1 1 126 126 VAL HG13 H 1 0.868 0.005 . . . . . . 126 VAL HG1 . 15312 1 1627 . 1 1 126 126 VAL CG2 C 13 22.49 0.11 . . . . . . 126 VAL CG2 . 15312 1 1628 . 1 1 126 126 VAL HG21 H 1 0.491 0.004 . . . . . . 126 VAL HG2 . 15312 1 1629 . 1 1 126 126 VAL HG22 H 1 0.491 0.004 . . . . . . 126 VAL HG2 . 15312 1 1630 . 1 1 126 126 VAL HG23 H 1 0.491 0.004 . . . . . . 126 VAL HG2 . 15312 1 1631 . 1 1 127 127 LEU N N 15 119.76 0.03 . . . . . . 127 LEU N . 15312 1 1632 . 1 1 127 127 LEU H H 1 8.884 0.010 . . . . . . 127 LEU HN . 15312 1 1633 . 1 1 127 127 LEU CA C 13 57.74 0.07 . . . . . . 127 LEU CA . 15312 1 1634 . 1 1 127 127 LEU HA H 1 3.922 0.004 . . . . . . 127 LEU HA . 15312 1 1635 . 1 1 127 127 LEU C C 13 178.95 0.00 . . . . . . 127 LEU CO . 15312 1 1636 . 1 1 127 127 LEU CB C 13 41.59 0.03 . . . . . . 127 LEU CB . 15312 1 1637 . 1 1 127 127 LEU HB2 H 1 1.588 0.025 . . . . . . 127 LEU HB1 . 15312 1 1638 . 1 1 127 127 LEU HB3 H 1 1.379 0.016 . . . . . . 127 LEU HB2 . 15312 1 1639 . 1 1 127 127 LEU CG C 13 26.04 0.07 . . . . . . 127 LEU CG . 15312 1 1640 . 1 1 127 127 LEU HG H 1 1.393 0.007 . . . . . . 127 LEU HG . 15312 1 1641 . 1 1 127 127 LEU CD1 C 13 23.62 0.06 . . . . . . 127 LEU CD1 . 15312 1 1642 . 1 1 127 127 LEU HD11 H 1 0.680 0.003 . . . . . . 127 LEU HD1 . 15312 1 1643 . 1 1 127 127 LEU HD12 H 1 0.680 0.003 . . . . . . 127 LEU HD1 . 15312 1 1644 . 1 1 127 127 LEU HD13 H 1 0.680 0.003 . . . . . . 127 LEU HD1 . 15312 1 1645 . 1 1 127 127 LEU CD2 C 13 24.43 0.10 . . . . . . 127 LEU CD2 . 15312 1 1646 . 1 1 127 127 LEU HD21 H 1 0.309 0.012 . . . . . . 127 LEU HD2 . 15312 1 1647 . 1 1 127 127 LEU HD22 H 1 0.309 0.012 . . . . . . 127 LEU HD2 . 15312 1 1648 . 1 1 127 127 LEU HD23 H 1 0.309 0.012 . . . . . . 127 LEU HD2 . 15312 1 1649 . 1 1 128 128 SER N N 15 113.59 0.02 . . . . . . 128 SER N . 15312 1 1650 . 1 1 128 128 SER H H 1 8.451 0.009 . . . . . . 128 SER HN . 15312 1 1651 . 1 1 128 128 SER CA C 13 62.85 0.12 . . . . . . 128 SER CA . 15312 1 1652 . 1 1 128 128 SER HA H 1 4.374 0.011 . . . . . . 128 SER HA . 15312 1 1653 . 1 1 128 128 SER C C 13 175.92 0.00 . . . . . . 128 SER CO . 15312 1 1654 . 1 1 128 128 SER CB C 13 63.00 0.10 . . . . . . 128 SER CB . 15312 1 1655 . 1 1 128 128 SER HB2 H 1 4.125 0.006 . . . . . . 128 SER HB1 . 15312 1 1656 . 1 1 128 128 SER HB3 H 1 3.912 0.008 . . . . . . 128 SER HB2 . 15312 1 1657 . 1 1 129 129 ALA N N 15 125.33 0.09 . . . . . . 129 ALA N . 15312 1 1658 . 1 1 129 129 ALA H H 1 7.567 0.011 . . . . . . 129 ALA HN . 15312 1 1659 . 1 1 129 129 ALA CA C 13 55.40 0.08 . . . . . . 129 ALA CA . 15312 1 1660 . 1 1 129 129 ALA HA H 1 4.142 0.004 . . . . . . 129 ALA HA . 15312 1 1661 . 1 1 129 129 ALA C C 13 180.77 0.00 . . . . . . 129 ALA CO . 15312 1 1662 . 1 1 129 129 ALA CB C 13 18.28 0.06 . . . . . . 129 ALA CB . 15312 1 1663 . 1 1 129 129 ALA HB1 H 1 1.659 0.012 . . . . . . 129 ALA HB . 15312 1 1664 . 1 1 129 129 ALA HB2 H 1 1.659 0.012 . . . . . . 129 ALA HB . 15312 1 1665 . 1 1 129 129 ALA HB3 H 1 1.659 0.012 . . . . . . 129 ALA HB . 15312 1 1666 . 1 1 130 130 ILE N N 15 119.24 0.06 . . . . . . 130 ILE N . 15312 1 1667 . 1 1 130 130 ILE H H 1 8.246 0.005 . . . . . . 130 ILE HN . 15312 1 1668 . 1 1 130 130 ILE CA C 13 64.90 0.09 . . . . . . 130 ILE CA . 15312 1 1669 . 1 1 130 130 ILE HA H 1 2.803 0.011 . . . . . . 130 ILE HA . 15312 1 1670 . 1 1 130 130 ILE C C 13 179.94 0.00 . . . . . . 130 ILE CO . 15312 1 1671 . 1 1 130 130 ILE CB C 13 38.97 0.03 . . . . . . 130 ILE CB . 15312 1 1672 . 1 1 130 130 ILE HB H 1 1.810 0.000 . . . . . . 130 ILE HB . 15312 1 1673 . 1 1 130 130 ILE HG12 H 1 1.134 0.000 . . . . . . 130 ILE HG12 . 15312 1 1674 . 1 1 130 130 ILE CG2 C 13 17.28 0.00 . . . . . . 130 ILE CG2 . 15312 1 1675 . 1 1 130 130 ILE HG21 H 1 0.795 0.000 . . . . . . 130 ILE HG2 . 15312 1 1676 . 1 1 130 130 ILE HG22 H 1 0.795 0.000 . . . . . . 130 ILE HG2 . 15312 1 1677 . 1 1 130 130 ILE HG23 H 1 0.795 0.000 . . . . . . 130 ILE HG2 . 15312 1 1678 . 1 1 130 130 ILE CD1 C 13 14.57 0.00 . . . . . . 130 ILE CD1 . 15312 1 1679 . 1 1 130 130 ILE HD11 H 1 0.778 0.019 . . . . . . 130 ILE HD1 . 15312 1 1680 . 1 1 130 130 ILE HD12 H 1 0.778 0.019 . . . . . . 130 ILE HD1 . 15312 1 1681 . 1 1 130 130 ILE HD13 H 1 0.778 0.019 . . . . . . 130 ILE HD1 . 15312 1 1682 . 1 1 131 131 TYR N N 15 120.52 0.10 . . . . . . 131 TYR N . 15312 1 1683 . 1 1 131 131 TYR H H 1 8.810 0.011 . . . . . . 131 TYR HN . 15312 1 1684 . 1 1 131 131 TYR CA C 13 62.25 0.07 . . . . . . 131 TYR CA . 15312 1 1685 . 1 1 131 131 TYR HA H 1 4.289 0.000 . . . . . . 131 TYR HA . 15312 1 1686 . 1 1 131 131 TYR C C 13 176.92 0.00 . . . . . . 131 TYR CO . 15312 1 1687 . 1 1 131 131 TYR CB C 13 39.46 0.08 . . . . . . 131 TYR CB . 15312 1 1688 . 1 1 131 131 TYR HB2 H 1 3.302 0.000 . . . . . . 131 TYR HB . 15312 1 1689 . 1 1 131 131 TYR HB3 H 1 3.302 0.000 . . . . . . 131 TYR HB . 15312 1 1690 . 1 1 131 131 TYR CD1 C 13 132.59 0.00 . . . . . . 131 TYR CD . 15312 1 1691 . 1 1 131 131 TYR CD2 C 13 132.59 0.00 . . . . . . 131 TYR CD . 15312 1 1692 . 1 1 131 131 TYR HD1 H 1 7.077 0.000 . . . . . . 131 TYR HD . 15312 1 1693 . 1 1 131 131 TYR HD2 H 1 7.077 0.000 . . . . . . 131 TYR HD . 15312 1 1694 . 1 1 131 131 TYR CE1 C 13 118.65 0.00 . . . . . . 131 TYR CE . 15312 1 1695 . 1 1 131 131 TYR CE2 C 13 118.65 0.00 . . . . . . 131 TYR CE . 15312 1 1696 . 1 1 131 131 TYR HE1 H 1 6.842 0.000 . . . . . . 131 TYR HE . 15312 1 1697 . 1 1 131 131 TYR HE2 H 1 6.842 0.000 . . . . . . 131 TYR HE . 15312 1 1698 . 1 1 132 132 LYS N N 15 118.15 0.04 . . . . . . 132 LYS N . 15312 1 1699 . 1 1 132 132 LYS H H 1 8.505 0.012 . . . . . . 132 LYS HN . 15312 1 1700 . 1 1 132 132 LYS CA C 13 59.55 0.04 . . . . . . 132 LYS CA . 15312 1 1701 . 1 1 132 132 LYS HA H 1 3.957 0.005 . . . . . . 132 LYS HA . 15312 1 1702 . 1 1 132 132 LYS C C 13 179.20 0.00 . . . . . . 132 LYS CO . 15312 1 1703 . 1 1 132 132 LYS CB C 13 32.35 0.01 . . . . . . 132 LYS CB . 15312 1 1704 . 1 1 132 132 LYS HB2 H 1 1.974 0.000 . . . . . . 132 LYS HB1 . 15312 1 1705 . 1 1 132 132 LYS HB3 H 1 1.913 0.000 . . . . . . 132 LYS HB2 . 15312 1 1706 . 1 1 132 132 LYS CG C 13 25.52 0.00 . . . . . . 132 LYS CG . 15312 1 1707 . 1 1 132 132 LYS HG2 H 1 1.614 0.000 . . . . . . 132 LYS HG1 . 15312 1 1708 . 1 1 132 132 LYS HG3 H 1 1.456 0.000 . . . . . . 132 LYS HG2 . 15312 1 1709 . 1 1 132 132 LYS CD C 13 29.29 0.00 . . . . . . 132 LYS CD . 15312 1 1710 . 1 1 132 132 LYS CE C 13 42.23 0.00 . . . . . . 132 LYS CE . 15312 1 1711 . 1 1 132 132 LYS HD2 H 1 1.697 0.000 . . . . . . 132 LYS HD . 15312 1 1712 . 1 1 132 132 LYS HD3 H 1 1.697 0.000 . . . . . . 132 LYS HD . 15312 1 1713 . 1 1 132 132 LYS HE2 H 1 2.972 0.008 . . . . . . 132 LYS HE . 15312 1 1714 . 1 1 132 132 LYS HE3 H 1 2.972 0.008 . . . . . . 132 LYS HE . 15312 1 1715 . 1 1 133 133 ALA N N 15 120.88 0.05 . . . . . . 133 ALA N . 15312 1 1716 . 1 1 133 133 ALA H H 1 7.613 0.012 . . . . . . 133 ALA HN . 15312 1 1717 . 1 1 133 133 ALA CA C 13 54.77 0.05 . . . . . . 133 ALA CA . 15312 1 1718 . 1 1 133 133 ALA HA H 1 4.161 0.007 . . . . . . 133 ALA HA . 15312 1 1719 . 1 1 133 133 ALA C C 13 179.43 0.00 . . . . . . 133 ALA CO . 15312 1 1720 . 1 1 133 133 ALA CB C 13 18.52 0.07 . . . . . . 133 ALA CB . 15312 1 1721 . 1 1 133 133 ALA HB1 H 1 1.628 0.009 . . . . . . 133 ALA HB . 15312 1 1722 . 1 1 133 133 ALA HB2 H 1 1.628 0.009 . . . . . . 133 ALA HB . 15312 1 1723 . 1 1 133 133 ALA HB3 H 1 1.628 0.009 . . . . . . 133 ALA HB . 15312 1 1724 . 1 1 134 134 TYR N N 15 119.63 0.08 . . . . . . 134 TYR N . 15312 1 1725 . 1 1 134 134 TYR H H 1 7.871 0.011 . . . . . . 134 TYR HN . 15312 1 1726 . 1 1 134 134 TYR CA C 13 60.28 0.04 . . . . . . 134 TYR CA . 15312 1 1727 . 1 1 134 134 TYR HA H 1 4.350 0.016 . . . . . . 134 TYR HA . 15312 1 1728 . 1 1 134 134 TYR C C 13 178.80 0.00 . . . . . . 134 TYR CO . 15312 1 1729 . 1 1 134 134 TYR CB C 13 38.74 0.04 . . . . . . 134 TYR CB . 15312 1 1730 . 1 1 134 134 TYR HB2 H 1 3.070 0.004 . . . . . . 134 TYR HB1 . 15312 1 1731 . 1 1 134 134 TYR HB3 H 1 3.096 0.000 . . . . . . 134 TYR HB2 . 15312 1 1732 . 1 1 134 134 TYR CD1 C 13 133.27 0.00 . . . . . . 134 TYR CD . 15312 1 1733 . 1 1 134 134 TYR CD2 C 13 133.27 0.00 . . . . . . 134 TYR CD . 15312 1 1734 . 1 1 134 134 TYR HD1 H 1 6.963 0.000 . . . . . . 134 TYR HD . 15312 1 1735 . 1 1 134 134 TYR HD2 H 1 6.963 0.000 . . . . . . 134 TYR HD . 15312 1 1736 . 1 1 134 134 TYR CE1 C 13 118.09 0.00 . . . . . . 134 TYR CE . 15312 1 1737 . 1 1 134 134 TYR CE2 C 13 118.09 0.00 . . . . . . 134 TYR CE . 15312 1 1738 . 1 1 134 134 TYR HE1 H 1 6.760 0.000 . . . . . . 134 TYR HE . 15312 1 1739 . 1 1 134 134 TYR HE2 H 1 6.760 0.000 . . . . . . 134 TYR HE . 15312 1 1740 . 1 1 135 135 ILE N N 15 118.40 0.08 . . . . . . 135 ILE N . 15312 1 1741 . 1 1 135 135 ILE H H 1 8.269 0.011 . . . . . . 135 ILE HN . 15312 1 1742 . 1 1 135 135 ILE CA C 13 62.54 0.07 . . . . . . 135 ILE CA . 15312 1 1743 . 1 1 135 135 ILE HA H 1 3.644 0.009 . . . . . . 135 ILE HA . 15312 1 1744 . 1 1 135 135 ILE C C 13 178.03 0.00 . . . . . . 135 ILE CO . 15312 1 1745 . 1 1 135 135 ILE CB C 13 37.39 0.03 . . . . . . 135 ILE CB . 15312 1 1746 . 1 1 135 135 ILE HB H 1 1.782 0.003 . . . . . . 135 ILE HB . 15312 1 1747 . 1 1 135 135 ILE CG1 C 13 26.88 0.07 . . . . . . 135 ILE CG1 . 15312 1 1748 . 1 1 135 135 ILE CG2 C 13 17.83 0.12 . . . . . . 135 ILE CG2 . 15312 1 1749 . 1 1 135 135 ILE HG21 H 1 0.692 0.002 . . . . . . 135 ILE HG2 . 15312 1 1750 . 1 1 135 135 ILE HG22 H 1 0.692 0.002 . . . . . . 135 ILE HG2 . 15312 1 1751 . 1 1 135 135 ILE HG23 H 1 0.692 0.002 . . . . . . 135 ILE HG2 . 15312 1 1752 . 1 1 135 135 ILE CD1 C 13 12.18 0.12 . . . . . . 135 ILE CD1 . 15312 1 1753 . 1 1 135 135 ILE HD11 H 1 0.688 0.010 . . . . . . 135 ILE HD1 . 15312 1 1754 . 1 1 135 135 ILE HD12 H 1 0.688 0.010 . . . . . . 135 ILE HD1 . 15312 1 1755 . 1 1 135 135 ILE HD13 H 1 0.688 0.010 . . . . . . 135 ILE HD1 . 15312 1 1756 . 1 1 135 135 ILE HG12 H 1 1.151 0.004 . . . . . . 135 ILE HG1 . 15312 1 1757 . 1 1 135 135 ILE HG13 H 1 1.151 0.004 . . . . . . 135 ILE HG1 . 15312 1 1758 . 1 1 136 136 THR N N 15 113.33 0.05 . . . . . . 136 THR N . 15312 1 1759 . 1 1 136 136 THR H H 1 7.681 0.006 . . . . . . 136 THR HN . 15312 1 1760 . 1 1 136 136 THR CA C 13 63.61 0.07 . . . . . . 136 THR CA . 15312 1 1761 . 1 1 136 136 THR HA H 1 4.204 0.006 . . . . . . 136 THR HA . 15312 1 1762 . 1 1 136 136 THR C C 13 175.15 0.00 . . . . . . 136 THR CO . 15312 1 1763 . 1 1 136 136 THR CB C 13 69.58 0.05 . . . . . . 136 THR CB . 15312 1 1764 . 1 1 136 136 THR HB H 1 4.303 0.000 . . . . . . 136 THR HB . 15312 1 1765 . 1 1 136 136 THR HG21 H 1 1.265 0.003 . . . . . . 136 THR HG2 . 15312 1 1766 . 1 1 136 136 THR HG22 H 1 1.265 0.003 . . . . . . 136 THR HG2 . 15312 1 1767 . 1 1 136 136 THR HG23 H 1 1.265 0.003 . . . . . . 136 THR HG2 . 15312 1 1768 . 1 1 137 137 SER N N 15 116.61 0.05 . . . . . . 137 SER N . 15312 1 1769 . 1 1 137 137 SER H H 1 7.716 0.004 . . . . . . 137 SER HN . 15312 1 1770 . 1 1 137 137 SER CA C 13 59.19 0.03 . . . . . . 137 SER CA . 15312 1 1771 . 1 1 137 137 SER CB C 13 63.89 0.04 . . . . . . 137 SER CB . 15312 1 1772 . 1 1 138 138 SER N N 15 117.27 0.05 . . . . . . 138 SER N . 15312 1 1773 . 1 1 138 138 SER H H 1 7.932 0.010 . . . . . . 138 SER HN . 15312 1 1774 . 1 1 139 139 LYS CA C 13 56.57 0.06 . . . . . . 139 LYS CA . 15312 1 1775 . 1 1 139 139 LYS C C 13 176.49 0.00 . . . . . . 139 LYS CO . 15312 1 1776 . 1 1 139 139 LYS CB C 13 32.94 0.01 . . . . . . 139 LYS CB . 15312 1 1777 . 1 1 139 139 LYS CG C 13 24.76 0.00 . . . . . . 139 LYS CG . 15312 1 1778 . 1 1 139 139 LYS CD C 13 29.07 0.00 . . . . . . 139 LYS CD . 15312 1 1779 . 1 1 139 139 LYS CE C 13 42.21 0.00 . . . . . . 139 LYS CE . 15312 1 1780 . 1 1 140 140 GLU N N 15 121.02 0.04 . . . . . . 140 GLU N . 15312 1 1781 . 1 1 140 140 GLU H H 1 8.159 0.008 . . . . . . 140 GLU HN . 15312 1 1782 . 1 1 140 140 GLU CA C 13 56.50 0.07 . . . . . . 140 GLU CA . 15312 1 1783 . 1 1 140 140 GLU CB C 13 30.44 0.05 . . . . . . 140 GLU CB . 15312 1 1784 . 1 1 140 140 GLU CG C 13 36.34 0.00 . . . . . . 140 GLU CG . 15312 1 1785 . 1 1 141 141 GLU N N 15 122.38 0.08 . . . . . . 141 GLU N . 15312 1 1786 . 1 1 141 141 GLU H H 1 8.294 0.002 . . . . . . 141 GLU HN . 15312 1 1787 . 1 1 141 141 GLU CA C 13 56.43 0.05 . . . . . . 141 GLU CA . 15312 1 1788 . 1 1 141 141 GLU HA H 1 4.311 0.000 . . . . . . 141 GLU HA . 15312 1 1789 . 1 1 141 141 GLU C C 13 176.03 0.00 . . . . . . 141 GLU CO . 15312 1 1790 . 1 1 141 141 GLU CB C 13 30.56 0.04 . . . . . . 141 GLU CB . 15312 1 1791 . 1 1 141 141 GLU CG C 13 36.29 0.00 . . . . . . 141 GLU CG . 15312 1 1792 . 1 1 141 141 GLU HB2 H 1 2.263 0.000 . . . . . . 141 GLU HB . 15312 1 1793 . 1 1 141 141 GLU HB3 H 1 2.263 0.000 . . . . . . 141 GLU HB . 15312 1 1794 . 1 1 142 142 LYS N N 15 123.67 0.05 . . . . . . 142 LYS N . 15312 1 1795 . 1 1 142 142 LYS H H 1 8.309 0.015 . . . . . . 142 LYS HN . 15312 1 1796 . 1 1 142 142 LYS CA C 13 54.14 0.00 . . . . . . 142 LYS CA . 15312 1 1797 . 1 1 142 142 LYS HA H 1 4.659 0.000 . . . . . . 142 LYS HA . 15312 1 1798 . 1 1 142 142 LYS CB C 13 32.78 0.00 . . . . . . 142 LYS CB . 15312 1 1799 . 1 1 142 142 LYS HG2 H 1 1.467 0.000 . . . . . . 142 LYS HG . 15312 1 1800 . 1 1 142 142 LYS HG3 H 1 1.467 0.000 . . . . . . 142 LYS HG . 15312 1 1801 . 1 1 142 142 LYS HD2 H 1 1.790 0.000 . . . . . . 142 LYS HD . 15312 1 1802 . 1 1 142 142 LYS HD3 H 1 1.790 0.000 . . . . . . 142 LYS HD . 15312 1 1803 . 1 1 143 143 PRO CA C 13 63.50 0.11 . . . . . . 143 PRO CA . 15312 1 1804 . 1 1 143 143 PRO HA H 1 4.479 0.015 . . . . . . 143 PRO HA . 15312 1 1805 . 1 1 143 143 PRO C C 13 176.27 0.00 . . . . . . 143 PRO CO . 15312 1 1806 . 1 1 143 143 PRO CB C 13 32.15 0.06 . . . . . . 143 PRO CB . 15312 1 1807 . 1 1 143 143 PRO HB2 H 1 2.336 0.000 . . . . . . 143 PRO HB1 . 15312 1 1808 . 1 1 143 143 PRO HB3 H 1 2.038 0.000 . . . . . . 143 PRO HB2 . 15312 1 1809 . 1 1 143 143 PRO CG C 13 27.36 0.00 . . . . . . 143 PRO CG . 15312 1 1810 . 1 1 143 143 PRO HG2 H 1 1.990 0.000 . . . . . . 143 PRO HG1 . 15312 1 1811 . 1 1 143 143 PRO CD C 13 50.86 0.00 . . . . . . 143 PRO CD . 15312 1 1812 . 1 1 143 143 PRO HD2 H 1 3.814 0.000 . . . . . . 143 PRO HD1 . 15312 1 1813 . 1 1 143 143 PRO HD3 H 1 3.716 0.000 . . . . . . 143 PRO HD2 . 15312 1 1814 . 1 1 144 144 SER N N 15 121.78 0.04 . . . . . . 144 SER N . 15312 1 1815 . 1 1 144 144 SER H H 1 7.977 0.012 . . . . . . 144 SER HN . 15312 1 1816 . 1 1 144 144 SER CA C 13 59.97 0.00 . . . . . . 144 SER CA . 15312 1 1817 . 1 1 144 144 SER CB C 13 65.07 0.00 . . . . . . 144 SER CB . 15312 1 1818 . 1 1 145 145 LEU CA C 13 55.10 0.00 . . . . . . 145 LEU CA . 15312 1 1819 . 1 1 145 145 LEU CB C 13 42.48 0.00 . . . . . . 145 LEU CB . 15312 1 1820 . 1 1 146 146 LYS N N 15 122.32 0.02 . . . . . . 146 LYS N . 15312 1 1821 . 1 1 146 146 LYS H H 1 8.285 0.007 . . . . . . 146 LYS HN . 15312 1 1822 . 1 1 147 147 SER CA C 13 58.26 0.06 . . . . . . 147 SER CA . 15312 1 1823 . 1 1 148 148 GLU N N 15 127.73 0.05 . . . . . . 148 GLU N . 15312 1 1824 . 1 1 148 148 GLU H H 1 7.977 0.013 . . . . . . 148 GLU HN . 15312 1 1825 . 1 1 148 148 GLU CB C 13 31.30 0.00 . . . . . . 148 GLU CB . 15312 1 1826 . 1 1 148 148 GLU HB2 H 1 1.924 0.000 . . . . . . 148 GLU HB . 15312 1 1827 . 1 1 148 148 GLU HB3 H 1 1.924 0.000 . . . . . . 148 GLU HB . 15312 1 1828 . 1 1 148 148 GLU HG2 H 1 2.184 0.000 . . . . . . 148 GLU HG . 15312 1 1829 . 1 1 148 148 GLU HG3 H 1 2.184 0.000 . . . . . . 148 GLU HG . 15312 1 stop_ save_