data_19498 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19498 _Entry.Title ; gp1.2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-09-16 _Entry.Accession_date 2013-09-16 _Entry.Last_release_date 2016-04-18 _Entry.Original_release_date 2016-04-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 11 STRUCTURES' _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 Geoffrey Mueller . . . . 19498 2 Robert London . . . . 19498 3 Roel Schaaper . . . . 19498 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' . 19498 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID inhibitor . 19498 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19498 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 266 19498 '15N chemical shifts' 75 19498 '1H chemical shifts' 488 19498 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 . . 2016-04-18 . original BMRB . 19498 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19498 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; The bacteriophage T7 encoded inhibitor (gp1.2) of E. coli dGTP triphosphohydrolase ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Deepa Singh . . . . 19498 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19498 _Assembly.ID 1 _Assembly.Name 'bacteriophage T7 encoded inhibitor (gp1.2)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'bacteriophage T7 encoded inhibitor (gp1.2)' 1 $entity A . yes native no no . . . 19498 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19498 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MGRLYSGNLAAFKAATNKLF QLDLAVIYDDWYDAYTRKDC IRLRIEDRSGNLIDTSTFYH HDEDVLFNMCTDWLNHMYDQ LKDWKMGRLYSGNLAAFKAA TNKLFQLDLAVIYDDWYDAY TRKDCIRLRIEDRSGNLIDT STFYHHDEDVLFNMCTDWLN HMYDQLKDWK ; _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 170 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 20389.061 _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 . 19498 1 2 . GLY . 19498 1 3 . ARG . 19498 1 4 . LEU . 19498 1 5 . TYR . 19498 1 6 . SER . 19498 1 7 . GLY . 19498 1 8 . ASN . 19498 1 9 . LEU . 19498 1 10 . ALA . 19498 1 11 . ALA . 19498 1 12 . PHE . 19498 1 13 . LYS . 19498 1 14 . ALA . 19498 1 15 . ALA . 19498 1 16 . THR . 19498 1 17 . ASN . 19498 1 18 . LYS . 19498 1 19 . LEU . 19498 1 20 . PHE . 19498 1 21 . GLN . 19498 1 22 . LEU . 19498 1 23 . ASP . 19498 1 24 . LEU . 19498 1 25 . ALA . 19498 1 26 . VAL . 19498 1 27 . ILE . 19498 1 28 . TYR . 19498 1 29 . ASP . 19498 1 30 . ASP . 19498 1 31 . TRP . 19498 1 32 . TYR . 19498 1 33 . ASP . 19498 1 34 . ALA . 19498 1 35 . TYR . 19498 1 36 . THR . 19498 1 37 . ARG . 19498 1 38 . LYS . 19498 1 39 . ASP . 19498 1 40 . CYS . 19498 1 41 . ILE . 19498 1 42 . ARG . 19498 1 43 . LEU . 19498 1 44 . ARG . 19498 1 45 . ILE . 19498 1 46 . GLU . 19498 1 47 . ASP . 19498 1 48 . ARG . 19498 1 49 . SER . 19498 1 50 . GLY . 19498 1 51 . ASN . 19498 1 52 . LEU . 19498 1 53 . ILE . 19498 1 54 . ASP . 19498 1 55 . THR . 19498 1 56 . SER . 19498 1 57 . THR . 19498 1 58 . PHE . 19498 1 59 . TYR . 19498 1 60 . HIS . 19498 1 61 . HIS . 19498 1 62 . ASP . 19498 1 63 . GLU . 19498 1 64 . ASP . 19498 1 65 . VAL . 19498 1 66 . LEU . 19498 1 67 . PHE . 19498 1 68 . ASN . 19498 1 69 . MET . 19498 1 70 . CYS . 19498 1 71 . THR . 19498 1 72 . ASP . 19498 1 73 . TRP . 19498 1 74 . LEU . 19498 1 75 . ASN . 19498 1 76 . HIS . 19498 1 77 . MET . 19498 1 78 . TYR . 19498 1 79 . ASP . 19498 1 80 . GLN . 19498 1 81 . LEU . 19498 1 82 . LYS . 19498 1 83 . ASP . 19498 1 84 . TRP . 19498 1 85 . LYS . 19498 1 86 . MET . 19498 1 87 . GLY . 19498 1 88 . ARG . 19498 1 89 . LEU . 19498 1 90 . TYR . 19498 1 91 . SER . 19498 1 92 . GLY . 19498 1 93 . ASN . 19498 1 94 . LEU . 19498 1 95 . ALA . 19498 1 96 . ALA . 19498 1 97 . PHE . 19498 1 98 . LYS . 19498 1 99 . ALA . 19498 1 100 . ALA . 19498 1 101 . THR . 19498 1 102 . ASN . 19498 1 103 . LYS . 19498 1 104 . LEU . 19498 1 105 . PHE . 19498 1 106 . GLN . 19498 1 107 . LEU . 19498 1 108 . ASP . 19498 1 109 . LEU . 19498 1 110 . ALA . 19498 1 111 . VAL . 19498 1 112 . ILE . 19498 1 113 . TYR . 19498 1 114 . ASP . 19498 1 115 . ASP . 19498 1 116 . TRP . 19498 1 117 . TYR . 19498 1 118 . ASP . 19498 1 119 . ALA . 19498 1 120 . TYR . 19498 1 121 . THR . 19498 1 122 . ARG . 19498 1 123 . LYS . 19498 1 124 . ASP . 19498 1 125 . CYS . 19498 1 126 . ILE . 19498 1 127 . ARG . 19498 1 128 . LEU . 19498 1 129 . ARG . 19498 1 130 . ILE . 19498 1 131 . GLU . 19498 1 132 . ASP . 19498 1 133 . ARG . 19498 1 134 . SER . 19498 1 135 . GLY . 19498 1 136 . ASN . 19498 1 137 . LEU . 19498 1 138 . ILE . 19498 1 139 . ASP . 19498 1 140 . THR . 19498 1 141 . SER . 19498 1 142 . THR . 19498 1 143 . PHE . 19498 1 144 . TYR . 19498 1 145 . HIS . 19498 1 146 . HIS . 19498 1 147 . ASP . 19498 1 148 . GLU . 19498 1 149 . ASP . 19498 1 150 . VAL . 19498 1 151 . LEU . 19498 1 152 . PHE . 19498 1 153 . ASN . 19498 1 154 . MET . 19498 1 155 . CYS . 19498 1 156 . THR . 19498 1 157 . ASP . 19498 1 158 . TRP . 19498 1 159 . LEU . 19498 1 160 . ASN . 19498 1 161 . HIS . 19498 1 162 . MET . 19498 1 163 . TYR . 19498 1 164 . ASP . 19498 1 165 . GLN . 19498 1 166 . LEU . 19498 1 167 . LYS . 19498 1 168 . ASP . 19498 1 169 . TRP . 19498 1 170 . LYS . 19498 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 19498 1 . GLY 2 2 19498 1 . ARG 3 3 19498 1 . LEU 4 4 19498 1 . TYR 5 5 19498 1 . SER 6 6 19498 1 . GLY 7 7 19498 1 . ASN 8 8 19498 1 . LEU 9 9 19498 1 . ALA 10 10 19498 1 . ALA 11 11 19498 1 . PHE 12 12 19498 1 . LYS 13 13 19498 1 . ALA 14 14 19498 1 . ALA 15 15 19498 1 . THR 16 16 19498 1 . ASN 17 17 19498 1 . LYS 18 18 19498 1 . LEU 19 19 19498 1 . PHE 20 20 19498 1 . GLN 21 21 19498 1 . LEU 22 22 19498 1 . ASP 23 23 19498 1 . LEU 24 24 19498 1 . ALA 25 25 19498 1 . VAL 26 26 19498 1 . ILE 27 27 19498 1 . TYR 28 28 19498 1 . ASP 29 29 19498 1 . ASP 30 30 19498 1 . TRP 31 31 19498 1 . TYR 32 32 19498 1 . ASP 33 33 19498 1 . ALA 34 34 19498 1 . TYR 35 35 19498 1 . THR 36 36 19498 1 . ARG 37 37 19498 1 . LYS 38 38 19498 1 . ASP 39 39 19498 1 . CYS 40 40 19498 1 . ILE 41 41 19498 1 . ARG 42 42 19498 1 . LEU 43 43 19498 1 . ARG 44 44 19498 1 . ILE 45 45 19498 1 . GLU 46 46 19498 1 . ASP 47 47 19498 1 . ARG 48 48 19498 1 . SER 49 49 19498 1 . GLY 50 50 19498 1 . ASN 51 51 19498 1 . LEU 52 52 19498 1 . ILE 53 53 19498 1 . ASP 54 54 19498 1 . THR 55 55 19498 1 . SER 56 56 19498 1 . THR 57 57 19498 1 . PHE 58 58 19498 1 . TYR 59 59 19498 1 . HIS 60 60 19498 1 . HIS 61 61 19498 1 . ASP 62 62 19498 1 . GLU 63 63 19498 1 . ASP 64 64 19498 1 . VAL 65 65 19498 1 . LEU 66 66 19498 1 . PHE 67 67 19498 1 . ASN 68 68 19498 1 . MET 69 69 19498 1 . CYS 70 70 19498 1 . THR 71 71 19498 1 . ASP 72 72 19498 1 . TRP 73 73 19498 1 . LEU 74 74 19498 1 . ASN 75 75 19498 1 . HIS 76 76 19498 1 . MET 77 77 19498 1 . TYR 78 78 19498 1 . ASP 79 79 19498 1 . GLN 80 80 19498 1 . LEU 81 81 19498 1 . LYS 82 82 19498 1 . ASP 83 83 19498 1 . TRP 84 84 19498 1 . LYS 85 85 19498 1 . MET 86 86 19498 1 . GLY 87 87 19498 1 . ARG 88 88 19498 1 . LEU 89 89 19498 1 . TYR 90 90 19498 1 . SER 91 91 19498 1 . GLY 92 92 19498 1 . ASN 93 93 19498 1 . LEU 94 94 19498 1 . ALA 95 95 19498 1 . ALA 96 96 19498 1 . PHE 97 97 19498 1 . LYS 98 98 19498 1 . ALA 99 99 19498 1 . ALA 100 100 19498 1 . THR 101 101 19498 1 . ASN 102 102 19498 1 . LYS 103 103 19498 1 . LEU 104 104 19498 1 . PHE 105 105 19498 1 . GLN 106 106 19498 1 . LEU 107 107 19498 1 . ASP 108 108 19498 1 . LEU 109 109 19498 1 . ALA 110 110 19498 1 . VAL 111 111 19498 1 . ILE 112 112 19498 1 . TYR 113 113 19498 1 . ASP 114 114 19498 1 . ASP 115 115 19498 1 . TRP 116 116 19498 1 . TYR 117 117 19498 1 . ASP 118 118 19498 1 . ALA 119 119 19498 1 . TYR 120 120 19498 1 . THR 121 121 19498 1 . ARG 122 122 19498 1 . LYS 123 123 19498 1 . ASP 124 124 19498 1 . CYS 125 125 19498 1 . ILE 126 126 19498 1 . ARG 127 127 19498 1 . LEU 128 128 19498 1 . ARG 129 129 19498 1 . ILE 130 130 19498 1 . GLU 131 131 19498 1 . ASP 132 132 19498 1 . ARG 133 133 19498 1 . SER 134 134 19498 1 . GLY 135 135 19498 1 . ASN 136 136 19498 1 . LEU 137 137 19498 1 . ILE 138 138 19498 1 . ASP 139 139 19498 1 . THR 140 140 19498 1 . SER 141 141 19498 1 . THR 142 142 19498 1 . PHE 143 143 19498 1 . TYR 144 144 19498 1 . HIS 145 145 19498 1 . HIS 146 146 19498 1 . ASP 147 147 19498 1 . GLU 148 148 19498 1 . ASP 149 149 19498 1 . VAL 150 150 19498 1 . LEU 151 151 19498 1 . PHE 152 152 19498 1 . ASN 153 153 19498 1 . MET 154 154 19498 1 . CYS 155 155 19498 1 . THR 156 156 19498 1 . ASP 157 157 19498 1 . TRP 158 158 19498 1 . LEU 159 159 19498 1 . ASN 160 160 19498 1 . HIS 161 161 19498 1 . MET 162 162 19498 1 . TYR 163 163 19498 1 . ASP 164 164 19498 1 . GLN 165 165 19498 1 . LEU 166 166 19498 1 . LYS 167 167 19498 1 . ASP 168 168 19498 1 . TRP 169 169 19498 1 . LYS 170 170 19498 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 19498 _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 $entity . 10760 virus . 'Bacteriophage T7' 'Bacteriophage T7' . . Viruses . Bacteriophage T7 . . . . . . . . . . . . . 19498 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 19498 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pDest566 . . . 19498 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19498 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.2 . . mM . . . . 19498 1 2 'sodium chloride' 'natural abundance' . . . . . . 46 . . mM . . . . 19498 1 3 'potassium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 19498 1 4 'sodium phosphate' 'natural abundance' . . . . . . 1.4 . . mM . . . . 19498 1 5 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19498 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19498 1 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19498 1 stop_ save_ save_sample_1plusphage _Sample.Sf_category sample _Sample.Sf_framecode sample_1plusphage _Sample.Entry_ID 19498 _Sample.ID 2 _Sample.Type 'filamentous virus' _Sample.Sub_type . _Sample.Details . _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 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.2 . . mM . . . . 19498 2 2 'sodium chloride' 'natural abundance' . . . . . . 46 . . mM . . . . 19498 2 3 'potassium chloride' 'natural abundance' . . . . . . 1 . . mM . . . . 19498 2 4 'sodium phosphate' 'natural abundance' . . . . . . 1.4 . . mM . . . . 19498 2 5 'potassium phosphate' 'natural abundance' . . . . . . 0.05 . . mM . . . . 19498 2 6 'Pf1 phage' 'natural abundance' . . . . . . 50 . . mg/mL . . . . 19498 2 7 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19498 2 8 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19498 2 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 19498 _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 'ionic strength' 69.8 . mM 19498 1 pH 7.4 . pH 19498 1 pressure 1 . atm 19498 1 temperature 273 . K 19498 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Software.Sf_category software _Software.Sf_framecode VNMRJ _Software.Entry_ID 19498 _Software.ID 1 _Software.Name VNMRJ _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Varian . . 19498 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19498 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19498 _Software.ID 2 _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' . . 19498 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 19498 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19498 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19498 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19498 3 stop_ save_ save_CS-Rosetta _Software.Sf_category software _Software.Sf_framecode CS-Rosetta _Software.Entry_ID 19498 _Software.ID 4 _Software.Name CS-Rosetta _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Shen, Vernon, Baker and Bax' . . 19498 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19498 4 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19498 _Software.ID 5 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19498 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19498 5 stop_ save_ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 19498 _Software.ID 6 _Software.Name 'X-PLOR NIH' _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 19498 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 19498 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19498 _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 19498 _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 19498 _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 . . . 19498 1 2 spectrometer_2 Varian INOVA . 800 . . . 19498 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 19498 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19498 1 2 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19498 1 3 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19498 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19498 1 5 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19498 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19498 1 7 '3D H(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19498 1 8 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19498 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19498 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19498 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 anisotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19498 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 19498 _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 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . 19498 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.000000000 . . . . . 19498 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . 19498 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 19498 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' 1 $sample_1 . 19498 1 2 '2D 1H-13C HSQC aliphatic' 1 $sample_1 . 19498 1 3 '2D 1H-13C HSQC aromatic' 1 $sample_1 . 19498 1 4 '3D CBCA(CO)NH' 1 $sample_1 . 19498 1 5 '3D C(CO)NH' 1 $sample_1 . 19498 1 6 '3D HCCH-TOCSY' 1 $sample_1 . 19498 1 7 '3D H(CCO)NH' 1 $sample_1 . 19498 1 8 '3D HNCACB' 1 $sample_1 . 19498 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 HE1 H 1 1.944 0.000 . 1 . . . A 1 MET HE1 . 19498 1 2 . 1 1 1 1 MET HE2 H 1 1.944 0.000 . 1 . . . A 1 MET HE2 . 19498 1 3 . 1 1 1 1 MET HE3 H 1 1.944 0.000 . 1 . . . A 1 MET HE3 . 19498 1 4 . 1 1 1 1 MET CE C 13 17.040 0.000 . 1 . . . A 1 MET CE . 19498 1 5 . 1 1 6 6 SER CA C 13 56.008 0.000 . 1 . . . A 6 SER CA . 19498 1 6 . 1 1 7 7 GLY H H 1 8.432 0.000 . 1 . . . A 7 GLY H . 19498 1 7 . 1 1 7 7 GLY HA2 H 1 3.940 0.000 . 2 . . . A 7 GLY HA2 . 19498 1 8 . 1 1 7 7 GLY HA3 H 1 3.770 0.000 . 2 . . . A 7 GLY HA3 . 19498 1 9 . 1 1 7 7 GLY CA C 13 46.042 0.000 . 1 . . . A 7 GLY CA . 19498 1 10 . 1 1 7 7 GLY N N 15 109.496 0.000 . 1 . . . A 7 GLY N . 19498 1 11 . 1 1 8 8 ASN H H 1 8.367 0.000 . 1 . . . A 8 ASN H . 19498 1 12 . 1 1 8 8 ASN HA H 1 4.685 0.000 . 1 . . . A 8 ASN HA . 19498 1 13 . 1 1 8 8 ASN HB2 H 1 2.782 0.000 . 1 . . . A 8 ASN HB2 . 19498 1 14 . 1 1 8 8 ASN HB3 H 1 2.782 0.000 . 1 . . . A 8 ASN HB3 . 19498 1 15 . 1 1 8 8 ASN CA C 13 53.922 0.000 . 1 . . . A 8 ASN CA . 19498 1 16 . 1 1 8 8 ASN CB C 13 37.970 0.000 . 1 . . . A 8 ASN CB . 19498 1 17 . 1 1 8 8 ASN N N 15 119.432 0.000 . 1 . . . A 8 ASN N . 19498 1 18 . 1 1 9 9 LEU H H 1 7.922 0.000 . 1 . . . A 9 LEU H . 19498 1 19 . 1 1 9 9 LEU HA H 1 3.984 0.000 . 1 . . . A 9 LEU HA . 19498 1 20 . 1 1 9 9 LEU HB2 H 1 1.624 0.000 . 1 . . . A 9 LEU HB2 . 19498 1 21 . 1 1 9 9 LEU HB3 H 1 1.624 0.000 . 1 . . . A 9 LEU HB3 . 19498 1 22 . 1 1 9 9 LEU HG H 1 1.359 0.000 . 1 . . . A 9 LEU HG . 19498 1 23 . 1 1 9 9 LEU HD11 H 1 0.544 0.000 . 2 . . . A 9 LEU HD11 . 19498 1 24 . 1 1 9 9 LEU HD12 H 1 0.544 0.000 . 2 . . . A 9 LEU HD12 . 19498 1 25 . 1 1 9 9 LEU HD13 H 1 0.544 0.000 . 2 . . . A 9 LEU HD13 . 19498 1 26 . 1 1 9 9 LEU HD21 H 1 0.419 0.000 . 2 . . . A 9 LEU HD21 . 19498 1 27 . 1 1 9 9 LEU HD22 H 1 0.419 0.000 . 2 . . . A 9 LEU HD22 . 19498 1 28 . 1 1 9 9 LEU HD23 H 1 0.419 0.000 . 2 . . . A 9 LEU HD23 . 19498 1 29 . 1 1 9 9 LEU CA C 13 56.417 0.000 . 1 . . . A 9 LEU CA . 19498 1 30 . 1 1 9 9 LEU CB C 13 41.566 0.000 . 1 . . . A 9 LEU CB . 19498 1 31 . 1 1 9 9 LEU CG C 13 27.051 0.000 . 1 . . . A 9 LEU CG . 19498 1 32 . 1 1 9 9 LEU CD1 C 13 24.053 0.000 . 2 . . . A 9 LEU CD1 . 19498 1 33 . 1 1 9 9 LEU CD2 C 13 24.081 0.000 . 2 . . . A 9 LEU CD2 . 19498 1 34 . 1 1 9 9 LEU N N 15 123.537 0.000 . 1 . . . A 9 LEU N . 19498 1 35 . 1 1 10 10 ALA H H 1 8.064 0.000 . 1 . . . A 10 ALA H . 19498 1 36 . 1 1 10 10 ALA HA H 1 4.127 0.000 . 1 . . . A 10 ALA HA . 19498 1 37 . 1 1 10 10 ALA HB1 H 1 1.416 0.000 . 1 . . . A 10 ALA HB1 . 19498 1 38 . 1 1 10 10 ALA HB2 H 1 1.416 0.000 . 1 . . . A 10 ALA HB2 . 19498 1 39 . 1 1 10 10 ALA HB3 H 1 1.416 0.000 . 1 . . . A 10 ALA HB3 . 19498 1 40 . 1 1 10 10 ALA CA C 13 55.912 0.000 . 1 . . . A 10 ALA CA . 19498 1 41 . 1 1 10 10 ALA CB C 13 17.998 0.000 . 1 . . . A 10 ALA CB . 19498 1 42 . 1 1 10 10 ALA N N 15 122.287 0.000 . 1 . . . A 10 ALA N . 19498 1 43 . 1 1 11 11 ALA H H 1 8.143 0.000 . 1 . . . A 11 ALA H . 19498 1 44 . 1 1 11 11 ALA HA H 1 4.207 0.000 . 1 . . . A 11 ALA HA . 19498 1 45 . 1 1 11 11 ALA HB1 H 1 1.505 0.000 . 1 . . . A 11 ALA HB1 . 19498 1 46 . 1 1 11 11 ALA HB2 H 1 1.505 0.000 . 1 . . . A 11 ALA HB2 . 19498 1 47 . 1 1 11 11 ALA HB3 H 1 1.505 0.000 . 1 . . . A 11 ALA HB3 . 19498 1 48 . 1 1 11 11 ALA CA C 13 54.960 0.000 . 1 . . . A 11 ALA CA . 19498 1 49 . 1 1 11 11 ALA CB C 13 17.998 0.000 . 1 . . . A 11 ALA CB . 19498 1 50 . 1 1 11 11 ALA N N 15 121.326 0.000 . 1 . . . A 11 ALA N . 19498 1 51 . 1 1 12 12 PHE H H 1 7.779 0.000 . 1 . . . A 12 PHE H . 19498 1 52 . 1 1 12 12 PHE HA H 1 4.411 0.000 . 1 . . . A 12 PHE HA . 19498 1 53 . 1 1 12 12 PHE HB2 H 1 3.107 0.000 . 1 . . . A 12 PHE HB2 . 19498 1 54 . 1 1 12 12 PHE HB3 H 1 3.107 0.000 . 1 . . . A 12 PHE HB3 . 19498 1 55 . 1 1 12 12 PHE HD1 H 1 7.017 0.000 . 3 . . . A 12 PHE HD1 . 19498 1 56 . 1 1 12 12 PHE HD2 H 1 7.017 0.000 . 3 . . . A 12 PHE HD2 . 19498 1 57 . 1 1 12 12 PHE HE1 H 1 6.932 0.000 . 3 . . . A 12 PHE HE1 . 19498 1 58 . 1 1 12 12 PHE HE2 H 1 6.932 0.000 . 3 . . . A 12 PHE HE2 . 19498 1 59 . 1 1 12 12 PHE CA C 13 61.007 0.000 . 1 . . . A 12 PHE CA . 19498 1 60 . 1 1 12 12 PHE CB C 13 39.499 0.000 . 1 . . . A 12 PHE CB . 19498 1 61 . 1 1 12 12 PHE CD1 C 13 130.571 0.000 . 3 . . . A 12 PHE CD1 . 19498 1 62 . 1 1 12 12 PHE CD2 C 13 130.571 0.000 . 3 . . . A 12 PHE CD2 . 19498 1 63 . 1 1 12 12 PHE CE1 C 13 130.522 0.000 . 3 . . . A 12 PHE CE1 . 19498 1 64 . 1 1 12 12 PHE CE2 C 13 130.522 0.000 . 3 . . . A 12 PHE CE2 . 19498 1 65 . 1 1 12 12 PHE N N 15 122.913 0.000 . 1 . . . A 12 PHE N . 19498 1 66 . 1 1 13 13 LYS H H 1 8.614 0.000 . 1 . . . A 13 LYS H . 19498 1 67 . 1 1 13 13 LYS HA H 1 3.861 0.000 . 1 . . . A 13 LYS HA . 19498 1 68 . 1 1 13 13 LYS HB2 H 1 1.885 0.000 . 1 . . . A 13 LYS HB2 . 19498 1 69 . 1 1 13 13 LYS HB3 H 1 1.885 0.000 . 1 . . . A 13 LYS HB3 . 19498 1 70 . 1 1 13 13 LYS HG2 H 1 1.416 0.000 . 1 . . . A 13 LYS HG2 . 19498 1 71 . 1 1 13 13 LYS HG3 H 1 1.416 0.000 . 1 . . . A 13 LYS HG3 . 19498 1 72 . 1 1 13 13 LYS HD2 H 1 1.697 0.000 . 1 . . . A 13 LYS HD2 . 19498 1 73 . 1 1 13 13 LYS HD3 H 1 1.697 0.000 . 1 . . . A 13 LYS HD3 . 19498 1 74 . 1 1 13 13 LYS HE2 H 1 2.929 0.000 . 1 . . . A 13 LYS HE2 . 19498 1 75 . 1 1 13 13 LYS HE3 H 1 2.929 0.000 . 1 . . . A 13 LYS HE3 . 19498 1 76 . 1 1 13 13 LYS CA C 13 59.099 0.000 . 1 . . . A 13 LYS CA . 19498 1 77 . 1 1 13 13 LYS CB C 13 31.867 0.000 . 1 . . . A 13 LYS CB . 19498 1 78 . 1 1 13 13 LYS CG C 13 25.477 0.000 . 1 . . . A 13 LYS CG . 19498 1 79 . 1 1 13 13 LYS CD C 13 28.960 0.000 . 1 . . . A 13 LYS CD . 19498 1 80 . 1 1 13 13 LYS CE C 13 42.000 0.000 . 1 . . . A 13 LYS CE . 19498 1 81 . 1 1 13 13 LYS N N 15 120.689 0.000 . 1 . . . A 13 LYS N . 19498 1 82 . 1 1 14 14 ALA H H 1 8.178 0.000 . 1 . . . A 14 ALA H . 19498 1 83 . 1 1 14 14 ALA HA H 1 3.182 0.000 . 1 . . . A 14 ALA HA . 19498 1 84 . 1 1 14 14 ALA HB1 H 1 1.501 0.000 . 1 . . . A 14 ALA HB1 . 19498 1 85 . 1 1 14 14 ALA HB2 H 1 1.501 0.000 . 1 . . . A 14 ALA HB2 . 19498 1 86 . 1 1 14 14 ALA HB3 H 1 1.501 0.000 . 1 . . . A 14 ALA HB3 . 19498 1 87 . 1 1 14 14 ALA CA C 13 55.108 0.000 . 1 . . . A 14 ALA CA . 19498 1 88 . 1 1 14 14 ALA CB C 13 18.120 0.000 . 1 . . . A 14 ALA CB . 19498 1 89 . 1 1 14 14 ALA N N 15 122.076 0.000 . 1 . . . A 14 ALA N . 19498 1 90 . 1 1 15 15 ALA H H 1 7.793 0.000 . 1 . . . A 15 ALA H . 19498 1 91 . 1 1 15 15 ALA HA H 1 4.040 0.000 . 1 . . . A 15 ALA HA . 19498 1 92 . 1 1 15 15 ALA HB1 H 1 1.440 0.000 . 1 . . . A 15 ALA HB1 . 19498 1 93 . 1 1 15 15 ALA HB2 H 1 1.440 0.000 . 1 . . . A 15 ALA HB2 . 19498 1 94 . 1 1 15 15 ALA HB3 H 1 1.440 0.000 . 1 . . . A 15 ALA HB3 . 19498 1 95 . 1 1 15 15 ALA CA C 13 55.158 0.000 . 1 . . . A 15 ALA CA . 19498 1 96 . 1 1 15 15 ALA CB C 13 19.042 0.000 . 1 . . . A 15 ALA CB . 19498 1 97 . 1 1 15 15 ALA N N 15 121.714 0.000 . 1 . . . A 15 ALA N . 19498 1 98 . 1 1 16 16 THR H H 1 8.133 0.000 . 1 . . . A 16 THR H . 19498 1 99 . 1 1 16 16 THR HA H 1 3.705 0.000 . 1 . . . A 16 THR HA . 19498 1 100 . 1 1 16 16 THR HB H 1 4.111 0.000 . 1 . . . A 16 THR HB . 19498 1 101 . 1 1 16 16 THR HG21 H 1 0.904 0.000 . 1 . . . A 16 THR HG21 . 19498 1 102 . 1 1 16 16 THR HG22 H 1 0.904 0.000 . 1 . . . A 16 THR HG22 . 19498 1 103 . 1 1 16 16 THR HG23 H 1 0.904 0.000 . 1 . . . A 16 THR HG23 . 19498 1 104 . 1 1 16 16 THR CA C 13 66.762 0.000 . 1 . . . A 16 THR CA . 19498 1 105 . 1 1 16 16 THR CB C 13 68.213 0.000 . 1 . . . A 16 THR CB . 19498 1 106 . 1 1 16 16 THR CG2 C 13 22.188 0.000 . 1 . . . A 16 THR CG2 . 19498 1 107 . 1 1 16 16 THR N N 15 111.959 0.000 . 1 . . . A 16 THR N . 19498 1 108 . 1 1 17 17 ASN H H 1 8.152 0.000 . 1 . . . A 17 ASN H . 19498 1 109 . 1 1 17 17 ASN HA H 1 4.520 0.000 . 1 . . . A 17 ASN HA . 19498 1 110 . 1 1 17 17 ASN HB2 H 1 2.833 0.000 . 1 . . . A 17 ASN HB2 . 19498 1 111 . 1 1 17 17 ASN HB3 H 1 2.833 0.000 . 1 . . . A 17 ASN HB3 . 19498 1 112 . 1 1 17 17 ASN CA C 13 56.191 0.000 . 1 . . . A 17 ASN CA . 19498 1 113 . 1 1 17 17 ASN CB C 13 38.365 0.000 . 1 . . . A 17 ASN CB . 19498 1 114 . 1 1 17 17 ASN N N 15 121.090 0.000 . 1 . . . A 17 ASN N . 19498 1 115 . 1 1 18 18 LYS H H 1 7.568 0.000 . 1 . . . A 18 LYS H . 19498 1 116 . 1 1 18 18 LYS HA H 1 3.914 0.000 . 1 . . . A 18 LYS HA . 19498 1 117 . 1 1 18 18 LYS HB2 H 1 1.416 0.000 . 1 . . . A 18 LYS HB2 . 19498 1 118 . 1 1 18 18 LYS HB3 H 1 1.416 0.000 . 1 . . . A 18 LYS HB3 . 19498 1 119 . 1 1 18 18 LYS HG2 H 1 1.177 0.000 . 1 . . . A 18 LYS HG2 . 19498 1 120 . 1 1 18 18 LYS HG3 H 1 1.177 0.000 . 1 . . . A 18 LYS HG3 . 19498 1 121 . 1 1 18 18 LYS HD2 H 1 1.416 0.000 . 1 . . . A 18 LYS HD2 . 19498 1 122 . 1 1 18 18 LYS HD3 H 1 1.416 0.000 . 1 . . . A 18 LYS HD3 . 19498 1 123 . 1 1 18 18 LYS HE3 H 1 2.293 0.000 . 1 . . . A 18 LYS HE3 . 19498 1 124 . 1 1 18 18 LYS CA C 13 59.865 0.000 . 1 . . . A 18 LYS CA . 19498 1 125 . 1 1 18 18 LYS CB C 13 30.999 0.000 . 1 . . . A 18 LYS CB . 19498 1 126 . 1 1 18 18 LYS N N 15 119.978 0.000 . 1 . . . A 18 LYS N . 19498 1 127 . 1 1 19 19 LEU H H 1 7.001 0.000 . 1 . . . A 19 LEU H . 19498 1 128 . 1 1 19 19 LEU HA H 1 4.135 0.000 . 1 . . . A 19 LEU HA . 19498 1 129 . 1 1 19 19 LEU HB2 H 1 1.846 0.000 . 1 . . . A 19 LEU HB2 . 19498 1 130 . 1 1 19 19 LEU HB3 H 1 1.846 0.000 . 1 . . . A 19 LEU HB3 . 19498 1 131 . 1 1 19 19 LEU HD11 H 1 0.833 0.000 . 2 . . . A 19 LEU HD11 . 19498 1 132 . 1 1 19 19 LEU HD12 H 1 1.475 0.000 . 2 . . . A 19 LEU HD12 . 19498 1 133 . 1 1 19 19 LEU HD13 H 1 1.475 0.000 . 2 . . . A 19 LEU HD13 . 19498 1 134 . 1 1 19 19 LEU HD21 H 1 0.839 0.000 . 2 . . . A 19 LEU HD21 . 19498 1 135 . 1 1 19 19 LEU HD22 H 1 0.848 0.000 . 2 . . . A 19 LEU HD22 . 19498 1 136 . 1 1 19 19 LEU HD23 H 1 0.848 0.000 . 2 . . . A 19 LEU HD23 . 19498 1 137 . 1 1 19 19 LEU HG H 1 0.848 0.000 . 1 . . . A 19 LEU HG . 19498 1 138 . 1 1 19 19 LEU CA C 13 58.001 0.000 . 1 . . . A 19 LEU CA . 19498 1 139 . 1 1 19 19 LEU CB C 13 40.823 0.000 . 1 . . . A 19 LEU CB . 19498 1 140 . 1 1 19 19 LEU CG C 13 27.499 0.000 . 1 . . . A 19 LEU CG . 19498 1 141 . 1 1 19 19 LEU CD1 C 13 24.370 0.000 . 1 . . . A 19 LEU CD1 . 19498 1 142 . 1 1 19 19 LEU CD2 C 13 27.620 0.000 . 1 . . . A 19 LEU CD2 . 19498 1 143 . 1 1 19 19 LEU N N 15 117.558 0.000 . 1 . . . A 19 LEU N . 19498 1 144 . 1 1 20 20 PHE H H 1 8.193 0.000 . 1 . . . A 20 PHE H . 19498 1 145 . 1 1 20 20 PHE HA H 1 4.873 0.000 . 1 . . . A 20 PHE HA . 19498 1 146 . 1 1 20 20 PHE HB2 H 1 3.424 0.000 . 1 . . . A 20 PHE HB2 . 19498 1 147 . 1 1 20 20 PHE HB3 H 1 3.424 0.000 . 1 . . . A 20 PHE HB3 . 19498 1 148 . 1 1 20 20 PHE HD1 H 1 7.418 0.000 . 3 . . . A 20 PHE HD1 . 19498 1 149 . 1 1 20 20 PHE HD2 H 1 7.418 0.000 . 3 . . . A 20 PHE HD2 . 19498 1 150 . 1 1 20 20 PHE HE1 H 1 7.402 0.000 . 3 . . . A 20 PHE HE1 . 19498 1 151 . 1 1 20 20 PHE HE2 H 1 7.402 0.000 . 3 . . . A 20 PHE HE2 . 19498 1 152 . 1 1 20 20 PHE CA C 13 60.375 0.000 . 1 . . . A 20 PHE CA . 19498 1 153 . 1 1 20 20 PHE CB C 13 38.480 0.000 . 1 . . . A 20 PHE CB . 19498 1 154 . 1 1 20 20 PHE CD1 C 13 131.103 0.000 . 3 . . . A 20 PHE CD1 . 19498 1 155 . 1 1 20 20 PHE CD2 C 13 131.103 0.000 . 3 . . . A 20 PHE CD2 . 19498 1 156 . 1 1 20 20 PHE CE1 C 13 129.087 0.000 . 3 . . . A 20 PHE CE1 . 19498 1 157 . 1 1 20 20 PHE CE2 C 13 129.087 0.000 . 3 . . . A 20 PHE CE2 . 19498 1 158 . 1 1 20 20 PHE N N 15 121.123 0.000 . 1 . . . A 20 PHE N . 19498 1 159 . 1 1 21 21 GLN H H 1 7.918 0.000 . 1 . . . A 21 GLN H . 19498 1 160 . 1 1 21 21 GLN HA H 1 4.208 0.000 . 1 . . . A 21 GLN HA . 19498 1 161 . 1 1 21 21 GLN HB2 H 1 2.381 0.000 . 2 . . . A 21 GLN HB2 . 19498 1 162 . 1 1 21 21 GLN HB3 H 1 2.472 0.000 . 2 . . . A 21 GLN HB3 . 19498 1 163 . 1 1 21 21 GLN HG2 H 1 2.751 0.000 . 1 . . . A 21 GLN HG2 . 19498 1 164 . 1 1 21 21 GLN HG3 H 1 2.751 0.000 . 1 . . . A 21 GLN HG3 . 19498 1 165 . 1 1 21 21 GLN CA C 13 58.055 0.000 . 1 . . . A 21 GLN CA . 19498 1 166 . 1 1 21 21 GLN CB C 13 28.284 0.000 . 1 . . . A 21 GLN CB . 19498 1 167 . 1 1 21 21 GLN CG C 13 34.251 0.000 . 1 . . . A 21 GLN CG . 19498 1 168 . 1 1 21 21 GLN N N 15 118.591 0.000 . 1 . . . A 21 GLN N . 19498 1 169 . 1 1 22 22 LEU H H 1 7.561 0.000 . 1 . . . A 22 LEU H . 19498 1 170 . 1 1 22 22 LEU HA H 1 4.534 0.000 . 1 . . . A 22 LEU HA . 19498 1 171 . 1 1 22 22 LEU HB2 H 1 1.781 0.000 . 2 . . . A 22 LEU HB2 . 19498 1 172 . 1 1 22 22 LEU HB3 H 1 2.051 0.000 . 2 . . . A 22 LEU HB3 . 19498 1 173 . 1 1 22 22 LEU HG H 1 2.034 0.000 . 1 . . . A 22 LEU HG . 19498 1 174 . 1 1 22 22 LEU HD11 H 1 0.757 0.000 . 2 . . . A 22 LEU HD11 . 19498 1 175 . 1 1 22 22 LEU HD12 H 1 0.757 0.000 . 2 . . . A 22 LEU HD12 . 19498 1 176 . 1 1 22 22 LEU HD13 H 1 0.757 0.000 . 2 . . . A 22 LEU HD13 . 19498 1 177 . 1 1 22 22 LEU HD21 H 1 0.901 0.000 . 2 . . . A 22 LEU HD21 . 19498 1 178 . 1 1 22 22 LEU HD22 H 1 0.901 0.000 . 2 . . . A 22 LEU HD22 . 19498 1 179 . 1 1 22 22 LEU HD23 H 1 0.901 0.000 . 2 . . . A 22 LEU HD23 . 19498 1 180 . 1 1 22 22 LEU CA C 13 54.033 0.000 . 1 . . . A 22 LEU CA . 19498 1 181 . 1 1 22 22 LEU CB C 13 41.469 0.000 . 1 . . . A 22 LEU CB . 19498 1 182 . 1 1 22 22 LEU CG C 13 26.353 0.000 . 1 . . . A 22 LEU CG . 19498 1 183 . 1 1 22 22 LEU CD1 C 13 21.992 0.000 . 2 . . . A 22 LEU CD1 . 19498 1 184 . 1 1 22 22 LEU CD2 C 13 25.943 0.000 . 2 . . . A 22 LEU CD2 . 19498 1 185 . 1 1 22 22 LEU N N 15 118.477 0.000 . 1 . . . A 22 LEU N . 19498 1 186 . 1 1 23 23 ASP H H 1 8.163 0.000 . 1 . . . A 23 ASP H . 19498 1 187 . 1 1 23 23 ASP HA H 1 4.280 0.000 . 1 . . . A 23 ASP HA . 19498 1 188 . 1 1 23 23 ASP HB2 H 1 2.942 0.000 . 2 . . . A 23 ASP HB2 . 19498 1 189 . 1 1 23 23 ASP HB3 H 1 3.072 0.000 . 2 . . . A 23 ASP HB3 . 19498 1 190 . 1 1 23 23 ASP CA C 13 55.494 0.000 . 1 . . . A 23 ASP CA . 19498 1 191 . 1 1 23 23 ASP CB C 13 39.317 0.000 . 1 . . . A 23 ASP CB . 19498 1 192 . 1 1 23 23 ASP N N 15 115.410 0.000 . 1 . . . A 23 ASP N . 19498 1 193 . 1 1 24 24 LEU H H 1 7.136 0.000 . 1 . . . A 24 LEU H . 19498 1 194 . 1 1 24 24 LEU HA H 1 4.790 0.000 . 1 . . . A 24 LEU HA . 19498 1 195 . 1 1 24 24 LEU HB2 H 1 1.107 0.000 . 2 . . . A 24 LEU HB2 . 19498 1 196 . 1 1 24 24 LEU HB3 H 1 1.480 0.000 . 2 . . . A 24 LEU HB3 . 19498 1 197 . 1 1 24 24 LEU HG H 1 1.502 0.000 . 1 . . . A 24 LEU HG . 19498 1 198 . 1 1 24 24 LEU HD11 H 1 0.602 0.000 . 2 . . . A 24 LEU HD11 . 19498 1 199 . 1 1 24 24 LEU HD12 H 1 0.602 0.000 . 2 . . . A 24 LEU HD12 . 19498 1 200 . 1 1 24 24 LEU HD13 H 1 0.602 0.000 . 2 . . . A 24 LEU HD13 . 19498 1 201 . 1 1 24 24 LEU HD21 H 1 1.085 0.000 . 2 . . . A 24 LEU HD21 . 19498 1 202 . 1 1 24 24 LEU HD22 H 1 1.085 0.000 . 2 . . . A 24 LEU HD22 . 19498 1 203 . 1 1 24 24 LEU HD23 H 1 1.085 0.000 . 2 . . . A 24 LEU HD23 . 19498 1 204 . 1 1 24 24 LEU CA C 13 53.030 0.000 . 1 . . . A 24 LEU CA . 19498 1 205 . 1 1 24 24 LEU CB C 13 43.867 0.000 . 1 . . . A 24 LEU CB . 19498 1 206 . 1 1 24 24 LEU CG C 13 27.434 0.000 . 1 . . . A 24 LEU CG . 19498 1 207 . 1 1 24 24 LEU CD1 C 13 27.442 0.000 . 2 . . . A 24 LEU CD1 . 19498 1 208 . 1 1 24 24 LEU CD2 C 13 22.503 0.000 . 2 . . . A 24 LEU CD2 . 19498 1 209 . 1 1 24 24 LEU N N 15 116.367 0.000 . 1 . . . A 24 LEU N . 19498 1 210 . 1 1 25 25 ALA H H 1 8.931 0.000 . 1 . . . A 25 ALA H . 19498 1 211 . 1 1 25 25 ALA HA H 1 4.480 0.000 . 1 . . . A 25 ALA HA . 19498 1 212 . 1 1 25 25 ALA HB1 H 1 1.298 0.000 . 1 . . . A 25 ALA HB1 . 19498 1 213 . 1 1 25 25 ALA HB2 H 1 1.298 0.000 . 1 . . . A 25 ALA HB2 . 19498 1 214 . 1 1 25 25 ALA HB3 H 1 1.298 0.000 . 1 . . . A 25 ALA HB3 . 19498 1 215 . 1 1 25 25 ALA CA C 13 50.890 0.000 . 1 . . . A 25 ALA CA . 19498 1 216 . 1 1 25 25 ALA CB C 13 21.655 0.000 . 1 . . . A 25 ALA CB . 19498 1 217 . 1 1 25 25 ALA N N 15 123.243 0.000 . 1 . . . A 25 ALA N . 19498 1 218 . 1 1 26 26 VAL H H 1 7.575 0.000 . 1 . . . A 26 VAL H . 19498 1 219 . 1 1 26 26 VAL HA H 1 4.889 0.000 . 1 . . . A 26 VAL HA . 19498 1 220 . 1 1 26 26 VAL HB H 1 2.053 0.000 . 1 . . . A 26 VAL HB . 19498 1 221 . 1 1 26 26 VAL HG11 H 1 0.926 0.000 . 2 . . . A 26 VAL HG11 . 19498 1 222 . 1 1 26 26 VAL HG12 H 1 0.926 0.000 . 2 . . . A 26 VAL HG12 . 19498 1 223 . 1 1 26 26 VAL HG13 H 1 0.926 0.000 . 2 . . . A 26 VAL HG13 . 19498 1 224 . 1 1 26 26 VAL HG21 H 1 0.988 0.000 . 2 . . . A 26 VAL HG21 . 19498 1 225 . 1 1 26 26 VAL HG22 H 1 0.988 0.000 . 2 . . . A 26 VAL HG22 . 19498 1 226 . 1 1 26 26 VAL HG23 H 1 0.988 0.000 . 2 . . . A 26 VAL HG23 . 19498 1 227 . 1 1 26 26 VAL CA C 13 61.278 0.000 . 1 . . . A 26 VAL CA . 19498 1 228 . 1 1 26 26 VAL CB C 13 33.310 0.000 . 1 . . . A 26 VAL CB . 19498 1 229 . 1 1 26 26 VAL CG1 C 13 22.777 0.000 . 2 . . . A 26 VAL CG1 . 19498 1 230 . 1 1 26 26 VAL CG2 C 13 21.810 0.000 . 2 . . . A 26 VAL CG2 . 19498 1 231 . 1 1 26 26 VAL N N 15 119.587 0.000 . 1 . . . A 26 VAL N . 19498 1 232 . 1 1 27 27 ILE H H 1 9.437 0.000 . 1 . . . A 27 ILE H . 19498 1 233 . 1 1 27 27 ILE HA H 1 4.489 0.000 . 1 . . . A 27 ILE HA . 19498 1 234 . 1 1 27 27 ILE HB H 1 1.795 0.000 . 1 . . . A 27 ILE HB . 19498 1 235 . 1 1 27 27 ILE HG12 H 1 1.363 0.000 . 2 . . . A 27 ILE HG12 . 19498 1 236 . 1 1 27 27 ILE HG13 H 1 1.264 0.000 . 2 . . . A 27 ILE HG13 . 19498 1 237 . 1 1 27 27 ILE HG21 H 1 0.946 0.000 . 1 . . . A 27 ILE HG21 . 19498 1 238 . 1 1 27 27 ILE HG22 H 1 0.946 0.000 . 1 . . . A 27 ILE HG22 . 19498 1 239 . 1 1 27 27 ILE HG23 H 1 0.946 0.000 . 1 . . . A 27 ILE HG23 . 19498 1 240 . 1 1 27 27 ILE HD11 H 1 0.747 0.000 . 1 . . . A 27 ILE HD11 . 19498 1 241 . 1 1 27 27 ILE HD12 H 1 0.747 0.000 . 1 . . . A 27 ILE HD12 . 19498 1 242 . 1 1 27 27 ILE HD13 H 1 0.747 0.000 . 1 . . . A 27 ILE HD13 . 19498 1 243 . 1 1 27 27 ILE CA C 13 60.177 0.000 . 1 . . . A 27 ILE CA . 19498 1 244 . 1 1 27 27 ILE CB C 13 40.019 0.000 . 1 . . . A 27 ILE CB . 19498 1 245 . 1 1 27 27 ILE CG1 C 13 28.203 0.000 . 1 . . . A 27 ILE CG1 . 19498 1 246 . 1 1 27 27 ILE CG2 C 13 18.620 0.000 . 1 . . . A 27 ILE CG2 . 19498 1 247 . 1 1 27 27 ILE CD1 C 13 13.081 0.000 . 1 . . . A 27 ILE CD1 . 19498 1 248 . 1 1 27 27 ILE N N 15 130.377 0.000 . 1 . . . A 27 ILE N . 19498 1 249 . 1 1 28 28 TYR H H 1 8.531 0.000 . 1 . . . A 28 TYR H . 19498 1 250 . 1 1 28 28 TYR HA H 1 5.709 0.000 . 1 . . . A 28 TYR HA . 19498 1 251 . 1 1 28 28 TYR HB2 H 1 3.008 0.000 . 1 . . . A 28 TYR HB2 . 19498 1 252 . 1 1 28 28 TYR HB3 H 1 3.008 0.000 . 1 . . . A 28 TYR HB3 . 19498 1 253 . 1 1 28 28 TYR HD1 H 1 6.987 0.000 . 3 . . . A 28 TYR HD1 . 19498 1 254 . 1 1 28 28 TYR HD2 H 1 6.987 0.000 . 3 . . . A 28 TYR HD2 . 19498 1 255 . 1 1 28 28 TYR HE1 H 1 6.556 0.000 . 3 . . . A 28 TYR HE1 . 19498 1 256 . 1 1 28 28 TYR HE2 H 1 6.556 0.000 . 3 . . . A 28 TYR HE2 . 19498 1 257 . 1 1 28 28 TYR CA C 13 55.486 0.000 . 1 . . . A 28 TYR CA . 19498 1 258 . 1 1 28 28 TYR CB C 13 42.019 0.000 . 1 . . . A 28 TYR CB . 19498 1 259 . 1 1 28 28 TYR CD1 C 13 132.863 0.000 . 3 . . . A 28 TYR CD1 . 19498 1 260 . 1 1 28 28 TYR CD2 C 13 132.863 0.000 . 3 . . . A 28 TYR CD2 . 19498 1 261 . 1 1 28 28 TYR CE1 C 13 116.816 0.000 . 3 . . . A 28 TYR CE1 . 19498 1 262 . 1 1 28 28 TYR CE2 C 13 116.816 0.000 . 3 . . . A 28 TYR CE2 . 19498 1 263 . 1 1 28 28 TYR N N 15 126.844 0.000 . 1 . . . A 28 TYR N . 19498 1 264 . 1 1 29 29 ASP H H 1 8.614 0.000 . 1 . . . A 29 ASP H . 19498 1 265 . 1 1 29 29 ASP HA H 1 4.966 0.000 . 1 . . . A 29 ASP HA . 19498 1 266 . 1 1 29 29 ASP HB2 H 1 2.673 0.000 . 2 . . . A 29 ASP HB2 . 19498 1 267 . 1 1 29 29 ASP HB3 H 1 2.790 0.000 . 2 . . . A 29 ASP HB3 . 19498 1 268 . 1 1 29 29 ASP CA C 13 53.659 0.000 . 1 . . . A 29 ASP CA . 19498 1 269 . 1 1 29 29 ASP CB C 13 44.660 0.000 . 1 . . . A 29 ASP CB . 19498 1 270 . 1 1 29 29 ASP N N 15 122.875 0.000 . 1 . . . A 29 ASP N . 19498 1 271 . 1 1 30 30 ASP H H 1 8.607 0.000 . 1 . . . A 30 ASP H . 19498 1 272 . 1 1 30 30 ASP HA H 1 5.447 0.000 . 1 . . . A 30 ASP HA . 19498 1 273 . 1 1 30 30 ASP HB2 H 1 2.775 0.000 . 2 . . . A 30 ASP HB2 . 19498 1 274 . 1 1 30 30 ASP HB3 H 1 2.628 0.000 . 2 . . . A 30 ASP HB3 . 19498 1 275 . 1 1 30 30 ASP CA C 13 53.501 0.000 . 1 . . . A 30 ASP CA . 19498 1 276 . 1 1 30 30 ASP CB C 13 43.921 0.000 . 1 . . . A 30 ASP CB . 19498 1 277 . 1 1 30 30 ASP N N 15 119.325 0.000 . 1 . . . A 30 ASP N . 19498 1 278 . 1 1 31 31 TRP H H 1 8.673 0.000 . 1 . . . A 31 TRP H . 19498 1 279 . 1 1 31 31 TRP HA H 1 4.615 0.000 . 1 . . . A 31 TRP HA . 19498 1 280 . 1 1 31 31 TRP HB2 H 1 3.130 0.000 . 1 . . . A 31 TRP HB2 . 19498 1 281 . 1 1 31 31 TRP HB3 H 1 3.130 0.000 . 1 . . . A 31 TRP HB3 . 19498 1 282 . 1 1 31 31 TRP HD1 H 1 6.932 0.000 . 1 . . . A 31 TRP HD1 . 19498 1 283 . 1 1 31 31 TRP HE1 H 1 10.243 0.000 . 1 . . . A 31 TRP HE1 . 19498 1 284 . 1 1 31 31 TRP HE3 H 1 7.176 0.000 . 1 . . . A 31 TRP HE3 . 19498 1 285 . 1 1 31 31 TRP HZ2 H 1 7.386 0.000 . 1 . . . A 31 TRP HZ2 . 19498 1 286 . 1 1 31 31 TRP HZ3 H 1 6.750 0.000 . 1 . . . A 31 TRP HZ3 . 19498 1 287 . 1 1 31 31 TRP HH2 H 1 6.940 0.000 . 1 . . . A 31 TRP HH2 . 19498 1 288 . 1 1 31 31 TRP CA C 13 58.000 0.000 . 1 . . . A 31 TRP CA . 19498 1 289 . 1 1 31 31 TRP CB C 13 31.500 0.000 . 1 . . . A 31 TRP CB . 19498 1 290 . 1 1 31 31 TRP CD1 C 13 126.474 0.000 . 1 . . . A 31 TRP CD1 . 19498 1 291 . 1 1 31 31 TRP CE3 C 13 120.838 0.000 . 1 . . . A 31 TRP CE3 . 19498 1 292 . 1 1 31 31 TRP CZ2 C 13 113.860 0.000 . 1 . . . A 31 TRP CZ2 . 19498 1 293 . 1 1 31 31 TRP CZ3 C 13 120.822 0.000 . 1 . . . A 31 TRP CZ3 . 19498 1 294 . 1 1 31 31 TRP CH2 C 13 123.344 0.000 . 1 . . . A 31 TRP CH2 . 19498 1 295 . 1 1 31 31 TRP N N 15 120.552 0.000 . 1 . . . A 31 TRP N . 19498 1 296 . 1 1 31 31 TRP NE1 N 15 130.780 0.000 . 1 . . . A 31 TRP NE1 . 19498 1 297 . 1 1 32 32 TYR CA C 13 52.400 0.000 . 1 . . . A 32 TYR CA . 19498 1 298 . 1 1 32 32 TYR CB C 13 42.350 0.000 . 1 . . . A 32 TYR CB . 19498 1 299 . 1 1 33 33 ASP CA C 13 52.400 0.000 . 1 . . . A 33 ASP CA . 19498 1 300 . 1 1 33 33 ASP CB C 13 42.350 0.000 . 1 . . . A 33 ASP CB . 19498 1 301 . 1 1 34 34 ALA H H 1 8.424 0.000 . 1 . . . A 34 ALA H . 19498 1 302 . 1 1 34 34 ALA HA H 1 3.845 0.000 . 1 . . . A 34 ALA HA . 19498 1 303 . 1 1 34 34 ALA HB1 H 1 1.393 0.000 . 1 . . . A 34 ALA HB1 . 19498 1 304 . 1 1 34 34 ALA HB2 H 1 1.393 0.000 . 1 . . . A 34 ALA HB2 . 19498 1 305 . 1 1 34 34 ALA HB3 H 1 1.393 0.000 . 1 . . . A 34 ALA HB3 . 19498 1 306 . 1 1 34 34 ALA CA C 13 53.690 0.000 . 1 . . . A 34 ALA CA . 19498 1 307 . 1 1 34 34 ALA CB C 13 18.610 0.000 . 1 . . . A 34 ALA CB . 19498 1 308 . 1 1 34 34 ALA N N 15 126.709 0.000 . 1 . . . A 34 ALA N . 19498 1 309 . 1 1 35 35 TYR H H 1 8.334 0.000 . 1 . . . A 35 TYR H . 19498 1 310 . 1 1 35 35 TYR HA H 1 4.350 0.000 . 1 . . . A 35 TYR HA . 19498 1 311 . 1 1 35 35 TYR HB2 H 1 3.166 0.000 . 1 . . . A 35 TYR HB2 . 19498 1 312 . 1 1 35 35 TYR HB3 H 1 3.166 0.000 . 1 . . . A 35 TYR HB3 . 19498 1 313 . 1 1 35 35 TYR HD1 H 1 7.181 0.000 . 3 . . . A 35 TYR HD1 . 19498 1 314 . 1 1 35 35 TYR HD2 H 1 7.181 0.000 . 3 . . . A 35 TYR HD2 . 19498 1 315 . 1 1 35 35 TYR HE1 H 1 6.829 0.000 . 3 . . . A 35 TYR HE1 . 19498 1 316 . 1 1 35 35 TYR HE2 H 1 6.829 0.000 . 3 . . . A 35 TYR HE2 . 19498 1 317 . 1 1 35 35 TYR CA C 13 60.466 0.000 . 1 . . . A 35 TYR CA . 19498 1 318 . 1 1 35 35 TYR CB C 13 38.113 0.000 . 1 . . . A 35 TYR CB . 19498 1 319 . 1 1 35 35 TYR CD1 C 13 132.539 0.000 . 3 . . . A 35 TYR CD1 . 19498 1 320 . 1 1 35 35 TYR CD2 C 13 132.539 0.000 . 3 . . . A 35 TYR CD2 . 19498 1 321 . 1 1 35 35 TYR CE1 C 13 117.676 0.000 . 3 . . . A 35 TYR CE1 . 19498 1 322 . 1 1 35 35 TYR CE2 C 13 117.676 0.000 . 3 . . . A 35 TYR CE2 . 19498 1 323 . 1 1 35 35 TYR N N 15 117.123 0.000 . 1 . . . A 35 TYR N . 19498 1 324 . 1 1 36 36 THR H H 1 7.563 0.000 . 1 . . . A 36 THR H . 19498 1 325 . 1 1 36 36 THR HA H 1 4.018 0.000 . 1 . . . A 36 THR HA . 19498 1 326 . 1 1 36 36 THR HB H 1 4.036 0.000 . 1 . . . A 36 THR HB . 19498 1 327 . 1 1 36 36 THR HG21 H 1 1.111 0.000 . 1 . . . A 36 THR HG21 . 19498 1 328 . 1 1 36 36 THR HG22 H 1 1.111 0.000 . 1 . . . A 36 THR HG22 . 19498 1 329 . 1 1 36 36 THR HG23 H 1 1.111 0.000 . 1 . . . A 36 THR HG23 . 19498 1 330 . 1 1 36 36 THR CA C 13 61.809 0.000 . 1 . . . A 36 THR CA . 19498 1 331 . 1 1 36 36 THR CB C 13 69.926 0.000 . 1 . . . A 36 THR CB . 19498 1 332 . 1 1 36 36 THR CG2 C 13 22.108 0.000 . 1 . . . A 36 THR CG2 . 19498 1 333 . 1 1 36 36 THR N N 15 108.046 0.000 . 1 . . . A 36 THR N . 19498 1 334 . 1 1 37 37 ARG H H 1 7.952 0.000 . 1 . . . A 37 ARG H . 19498 1 335 . 1 1 37 37 ARG CA C 13 57.001 0.000 . 1 . . . A 37 ARG CA . 19498 1 336 . 1 1 37 37 ARG N N 15 118.456 0.000 . 1 . . . A 37 ARG N . 19498 1 337 . 1 1 40 40 CYS CA C 13 56.316 0.000 . 1 . . . A 40 CYS CA . 19498 1 338 . 1 1 40 40 CYS CB C 13 29.999 0.000 . 1 . . . A 40 CYS CB . 19498 1 339 . 1 1 41 41 ILE H H 1 8.459 0.000 . 1 . . . A 41 ILE H . 19498 1 340 . 1 1 41 41 ILE HA H 1 4.709 0.000 . 1 . . . A 41 ILE HA . 19498 1 341 . 1 1 41 41 ILE HB H 1 1.347 0.000 . 1 . . . A 41 ILE HB . 19498 1 342 . 1 1 41 41 ILE HG12 H 1 1.273 0.000 . 2 . . . A 41 ILE HG12 . 19498 1 343 . 1 1 41 41 ILE HG13 H 1 1.359 0.000 . 2 . . . A 41 ILE HG13 . 19498 1 344 . 1 1 41 41 ILE HG21 H 1 0.709 0.000 . 1 . . . A 41 ILE HG21 . 19498 1 345 . 1 1 41 41 ILE HG22 H 1 0.709 0.000 . 1 . . . A 41 ILE HG22 . 19498 1 346 . 1 1 41 41 ILE HG23 H 1 0.709 0.000 . 1 . . . A 41 ILE HG23 . 19498 1 347 . 1 1 41 41 ILE HD11 H 1 0.371 0.000 . 1 . . . A 41 ILE HD11 . 19498 1 348 . 1 1 41 41 ILE HD12 H 1 0.371 0.000 . 1 . . . A 41 ILE HD12 . 19498 1 349 . 1 1 41 41 ILE HD13 H 1 0.371 0.000 . 1 . . . A 41 ILE HD13 . 19498 1 350 . 1 1 41 41 ILE CA C 13 60.462 0.000 . 1 . . . A 41 ILE CA . 19498 1 351 . 1 1 41 41 ILE CB C 13 42.309 0.000 . 1 . . . A 41 ILE CB . 19498 1 352 . 1 1 41 41 ILE CG1 C 13 28.290 0.000 . 1 . . . A 41 ILE CG1 . 19498 1 353 . 1 1 41 41 ILE CG2 C 13 17.931 0.000 . 1 . . . A 41 ILE CG2 . 19498 1 354 . 1 1 41 41 ILE CD1 C 13 13.861 0.000 . 1 . . . A 41 ILE CD1 . 19498 1 355 . 1 1 41 41 ILE N N 15 121.419 0.000 . 1 . . . A 41 ILE N . 19498 1 356 . 1 1 42 42 ARG H H 1 9.004 0.000 . 1 . . . A 42 ARG H . 19498 1 357 . 1 1 42 42 ARG HB2 H 1 2.067 0.000 . 1 . . . A 42 ARG HB2 . 19498 1 358 . 1 1 42 42 ARG HB3 H 1 2.067 0.000 . 1 . . . A 42 ARG HB3 . 19498 1 359 . 1 1 42 42 ARG HG2 H 1 1.306 0.000 . 1 . . . A 42 ARG HG2 . 19498 1 360 . 1 1 42 42 ARG HG3 H 1 1.306 0.000 . 1 . . . A 42 ARG HG3 . 19498 1 361 . 1 1 42 42 ARG HD2 H 1 3.021 0.000 . 1 . . . A 42 ARG HD2 . 19498 1 362 . 1 1 42 42 ARG HD3 H 1 3.021 0.000 . 1 . . . A 42 ARG HD3 . 19498 1 363 . 1 1 42 42 ARG CA C 13 54.501 0.000 . 1 . . . A 42 ARG CA . 19498 1 364 . 1 1 42 42 ARG CB C 13 33.204 0.000 . 1 . . . A 42 ARG CB . 19498 1 365 . 1 1 42 42 ARG CG C 13 26.420 0.000 . 1 . . . A 42 ARG CG . 19498 1 366 . 1 1 42 42 ARG N N 15 127.916 0.000 . 1 . . . A 42 ARG N . 19498 1 367 . 1 1 43 43 LEU H H 1 8.757 0.000 . 1 . . . A 43 LEU H . 19498 1 368 . 1 1 43 43 LEU HA H 1 5.538 0.000 . 1 . . . A 43 LEU HA . 19498 1 369 . 1 1 43 43 LEU HB2 H 1 1.465 0.000 . 2 . . . A 43 LEU HB2 . 19498 1 370 . 1 1 43 43 LEU HB3 H 1 1.829 0.000 . 2 . . . A 43 LEU HB3 . 19498 1 371 . 1 1 43 43 LEU HG H 1 1.771 0.000 . 1 . . . A 43 LEU HG . 19498 1 372 . 1 1 43 43 LEU HD11 H 1 1.134 0.000 . 2 . . . A 43 LEU HD11 . 19498 1 373 . 1 1 43 43 LEU HD12 H 1 1.134 0.000 . 2 . . . A 43 LEU HD12 . 19498 1 374 . 1 1 43 43 LEU HD13 H 1 1.134 0.000 . 2 . . . A 43 LEU HD13 . 19498 1 375 . 1 1 43 43 LEU HD21 H 1 1.146 0.000 . 2 . . . A 43 LEU HD21 . 19498 1 376 . 1 1 43 43 LEU HD22 H 1 1.146 0.000 . 2 . . . A 43 LEU HD22 . 19498 1 377 . 1 1 43 43 LEU HD23 H 1 1.146 0.000 . 2 . . . A 43 LEU HD23 . 19498 1 378 . 1 1 43 43 LEU CA C 13 53.266 0.000 . 1 . . . A 43 LEU CA . 19498 1 379 . 1 1 43 43 LEU CB C 13 46.163 0.000 . 1 . . . A 43 LEU CB . 19498 1 380 . 1 1 43 43 LEU CG C 13 27.175 0.000 . 1 . . . A 43 LEU CG . 19498 1 381 . 1 1 43 43 LEU CD1 C 13 27.312 0.000 . 2 . . . A 43 LEU CD1 . 19498 1 382 . 1 1 43 43 LEU CD2 C 13 25.572 0.000 . 2 . . . A 43 LEU CD2 . 19498 1 383 . 1 1 43 43 LEU N N 15 124.715 0.000 . 1 . . . A 43 LEU N . 19498 1 384 . 1 1 44 44 ARG H H 1 9.366 0.000 . 1 . . . A 44 ARG H . 19498 1 385 . 1 1 44 44 ARG HA H 1 5.004 0.000 . 1 . . . A 44 ARG HA . 19498 1 386 . 1 1 44 44 ARG HB2 H 1 1.809 0.000 . 1 . . . A 44 ARG HB2 . 19498 1 387 . 1 1 44 44 ARG HB3 H 1 1.809 0.000 . 1 . . . A 44 ARG HB3 . 19498 1 388 . 1 1 44 44 ARG HG2 H 1 1.509 0.000 . 1 . . . A 44 ARG HG2 . 19498 1 389 . 1 1 44 44 ARG HG3 H 1 1.509 0.000 . 1 . . . A 44 ARG HG3 . 19498 1 390 . 1 1 44 44 ARG HD2 H 1 3.012 0.000 . 2 . . . A 44 ARG HD2 . 19498 1 391 . 1 1 44 44 ARG HD3 H 1 3.263 0.000 . 2 . . . A 44 ARG HD3 . 19498 1 392 . 1 1 44 44 ARG CA C 13 55.508 0.000 . 1 . . . A 44 ARG CA . 19498 1 393 . 1 1 44 44 ARG CB C 13 34.543 0.000 . 1 . . . A 44 ARG CB . 19498 1 394 . 1 1 44 44 ARG CG C 13 28.069 0.000 . 1 . . . A 44 ARG CG . 19498 1 395 . 1 1 44 44 ARG CD C 13 44.000 0.000 . 1 . . . A 44 ARG CD . 19498 1 396 . 1 1 44 44 ARG N N 15 123.499 0.000 . 1 . . . A 44 ARG N . 19498 1 397 . 1 1 45 45 ILE H H 1 8.938 0.000 . 1 . . . A 45 ILE H . 19498 1 398 . 1 1 45 45 ILE HA H 1 5.260 0.000 . 1 . . . A 45 ILE HA . 19498 1 399 . 1 1 45 45 ILE HB H 1 1.622 0.000 . 1 . . . A 45 ILE HB . 19498 1 400 . 1 1 45 45 ILE HG12 H 1 1.019 0.000 . 2 . . . A 45 ILE HG12 . 19498 1 401 . 1 1 45 45 ILE HG13 H 1 1.768 0.000 . 2 . . . A 45 ILE HG13 . 19498 1 402 . 1 1 45 45 ILE HG21 H 1 0.766 0.000 . 1 . . . A 45 ILE HG21 . 19498 1 403 . 1 1 45 45 ILE HG22 H 1 0.766 0.000 . 1 . . . A 45 ILE HG22 . 19498 1 404 . 1 1 45 45 ILE HG23 H 1 0.766 0.000 . 1 . . . A 45 ILE HG23 . 19498 1 405 . 1 1 45 45 ILE HD11 H 1 0.558 0.000 . 1 . . . A 45 ILE HD11 . 19498 1 406 . 1 1 45 45 ILE HD12 H 1 0.558 0.000 . 1 . . . A 45 ILE HD12 . 19498 1 407 . 1 1 45 45 ILE HD13 H 1 0.558 0.000 . 1 . . . A 45 ILE HD13 . 19498 1 408 . 1 1 45 45 ILE CA C 13 59.933 0.000 . 1 . . . A 45 ILE CA . 19498 1 409 . 1 1 45 45 ILE CB C 13 39.751 0.000 . 1 . . . A 45 ILE CB . 19498 1 410 . 1 1 45 45 ILE CG1 C 13 27.655 0.000 . 1 . . . A 45 ILE CG1 . 19498 1 411 . 1 1 45 45 ILE CG2 C 13 18.671 0.000 . 1 . . . A 45 ILE CG2 . 19498 1 412 . 1 1 45 45 ILE CD1 C 13 15.236 0.000 . 1 . . . A 45 ILE CD1 . 19498 1 413 . 1 1 45 45 ILE N N 15 122.919 0.000 . 1 . . . A 45 ILE N . 19498 1 414 . 1 1 46 46 GLU H H 1 9.097 0.000 . 1 . . . A 46 GLU H . 19498 1 415 . 1 1 46 46 GLU HA H 1 5.465 0.000 . 1 . . . A 46 GLU HA . 19498 1 416 . 1 1 46 46 GLU HB2 H 1 2.057 0.000 . 1 . . . A 46 GLU HB2 . 19498 1 417 . 1 1 46 46 GLU HB3 H 1 2.057 0.000 . 1 . . . A 46 GLU HB3 . 19498 1 418 . 1 1 46 46 GLU CA C 13 53.707 0.000 . 1 . . . A 46 GLU CA . 19498 1 419 . 1 1 46 46 GLU CB C 13 35.276 0.000 . 1 . . . A 46 GLU CB . 19498 1 420 . 1 1 46 46 GLU N N 15 126.745 0.000 . 1 . . . A 46 GLU N . 19498 1 421 . 1 1 47 47 ASP H H 1 8.209 0.000 . 1 . . . A 47 ASP H . 19498 1 422 . 1 1 47 47 ASP HA H 1 4.976 0.000 . 1 . . . A 47 ASP HA . 19498 1 423 . 1 1 47 47 ASP HB2 H 1 2.596 0.000 . 2 . . . A 47 ASP HB2 . 19498 1 424 . 1 1 47 47 ASP HB3 H 1 3.697 0.000 . 2 . . . A 47 ASP HB3 . 19498 1 425 . 1 1 47 47 ASP CA C 13 52.411 0.000 . 1 . . . A 47 ASP CA . 19498 1 426 . 1 1 47 47 ASP CB C 13 41.609 0.000 . 1 . . . A 47 ASP CB . 19498 1 427 . 1 1 47 47 ASP N N 15 117.988 0.000 . 1 . . . A 47 ASP N . 19498 1 428 . 1 1 48 48 ARG H H 1 8.872 0.000 . 1 . . . A 48 ARG H . 19498 1 429 . 1 1 48 48 ARG HA H 1 4.129 0.000 . 1 . . . A 48 ARG HA . 19498 1 430 . 1 1 48 48 ARG HB2 H 1 1.979 0.000 . 1 . . . A 48 ARG HB2 . 19498 1 431 . 1 1 48 48 ARG HB3 H 1 1.979 0.000 . 1 . . . A 48 ARG HB3 . 19498 1 432 . 1 1 48 48 ARG HG2 H 1 1.783 0.000 . 1 . . . A 48 ARG HG2 . 19498 1 433 . 1 1 48 48 ARG HG3 H 1 1.783 0.000 . 1 . . . A 48 ARG HG3 . 19498 1 434 . 1 1 48 48 ARG HD2 H 1 3.200 0.000 . 1 . . . A 48 ARG HD2 . 19498 1 435 . 1 1 48 48 ARG HD3 H 1 3.200 0.000 . 1 . . . A 48 ARG HD3 . 19498 1 436 . 1 1 48 48 ARG CA C 13 58.323 0.000 . 1 . . . A 48 ARG CA . 19498 1 437 . 1 1 48 48 ARG CB C 13 29.511 0.000 . 1 . . . A 48 ARG CB . 19498 1 438 . 1 1 48 48 ARG CG C 13 27.076 0.000 . 1 . . . A 48 ARG CG . 19498 1 439 . 1 1 48 48 ARG CD C 13 43.175 0.000 . 1 . . . A 48 ARG CD . 19498 1 440 . 1 1 48 48 ARG N N 15 117.098 0.000 . 1 . . . A 48 ARG N . 19498 1 441 . 1 1 49 49 SER H H 1 8.142 0.000 . 1 . . . A 49 SER H . 19498 1 442 . 1 1 49 49 SER HA H 1 4.614 0.000 . 1 . . . A 49 SER HA . 19498 1 443 . 1 1 49 49 SER HB2 H 1 3.878 0.000 . 2 . . . A 49 SER HB2 . 19498 1 444 . 1 1 49 49 SER HB3 H 1 4.040 0.000 . 2 . . . A 49 SER HB3 . 19498 1 445 . 1 1 49 49 SER CA C 13 58.411 0.000 . 1 . . . A 49 SER CA . 19498 1 446 . 1 1 49 49 SER CB C 13 63.806 0.000 . 1 . . . A 49 SER CB . 19498 1 447 . 1 1 49 49 SER N N 15 115.006 0.000 . 1 . . . A 49 SER N . 19498 1 448 . 1 1 50 50 GLY H H 1 8.035 0.000 . 1 . . . A 50 GLY H . 19498 1 449 . 1 1 50 50 GLY HA2 H 1 3.742 0.000 . 2 . . . A 50 GLY HA2 . 19498 1 450 . 1 1 50 50 GLY HA3 H 1 4.191 0.000 . 2 . . . A 50 GLY HA3 . 19498 1 451 . 1 1 50 50 GLY CA C 13 44.997 0.000 . 1 . . . A 50 GLY CA . 19498 1 452 . 1 1 50 50 GLY N N 15 109.042 0.000 . 1 . . . A 50 GLY N . 19498 1 453 . 1 1 51 51 ASN H H 1 8.613 0.000 . 1 . . . A 51 ASN H . 19498 1 454 . 1 1 51 51 ASN HA H 1 4.546 0.000 . 1 . . . A 51 ASN HA . 19498 1 455 . 1 1 51 51 ASN HB2 H 1 2.520 0.000 . 2 . . . A 51 ASN HB2 . 19498 1 456 . 1 1 51 51 ASN HB3 H 1 2.818 0.000 . 2 . . . A 51 ASN HB3 . 19498 1 457 . 1 1 51 51 ASN CA C 13 53.419 0.000 . 1 . . . A 51 ASN CA . 19498 1 458 . 1 1 51 51 ASN CB C 13 38.422 0.000 . 1 . . . A 51 ASN CB . 19498 1 459 . 1 1 51 51 ASN N N 15 119.842 0.000 . 1 . . . A 51 ASN N . 19498 1 460 . 1 1 52 52 LEU H H 1 8.631 0.000 . 1 . . . A 52 LEU H . 19498 1 461 . 1 1 52 52 LEU HA H 1 4.142 0.000 . 1 . . . A 52 LEU HA . 19498 1 462 . 1 1 52 52 LEU HB2 H 1 1.497 0.000 . 2 . . . A 52 LEU HB2 . 19498 1 463 . 1 1 52 52 LEU HB3 H 1 1.868 0.000 . 2 . . . A 52 LEU HB3 . 19498 1 464 . 1 1 52 52 LEU HG H 1 1.958 0.000 . 1 . . . A 52 LEU HG . 19498 1 465 . 1 1 52 52 LEU CA C 13 56.023 0.000 . 1 . . . A 52 LEU CA . 19498 1 466 . 1 1 52 52 LEU CB C 13 42.353 0.000 . 1 . . . A 52 LEU CB . 19498 1 467 . 1 1 52 52 LEU CG C 13 26.459 0.000 . 1 . . . A 52 LEU CG . 19498 1 468 . 1 1 52 52 LEU N N 15 124.085 0.000 . 1 . . . A 52 LEU N . 19498 1 469 . 1 1 53 53 ILE H H 1 9.432 0.000 . 1 . . . A 53 ILE H . 19498 1 470 . 1 1 53 53 ILE HA H 1 4.137 0.000 . 1 . . . A 53 ILE HA . 19498 1 471 . 1 1 53 53 ILE HB H 1 1.595 0.000 . 1 . . . A 53 ILE HB . 19498 1 472 . 1 1 53 53 ILE HG12 H 1 1.260 0.000 . 2 . . . A 53 ILE HG12 . 19498 1 473 . 1 1 53 53 ILE HG13 H 1 1.311 0.000 . 2 . . . A 53 ILE HG13 . 19498 1 474 . 1 1 53 53 ILE HG21 H 1 0.734 0.000 . 1 . . . A 53 ILE HG21 . 19498 1 475 . 1 1 53 53 ILE HG22 H 1 0.734 0.000 . 1 . . . A 53 ILE HG22 . 19498 1 476 . 1 1 53 53 ILE HG23 H 1 0.734 0.000 . 1 . . . A 53 ILE HG23 . 19498 1 477 . 1 1 53 53 ILE HD11 H 1 0.589 0.000 . 1 . . . A 53 ILE HD11 . 19498 1 478 . 1 1 53 53 ILE HD12 H 1 0.589 0.000 . 1 . . . A 53 ILE HD12 . 19498 1 479 . 1 1 53 53 ILE HD13 H 1 0.589 0.000 . 1 . . . A 53 ILE HD13 . 19498 1 480 . 1 1 53 53 ILE CA C 13 61.800 0.000 . 1 . . . A 53 ILE CA . 19498 1 481 . 1 1 53 53 ILE CB C 13 37.256 0.000 . 1 . . . A 53 ILE CB . 19498 1 482 . 1 1 53 53 ILE CG1 C 13 27.518 0.000 . 1 . . . A 53 ILE CG1 . 19498 1 483 . 1 1 53 53 ILE CG2 C 13 17.274 0.000 . 1 . . . A 53 ILE CG2 . 19498 1 484 . 1 1 53 53 ILE CD1 C 13 11.238 0.000 . 1 . . . A 53 ILE CD1 . 19498 1 485 . 1 1 53 53 ILE N N 15 129.362 0.000 . 1 . . . A 53 ILE N . 19498 1 486 . 1 1 54 54 ASP H H 1 7.761 0.000 . 1 . . . A 54 ASP H . 19498 1 487 . 1 1 54 54 ASP HA H 1 4.847 0.000 . 1 . . . A 54 ASP HA . 19498 1 488 . 1 1 54 54 ASP HB2 H 1 2.660 0.000 . 2 . . . A 54 ASP HB2 . 19498 1 489 . 1 1 54 54 ASP HB3 H 1 2.770 0.000 . 2 . . . A 54 ASP HB3 . 19498 1 490 . 1 1 54 54 ASP CA C 13 53.586 0.000 . 1 . . . A 54 ASP CA . 19498 1 491 . 1 1 54 54 ASP CB C 13 44.500 0.000 . 1 . . . A 54 ASP CB . 19498 1 492 . 1 1 54 54 ASP N N 15 113.575 0.000 . 1 . . . A 54 ASP N . 19498 1 493 . 1 1 55 55 THR H H 1 10.106 0.000 . 1 . . . A 55 THR H . 19498 1 494 . 1 1 55 55 THR HA H 1 5.427 0.000 . 1 . . . A 55 THR HA . 19498 1 495 . 1 1 55 55 THR HB H 1 4.287 0.000 . 1 . . . A 55 THR HB . 19498 1 496 . 1 1 55 55 THR HG21 H 1 1.169 0.000 . 1 . . . A 55 THR HG21 . 19498 1 497 . 1 1 55 55 THR HG22 H 1 1.169 0.000 . 1 . . . A 55 THR HG22 . 19498 1 498 . 1 1 55 55 THR HG23 H 1 1.169 0.000 . 1 . . . A 55 THR HG23 . 19498 1 499 . 1 1 55 55 THR CA C 13 59.185 0.000 . 1 . . . A 55 THR CA . 19498 1 500 . 1 1 55 55 THR CB C 13 70.551 0.000 . 1 . . . A 55 THR CB . 19498 1 501 . 1 1 55 55 THR CG2 C 13 18.358 0.000 . 1 . . . A 55 THR CG2 . 19498 1 502 . 1 1 55 55 THR N N 15 115.783 0.000 . 1 . . . A 55 THR N . 19498 1 503 . 1 1 56 56 SER H H 1 7.872 0.000 . 1 . . . A 56 SER H . 19498 1 504 . 1 1 56 56 SER HA H 1 4.135 0.000 . 1 . . . A 56 SER HA . 19498 1 505 . 1 1 56 56 SER HB2 H 1 1.956 0.000 . 2 . . . A 56 SER HB2 . 19498 1 506 . 1 1 56 56 SER HB3 H 1 2.535 0.000 . 2 . . . A 56 SER HB3 . 19498 1 507 . 1 1 56 56 SER CA C 13 58.001 0.000 . 1 . . . A 56 SER CA . 19498 1 508 . 1 1 56 56 SER CB C 13 65.039 0.000 . 1 . . . A 56 SER CB . 19498 1 509 . 1 1 56 56 SER N N 15 119.808 0.000 . 1 . . . A 56 SER N . 19498 1 510 . 1 1 57 57 THR H H 1 7.524 0.000 . 1 . . . A 57 THR H . 19498 1 511 . 1 1 57 57 THR HA H 1 4.964 0.000 . 1 . . . A 57 THR HA . 19498 1 512 . 1 1 57 57 THR HB H 1 3.676 0.000 . 1 . . . A 57 THR HB . 19498 1 513 . 1 1 57 57 THR HG21 H 1 0.840 0.000 . 1 . . . A 57 THR HG21 . 19498 1 514 . 1 1 57 57 THR HG22 H 1 0.840 0.000 . 1 . . . A 57 THR HG22 . 19498 1 515 . 1 1 57 57 THR HG23 H 1 0.840 0.000 . 1 . . . A 57 THR HG23 . 19498 1 516 . 1 1 57 57 THR CA C 13 61.001 0.000 . 1 . . . A 57 THR CA . 19498 1 517 . 1 1 57 57 THR CB C 13 70.881 0.000 . 1 . . . A 57 THR CB . 19498 1 518 . 1 1 57 57 THR CG2 C 13 21.615 0.000 . 1 . . . A 57 THR CG2 . 19498 1 519 . 1 1 57 57 THR N N 15 117.962 0.000 . 1 . . . A 57 THR N . 19498 1 520 . 1 1 58 58 PHE H H 1 8.861 0.000 . 1 . . . A 58 PHE H . 19498 1 521 . 1 1 58 58 PHE HA H 1 4.603 0.000 . 1 . . . A 58 PHE HA . 19498 1 522 . 1 1 58 58 PHE HB2 H 1 2.896 0.000 . 2 . . . A 58 PHE HB2 . 19498 1 523 . 1 1 58 58 PHE HB3 H 1 2.374 0.000 . 2 . . . A 58 PHE HB3 . 19498 1 524 . 1 1 58 58 PHE HD1 H 1 7.040 0.000 . 3 . . . A 58 PHE HD1 . 19498 1 525 . 1 1 58 58 PHE HD2 H 1 7.040 0.000 . 3 . . . A 58 PHE HD2 . 19498 1 526 . 1 1 58 58 PHE HE1 H 1 6.786 0.000 . 3 . . . A 58 PHE HE1 . 19498 1 527 . 1 1 58 58 PHE HE2 H 1 6.786 0.000 . 3 . . . A 58 PHE HE2 . 19498 1 528 . 1 1 58 58 PHE CA C 13 56.648 0.000 . 1 . . . A 58 PHE CA . 19498 1 529 . 1 1 58 58 PHE CB C 13 43.583 0.000 . 1 . . . A 58 PHE CB . 19498 1 530 . 1 1 58 58 PHE CD1 C 13 132.526 0.000 . 3 . . . A 58 PHE CD1 . 19498 1 531 . 1 1 58 58 PHE CD2 C 13 132.526 0.000 . 3 . . . A 58 PHE CD2 . 19498 1 532 . 1 1 58 58 PHE CE1 C 13 129.960 0.000 . 3 . . . A 58 PHE CE1 . 19498 1 533 . 1 1 58 58 PHE CE2 C 13 129.960 0.000 . 3 . . . A 58 PHE CE2 . 19498 1 534 . 1 1 58 58 PHE N N 15 123.853 0.000 . 1 . . . A 58 PHE N . 19498 1 535 . 1 1 59 59 TYR H H 1 8.328 0.000 . 1 . . . A 59 TYR H . 19498 1 536 . 1 1 59 59 TYR HA H 1 5.328 0.000 . 1 . . . A 59 TYR HA . 19498 1 537 . 1 1 59 59 TYR HB2 H 1 2.720 0.000 . 2 . . . A 59 TYR HB2 . 19498 1 538 . 1 1 59 59 TYR HB3 H 1 2.820 0.000 . 2 . . . A 59 TYR HB3 . 19498 1 539 . 1 1 59 59 TYR HD1 H 1 6.960 0.000 . 3 . . . A 59 TYR HD1 . 19498 1 540 . 1 1 59 59 TYR HD2 H 1 6.960 0.000 . 3 . . . A 59 TYR HD2 . 19498 1 541 . 1 1 59 59 TYR HE1 H 1 6.686 0.000 . 3 . . . A 59 TYR HE1 . 19498 1 542 . 1 1 59 59 TYR HE2 H 1 6.686 0.000 . 3 . . . A 59 TYR HE2 . 19498 1 543 . 1 1 59 59 TYR CA C 13 56.221 0.000 . 1 . . . A 59 TYR CA . 19498 1 544 . 1 1 59 59 TYR CB C 13 42.106 0.000 . 1 . . . A 59 TYR CB . 19498 1 545 . 1 1 59 59 TYR CD1 C 13 133.620 0.000 . 3 . . . A 59 TYR CD1 . 19498 1 546 . 1 1 59 59 TYR CD2 C 13 133.620 0.000 . 3 . . . A 59 TYR CD2 . 19498 1 547 . 1 1 59 59 TYR CE1 C 13 117.399 0.000 . 3 . . . A 59 TYR CE1 . 19498 1 548 . 1 1 59 59 TYR CE2 C 13 117.399 0.000 . 3 . . . A 59 TYR CE2 . 19498 1 549 . 1 1 59 59 TYR N N 15 117.898 0.000 . 1 . . . A 59 TYR N . 19498 1 550 . 1 1 60 60 HIS HD2 H 1 7.149 0.000 . 1 . . . A 60 HIS HD2 . 19498 1 551 . 1 1 60 60 HIS CA C 13 60.065 0.000 . 1 . . . A 60 HIS CA . 19498 1 552 . 1 1 60 60 HIS CB C 13 34.284 0.000 . 1 . . . A 60 HIS CB . 19498 1 553 . 1 1 60 60 HIS CD2 C 13 117.250 0.000 . 1 . . . A 60 HIS CD2 . 19498 1 554 . 1 1 61 61 HIS H H 1 7.734 0.000 . 1 . . . A 61 HIS H . 19498 1 555 . 1 1 61 61 HIS HD2 H 1 7.247 0.000 . 1 . . . A 61 HIS HD2 . 19498 1 556 . 1 1 61 61 HIS CA C 13 58.001 0.000 . 1 . . . A 61 HIS CA . 19498 1 557 . 1 1 61 61 HIS CB C 13 29.999 0.000 . 1 . . . A 61 HIS CB . 19498 1 558 . 1 1 61 61 HIS CD2 C 13 119.761 0.000 . 1 . . . A 61 HIS CD2 . 19498 1 559 . 1 1 61 61 HIS N N 15 121.880 0.000 . 1 . . . A 61 HIS N . 19498 1 560 . 1 1 62 62 ASP HA H 1 4.870 0.000 . 1 . . . A 62 ASP HA . 19498 1 561 . 1 1 62 62 ASP HB2 H 1 2.516 0.000 . 2 . . . A 62 ASP HB2 . 19498 1 562 . 1 1 62 62 ASP HB3 H 1 2.517 0.000 . 2 . . . A 62 ASP HB3 . 19498 1 563 . 1 1 62 62 ASP CA C 13 53.348 0.000 . 1 . . . A 62 ASP CA . 19498 1 564 . 1 1 62 62 ASP CB C 13 42.600 0.000 . 1 . . . A 62 ASP CB . 19498 1 565 . 1 1 62 62 ASP N N 15 128.148 0.000 . 1 . . . A 62 ASP N . 19498 1 566 . 1 1 63 63 GLU H H 1 8.982 0.000 . 1 . . . A 63 GLU H . 19498 1 567 . 1 1 63 63 GLU HA H 1 3.795 0.000 . 1 . . . A 63 GLU HA . 19498 1 568 . 1 1 63 63 GLU HB2 H 1 2.113 0.000 . 2 . . . A 63 GLU HB2 . 19498 1 569 . 1 1 63 63 GLU HB3 H 1 2.206 0.000 . 2 . . . A 63 GLU HB3 . 19498 1 570 . 1 1 63 63 GLU HG2 H 1 2.295 0.000 . 1 . . . A 63 GLU HG2 . 19498 1 571 . 1 1 63 63 GLU HG3 H 1 2.295 0.000 . 1 . . . A 63 GLU HG3 . 19498 1 572 . 1 1 63 63 GLU CA C 13 59.863 0.000 . 1 . . . A 63 GLU CA . 19498 1 573 . 1 1 63 63 GLU CB C 13 34.007 0.000 . 1 . . . A 63 GLU CB . 19498 1 574 . 1 1 63 63 GLU CG C 13 36.622 0.000 . 1 . . . A 63 GLU CG . 19498 1 575 . 1 1 63 63 GLU N N 15 126.564 0.000 . 1 . . . A 63 GLU N . 19498 1 576 . 1 1 64 64 ASP H H 1 8.272 0.000 . 1 . . . A 64 ASP H . 19498 1 577 . 1 1 64 64 ASP HA H 1 4.401 0.000 . 1 . . . A 64 ASP HA . 19498 1 578 . 1 1 64 64 ASP HB2 H 1 2.780 0.000 . 2 . . . A 64 ASP HB2 . 19498 1 579 . 1 1 64 64 ASP HB3 H 1 2.646 0.000 . 2 . . . A 64 ASP HB3 . 19498 1 580 . 1 1 64 64 ASP CA C 13 57.664 0.000 . 1 . . . A 64 ASP CA . 19498 1 581 . 1 1 64 64 ASP CB C 13 40.369 0.000 . 1 . . . A 64 ASP CB . 19498 1 582 . 1 1 64 64 ASP N N 15 117.779 0.000 . 1 . . . A 64 ASP N . 19498 1 583 . 1 1 65 65 VAL H H 1 7.335 0.000 . 1 . . . A 65 VAL H . 19498 1 584 . 1 1 65 65 VAL HA H 1 3.386 0.000 . 1 . . . A 65 VAL HA . 19498 1 585 . 1 1 65 65 VAL HB H 1 1.334 0.000 . 1 . . . A 65 VAL HB . 19498 1 586 . 1 1 65 65 VAL HG11 H 1 0.300 0.000 . 2 . . . A 65 VAL HG11 . 19498 1 587 . 1 1 65 65 VAL HG12 H 1 0.300 0.000 . 2 . . . A 65 VAL HG12 . 19498 1 588 . 1 1 65 65 VAL HG13 H 1 0.300 0.000 . 2 . . . A 65 VAL HG13 . 19498 1 589 . 1 1 65 65 VAL HG21 H 1 0.757 0.000 . 2 . . . A 65 VAL HG21 . 19498 1 590 . 1 1 65 65 VAL HG22 H 1 0.757 0.000 . 2 . . . A 65 VAL HG22 . 19498 1 591 . 1 1 65 65 VAL HG23 H 1 0.757 0.000 . 2 . . . A 65 VAL HG23 . 19498 1 592 . 1 1 65 65 VAL CA C 13 65.913 0.000 . 1 . . . A 65 VAL CA . 19498 1 593 . 1 1 65 65 VAL CB C 13 31.465 0.000 . 1 . . . A 65 VAL CB . 19498 1 594 . 1 1 65 65 VAL CG1 C 13 20.656 0.000 . 2 . . . A 65 VAL CG1 . 19498 1 595 . 1 1 65 65 VAL CG2 C 13 21.992 0.000 . 2 . . . A 65 VAL CG2 . 19498 1 596 . 1 1 65 65 VAL N N 15 121.948 0.000 . 1 . . . A 65 VAL N . 19498 1 597 . 1 1 66 66 LEU H H 1 8.164 0.000 . 1 . . . A 66 LEU H . 19498 1 598 . 1 1 66 66 LEU HA H 1 3.905 0.000 . 1 . . . A 66 LEU HA . 19498 1 599 . 1 1 66 66 LEU HB2 H 1 1.368 0.000 . 2 . . . A 66 LEU HB2 . 19498 1 600 . 1 1 66 66 LEU HB3 H 1 1.883 0.000 . 2 . . . A 66 LEU HB3 . 19498 1 601 . 1 1 66 66 LEU HG H 1 1.411 0.000 . 1 . . . A 66 LEU HG . 19498 1 602 . 1 1 66 66 LEU HD11 H 1 0.649 0.000 . 2 . . . A 66 LEU HD11 . 19498 1 603 . 1 1 66 66 LEU HD12 H 1 0.649 0.000 . 2 . . . A 66 LEU HD12 . 19498 1 604 . 1 1 66 66 LEU HD13 H 1 0.649 0.000 . 2 . . . A 66 LEU HD13 . 19498 1 605 . 1 1 66 66 LEU HD21 H 1 0.589 0.000 . 2 . . . A 66 LEU HD21 . 19498 1 606 . 1 1 66 66 LEU HD22 H 1 0.589 0.000 . 2 . . . A 66 LEU HD22 . 19498 1 607 . 1 1 66 66 LEU HD23 H 1 0.589 0.000 . 2 . . . A 66 LEU HD23 . 19498 1 608 . 1 1 66 66 LEU CA C 13 58.076 0.000 . 1 . . . A 66 LEU CA . 19498 1 609 . 1 1 66 66 LEU CB C 13 42.160 0.000 . 1 . . . A 66 LEU CB . 19498 1 610 . 1 1 66 66 LEU CG C 13 26.916 0.000 . 1 . . . A 66 LEU CG . 19498 1 611 . 1 1 66 66 LEU CD1 C 13 23.668 0.000 . 2 . . . A 66 LEU CD1 . 19498 1 612 . 1 1 66 66 LEU CD2 C 13 26.334 0.000 . 2 . . . A 66 LEU CD2 . 19498 1 613 . 1 1 66 66 LEU N N 15 120.747 0.000 . 1 . . . A 66 LEU N . 19498 1 614 . 1 1 67 67 PHE H H 1 8.350 0.000 . 1 . . . A 67 PHE H . 19498 1 615 . 1 1 67 67 PHE HA H 1 3.900 0.000 . 1 . . . A 67 PHE HA . 19498 1 616 . 1 1 67 67 PHE HB2 H 1 2.892 0.000 . 1 . . . A 67 PHE HB2 . 19498 1 617 . 1 1 67 67 PHE HB3 H 1 2.892 0.000 . 1 . . . A 67 PHE HB3 . 19498 1 618 . 1 1 67 67 PHE HD1 H 1 6.805 0.000 . 3 . . . A 67 PHE HD1 . 19498 1 619 . 1 1 67 67 PHE HD2 H 1 6.805 0.000 . 3 . . . A 67 PHE HD2 . 19498 1 620 . 1 1 67 67 PHE HE1 H 1 6.670 0.000 . 3 . . . A 67 PHE HE1 . 19498 1 621 . 1 1 67 67 PHE HE2 H 1 6.670 0.000 . 3 . . . A 67 PHE HE2 . 19498 1 622 . 1 1 67 67 PHE CA C 13 62.849 0.000 . 1 . . . A 67 PHE CA . 19498 1 623 . 1 1 67 67 PHE CB C 13 38.003 0.000 . 1 . . . A 67 PHE CB . 19498 1 624 . 1 1 67 67 PHE CD1 C 13 129.229 0.000 . 3 . . . A 67 PHE CD1 . 19498 1 625 . 1 1 67 67 PHE CD2 C 13 129.229 0.000 . 3 . . . A 67 PHE CD2 . 19498 1 626 . 1 1 67 67 PHE CE1 C 13 128.054 0.000 . 3 . . . A 67 PHE CE1 . 19498 1 627 . 1 1 67 67 PHE CE2 C 13 128.054 0.000 . 3 . . . A 67 PHE CE2 . 19498 1 628 . 1 1 67 67 PHE N N 15 116.553 0.000 . 1 . . . A 67 PHE N . 19498 1 629 . 1 1 68 68 ASN H H 1 8.001 0.000 . 1 . . . A 68 ASN H . 19498 1 630 . 1 1 68 68 ASN HA H 1 4.415 0.000 . 1 . . . A 68 ASN HA . 19498 1 631 . 1 1 68 68 ASN HB2 H 1 2.914 0.000 . 1 . . . A 68 ASN HB2 . 19498 1 632 . 1 1 68 68 ASN HB3 H 1 2.914 0.000 . 1 . . . A 68 ASN HB3 . 19498 1 633 . 1 1 68 68 ASN CA C 13 56.725 0.000 . 1 . . . A 68 ASN CA . 19498 1 634 . 1 1 68 68 ASN CB C 13 38.071 0.000 . 1 . . . A 68 ASN CB . 19498 1 635 . 1 1 68 68 ASN N N 15 121.020 0.000 . 1 . . . A 68 ASN N . 19498 1 636 . 1 1 69 69 MET H H 1 8.465 0.000 . 1 . . . A 69 MET H . 19498 1 637 . 1 1 69 69 MET HA H 1 4.011 0.000 . 1 . . . A 69 MET HA . 19498 1 638 . 1 1 69 69 MET HB2 H 1 2.585 0.000 . 1 . . . A 69 MET HB2 . 19498 1 639 . 1 1 69 69 MET HB3 H 1 2.585 0.000 . 1 . . . A 69 MET HB3 . 19498 1 640 . 1 1 69 69 MET HG2 H 1 2.493 0.000 . 2 . . . A 69 MET HG2 . 19498 1 641 . 1 1 69 69 MET HG3 H 1 2.740 0.000 . 2 . . . A 69 MET HG3 . 19498 1 642 . 1 1 69 69 MET HE1 H 1 2.285 0.000 . 1 . . . A 69 MET HE1 . 19498 1 643 . 1 1 69 69 MET HE2 H 1 2.285 0.000 . 1 . . . A 69 MET HE2 . 19498 1 644 . 1 1 69 69 MET HE3 H 1 2.285 0.000 . 1 . . . A 69 MET HE3 . 19498 1 645 . 1 1 69 69 MET CA C 13 59.605 0.000 . 1 . . . A 69 MET CA . 19498 1 646 . 1 1 69 69 MET CB C 13 31.867 0.000 . 1 . . . A 69 MET CB . 19498 1 647 . 1 1 69 69 MET CG C 13 31.630 0.000 . 1 . . . A 69 MET CG . 19498 1 648 . 1 1 69 69 MET CE C 13 17.077 0.000 . 1 . . . A 69 MET CE . 19498 1 649 . 1 1 69 69 MET N N 15 120.402 0.000 . 1 . . . A 69 MET N . 19498 1 650 . 1 1 70 70 CYS H H 1 7.616 0.000 . 1 . . . A 70 CYS H . 19498 1 651 . 1 1 70 70 CYS HB2 H 1 2.482 0.000 . 2 . . . A 70 CYS HB2 . 19498 1 652 . 1 1 70 70 CYS HB3 H 1 3.080 0.000 . 2 . . . A 70 CYS HB3 . 19498 1 653 . 1 1 70 70 CYS CA C 13 63.145 0.000 . 1 . . . A 70 CYS CA . 19498 1 654 . 1 1 70 70 CYS CB C 13 27.510 0.000 . 1 . . . A 70 CYS CB . 19498 1 655 . 1 1 70 70 CYS N N 15 117.496 0.000 . 1 . . . A 70 CYS N . 19498 1 656 . 1 1 71 71 THR H H 1 8.509 0.000 . 1 . . . A 71 THR H . 19498 1 657 . 1 1 71 71 THR HA H 1 4.270 0.000 . 1 . . . A 71 THR HA . 19498 1 658 . 1 1 71 71 THR HB H 1 3.620 0.000 . 1 . . . A 71 THR HB . 19498 1 659 . 1 1 71 71 THR HG21 H 1 1.070 0.000 . 1 . . . A 71 THR HG21 . 19498 1 660 . 1 1 71 71 THR HG22 H 1 1.070 0.000 . 1 . . . A 71 THR HG22 . 19498 1 661 . 1 1 71 71 THR HG23 H 1 1.070 0.000 . 1 . . . A 71 THR HG23 . 19498 1 662 . 1 1 71 71 THR CA C 13 67.980 0.000 . 1 . . . A 71 THR CA . 19498 1 663 . 1 1 71 71 THR CB C 13 67.949 0.000 . 1 . . . A 71 THR CB . 19498 1 664 . 1 1 71 71 THR CG2 C 13 22.330 0.000 . 1 . . . A 71 THR CG2 . 19498 1 665 . 1 1 71 71 THR N N 15 118.640 0.000 . 1 . . . A 71 THR N . 19498 1 666 . 1 1 72 72 ASP HA H 1 4.430 0.000 . 1 . . . A 72 ASP HA . 19498 1 667 . 1 1 72 72 ASP HB2 H 1 2.635 0.000 . 2 . . . A 72 ASP HB2 . 19498 1 668 . 1 1 72 72 ASP HB3 H 1 2.767 0.000 . 2 . . . A 72 ASP HB3 . 19498 1 669 . 1 1 72 72 ASP CA C 13 57.590 0.000 . 1 . . . A 72 ASP CA . 19498 1 670 . 1 1 72 72 ASP CB C 13 40.415 0.000 . 1 . . . A 72 ASP CB . 19498 1 671 . 1 1 73 73 TRP H H 1 7.780 0.000 . 1 . . . A 73 TRP H . 19498 1 672 . 1 1 73 73 TRP HA H 1 4.407 0.000 . 1 . . . A 73 TRP HA . 19498 1 673 . 1 1 73 73 TRP HB2 H 1 3.481 0.000 . 1 . . . A 73 TRP HB2 . 19498 1 674 . 1 1 73 73 TRP HB3 H 1 3.481 0.000 . 1 . . . A 73 TRP HB3 . 19498 1 675 . 1 1 73 73 TRP HD1 H 1 7.604 0.000 . 1 . . . A 73 TRP HD1 . 19498 1 676 . 1 1 73 73 TRP HE1 H 1 10.563 0.000 . 1 . . . A 73 TRP HE1 . 19498 1 677 . 1 1 73 73 TRP HE3 H 1 7.435 0.000 . 1 . . . A 73 TRP HE3 . 19498 1 678 . 1 1 73 73 TRP HZ2 H 1 7.282 0.000 . 1 . . . A 73 TRP HZ2 . 19498 1 679 . 1 1 73 73 TRP HZ3 H 1 6.857 0.000 . 1 . . . A 73 TRP HZ3 . 19498 1 680 . 1 1 73 73 TRP HH2 H 1 6.687 0.000 . 1 . . . A 73 TRP HH2 . 19498 1 681 . 1 1 73 73 TRP CA C 13 62.951 0.000 . 1 . . . A 73 TRP CA . 19498 1 682 . 1 1 73 73 TRP CB C 13 29.114 0.000 . 1 . . . A 73 TRP CB . 19498 1 683 . 1 1 73 73 TRP CD1 C 13 127.414 0.000 . 1 . . . A 73 TRP CD1 . 19498 1 684 . 1 1 73 73 TRP CE3 C 13 119.203 0.000 . 1 . . . A 73 TRP CE3 . 19498 1 685 . 1 1 73 73 TRP CZ2 C 13 114.509 0.000 . 1 . . . A 73 TRP CZ2 . 19498 1 686 . 1 1 73 73 TRP CZ3 C 13 120.805 0.000 . 1 . . . A 73 TRP CZ3 . 19498 1 687 . 1 1 73 73 TRP CH2 C 13 121.469 0.000 . 1 . . . A 73 TRP CH2 . 19498 1 688 . 1 1 73 73 TRP N N 15 121.657 0.000 . 1 . . . A 73 TRP N . 19498 1 689 . 1 1 73 73 TRP NE1 N 15 132.344 0.000 . 1 . . . A 73 TRP NE1 . 19498 1 690 . 1 1 74 74 LEU H H 1 8.490 0.000 . 1 . . . A 74 LEU H . 19498 1 691 . 1 1 74 74 LEU HA H 1 3.582 0.000 . 1 . . . A 74 LEU HA . 19498 1 692 . 1 1 74 74 LEU HB2 H 1 1.080 0.000 . 2 . . . A 74 LEU HB2 . 19498 1 693 . 1 1 74 74 LEU HB3 H 1 2.688 0.000 . 2 . . . A 74 LEU HB3 . 19498 1 694 . 1 1 74 74 LEU HG H 1 2.185 0.000 . 1 . . . A 74 LEU HG . 19498 1 695 . 1 1 74 74 LEU HD11 H 1 0.647 0.000 . 2 . . . A 74 LEU HD11 . 19498 1 696 . 1 1 74 74 LEU HD12 H 1 0.647 0.000 . 2 . . . A 74 LEU HD12 . 19498 1 697 . 1 1 74 74 LEU HD13 H 1 0.647 0.000 . 2 . . . A 74 LEU HD13 . 19498 1 698 . 1 1 74 74 LEU HD21 H 1 1.061 0.000 . 2 . . . A 74 LEU HD21 . 19498 1 699 . 1 1 74 74 LEU HD22 H 1 1.061 0.000 . 2 . . . A 74 LEU HD22 . 19498 1 700 . 1 1 74 74 LEU HD23 H 1 1.061 0.000 . 2 . . . A 74 LEU HD23 . 19498 1 701 . 1 1 74 74 LEU CA C 13 58.184 0.000 . 1 . . . A 74 LEU CA . 19498 1 702 . 1 1 74 74 LEU CB C 13 37.610 0.000 . 1 . . . A 74 LEU CB . 19498 1 703 . 1 1 74 74 LEU CG C 13 26.701 0.000 . 1 . . . A 74 LEU CG . 19498 1 704 . 1 1 74 74 LEU CD1 C 13 27.686 0.000 . 2 . . . A 74 LEU CD1 . 19498 1 705 . 1 1 74 74 LEU CD2 C 13 24.061 0.000 . 2 . . . A 74 LEU CD2 . 19498 1 706 . 1 1 74 74 LEU N N 15 118.727 0.000 . 1 . . . A 74 LEU N . 19498 1 707 . 1 1 75 75 ASN H H 1 8.639 0.000 . 1 . . . A 75 ASN H . 19498 1 708 . 1 1 75 75 ASN HA H 1 4.527 0.000 . 1 . . . A 75 ASN HA . 19498 1 709 . 1 1 75 75 ASN HB2 H 1 2.729 0.000 . 2 . . . A 75 ASN HB2 . 19498 1 710 . 1 1 75 75 ASN HB3 H 1 2.928 0.000 . 2 . . . A 75 ASN HB3 . 19498 1 711 . 1 1 75 75 ASN CA C 13 56.501 0.000 . 1 . . . A 75 ASN CA . 19498 1 712 . 1 1 75 75 ASN CB C 13 37.999 0.000 . 1 . . . A 75 ASN CB . 19498 1 713 . 1 1 75 75 ASN N N 15 117.962 0.000 . 1 . . . A 75 ASN N . 19498 1 714 . 1 1 76 76 HIS H H 1 8.158 0.000 . 1 . . . A 76 HIS H . 19498 1 715 . 1 1 76 76 HIS HA H 1 4.450 0.000 . 1 . . . A 76 HIS HA . 19498 1 716 . 1 1 76 76 HIS HB2 H 1 3.337 0.000 . 1 . . . A 76 HIS HB2 . 19498 1 717 . 1 1 76 76 HIS HB3 H 1 3.337 0.000 . 1 . . . A 76 HIS HB3 . 19498 1 718 . 1 1 76 76 HIS HD2 H 1 7.015 0.000 . 1 . . . A 76 HIS HD2 . 19498 1 719 . 1 1 76 76 HIS CA C 13 58.737 0.000 . 1 . . . A 76 HIS CA . 19498 1 720 . 1 1 76 76 HIS CB C 13 28.007 0.000 . 1 . . . A 76 HIS CB . 19498 1 721 . 1 1 76 76 HIS CD2 C 13 119.580 0.000 . 1 . . . A 76 HIS CD2 . 19498 1 722 . 1 1 76 76 HIS N N 15 120.823 0.000 . 1 . . . A 76 HIS N . 19498 1 723 . 1 1 77 77 MET H H 1 8.404 0.000 . 1 . . . A 77 MET H . 19498 1 724 . 1 1 77 77 MET HA H 1 4.071 0.000 . 1 . . . A 77 MET HA . 19498 1 725 . 1 1 77 77 MET HB2 H 1 1.151 0.000 . 1 . . . A 77 MET HB2 . 19498 1 726 . 1 1 77 77 MET HB3 H 1 1.151 0.000 . 1 . . . A 77 MET HB3 . 19498 1 727 . 1 1 77 77 MET HG2 H 1 0.831 0.000 . 2 . . . A 77 MET HG2 . 19498 1 728 . 1 1 77 77 MET HG3 H 1 1.138 0.000 . 2 . . . A 77 MET HG3 . 19498 1 729 . 1 1 77 77 MET HE1 H 1 1.678 0.000 . 1 . . . A 77 MET HE1 . 19498 1 730 . 1 1 77 77 MET HE2 H 1 1.678 0.000 . 1 . . . A 77 MET HE2 . 19498 1 731 . 1 1 77 77 MET HE3 H 1 1.678 0.000 . 1 . . . A 77 MET HE3 . 19498 1 732 . 1 1 77 77 MET CA C 13 55.827 0.000 . 1 . . . A 77 MET CA . 19498 1 733 . 1 1 77 77 MET CB C 13 29.541 0.000 . 1 . . . A 77 MET CB . 19498 1 734 . 1 1 77 77 MET CG C 13 29.695 0.000 . 1 . . . A 77 MET CG . 19498 1 735 . 1 1 77 77 MET CE C 13 16.220 0.000 . 1 . . . A 77 MET CE . 19498 1 736 . 1 1 77 77 MET N N 15 118.749 0.000 . 1 . . . A 77 MET N . 19498 1 737 . 1 1 78 78 TYR H H 1 8.322 0.000 . 1 . . . A 78 TYR H . 19498 1 738 . 1 1 78 78 TYR HA H 1 3.662 0.000 . 1 . . . A 78 TYR HA . 19498 1 739 . 1 1 78 78 TYR HB2 H 1 3.010 0.000 . 2 . . . A 78 TYR HB2 . 19498 1 740 . 1 1 78 78 TYR HB3 H 1 3.146 0.000 . 2 . . . A 78 TYR HB3 . 19498 1 741 . 1 1 78 78 TYR HD1 H 1 6.937 0.000 . 3 . . . A 78 TYR HD1 . 19498 1 742 . 1 1 78 78 TYR HD2 H 1 6.937 0.000 . 3 . . . A 78 TYR HD2 . 19498 1 743 . 1 1 78 78 TYR HE1 H 1 6.788 0.000 . 3 . . . A 78 TYR HE1 . 19498 1 744 . 1 1 78 78 TYR HE2 H 1 6.788 0.000 . 3 . . . A 78 TYR HE2 . 19498 1 745 . 1 1 78 78 TYR CA C 13 62.640 0.000 . 1 . . . A 78 TYR CA . 19498 1 746 . 1 1 78 78 TYR CB C 13 37.545 0.000 . 1 . . . A 78 TYR CB . 19498 1 747 . 1 1 78 78 TYR CD1 C 13 133.023 0.000 . 3 . . . A 78 TYR CD1 . 19498 1 748 . 1 1 78 78 TYR CD2 C 13 133.023 0.000 . 3 . . . A 78 TYR CD2 . 19498 1 749 . 1 1 78 78 TYR CE1 C 13 117.807 0.000 . 3 . . . A 78 TYR CE1 . 19498 1 750 . 1 1 78 78 TYR CE2 C 13 117.807 0.000 . 3 . . . A 78 TYR CE2 . 19498 1 751 . 1 1 78 78 TYR N N 15 120.762 0.000 . 1 . . . A 78 TYR N . 19498 1 752 . 1 1 79 79 ASP H H 1 7.460 0.000 . 1 . . . A 79 ASP H . 19498 1 753 . 1 1 79 79 ASP HA H 1 4.106 0.000 . 1 . . . A 79 ASP HA . 19498 1 754 . 1 1 79 79 ASP HB2 H 1 2.715 0.000 . 1 . . . A 79 ASP HB2 . 19498 1 755 . 1 1 79 79 ASP HB3 H 1 2.715 0.000 . 1 . . . A 79 ASP HB3 . 19498 1 756 . 1 1 79 79 ASP CA C 13 57.410 0.000 . 1 . . . A 79 ASP CA . 19498 1 757 . 1 1 79 79 ASP CB C 13 40.503 0.000 . 1 . . . A 79 ASP CB . 19498 1 758 . 1 1 79 79 ASP N N 15 116.578 0.000 . 1 . . . A 79 ASP N . 19498 1 759 . 1 1 80 80 GLN H H 1 7.552 0.000 . 1 . . . A 80 GLN H . 19498 1 760 . 1 1 80 80 GLN HA H 1 4.056 0.000 . 1 . . . A 80 GLN HA . 19498 1 761 . 1 1 80 80 GLN HB2 H 1 2.036 0.000 . 1 . . . A 80 GLN HB2 . 19498 1 762 . 1 1 80 80 GLN HB3 H 1 2.036 0.000 . 1 . . . A 80 GLN HB3 . 19498 1 763 . 1 1 80 80 GLN HG2 H 1 2.160 0.000 . 1 . . . A 80 GLN HG2 . 19498 1 764 . 1 1 80 80 GLN HG3 H 1 2.160 0.000 . 1 . . . A 80 GLN HG3 . 19498 1 765 . 1 1 80 80 GLN CA C 13 57.629 0.000 . 1 . . . A 80 GLN CA . 19498 1 766 . 1 1 80 80 GLN CB C 13 29.662 0.000 . 1 . . . A 80 GLN CB . 19498 1 767 . 1 1 80 80 GLN N N 15 116.175 0.000 . 1 . . . A 80 GLN N . 19498 1 768 . 1 1 81 81 LEU H H 1 7.957 0.000 . 1 . . . A 81 LEU H . 19498 1 769 . 1 1 81 81 LEU HA H 1 4.233 0.000 . 1 . . . A 81 LEU HA . 19498 1 770 . 1 1 81 81 LEU HB2 H 1 1.325 0.000 . 1 . . . A 81 LEU HB2 . 19498 1 771 . 1 1 81 81 LEU HB3 H 1 1.325 0.000 . 1 . . . A 81 LEU HB3 . 19498 1 772 . 1 1 81 81 LEU HG H 1 1.492 0.000 . 1 . . . A 81 LEU HG . 19498 1 773 . 1 1 81 81 LEU HD11 H 1 0.466 0.000 . 2 . . . A 81 LEU HD11 . 19498 1 774 . 1 1 81 81 LEU HD12 H 1 0.466 0.000 . 2 . . . A 81 LEU HD12 . 19498 1 775 . 1 1 81 81 LEU HD13 H 1 0.466 0.000 . 2 . . . A 81 LEU HD13 . 19498 1 776 . 1 1 81 81 LEU HD21 H 1 1.287 0.000 . 2 . . . A 81 LEU HD21 . 19498 1 777 . 1 1 81 81 LEU HD22 H 1 1.287 0.000 . 2 . . . A 81 LEU HD22 . 19498 1 778 . 1 1 81 81 LEU HD23 H 1 1.287 0.000 . 2 . . . A 81 LEU HD23 . 19498 1 779 . 1 1 81 81 LEU CA C 13 55.461 0.000 . 1 . . . A 81 LEU CA . 19498 1 780 . 1 1 81 81 LEU CB C 13 42.406 0.000 . 1 . . . A 81 LEU CB . 19498 1 781 . 1 1 81 81 LEU CG C 13 26.255 0.000 . 1 . . . A 81 LEU CG . 19498 1 782 . 1 1 81 81 LEU CD1 C 13 26.072 0.000 . 2 . . . A 81 LEU CD1 . 19498 1 783 . 1 1 81 81 LEU CD2 C 13 21.786 0.000 . 2 . . . A 81 LEU CD2 . 19498 1 784 . 1 1 81 81 LEU N N 15 118.398 0.000 . 1 . . . A 81 LEU N . 19498 1 785 . 1 1 82 82 LYS H H 1 7.664 0.000 . 1 . . . A 82 LYS H . 19498 1 786 . 1 1 82 82 LYS HA H 1 3.841 0.000 . 1 . . . A 82 LYS HA . 19498 1 787 . 1 1 82 82 LYS HB2 H 1 1.433 0.000 . 1 . . . A 82 LYS HB2 . 19498 1 788 . 1 1 82 82 LYS HB3 H 1 1.433 0.000 . 1 . . . A 82 LYS HB3 . 19498 1 789 . 1 1 82 82 LYS HG2 H 1 1.020 0.000 . 1 . . . A 82 LYS HG2 . 19498 1 790 . 1 1 82 82 LYS HG3 H 1 1.020 0.000 . 1 . . . A 82 LYS HG3 . 19498 1 791 . 1 1 82 82 LYS HD2 H 1 1.220 0.000 . 1 . . . A 82 LYS HD2 . 19498 1 792 . 1 1 82 82 LYS HD3 H 1 1.220 0.000 . 1 . . . A 82 LYS HD3 . 19498 1 793 . 1 1 82 82 LYS HE2 H 1 2.917 0.000 . 1 . . . A 82 LYS HE2 . 19498 1 794 . 1 1 82 82 LYS HE3 H 1 2.917 0.000 . 1 . . . A 82 LYS HE3 . 19498 1 795 . 1 1 82 82 LYS CA C 13 58.510 0.000 . 1 . . . A 82 LYS CA . 19498 1 796 . 1 1 82 82 LYS CB C 13 30.922 0.000 . 1 . . . A 82 LYS CB . 19498 1 797 . 1 1 82 82 LYS CG C 13 23.341 0.000 . 1 . . . A 82 LYS CG . 19498 1 798 . 1 1 82 82 LYS CD C 13 29.499 0.000 . 1 . . . A 82 LYS CD . 19498 1 799 . 1 1 82 82 LYS CE C 13 42.317 0.000 . 1 . . . A 82 LYS CE . 19498 1 800 . 1 1 82 82 LYS N N 15 119.114 0.000 . 1 . . . A 82 LYS N . 19498 1 801 . 1 1 83 83 ASP H H 1 7.862 0.000 . 1 . . . A 83 ASP H . 19498 1 802 . 1 1 83 83 ASP HA H 1 4.819 0.000 . 1 . . . A 83 ASP HA . 19498 1 803 . 1 1 83 83 ASP HB2 H 1 2.479 0.000 . 2 . . . A 83 ASP HB2 . 19498 1 804 . 1 1 83 83 ASP HB3 H 1 2.751 0.000 . 2 . . . A 83 ASP HB3 . 19498 1 805 . 1 1 83 83 ASP CA C 13 53.886 0.000 . 1 . . . A 83 ASP CA . 19498 1 806 . 1 1 83 83 ASP CB C 13 40.986 0.000 . 1 . . . A 83 ASP CB . 19498 1 807 . 1 1 83 83 ASP N N 15 118.655 0.000 . 1 . . . A 83 ASP N . 19498 1 808 . 1 1 84 84 TRP H H 1 7.925 0.000 . 1 . . . A 84 TRP H . 19498 1 809 . 1 1 84 84 TRP HB2 H 1 3.375 0.000 . 1 . . . A 84 TRP HB2 . 19498 1 810 . 1 1 84 84 TRP HB3 H 1 3.375 0.000 . 1 . . . A 84 TRP HB3 . 19498 1 811 . 1 1 84 84 TRP HD1 H 1 7.365 0.000 . 1 . . . A 84 TRP HD1 . 19498 1 812 . 1 1 84 84 TRP HE1 H 1 10.173 0.000 . 1 . . . A 84 TRP HE1 . 19498 1 813 . 1 1 84 84 TRP HE3 H 1 7.612 0.000 . 1 . . . A 84 TRP HE3 . 19498 1 814 . 1 1 84 84 TRP HZ2 H 1 7.485 0.000 . 1 . . . A 84 TRP HZ2 . 19498 1 815 . 1 1 84 84 TRP HZ3 H 1 7.131 0.000 . 1 . . . A 84 TRP HZ3 . 19498 1 816 . 1 1 84 84 TRP HH2 H 1 7.259 0.000 . 1 . . . A 84 TRP HH2 . 19498 1 817 . 1 1 84 84 TRP CA C 13 58.462 0.000 . 1 . . . A 84 TRP CA . 19498 1 818 . 1 1 84 84 TRP CB C 13 28.934 0.000 . 1 . . . A 84 TRP CB . 19498 1 819 . 1 1 84 84 TRP CD1 C 13 126.257 0.000 . 1 . . . A 84 TRP CD1 . 19498 1 820 . 1 1 84 84 TRP CE3 C 13 120.533 0.000 . 1 . . . A 84 TRP CE3 . 19498 1 821 . 1 1 84 84 TRP CZ2 C 13 113.950 0.000 . 1 . . . A 84 TRP CZ2 . 19498 1 822 . 1 1 84 84 TRP CZ3 C 13 120.898 0.000 . 1 . . . A 84 TRP CZ3 . 19498 1 823 . 1 1 84 84 TRP CH2 C 13 123.911 0.000 . 1 . . . A 84 TRP CH2 . 19498 1 824 . 1 1 84 84 TRP N N 15 121.757 0.000 . 1 . . . A 84 TRP N . 19498 1 825 . 1 1 84 84 TRP NE1 N 15 129.051 0.000 . 1 . . . A 84 TRP NE1 . 19498 1 826 . 1 1 85 85 LYS H H 1 7.333 0.000 . 1 . . . A 85 LYS H . 19498 1 827 . 1 1 85 85 LYS CA C 13 57.415 0.000 . 1 . . . A 85 LYS CA . 19498 1 828 . 1 1 85 85 LYS CB C 13 34.017 0.000 . 1 . . . A 85 LYS CB . 19498 1 829 . 1 1 85 85 LYS N N 15 126.975 0.000 . 1 . . . A 85 LYS N . 19498 1 stop_ save_