data_5484 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5484 _Entry.Title ; Backbone NMR assignments of the metal-free UreE from Bacillus pasteurii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-07-31 _Entry.Accession_date 2002-07-31 _Entry.Last_release_date 2002-12-23 _Entry.Original_release_date 2002-12-23 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yeon-Hee Lee . . . 5484 2 Hyung-Sik Won . . . 5484 3 Hee-Chul Ahn . . . 5484 4 Sangho Park . . . 5484 5 Bong-Jin Lee . . . 5484 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5484 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 433 5484 '15N chemical shifts' 142 5484 '1H chemical shifts' 142 5484 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 . . 2002-12-23 2002-07-31 original author . 5484 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5484 _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 ; Letter to the Editor: Backbone NMR assignments of the metal-free UreE from Bacillus pasteurii ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 4 _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 361 _Citation.Page_last 362 _Citation.Year 2002 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yeon-Hee Lee . . . 5484 1 2 Hyung-Sik Won . . . 5484 1 3 Hee-Chul Ahn . . . 5484 1 4 Sangho Park . . . 5484 1 5 H. Yagi . . . 5484 1 6 H. Akutsu . . . 5484 1 7 Bong-Jin Lee . . . 5484 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_BpUreE _Assembly.Sf_category assembly _Assembly.Sf_framecode system_BpUreE _Assembly.Entry_ID 5484 _Assembly.ID 1 _Assembly.Name 'BpUreE dimer' _Assembly.BMRB_code . _Assembly.Number_of_components . _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 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID dimer 5484 1 stop_ 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 'BpUreE subunit 1' 1 $BpUreE . . . native . . 1 . . 5484 1 2 'BpUreE subunit 2' 1 $BpUreE . . . native . . 1 . . 5484 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID BpUreE abbreviation 5484 1 'BpUreE dimer' system 5484 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BpUreE _Entity.Sf_category entity _Entity.Sf_framecode BpUreE _Entity.Entry_ID 5484 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Bacillus pasteurii UreE' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MLITKIVGHIDDYESSDKKV DWLEVEWEDLNKRILRKETE NGTDIAIKLENSGTLRYGDV LYESDDTLIAIRTKLEKVYV IKPQTMQEMGKMAFEIGNRH TMCIIEDDEILVRYDKTLEK LIDEVGVSYEQSERRFKEPF KYRGHQH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 147 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 34768 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'symmetric homo-dimer in solution' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 5826 . BpUreE . . . . . 100.00 147 100.00 100.00 4.39e-101 . . . . 5484 1 2 no PDB 4L3K . "Crystal Structure Of Sporosarcina Pasteurii Uree Bound To Ni2+ And Zn2+" . . . . . 100.00 147 100.00 100.00 4.39e-101 . . . . 5484 1 3 no GB AAA73987 . "urease E [Sporosarcina pasteurii]" . . . . . 100.00 170 99.32 100.00 3.31e-100 . . . . 5484 1 4 no GB AAD55059 . "urease accessory protein UreE [Sporosarcina pasteurii]" . . . . . 100.00 147 100.00 100.00 4.39e-101 . . . . 5484 1 5 no SP P50049 . "RecName: Full=Urease accessory protein UreE [Sporosarcina pasteurii]" . . . . . 100.00 147 100.00 100.00 4.39e-101 . . . . 5484 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'Bacillus pasteurii UreE' common 5484 1 BpUreE abbreviation 5484 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 5484 1 2 . LEU . 5484 1 3 . ILE . 5484 1 4 . THR . 5484 1 5 . LYS . 5484 1 6 . ILE . 5484 1 7 . VAL . 5484 1 8 . GLY . 5484 1 9 . HIS . 5484 1 10 . ILE . 5484 1 11 . ASP . 5484 1 12 . ASP . 5484 1 13 . TYR . 5484 1 14 . GLU . 5484 1 15 . SER . 5484 1 16 . SER . 5484 1 17 . ASP . 5484 1 18 . LYS . 5484 1 19 . LYS . 5484 1 20 . VAL . 5484 1 21 . ASP . 5484 1 22 . TRP . 5484 1 23 . LEU . 5484 1 24 . GLU . 5484 1 25 . VAL . 5484 1 26 . GLU . 5484 1 27 . TRP . 5484 1 28 . GLU . 5484 1 29 . ASP . 5484 1 30 . LEU . 5484 1 31 . ASN . 5484 1 32 . LYS . 5484 1 33 . ARG . 5484 1 34 . ILE . 5484 1 35 . LEU . 5484 1 36 . ARG . 5484 1 37 . LYS . 5484 1 38 . GLU . 5484 1 39 . THR . 5484 1 40 . GLU . 5484 1 41 . ASN . 5484 1 42 . GLY . 5484 1 43 . THR . 5484 1 44 . ASP . 5484 1 45 . ILE . 5484 1 46 . ALA . 5484 1 47 . ILE . 5484 1 48 . LYS . 5484 1 49 . LEU . 5484 1 50 . GLU . 5484 1 51 . ASN . 5484 1 52 . SER . 5484 1 53 . GLY . 5484 1 54 . THR . 5484 1 55 . LEU . 5484 1 56 . ARG . 5484 1 57 . TYR . 5484 1 58 . GLY . 5484 1 59 . ASP . 5484 1 60 . VAL . 5484 1 61 . LEU . 5484 1 62 . TYR . 5484 1 63 . GLU . 5484 1 64 . SER . 5484 1 65 . ASP . 5484 1 66 . ASP . 5484 1 67 . THR . 5484 1 68 . LEU . 5484 1 69 . ILE . 5484 1 70 . ALA . 5484 1 71 . ILE . 5484 1 72 . ARG . 5484 1 73 . THR . 5484 1 74 . LYS . 5484 1 75 . LEU . 5484 1 76 . GLU . 5484 1 77 . LYS . 5484 1 78 . VAL . 5484 1 79 . TYR . 5484 1 80 . VAL . 5484 1 81 . ILE . 5484 1 82 . LYS . 5484 1 83 . PRO . 5484 1 84 . GLN . 5484 1 85 . THR . 5484 1 86 . MET . 5484 1 87 . GLN . 5484 1 88 . GLU . 5484 1 89 . MET . 5484 1 90 . GLY . 5484 1 91 . LYS . 5484 1 92 . MET . 5484 1 93 . ALA . 5484 1 94 . PHE . 5484 1 95 . GLU . 5484 1 96 . ILE . 5484 1 97 . GLY . 5484 1 98 . ASN . 5484 1 99 . ARG . 5484 1 100 . HIS . 5484 1 101 . THR . 5484 1 102 . MET . 5484 1 103 . CYS . 5484 1 104 . ILE . 5484 1 105 . ILE . 5484 1 106 . GLU . 5484 1 107 . ASP . 5484 1 108 . ASP . 5484 1 109 . GLU . 5484 1 110 . ILE . 5484 1 111 . LEU . 5484 1 112 . VAL . 5484 1 113 . ARG . 5484 1 114 . TYR . 5484 1 115 . ASP . 5484 1 116 . LYS . 5484 1 117 . THR . 5484 1 118 . LEU . 5484 1 119 . GLU . 5484 1 120 . LYS . 5484 1 121 . LEU . 5484 1 122 . ILE . 5484 1 123 . ASP . 5484 1 124 . GLU . 5484 1 125 . VAL . 5484 1 126 . GLY . 5484 1 127 . VAL . 5484 1 128 . SER . 5484 1 129 . TYR . 5484 1 130 . GLU . 5484 1 131 . GLN . 5484 1 132 . SER . 5484 1 133 . GLU . 5484 1 134 . ARG . 5484 1 135 . ARG . 5484 1 136 . PHE . 5484 1 137 . LYS . 5484 1 138 . GLU . 5484 1 139 . PRO . 5484 1 140 . PHE . 5484 1 141 . LYS . 5484 1 142 . TYR . 5484 1 143 . ARG . 5484 1 144 . GLY . 5484 1 145 . HIS . 5484 1 146 . GLN . 5484 1 147 . HIS . 5484 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 5484 1 . LEU 2 2 5484 1 . ILE 3 3 5484 1 . THR 4 4 5484 1 . LYS 5 5 5484 1 . ILE 6 6 5484 1 . VAL 7 7 5484 1 . GLY 8 8 5484 1 . HIS 9 9 5484 1 . ILE 10 10 5484 1 . ASP 11 11 5484 1 . ASP 12 12 5484 1 . TYR 13 13 5484 1 . GLU 14 14 5484 1 . SER 15 15 5484 1 . SER 16 16 5484 1 . ASP 17 17 5484 1 . LYS 18 18 5484 1 . LYS 19 19 5484 1 . VAL 20 20 5484 1 . ASP 21 21 5484 1 . TRP 22 22 5484 1 . LEU 23 23 5484 1 . GLU 24 24 5484 1 . VAL 25 25 5484 1 . GLU 26 26 5484 1 . TRP 27 27 5484 1 . GLU 28 28 5484 1 . ASP 29 29 5484 1 . LEU 30 30 5484 1 . ASN 31 31 5484 1 . LYS 32 32 5484 1 . ARG 33 33 5484 1 . ILE 34 34 5484 1 . LEU 35 35 5484 1 . ARG 36 36 5484 1 . LYS 37 37 5484 1 . GLU 38 38 5484 1 . THR 39 39 5484 1 . GLU 40 40 5484 1 . ASN 41 41 5484 1 . GLY 42 42 5484 1 . THR 43 43 5484 1 . ASP 44 44 5484 1 . ILE 45 45 5484 1 . ALA 46 46 5484 1 . ILE 47 47 5484 1 . LYS 48 48 5484 1 . LEU 49 49 5484 1 . GLU 50 50 5484 1 . ASN 51 51 5484 1 . SER 52 52 5484 1 . GLY 53 53 5484 1 . THR 54 54 5484 1 . LEU 55 55 5484 1 . ARG 56 56 5484 1 . TYR 57 57 5484 1 . GLY 58 58 5484 1 . ASP 59 59 5484 1 . VAL 60 60 5484 1 . LEU 61 61 5484 1 . TYR 62 62 5484 1 . GLU 63 63 5484 1 . SER 64 64 5484 1 . ASP 65 65 5484 1 . ASP 66 66 5484 1 . THR 67 67 5484 1 . LEU 68 68 5484 1 . ILE 69 69 5484 1 . ALA 70 70 5484 1 . ILE 71 71 5484 1 . ARG 72 72 5484 1 . THR 73 73 5484 1 . LYS 74 74 5484 1 . LEU 75 75 5484 1 . GLU 76 76 5484 1 . LYS 77 77 5484 1 . VAL 78 78 5484 1 . TYR 79 79 5484 1 . VAL 80 80 5484 1 . ILE 81 81 5484 1 . LYS 82 82 5484 1 . PRO 83 83 5484 1 . GLN 84 84 5484 1 . THR 85 85 5484 1 . MET 86 86 5484 1 . GLN 87 87 5484 1 . GLU 88 88 5484 1 . MET 89 89 5484 1 . GLY 90 90 5484 1 . LYS 91 91 5484 1 . MET 92 92 5484 1 . ALA 93 93 5484 1 . PHE 94 94 5484 1 . GLU 95 95 5484 1 . ILE 96 96 5484 1 . GLY 97 97 5484 1 . ASN 98 98 5484 1 . ARG 99 99 5484 1 . HIS 100 100 5484 1 . THR 101 101 5484 1 . MET 102 102 5484 1 . CYS 103 103 5484 1 . ILE 104 104 5484 1 . ILE 105 105 5484 1 . GLU 106 106 5484 1 . ASP 107 107 5484 1 . ASP 108 108 5484 1 . GLU 109 109 5484 1 . ILE 110 110 5484 1 . LEU 111 111 5484 1 . VAL 112 112 5484 1 . ARG 113 113 5484 1 . TYR 114 114 5484 1 . ASP 115 115 5484 1 . LYS 116 116 5484 1 . THR 117 117 5484 1 . LEU 118 118 5484 1 . GLU 119 119 5484 1 . LYS 120 120 5484 1 . LEU 121 121 5484 1 . ILE 122 122 5484 1 . ASP 123 123 5484 1 . GLU 124 124 5484 1 . VAL 125 125 5484 1 . GLY 126 126 5484 1 . VAL 127 127 5484 1 . SER 128 128 5484 1 . TYR 129 129 5484 1 . GLU 130 130 5484 1 . GLN 131 131 5484 1 . SER 132 132 5484 1 . GLU 133 133 5484 1 . ARG 134 134 5484 1 . ARG 135 135 5484 1 . PHE 136 136 5484 1 . LYS 137 137 5484 1 . GLU 138 138 5484 1 . PRO 139 139 5484 1 . PHE 140 140 5484 1 . LYS 141 141 5484 1 . TYR 142 142 5484 1 . ARG 143 143 5484 1 . GLY 144 144 5484 1 . HIS 145 145 5484 1 . GLN 146 146 5484 1 . HIS 147 147 5484 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 5484 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $BpUreE . 1474 . . 'Bacillus pasteurii' 'Bacillus pasteurii' . . Eubacteria . Bacillus pasteurii . . . . . . . . . . . . . . . . . . . . . 5484 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 5484 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $BpUreE . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5484 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5484 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Bacillus pasteurii UreE' '[U-90% 2H; U-13C; U-15N]' . . 1 $BpUreE . . 1.4 . . mM . . . . 5484 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 5484 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 5484 1 temperature 308 1 K 5484 1 stop_ save_ ############################ # Computer software used # ############################ save_NMR_pipe _Software.Sf_category software _Software.Sf_framecode NMR_pipe _Software.Entry_ID 5484 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . save_ save_NMR_view _Software.Sf_category software _Software.Sf_framecode NMR_view _Software.Entry_ID 5484 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5484 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5484 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5484 _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 NMR_spectrometer_1 Bruker DRX . 600 . . . 5484 1 2 NMR_spectrometer_2 Bruker DRX . 800 . . . 5484 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 5484 _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 [1H/15N]HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5484 1 2 '15N-edited NOESY-HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5484 1 3 HNCA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5484 1 4 HN(CO)CA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5484 1 5 HN(CA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5484 1 6 HN(COCA)CB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5484 1 7 HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5484 1 8 HNCACO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5484 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5484 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name [1H/15N]HSQC _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5484 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '15N-edited NOESY-HSQC' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 5484 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name HNCA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 5484 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name HN(CO)CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 5484 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name HN(CA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 5484 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name HN(COCA)CB _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 5484 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name HNCO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 5484 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name HNCACO _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5484 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5484 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5484 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5484 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 5484 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5484 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 C C 13 170.692 0.05 . 1 . . . . . . . . 5484 1 2 . 1 1 1 1 MET CA C 13 55.038 0.1 . 1 . . . . . . . . 5484 1 3 . 1 1 1 1 MET CB C 13 32.724 0.1 . 1 . . . . . . . . 5484 1 4 . 1 1 2 2 LEU H H 1 8.498 0.02 . 1 . . . . . . . . 5484 1 5 . 1 1 2 2 LEU C C 13 175.368 0.05 . 1 . . . . . . . . 5484 1 6 . 1 1 2 2 LEU CA C 13 54.15 0.1 . 1 . . . . . . . . 5484 1 7 . 1 1 2 2 LEU CB C 13 42.142 0.1 . 1 . . . . . . . . 5484 1 8 . 1 1 2 2 LEU N N 15 128.646 0.1 . 1 . . . . . . . . 5484 1 9 . 1 1 3 3 ILE H H 1 9.378 0.02 . 1 . . . . . . . . 5484 1 10 . 1 1 3 3 ILE C C 13 175.456 0.05 . 1 . . . . . . . . 5484 1 11 . 1 1 3 3 ILE CA C 13 57.76 0.1 . 1 . . . . . . . . 5484 1 12 . 1 1 3 3 ILE CB C 13 37.655 0.1 . 1 . . . . . . . . 5484 1 13 . 1 1 3 3 ILE N N 15 129.769 0.1 . 1 . . . . . . . . 5484 1 14 . 1 1 4 4 THR H H 1 8.867 0.02 . 1 . . . . . . . . 5484 1 15 . 1 1 4 4 THR C C 13 174.198 0.05 . 1 . . . . . . . . 5484 1 16 . 1 1 4 4 THR CA C 13 60.45 0.1 . 1 . . . . . . . . 5484 1 17 . 1 1 4 4 THR CB C 13 70.181 0.1 . 1 . . . . . . . . 5484 1 18 . 1 1 4 4 THR N N 15 115.755 0.1 . 1 . . . . . . . . 5484 1 19 . 1 1 5 5 LYS H H 1 7.378 0.02 . 1 . . . . . . . . 5484 1 20 . 1 1 5 5 LYS C C 13 174.300 0.05 . 1 . . . . . . . . 5484 1 21 . 1 1 5 5 LYS CA C 13 54.986 0.1 . 1 . . . . . . . . 5484 1 22 . 1 1 5 5 LYS CB C 13 34.592 0.1 . 1 . . . . . . . . 5484 1 23 . 1 1 5 5 LYS N N 15 120.666 0.1 . 1 . . . . . . . . 5484 1 24 . 1 1 6 6 ILE H H 1 8.367 0.02 . 1 . . . . . . . . 5484 1 25 . 1 1 6 6 ILE C C 13 177.307 0.05 . 1 . . . . . . . . 5484 1 26 . 1 1 6 6 ILE CA C 13 60.458 0.1 . 1 . . . . . . . . 5484 1 27 . 1 1 6 6 ILE CB C 13 37.17 0.1 . 1 . . . . . . . . 5484 1 28 . 1 1 6 6 ILE N N 15 121.8 0.1 . 1 . . . . . . . . 5484 1 29 . 1 1 7 7 VAL H H 1 8.21 0.02 . 1 . . . . . . . . 5484 1 30 . 1 1 7 7 VAL C C 13 176.110 0.05 . 1 . . . . . . . . 5484 1 31 . 1 1 7 7 VAL CA C 13 62.418 0.1 . 1 . . . . . . . . 5484 1 32 . 1 1 7 7 VAL CB C 13 31.996 0.1 . 1 . . . . . . . . 5484 1 33 . 1 1 7 7 VAL N N 15 121.118 0.1 . 1 . . . . . . . . 5484 1 34 . 1 1 8 8 GLY H H 1 7.41 0.02 . 1 . . . . . . . . 5484 1 35 . 1 1 8 8 GLY C C 13 170.823 0.05 . 1 . . . . . . . . 5484 1 36 . 1 1 8 8 GLY CA C 13 45.091 0.1 . 1 . . . . . . . . 5484 1 37 . 1 1 8 8 GLY N N 15 107.409 0.1 . 1 . . . . . . . . 5484 1 38 . 1 1 9 9 HIS H H 1 8.908 0.02 . 1 . . . . . . . . 5484 1 39 . 1 1 9 9 HIS C C 13 175.800 0.05 . 1 . . . . . . . . 5484 1 40 . 1 1 9 9 HIS CA C 13 56.545 0.1 . 1 . . . . . . . . 5484 1 41 . 1 1 9 9 HIS CB C 13 32.52 0.1 . 1 . . . . . . . . 5484 1 42 . 1 1 9 9 HIS N N 15 123.529 0.1 . 1 . . . . . . . . 5484 1 43 . 1 1 10 10 ILE H H 1 8.439 0.02 . 1 . . . . . . . . 5484 1 44 . 1 1 10 10 ILE C C 13 176.385 0.05 . 1 . . . . . . . . 5484 1 45 . 1 1 10 10 ILE CA C 13 62.172 0.1 . 1 . . . . . . . . 5484 1 46 . 1 1 10 10 ILE CB C 13 37.82 0.1 . 1 . . . . . . . . 5484 1 47 . 1 1 10 10 ILE N N 15 127.39 0.1 . 1 . . . . . . . . 5484 1 48 . 1 1 11 11 ASP H H 1 9.463 0.02 . 1 . . . . . . . . 5484 1 49 . 1 1 11 11 ASP C C 13 177.683 0.05 . 1 . . . . . . . . 5484 1 50 . 1 1 11 11 ASP CA C 13 56.217 0.1 . 1 . . . . . . . . 5484 1 51 . 1 1 11 11 ASP CB C 13 39.99 0.1 . 1 . . . . . . . . 5484 1 52 . 1 1 11 11 ASP N N 15 125.715 0.1 . 1 . . . . . . . . 5484 1 53 . 1 1 12 12 ASP H H 1 8.281 0.02 . 1 . . . . . . . . 5484 1 54 . 1 1 12 12 ASP C C 13 176.575 0.05 . 1 . . . . . . . . 5484 1 55 . 1 1 12 12 ASP CA C 13 55.045 0.1 . 1 . . . . . . . . 5484 1 56 . 1 1 12 12 ASP CB C 13 40.254 0.1 . 1 . . . . . . . . 5484 1 57 . 1 1 12 12 ASP N N 15 118.86 0.1 . 1 . . . . . . . . 5484 1 58 . 1 1 13 13 TYR H H 1 7.83 0.02 . 1 . . . . . . . . 5484 1 59 . 1 1 13 13 TYR C C 13 176.333 0.05 . 1 . . . . . . . . 5484 1 60 . 1 1 13 13 TYR CA C 13 57.743 0.1 . 1 . . . . . . . . 5484 1 61 . 1 1 13 13 TYR CB C 13 37.94 0.1 . 1 . . . . . . . . 5484 1 62 . 1 1 13 13 TYR N N 15 119.677 0.1 . 1 . . . . . . . . 5484 1 63 . 1 1 14 14 GLU H H 1 7.727 0.02 . 1 . . . . . . . . 5484 1 64 . 1 1 14 14 GLU C C 13 177.197 0.05 . 1 . . . . . . . . 5484 1 65 . 1 1 14 14 GLU CA C 13 57.91 0.1 . 1 . . . . . . . . 5484 1 66 . 1 1 14 14 GLU CB C 13 29.183 0.1 . 1 . . . . . . . . 5484 1 67 . 1 1 14 14 GLU N N 15 123.113 0.1 . 1 . . . . . . . . 5484 1 68 . 1 1 15 15 SER H H 1 8.283 0.02 . 1 . . . . . . . . 5484 1 69 . 1 1 15 15 SER C C 13 174.423 0.05 . 1 . . . . . . . . 5484 1 70 . 1 1 15 15 SER CA C 13 57.964 0.1 . 1 . . . . . . . . 5484 1 71 . 1 1 15 15 SER CB C 13 63.207 0.1 . 1 . . . . . . . . 5484 1 72 . 1 1 15 15 SER N N 15 115.012 0.1 . 1 . . . . . . . . 5484 1 73 . 1 1 16 16 SER H H 1 7.806 0.02 . 1 . . . . . . . . 5484 1 74 . 1 1 16 16 SER C C 13 174.815 0.05 . 1 . . . . . . . . 5484 1 75 . 1 1 16 16 SER CA C 13 58.334 0.1 . 1 . . . . . . . . 5484 1 76 . 1 1 16 16 SER CB C 13 64.076 0.1 . 1 . . . . . . . . 5484 1 77 . 1 1 16 16 SER N N 15 117.137 0.1 . 1 . . . . . . . . 5484 1 78 . 1 1 17 17 ASP H H 1 8.376 0.02 . 1 . . . . . . . . 5484 1 79 . 1 1 17 17 ASP C C 13 176.138 0.05 . 1 . . . . . . . . 5484 1 80 . 1 1 17 17 ASP CA C 13 53.912 0.1 . 1 . . . . . . . . 5484 1 81 . 1 1 17 17 ASP CB C 13 40.571 0.1 . 1 . . . . . . . . 5484 1 82 . 1 1 17 17 ASP N N 15 124.167 0.1 . 1 . . . . . . . . 5484 1 83 . 1 1 18 18 LYS H H 1 7.707 0.02 . 1 . . . . . . . . 5484 1 84 . 1 1 18 18 LYS C C 13 175.732 0.05 . 1 . . . . . . . . 5484 1 85 . 1 1 18 18 LYS CA C 13 56.375 0.1 . 1 . . . . . . . . 5484 1 86 . 1 1 18 18 LYS CB C 13 32.946 0.1 . 1 . . . . . . . . 5484 1 87 . 1 1 18 18 LYS N N 15 120.424 0.1 . 1 . . . . . . . . 5484 1 88 . 1 1 19 19 LYS H H 1 7.81 0.02 . 1 . . . . . . . . 5484 1 89 . 1 1 19 19 LYS C C 13 175.183 0.05 . 1 . . . . . . . . 5484 1 90 . 1 1 19 19 LYS CA C 13 55.661 0.1 . 1 . . . . . . . . 5484 1 91 . 1 1 19 19 LYS CB C 13 32.3 0.1 . 1 . . . . . . . . 5484 1 92 . 1 1 19 19 LYS N N 15 123.245 0.1 . 1 . . . . . . . . 5484 1 93 . 1 1 20 20 VAL H H 1 8.031 0.02 . 1 . . . . . . . . 5484 1 94 . 1 1 20 20 VAL C C 13 175.042 0.05 . 1 . . . . . . . . 5484 1 95 . 1 1 20 20 VAL CA C 13 62.263 0.1 . 1 . . . . . . . . 5484 1 96 . 1 1 20 20 VAL CB C 13 32.18 0.1 . 1 . . . . . . . . 5484 1 97 . 1 1 20 20 VAL N N 15 124.017 0.1 . 1 . . . . . . . . 5484 1 98 . 1 1 21 21 ASP H H 1 8.825 0.02 . 1 . . . . . . . . 5484 1 99 . 1 1 21 21 ASP C C 13 174.578 0.05 . 1 . . . . . . . . 5484 1 100 . 1 1 21 21 ASP CA C 13 51.575 0.1 . 1 . . . . . . . . 5484 1 101 . 1 1 21 21 ASP CB C 13 41.176 0.1 . 1 . . . . . . . . 5484 1 102 . 1 1 21 21 ASP N N 15 130.876 0.1 . 1 . . . . . . . . 5484 1 103 . 1 1 22 22 TRP H H 1 7.792 0.02 . 1 . . . . . . . . 5484 1 104 . 1 1 22 22 TRP C C 13 175.582 0.05 . 1 . . . . . . . . 5484 1 105 . 1 1 22 22 TRP CA C 13 57.011 0.1 . 1 . . . . . . . . 5484 1 106 . 1 1 22 22 TRP CB C 13 30.384 0.1 . 1 . . . . . . . . 5484 1 107 . 1 1 22 22 TRP N N 15 123.431 0.1 . 1 . . . . . . . . 5484 1 108 . 1 1 23 23 LEU H H 1 9.294 0.02 . 1 . . . . . . . . 5484 1 109 . 1 1 23 23 LEU C C 13 174.476 0.05 . 1 . . . . . . . . 5484 1 110 . 1 1 23 23 LEU CA C 13 53.205 0.1 . 1 . . . . . . . . 5484 1 111 . 1 1 23 23 LEU CB C 13 42.398 0.1 . 1 . . . . . . . . 5484 1 112 . 1 1 23 23 LEU N N 15 125.71 0.1 . 1 . . . . . . . . 5484 1 113 . 1 1 24 24 GLU H H 1 8.984 0.02 . 1 . . . . . . . . 5484 1 114 . 1 1 24 24 GLU C C 13 176.172 0.05 . 1 . . . . . . . . 5484 1 115 . 1 1 24 24 GLU CA C 13 54.912 0.1 . 1 . . . . . . . . 5484 1 116 . 1 1 24 24 GLU CB C 13 30.12 0.1 . 1 . . . . . . . . 5484 1 117 . 1 1 24 24 GLU N N 15 127.043 0.1 . 1 . . . . . . . . 5484 1 118 . 1 1 25 25 VAL H H 1 8.359 0.02 . 1 . . . . . . . . 5484 1 119 . 1 1 25 25 VAL C C 13 175.422 0.05 . 1 . . . . . . . . 5484 1 120 . 1 1 25 25 VAL CA C 13 58.097 0.1 . 1 . . . . . . . . 5484 1 121 . 1 1 25 25 VAL CB C 13 32.707 0.1 . 1 . . . . . . . . 5484 1 122 . 1 1 25 25 VAL N N 15 117.672 0.1 . 1 . . . . . . . . 5484 1 123 . 1 1 26 26 GLU H H 1 8.783 0.02 . 1 . . . . . . . . 5484 1 124 . 1 1 26 26 GLU C C 13 179.017 0.05 . 1 . . . . . . . . 5484 1 125 . 1 1 26 26 GLU CA C 13 54.655 0.1 . 1 . . . . . . . . 5484 1 126 . 1 1 26 26 GLU CB C 13 29.408 0.1 . 1 . . . . . . . . 5484 1 127 . 1 1 26 26 GLU N N 15 119.245 0.1 . 1 . . . . . . . . 5484 1 128 . 1 1 27 27 TRP H H 1 9.836 0.02 . 1 . . . . . . . . 5484 1 129 . 1 1 27 27 TRP C C 13 179.597 0.05 . 1 . . . . . . . . 5484 1 130 . 1 1 27 27 TRP CA C 13 59.61 0.1 . 1 . . . . . . . . 5484 1 131 . 1 1 27 27 TRP CB C 13 29.36 0.1 . 1 . . . . . . . . 5484 1 132 . 1 1 27 27 TRP N N 15 126.02 0.1 . 1 . . . . . . . . 5484 1 133 . 1 1 28 28 GLU H H 1 9.78 0.02 . 1 . . . . . . . . 5484 1 134 . 1 1 28 28 GLU C C 13 178.059 0.05 . 1 . . . . . . . . 5484 1 135 . 1 1 28 28 GLU CA C 13 59.551 0.1 . 1 . . . . . . . . 5484 1 136 . 1 1 28 28 GLU CB C 13 28.376 0.1 . 1 . . . . . . . . 5484 1 137 . 1 1 28 28 GLU N N 15 116.81 0.1 . 1 . . . . . . . . 5484 1 138 . 1 1 29 29 ASP H H 1 7.814 0.02 . 1 . . . . . . . . 5484 1 139 . 1 1 29 29 ASP C C 13 177.466 0.05 . 1 . . . . . . . . 5484 1 140 . 1 1 29 29 ASP CA C 13 55.928 0.1 . 1 . . . . . . . . 5484 1 141 . 1 1 29 29 ASP CB C 13 40.379 0.1 . 1 . . . . . . . . 5484 1 142 . 1 1 29 29 ASP N N 15 118.593 0.1 . 1 . . . . . . . . 5484 1 143 . 1 1 30 30 LEU H H 1 7.297 0.02 . 1 . . . . . . . . 5484 1 144 . 1 1 30 30 LEU C C 13 177.169 0.05 . 1 . . . . . . . . 5484 1 145 . 1 1 30 30 LEU CA C 13 56.164 0.1 . 1 . . . . . . . . 5484 1 146 . 1 1 30 30 LEU CB C 13 39.461 0.1 . 1 . . . . . . . . 5484 1 147 . 1 1 30 30 LEU N N 15 115.812 0.1 . 1 . . . . . . . . 5484 1 148 . 1 1 31 31 ASN H H 1 7.641 0.02 . 1 . . . . . . . . 5484 1 149 . 1 1 31 31 ASN C C 13 175.314 0.05 . 1 . . . . . . . . 5484 1 150 . 1 1 31 31 ASN CA C 13 52.877 0.1 . 1 . . . . . . . . 5484 1 151 . 1 1 31 31 ASN CB C 13 39.184 0.1 . 1 . . . . . . . . 5484 1 152 . 1 1 31 31 ASN N N 15 114.233 0.1 . 1 . . . . . . . . 5484 1 153 . 1 1 32 32 LYS H H 1 7.397 0.02 . 1 . . . . . . . . 5484 1 154 . 1 1 32 32 LYS C C 13 175.700 0.05 . 1 . . . . . . . . 5484 1 155 . 1 1 32 32 LYS CA C 13 56.437 0.1 . 1 . . . . . . . . 5484 1 156 . 1 1 32 32 LYS CB C 13 34.102 0.1 . 1 . . . . . . . . 5484 1 157 . 1 1 32 32 LYS N N 15 119.902 0.1 . 1 . . . . . . . . 5484 1 158 . 1 1 33 33 ARG H H 1 8.411 0.02 . 1 . . . . . . . . 5484 1 159 . 1 1 33 33 ARG C C 13 174.690 0.05 . 1 . . . . . . . . 5484 1 160 . 1 1 33 33 ARG CA C 13 55.974 0.1 . 1 . . . . . . . . 5484 1 161 . 1 1 33 33 ARG CB C 13 30.977 0.1 . 1 . . . . . . . . 5484 1 162 . 1 1 33 33 ARG N N 15 117.184 0.1 . 1 . . . . . . . . 5484 1 163 . 1 1 34 34 ILE H H 1 7.014 0.02 . 1 . . . . . . . . 5484 1 164 . 1 1 34 34 ILE C C 13 175.296 0.05 . 1 . . . . . . . . 5484 1 165 . 1 1 34 34 ILE CA C 13 59.114 0.1 . 1 . . . . . . . . 5484 1 166 . 1 1 34 34 ILE CB C 13 40.138 0.1 . 1 . . . . . . . . 5484 1 167 . 1 1 34 34 ILE N N 15 118.285 0.1 . 1 . . . . . . . . 5484 1 168 . 1 1 35 35 LEU H H 1 8.264 0.02 . 1 . . . . . . . . 5484 1 169 . 1 1 35 35 LEU C C 13 174.323 0.05 . 1 . . . . . . . . 5484 1 170 . 1 1 35 35 LEU CA C 13 54.567 0.1 . 1 . . . . . . . . 5484 1 171 . 1 1 35 35 LEU CB C 13 45.588 0.1 . 1 . . . . . . . . 5484 1 172 . 1 1 35 35 LEU N N 15 126.353 0.1 . 1 . . . . . . . . 5484 1 173 . 1 1 36 36 ARG H H 1 8.338 0.02 . 1 . . . . . . . . 5484 1 174 . 1 1 36 36 ARG C C 13 174.883 0.05 . 1 . . . . . . . . 5484 1 175 . 1 1 36 36 ARG CA C 13 55.106 0.1 . 1 . . . . . . . . 5484 1 176 . 1 1 36 36 ARG CB C 13 31.33 0.1 . 1 . . . . . . . . 5484 1 177 . 1 1 36 36 ARG N N 15 125.822 0.1 . 1 . . . . . . . . 5484 1 178 . 1 1 37 37 LYS H H 1 8.819 0.02 . 1 . . . . . . . . 5484 1 179 . 1 1 37 37 LYS C C 13 173.113 0.05 . 1 . . . . . . . . 5484 1 180 . 1 1 37 37 LYS CA C 13 54.945 0.1 . 1 . . . . . . . . 5484 1 181 . 1 1 37 37 LYS CB C 13 36.442 0.1 . 1 . . . . . . . . 5484 1 182 . 1 1 37 37 LYS N N 15 127.54 0.1 . 1 . . . . . . . . 5484 1 183 . 1 1 38 38 GLU H H 1 7.825 0.02 . 1 . . . . . . . . 5484 1 184 . 1 1 38 38 GLU C C 13 178.225 0.05 . 1 . . . . . . . . 5484 1 185 . 1 1 38 38 GLU CA C 13 54.312 0.1 . 1 . . . . . . . . 5484 1 186 . 1 1 38 38 GLU CB C 13 31.484 0.1 . 1 . . . . . . . . 5484 1 187 . 1 1 38 38 GLU N N 15 120.056 0.1 . 1 . . . . . . . . 5484 1 188 . 1 1 39 39 THR H H 1 8.849 0.02 . 1 . . . . . . . . 5484 1 189 . 1 1 39 39 THR C C 13 176.882 0.05 . 1 . . . . . . . . 5484 1 190 . 1 1 39 39 THR CA C 13 61.26 0.1 . 1 . . . . . . . . 5484 1 191 . 1 1 39 39 THR CB C 13 69.658 0.1 . 1 . . . . . . . . 5484 1 192 . 1 1 39 39 THR N N 15 114.487 0.1 . 1 . . . . . . . . 5484 1 193 . 1 1 40 40 GLU H H 1 9.08 0.02 . 1 . . . . . . . . 5484 1 194 . 1 1 40 40 GLU C C 13 178.381 0.05 . 1 . . . . . . . . 5484 1 195 . 1 1 40 40 GLU CA C 13 59.097 0.1 . 1 . . . . . . . . 5484 1 196 . 1 1 40 40 GLU CB C 13 29.026 0.1 . 1 . . . . . . . . 5484 1 197 . 1 1 40 40 GLU N N 15 122.404 0.1 . 1 . . . . . . . . 5484 1 198 . 1 1 41 41 ASN H H 1 8.973 0.02 . 1 . . . . . . . . 5484 1 199 . 1 1 41 41 ASN C C 13 175.991 0.05 . 1 . . . . . . . . 5484 1 200 . 1 1 41 41 ASN CA C 13 52.937 0.1 . 1 . . . . . . . . 5484 1 201 . 1 1 41 41 ASN CB C 13 37.545 0.1 . 1 . . . . . . . . 5484 1 202 . 1 1 41 41 ASN N N 15 116.41 0.1 . 1 . . . . . . . . 5484 1 203 . 1 1 42 42 GLY H H 1 8.005 0.02 . 1 . . . . . . . . 5484 1 204 . 1 1 42 42 GLY C C 13 174.219 0.05 . 1 . . . . . . . . 5484 1 205 . 1 1 42 42 GLY CA C 13 45.176 0.1 . 1 . . . . . . . . 5484 1 206 . 1 1 42 42 GLY N N 15 109.708 0.1 . 1 . . . . . . . . 5484 1 207 . 1 1 43 43 THR H H 1 8.277 0.02 . 1 . . . . . . . . 5484 1 208 . 1 1 43 43 THR C C 13 173.544 0.05 . 1 . . . . . . . . 5484 1 209 . 1 1 43 43 THR CA C 13 62.846 0.1 . 1 . . . . . . . . 5484 1 210 . 1 1 43 43 THR CB C 13 67.868 0.1 . 1 . . . . . . . . 5484 1 211 . 1 1 43 43 THR N N 15 121.683 0.1 . 1 . . . . . . . . 5484 1 212 . 1 1 44 44 ASP H H 1 8.583 0.02 . 1 . . . . . . . . 5484 1 213 . 1 1 44 44 ASP C C 13 173.965 0.05 . 1 . . . . . . . . 5484 1 214 . 1 1 44 44 ASP CA C 13 54.663 0.1 . 1 . . . . . . . . 5484 1 215 . 1 1 44 44 ASP CB C 13 41.076 0.1 . 1 . . . . . . . . 5484 1 216 . 1 1 44 44 ASP N N 15 129.344 0.1 . 1 . . . . . . . . 5484 1 217 . 1 1 45 45 ILE H H 1 8.288 0.02 . 1 . . . . . . . . 5484 1 218 . 1 1 45 45 ILE C C 13 173.007 0.05 . 1 . . . . . . . . 5484 1 219 . 1 1 45 45 ILE CA C 13 57.909 0.1 . 1 . . . . . . . . 5484 1 220 . 1 1 45 45 ILE CB C 13 37.401 0.1 . 1 . . . . . . . . 5484 1 221 . 1 1 45 45 ILE N N 15 128.56 0.1 . 1 . . . . . . . . 5484 1 222 . 1 1 46 46 ALA H H 1 8.279 0.02 . 1 . . . . . . . . 5484 1 223 . 1 1 46 46 ALA C C 13 175.143 0.05 . 1 . . . . . . . . 5484 1 224 . 1 1 46 46 ALA CA C 13 49.775 0.1 . 1 . . . . . . . . 5484 1 225 . 1 1 46 46 ALA CB C 13 19.409 0.1 . 1 . . . . . . . . 5484 1 226 . 1 1 46 46 ALA N N 15 130.261 0.1 . 1 . . . . . . . . 5484 1 227 . 1 1 47 47 ILE H H 1 9.089 0.02 . 1 . . . . . . . . 5484 1 228 . 1 1 47 47 ILE C C 13 175.872 0.05 . 1 . . . . . . . . 5484 1 229 . 1 1 47 47 ILE CA C 13 60.142 0.1 . 1 . . . . . . . . 5484 1 230 . 1 1 47 47 ILE CB C 13 39.254 0.1 . 1 . . . . . . . . 5484 1 231 . 1 1 47 47 ILE N N 15 123.732 0.1 . 1 . . . . . . . . 5484 1 232 . 1 1 48 48 LYS H H 1 8.386 0.02 . 1 . . . . . . . . 5484 1 233 . 1 1 48 48 LYS C C 13 174.954 0.05 . 1 . . . . . . . . 5484 1 234 . 1 1 48 48 LYS CA C 13 55.291 0.1 . 1 . . . . . . . . 5484 1 235 . 1 1 48 48 LYS CB C 13 33.017 0.1 . 1 . . . . . . . . 5484 1 236 . 1 1 48 48 LYS N N 15 130.069 0.1 . 1 . . . . . . . . 5484 1 237 . 1 1 49 49 LEU H H 1 8.476 0.02 . 1 . . . . . . . . 5484 1 238 . 1 1 49 49 LEU C C 13 178.218 0.05 . 1 . . . . . . . . 5484 1 239 . 1 1 49 49 LEU CA C 13 54.736 0.1 . 1 . . . . . . . . 5484 1 240 . 1 1 49 49 LEU CB C 13 41.295 0.1 . 1 . . . . . . . . 5484 1 241 . 1 1 49 49 LEU N N 15 124.177 0.1 . 1 . . . . . . . . 5484 1 242 . 1 1 50 50 GLU H H 1 8.447 0.02 . 1 . . . . . . . . 5484 1 243 . 1 1 50 50 GLU C C 13 176.200 0.05 . 1 . . . . . . . . 5484 1 244 . 1 1 50 50 GLU CA C 13 56.332 0.1 . 1 . . . . . . . . 5484 1 245 . 1 1 50 50 GLU CB C 13 30.083 0.1 . 1 . . . . . . . . 5484 1 246 . 1 1 50 50 GLU N N 15 121.635 0.1 . 1 . . . . . . . . 5484 1 247 . 1 1 51 51 ASN H H 1 8.411 0.02 . 1 . . . . . . . . 5484 1 248 . 1 1 51 51 ASN C C 13 176.150 0.05 . 1 . . . . . . . . 5484 1 249 . 1 1 51 51 ASN CA C 13 53.265 0.1 . 1 . . . . . . . . 5484 1 250 . 1 1 51 51 ASN CB C 13 38.985 0.1 . 1 . . . . . . . . 5484 1 251 . 1 1 51 51 ASN N N 15 117.947 0.1 . 1 . . . . . . . . 5484 1 252 . 1 1 52 52 SER H H 1 8.248 0.02 . 1 . . . . . . . . 5484 1 253 . 1 1 52 52 SER C C 13 174.990 0.05 . 1 . . . . . . . . 5484 1 254 . 1 1 52 52 SER CA C 13 57.885 0.1 . 1 . . . . . . . . 5484 1 255 . 1 1 52 52 SER CB C 13 64.457 0.1 . 1 . . . . . . . . 5484 1 256 . 1 1 52 52 SER N N 15 121.21 0.1 . 1 . . . . . . . . 5484 1 257 . 1 1 53 53 GLY H H 1 8.163 0.02 . 1 . . . . . . . . 5484 1 258 . 1 1 53 53 GLY C C 13 172.856 0.05 . 1 . . . . . . . . 5484 1 259 . 1 1 53 53 GLY CA C 13 44.89 0.1 . 1 . . . . . . . . 5484 1 260 . 1 1 53 53 GLY N N 15 111.664 0.1 . 1 . . . . . . . . 5484 1 261 . 1 1 54 54 THR H H 1 7.612 0.02 . 1 . . . . . . . . 5484 1 262 . 1 1 54 54 THR C C 13 173.962 0.05 . 1 . . . . . . . . 5484 1 263 . 1 1 54 54 THR CA C 13 60.19 0.1 . 1 . . . . . . . . 5484 1 264 . 1 1 54 54 THR CB C 13 70.722 0.1 . 1 . . . . . . . . 5484 1 265 . 1 1 54 54 THR N N 15 111.43 0.1 . 1 . . . . . . . . 5484 1 266 . 1 1 55 55 LEU H H 1 8.054 0.02 . 1 . . . . . . . . 5484 1 267 . 1 1 55 55 LEU C C 13 175.546 0.05 . 1 . . . . . . . . 5484 1 268 . 1 1 55 55 LEU CA C 13 55.058 0.1 . 1 . . . . . . . . 5484 1 269 . 1 1 55 55 LEU CB C 13 43.25 0.1 . 1 . . . . . . . . 5484 1 270 . 1 1 55 55 LEU N N 15 122.697 0.1 . 1 . . . . . . . . 5484 1 271 . 1 1 56 56 ARG H H 1 8.813 0.02 . 1 . . . . . . . . 5484 1 272 . 1 1 56 56 ARG C C 13 175.321 0.05 . 1 . . . . . . . . 5484 1 273 . 1 1 56 56 ARG CA C 13 53.756 0.1 . 1 . . . . . . . . 5484 1 274 . 1 1 56 56 ARG CB C 13 32.171 0.1 . 1 . . . . . . . . 5484 1 275 . 1 1 56 56 ARG N N 15 121.694 0.1 . 1 . . . . . . . . 5484 1 276 . 1 1 57 57 TYR H H 1 8.698 0.02 . 1 . . . . . . . . 5484 1 277 . 1 1 57 57 TYR C C 13 177.393 0.05 . 1 . . . . . . . . 5484 1 278 . 1 1 57 57 TYR CA C 13 60.459 0.1 . 1 . . . . . . . . 5484 1 279 . 1 1 57 57 TYR CB C 13 38.731 0.1 . 1 . . . . . . . . 5484 1 280 . 1 1 57 57 TYR N N 15 121.814 0.1 . 1 . . . . . . . . 5484 1 281 . 1 1 58 58 GLY H H 1 8.876 0.02 . 1 . . . . . . . . 5484 1 282 . 1 1 58 58 GLY C C 13 172.820 0.05 . 1 . . . . . . . . 5484 1 283 . 1 1 58 58 GLY CA C 13 44.87 0.1 . 1 . . . . . . . . 5484 1 284 . 1 1 58 58 GLY N N 15 120.173 0.1 . 1 . . . . . . . . 5484 1 285 . 1 1 59 59 ASP H H 1 7.976 0.02 . 1 . . . . . . . . 5484 1 286 . 1 1 59 59 ASP C C 13 175.658 0.05 . 1 . . . . . . . . 5484 1 287 . 1 1 59 59 ASP CA C 13 56.269 0.1 . 1 . . . . . . . . 5484 1 288 . 1 1 59 59 ASP CB C 13 41.03 0.1 . 1 . . . . . . . . 5484 1 289 . 1 1 59 59 ASP N N 15 122.865 0.1 . 1 . . . . . . . . 5484 1 290 . 1 1 60 60 VAL H H 1 8.495 0.02 . 1 . . . . . . . . 5484 1 291 . 1 1 60 60 VAL C C 13 175.503 0.05 . 1 . . . . . . . . 5484 1 292 . 1 1 60 60 VAL CA C 13 61.653 0.1 . 1 . . . . . . . . 5484 1 293 . 1 1 60 60 VAL CB C 13 31.541 0.1 . 1 . . . . . . . . 5484 1 294 . 1 1 60 60 VAL N N 15 120.908 0.1 . 1 . . . . . . . . 5484 1 295 . 1 1 61 61 LEU H H 1 8.923 0.02 . 1 . . . . . . . . 5484 1 296 . 1 1 61 61 LEU C C 13 174.821 0.05 . 1 . . . . . . . . 5484 1 297 . 1 1 61 61 LEU CA C 13 54.398 0.1 . 1 . . . . . . . . 5484 1 298 . 1 1 61 61 LEU CB C 13 42.112 0.1 . 1 . . . . . . . . 5484 1 299 . 1 1 61 61 LEU N N 15 125.938 0.1 . 1 . . . . . . . . 5484 1 300 . 1 1 62 62 TYR H H 1 7.197 0.02 . 1 . . . . . . . . 5484 1 301 . 1 1 62 62 TYR C C 13 171.581 0.05 . 1 . . . . . . . . 5484 1 302 . 1 1 62 62 TYR CA C 13 57.434 0.1 . 1 . . . . . . . . 5484 1 303 . 1 1 62 62 TYR CB C 13 41.83 0.1 . 1 . . . . . . . . 5484 1 304 . 1 1 62 62 TYR N N 15 116.597 0.1 . 1 . . . . . . . . 5484 1 305 . 1 1 63 63 GLU H H 1 7.721 0.02 . 1 . . . . . . . . 5484 1 306 . 1 1 63 63 GLU C C 13 173.398 0.05 . 1 . . . . . . . . 5484 1 307 . 1 1 63 63 GLU CA C 13 54.348 0.1 . 1 . . . . . . . . 5484 1 308 . 1 1 63 63 GLU CB C 13 31.541 0.1 . 1 . . . . . . . . 5484 1 309 . 1 1 63 63 GLU N N 15 128.44 0.1 . 1 . . . . . . . . 5484 1 310 . 1 1 64 64 SER H H 1 8.702 0.02 . 1 . . . . . . . . 5484 1 311 . 1 1 64 64 SER C C 13 174.119 0.05 . 1 . . . . . . . . 5484 1 312 . 1 1 64 64 SER CA C 13 55.54 0.1 . 1 . . . . . . . . 5484 1 313 . 1 1 64 64 SER CB C 13 65.376 0.1 . 1 . . . . . . . . 5484 1 314 . 1 1 64 64 SER N N 15 122.933 0.1 . 1 . . . . . . . . 5484 1 315 . 1 1 65 65 ASP C C 13 176.554 0.05 . 1 . . . . . . . . 5484 1 316 . 1 1 65 65 ASP CA C 13 57.249 0.1 . 1 . . . . . . . . 5484 1 317 . 1 1 65 65 ASP CB C 13 39.912 0.1 . 1 . . . . . . . . 5484 1 318 . 1 1 66 66 ASP H H 1 7.928 0.02 . 1 . . . . . . . . 5484 1 319 . 1 1 66 66 ASP C C 13 176.036 0.05 . 1 . . . . . . . . 5484 1 320 . 1 1 66 66 ASP CA C 13 53.359 0.1 . 1 . . . . . . . . 5484 1 321 . 1 1 66 66 ASP CB C 13 42.667 0.1 . 1 . . . . . . . . 5484 1 322 . 1 1 66 66 ASP N N 15 114.086 0.1 . 1 . . . . . . . . 5484 1 323 . 1 1 67 67 THR H H 1 7.373 0.02 . 1 . . . . . . . . 5484 1 324 . 1 1 67 67 THR C C 13 171.431 0.05 . 1 . . . . . . . . 5484 1 325 . 1 1 67 67 THR CA C 13 61.713 0.1 . 1 . . . . . . . . 5484 1 326 . 1 1 67 67 THR CB C 13 72.19 0.1 . 1 . . . . . . . . 5484 1 327 . 1 1 67 67 THR N N 15 116.78 0.1 . 1 . . . . . . . . 5484 1 328 . 1 1 68 68 LEU H H 1 8.517 0.02 . 1 . . . . . . . . 5484 1 329 . 1 1 68 68 LEU C C 13 175.386 0.05 . 1 . . . . . . . . 5484 1 330 . 1 1 68 68 LEU CA C 13 53.015 0.1 . 1 . . . . . . . . 5484 1 331 . 1 1 68 68 LEU CB C 13 44.464 0.1 . 1 . . . . . . . . 5484 1 332 . 1 1 68 68 LEU N N 15 124.797 0.1 . 1 . . . . . . . . 5484 1 333 . 1 1 69 69 ILE H H 1 8.402 0.02 . 1 . . . . . . . . 5484 1 334 . 1 1 69 69 ILE C C 13 174.855 0.05 . 1 . . . . . . . . 5484 1 335 . 1 1 69 69 ILE CA C 13 60.304 0.1 . 1 . . . . . . . . 5484 1 336 . 1 1 69 69 ILE CB C 13 38.906 0.1 . 1 . . . . . . . . 5484 1 337 . 1 1 69 69 ILE N N 15 121.83 0.1 . 1 . . . . . . . . 5484 1 338 . 1 1 70 70 ALA H H 1 7.337 0.02 . 1 . . . . . . . . 5484 1 339 . 1 1 70 70 ALA C C 13 174.288 0.05 . 1 . . . . . . . . 5484 1 340 . 1 1 70 70 ALA CA C 13 48.962 0.1 . 1 . . . . . . . . 5484 1 341 . 1 1 70 70 ALA CB C 13 22.73 0.1 . 1 . . . . . . . . 5484 1 342 . 1 1 70 70 ALA N N 15 130.524 0.1 . 1 . . . . . . . . 5484 1 343 . 1 1 71 71 ILE H H 1 8.419 0.02 . 1 . . . . . . . . 5484 1 344 . 1 1 71 71 ILE C C 13 174.230 0.05 . 1 . . . . . . . . 5484 1 345 . 1 1 71 71 ILE CA C 13 58.747 0.1 . 1 . . . . . . . . 5484 1 346 . 1 1 71 71 ILE CB C 13 40.259 0.1 . 1 . . . . . . . . 5484 1 347 . 1 1 71 71 ILE N N 15 119.295 0.1 . 1 . . . . . . . . 5484 1 348 . 1 1 72 72 ARG H H 1 8.806 0.02 . 1 . . . . . . . . 5484 1 349 . 1 1 72 72 ARG C C 13 173.391 0.05 . 1 . . . . . . . . 5484 1 350 . 1 1 72 72 ARG CA C 13 54.126 0.1 . 1 . . . . . . . . 5484 1 351 . 1 1 72 72 ARG CB C 13 31.798 0.1 . 1 . . . . . . . . 5484 1 352 . 1 1 72 72 ARG N N 15 121.67 0.1 . 1 . . . . . . . . 5484 1 353 . 1 1 73 73 THR H H 1 6.657 0.02 . 1 . . . . . . . . 5484 1 354 . 1 1 73 73 THR C C 13 175.120 0.05 . 1 . . . . . . . . 5484 1 355 . 1 1 73 73 THR CA C 13 58.653 0.1 . 1 . . . . . . . . 5484 1 356 . 1 1 73 73 THR CB C 13 69.947 0.1 . 1 . . . . . . . . 5484 1 357 . 1 1 73 73 THR N N 15 108.535 0.1 . 1 . . . . . . . . 5484 1 358 . 1 1 74 74 LYS H H 1 7.52 0.02 . 1 . . . . . . . . 5484 1 359 . 1 1 74 74 LYS C C 13 174.786 0.05 . 1 . . . . . . . . 5484 1 360 . 1 1 74 74 LYS CA C 13 55.629 0.1 . 1 . . . . . . . . 5484 1 361 . 1 1 74 74 LYS CB C 13 33.103 0.1 . 1 . . . . . . . . 5484 1 362 . 1 1 74 74 LYS N N 15 118.75 0.1 . 1 . . . . . . . . 5484 1 363 . 1 1 75 75 LEU H H 1 8.183 0.02 . 1 . . . . . . . . 5484 1 364 . 1 1 75 75 LEU C C 13 176.212 0.05 . 1 . . . . . . . . 5484 1 365 . 1 1 75 75 LEU CA C 13 55.264 0.1 . 1 . . . . . . . . 5484 1 366 . 1 1 75 75 LEU CB C 13 41.539 0.1 . 1 . . . . . . . . 5484 1 367 . 1 1 75 75 LEU N N 15 123.331 0.1 . 1 . . . . . . . . 5484 1 368 . 1 1 76 76 GLU H H 1 8.461 0.02 . 1 . . . . . . . . 5484 1 369 . 1 1 76 76 GLU C C 13 174.659 0.05 . 1 . . . . . . . . 5484 1 370 . 1 1 76 76 GLU CA C 13 54.576 0.1 . 1 . . . . . . . . 5484 1 371 . 1 1 76 76 GLU CB C 13 33.229 0.1 . 1 . . . . . . . . 5484 1 372 . 1 1 76 76 GLU N N 15 126.16 0.1 . 1 . . . . . . . . 5484 1 373 . 1 1 77 77 LYS H H 1 8.368 0.02 . 1 . . . . . . . . 5484 1 374 . 1 1 77 77 LYS C C 13 177.462 0.05 . 1 . . . . . . . . 5484 1 375 . 1 1 77 77 LYS CA C 13 56.81 0.1 . 1 . . . . . . . . 5484 1 376 . 1 1 77 77 LYS CB C 13 32.062 0.1 . 1 . . . . . . . . 5484 1 377 . 1 1 77 77 LYS N N 15 121.289 0.1 . 1 . . . . . . . . 5484 1 378 . 1 1 78 78 VAL H H 1 8.572 0.02 . 1 . . . . . . . . 5484 1 379 . 1 1 78 78 VAL C C 13 177.123 0.05 . 1 . . . . . . . . 5484 1 380 . 1 1 78 78 VAL CA C 13 59.173 0.1 . 1 . . . . . . . . 5484 1 381 . 1 1 78 78 VAL CB C 13 35.082 0.1 . 1 . . . . . . . . 5484 1 382 . 1 1 78 78 VAL N N 15 119.088 0.1 . 1 . . . . . . . . 5484 1 383 . 1 1 79 79 TYR H H 1 8.665 0.02 . 1 . . . . . . . . 5484 1 384 . 1 1 79 79 TYR C C 13 174.687 0.05 . 1 . . . . . . . . 5484 1 385 . 1 1 79 79 TYR CA C 13 57.392 0.1 . 1 . . . . . . . . 5484 1 386 . 1 1 79 79 TYR CB C 13 39.392 0.1 . 1 . . . . . . . . 5484 1 387 . 1 1 79 79 TYR N N 15 116.897 0.1 . 1 . . . . . . . . 5484 1 388 . 1 1 80 80 VAL H H 1 8.938 0.02 . 1 . . . . . . . . 5484 1 389 . 1 1 80 80 VAL C C 13 175.721 0.05 . 1 . . . . . . . . 5484 1 390 . 1 1 80 80 VAL CA C 13 61.023 0.1 . 1 . . . . . . . . 5484 1 391 . 1 1 80 80 VAL CB C 13 31.102 0.1 . 1 . . . . . . . . 5484 1 392 . 1 1 80 80 VAL N N 15 122.247 0.1 . 1 . . . . . . . . 5484 1 393 . 1 1 81 81 ILE H H 1 9.434 0.02 . 1 . . . . . . . . 5484 1 394 . 1 1 81 81 ILE C C 13 175.882 0.05 . 1 . . . . . . . . 5484 1 395 . 1 1 81 81 ILE CA C 13 61.166 0.1 . 1 . . . . . . . . 5484 1 396 . 1 1 81 81 ILE CB C 13 38.178 0.1 . 1 . . . . . . . . 5484 1 397 . 1 1 81 81 ILE N N 15 129.563 0.1 . 1 . . . . . . . . 5484 1 398 . 1 1 82 82 LYS H H 1 8.457 0.02 . 1 . . . . . . . . 5484 1 399 . 1 1 82 82 LYS C C 13 173.283 0.05 . 1 . . . . . . . . 5484 1 400 . 1 1 82 82 LYS CA C 13 53.639 0.1 . 1 . . . . . . . . 5484 1 401 . 1 1 82 82 LYS CB C 13 32.17 0.1 . 1 . . . . . . . . 5484 1 402 . 1 1 82 82 LYS N N 15 127.224 0.1 . 1 . . . . . . . . 5484 1 403 . 1 1 83 83 PRO C C 13 176.374 0.05 . 1 . . . . . . . . 5484 1 404 . 1 1 83 83 PRO CA C 13 62.19 0.1 . 1 . . . . . . . . 5484 1 405 . 1 1 83 83 PRO CB C 13 32.062 0.1 . 1 . . . . . . . . 5484 1 406 . 1 1 84 84 GLN H H 1 9.433 0.02 . 1 . . . . . . . . 5484 1 407 . 1 1 84 84 GLN C C 13 176.045 0.05 . 1 . . . . . . . . 5484 1 408 . 1 1 84 84 GLN CA C 13 55.741 0.1 . 1 . . . . . . . . 5484 1 409 . 1 1 84 84 GLN CB C 13 30.29 0.1 . 1 . . . . . . . . 5484 1 410 . 1 1 84 84 GLN N N 15 120.205 0.1 . 1 . . . . . . . . 5484 1 411 . 1 1 85 85 THR H H 1 7.161 0.02 . 1 . . . . . . . . 5484 1 412 . 1 1 85 85 THR C C 13 174.731 0.05 . 1 . . . . . . . . 5484 1 413 . 1 1 85 85 THR CA C 13 57.907 0.1 . 1 . . . . . . . . 5484 1 414 . 1 1 85 85 THR CB C 13 72.198 0.1 . 1 . . . . . . . . 5484 1 415 . 1 1 85 85 THR N N 15 107.145 0.1 . 1 . . . . . . . . 5484 1 416 . 1 1 86 86 MET H H 1 9.001 0.02 . 1 . . . . . . . . 5484 1 417 . 1 1 86 86 MET C C 13 178.116 0.05 . 1 . . . . . . . . 5484 1 418 . 1 1 86 86 MET CA C 13 58.308 0.1 . 1 . . . . . . . . 5484 1 419 . 1 1 86 86 MET CB C 13 33.28 0.1 . 1 . . . . . . . . 5484 1 420 . 1 1 86 86 MET N N 15 123.086 0.1 . 1 . . . . . . . . 5484 1 421 . 1 1 87 87 GLN H H 1 8.568 0.02 . 1 . . . . . . . . 5484 1 422 . 1 1 87 87 GLN C C 13 178.033 0.05 . 1 . . . . . . . . 5484 1 423 . 1 1 87 87 GLN CA C 13 59.102 0.1 . 1 . . . . . . . . 5484 1 424 . 1 1 87 87 GLN CB C 13 28.458 0.1 . 1 . . . . . . . . 5484 1 425 . 1 1 87 87 GLN N N 15 120.659 0.1 . 1 . . . . . . . . 5484 1 426 . 1 1 88 88 GLU H H 1 7.79 0.02 . 1 . . . . . . . . 5484 1 427 . 1 1 88 88 GLU C C 13 178.000 0.05 . 1 . . . . . . . . 5484 1 428 . 1 1 88 88 GLU CA C 13 59.36 0.1 . 1 . . . . . . . . 5484 1 429 . 1 1 88 88 GLU CB C 13 30.58 0.1 . 1 . . . . . . . . 5484 1 430 . 1 1 88 88 GLU N N 15 119.12 0.1 . 1 . . . . . . . . 5484 1 431 . 1 1 89 89 MET H H 1 7.861 0.02 . 1 . . . . . . . . 5484 1 432 . 1 1 89 89 MET C C 13 177.426 0.05 . 1 . . . . . . . . 5484 1 433 . 1 1 89 89 MET CA C 13 57.844 0.1 . 1 . . . . . . . . 5484 1 434 . 1 1 89 89 MET CB C 13 31.112 0.1 . 1 . . . . . . . . 5484 1 435 . 1 1 89 89 MET N N 15 118.25 0.1 . 1 . . . . . . . . 5484 1 436 . 1 1 90 90 GLY H H 1 8.485 0.02 . 1 . . . . . . . . 5484 1 437 . 1 1 90 90 GLY C C 13 174.819 0.05 . 1 . . . . . . . . 5484 1 438 . 1 1 90 90 GLY CA C 13 47.259 0.1 . 1 . . . . . . . . 5484 1 439 . 1 1 90 90 GLY N N 15 105.925 0.1 . 1 . . . . . . . . 5484 1 440 . 1 1 91 91 LYS H H 1 8.666 0.02 . 1 . . . . . . . . 5484 1 441 . 1 1 91 91 LYS C C 13 179.124 0.05 . 1 . . . . . . . . 5484 1 442 . 1 1 91 91 LYS CA C 13 60.078 0.1 . 1 . . . . . . . . 5484 1 443 . 1 1 91 91 LYS CB C 13 32.029 0.1 . 1 . . . . . . . . 5484 1 444 . 1 1 91 91 LYS N N 15 121.444 0.1 . 1 . . . . . . . . 5484 1 445 . 1 1 92 92 MET H H 1 8.197 0.02 . 1 . . . . . . . . 5484 1 446 . 1 1 92 92 MET C C 13 178.237 0.05 . 1 . . . . . . . . 5484 1 447 . 1 1 92 92 MET CA C 13 56.763 0.1 . 1 . . . . . . . . 5484 1 448 . 1 1 92 92 MET CB C 13 34.535 0.1 . 1 . . . . . . . . 5484 1 449 . 1 1 92 92 MET N N 15 117.199 0.1 . 1 . . . . . . . . 5484 1 450 . 1 1 93 93 ALA H H 1 8.477 0.02 . 1 . . . . . . . . 5484 1 451 . 1 1 93 93 ALA C C 13 179.770 0.05 . 1 . . . . . . . . 5484 1 452 . 1 1 93 93 ALA CA C 13 56.329 0.1 . 1 . . . . . . . . 5484 1 453 . 1 1 93 93 ALA CB C 13 19.45 0.1 . 1 . . . . . . . . 5484 1 454 . 1 1 93 93 ALA N N 15 121.3 0.1 . 1 . . . . . . . . 5484 1 455 . 1 1 94 94 PHE H H 1 8.599 0.02 . 1 . . . . . . . . 5484 1 456 . 1 1 94 94 PHE C C 13 179.500 0.05 . 1 . . . . . . . . 5484 1 457 . 1 1 94 94 PHE CA C 13 61.179 0.1 . 1 . . . . . . . . 5484 1 458 . 1 1 94 94 PHE CB C 13 39.157 0.1 . 1 . . . . . . . . 5484 1 459 . 1 1 94 94 PHE N N 15 118.603 0.1 . 1 . . . . . . . . 5484 1 460 . 1 1 95 95 GLU H H 1 7.824 0.02 . 1 . . . . . . . . 5484 1 461 . 1 1 95 95 GLU C C 13 180.238 0.05 . 1 . . . . . . . . 5484 1 462 . 1 1 95 95 GLU CA C 13 57.977 0.1 . 1 . . . . . . . . 5484 1 463 . 1 1 95 95 GLU CB C 13 28.32 0.1 . 1 . . . . . . . . 5484 1 464 . 1 1 95 95 GLU N N 15 118.19 0.1 . 1 . . . . . . . . 5484 1 465 . 1 1 96 96 ILE H H 1 7.986 0.02 . 1 . . . . . . . . 5484 1 466 . 1 1 96 96 ILE C C 13 178.334 0.05 . 1 . . . . . . . . 5484 1 467 . 1 1 96 96 ILE CA C 13 65.029 0.1 . 1 . . . . . . . . 5484 1 468 . 1 1 96 96 ILE CB C 13 37.095 0.1 . 1 . . . . . . . . 5484 1 469 . 1 1 96 96 ILE N N 15 120.433 0.1 . 1 . . . . . . . . 5484 1 470 . 1 1 97 97 GLY H H 1 8.503 0.02 . 1 . . . . . . . . 5484 1 471 . 1 1 97 97 GLY C C 13 176.370 0.05 . 1 . . . . . . . . 5484 1 472 . 1 1 97 97 GLY CA C 13 47.512 0.1 . 1 . . . . . . . . 5484 1 473 . 1 1 97 97 GLY N N 15 109.733 0.1 . 1 . . . . . . . . 5484 1 474 . 1 1 98 98 ASN H H 1 8.121 0.02 . 1 . . . . . . . . 5484 1 475 . 1 1 98 98 ASN C C 13 175.803 0.05 . 1 . . . . . . . . 5484 1 476 . 1 1 98 98 ASN CA C 13 55.163 0.1 . 1 . . . . . . . . 5484 1 477 . 1 1 98 98 ASN CB C 13 38.679 0.1 . 1 . . . . . . . . 5484 1 478 . 1 1 98 98 ASN N N 15 120.756 0.1 . 1 . . . . . . . . 5484 1 479 . 1 1 99 99 ARG H H 1 6.893 0.02 . 1 . . . . . . . . 5484 1 480 . 1 1 99 99 ARG C C 13 175.710 0.05 . 1 . . . . . . . . 5484 1 481 . 1 1 99 99 ARG CA C 13 54.839 0.1 . 1 . . . . . . . . 5484 1 482 . 1 1 99 99 ARG CB C 13 29.574 0.1 . 1 . . . . . . . . 5484 1 483 . 1 1 99 99 ARG N N 15 116.267 0.1 . 1 . . . . . . . . 5484 1 484 . 1 1 100 100 HIS H H 1 7.993 0.02 . 1 . . . . . . . . 5484 1 485 . 1 1 100 100 HIS C C 13 173.990 0.05 . 1 . . . . . . . . 5484 1 486 . 1 1 100 100 HIS CA C 13 55.424 0.1 . 1 . . . . . . . . 5484 1 487 . 1 1 100 100 HIS CB C 13 25.784 0.1 . 1 . . . . . . . . 5484 1 488 . 1 1 100 100 HIS N N 15 116.772 0.1 . 1 . . . . . . . . 5484 1 489 . 1 1 101 101 THR H H 1 7.44 0.02 . 1 . . . . . . . . 5484 1 490 . 1 1 101 101 THR C C 13 172.755 0.05 . 1 . . . . . . . . 5484 1 491 . 1 1 101 101 THR CA C 13 62.392 0.1 . 1 . . . . . . . . 5484 1 492 . 1 1 101 101 THR CB C 13 70.353 0.1 . 1 . . . . . . . . 5484 1 493 . 1 1 101 101 THR N N 15 117.725 0.1 . 1 . . . . . . . . 5484 1 494 . 1 1 102 102 MET H H 1 8.169 0.02 . 1 . . . . . . . . 5484 1 495 . 1 1 102 102 MET C C 13 175.328 0.05 . 1 . . . . . . . . 5484 1 496 . 1 1 102 102 MET CA C 13 56.088 0.1 . 1 . . . . . . . . 5484 1 497 . 1 1 102 102 MET CB C 13 32.617 0.1 . 1 . . . . . . . . 5484 1 498 . 1 1 102 102 MET N N 15 124.546 0.1 . 1 . . . . . . . . 5484 1 499 . 1 1 103 103 CYS H H 1 7.094 0.02 . 1 . . . . . . . . 5484 1 500 . 1 1 103 103 CYS C C 13 172.100 0.05 . 1 . . . . . . . . 5484 1 501 . 1 1 103 103 CYS CA C 13 55.345 0.1 . 1 . . . . . . . . 5484 1 502 . 1 1 103 103 CYS CB C 13 31.6 0.1 . 1 . . . . . . . . 5484 1 503 . 1 1 103 103 CYS N N 15 115.171 0.1 . 1 . . . . . . . . 5484 1 504 . 1 1 104 104 ILE H H 1 8.426 0.02 . 1 . . . . . . . . 5484 1 505 . 1 1 104 104 ILE C C 13 174.405 0.05 . 1 . . . . . . . . 5484 1 506 . 1 1 104 104 ILE CA C 13 59.387 0.1 . 1 . . . . . . . . 5484 1 507 . 1 1 104 104 ILE CB C 13 40.259 0.1 . 1 . . . . . . . . 5484 1 508 . 1 1 104 104 ILE N N 15 119.896 0.1 . 1 . . . . . . . . 5484 1 509 . 1 1 105 105 ILE H H 1 8.485 0.02 . 1 . . . . . . . . 5484 1 510 . 1 1 105 105 ILE C C 13 175.171 0.05 . 1 . . . . . . . . 5484 1 511 . 1 1 105 105 ILE CA C 13 60.158 0.1 . 1 . . . . . . . . 5484 1 512 . 1 1 105 105 ILE CB C 13 37.294 0.1 . 1 . . . . . . . . 5484 1 513 . 1 1 105 105 ILE N N 15 128.016 0.1 . 1 . . . . . . . . 5484 1 514 . 1 1 106 106 GLU H H 1 8.395 0.02 . 1 . . . . . . . . 5484 1 515 . 1 1 106 106 GLU C C 13 174.837 0.05 . 1 . . . . . . . . 5484 1 516 . 1 1 106 106 GLU CA C 13 54.69 0.1 . 1 . . . . . . . . 5484 1 517 . 1 1 106 106 GLU CB C 13 31.129 0.1 . 1 . . . . . . . . 5484 1 518 . 1 1 106 106 GLU N N 15 129.243 0.1 . 1 . . . . . . . . 5484 1 519 . 1 1 107 107 ASP H H 1 8.737 0.02 . 1 . . . . . . . . 5484 1 520 . 1 1 107 107 ASP C C 13 174.014 0.05 . 1 . . . . . . . . 5484 1 521 . 1 1 107 107 ASP CA C 13 56.672 0.1 . 1 . . . . . . . . 5484 1 522 . 1 1 107 107 ASP CB C 13 39.706 0.1 . 1 . . . . . . . . 5484 1 523 . 1 1 107 107 ASP N N 15 122.582 0.1 . 1 . . . . . . . . 5484 1 524 . 1 1 108 108 ASP H H 1 7.898 0.02 . 1 . . . . . . . . 5484 1 525 . 1 1 108 108 ASP C C 13 174.796 0.05 . 1 . . . . . . . . 5484 1 526 . 1 1 108 108 ASP CA C 13 52.645 0.1 . 1 . . . . . . . . 5484 1 527 . 1 1 108 108 ASP CB C 13 39.984 0.1 . 1 . . . . . . . . 5484 1 528 . 1 1 108 108 ASP N N 15 114.122 0.1 . 1 . . . . . . . . 5484 1 529 . 1 1 109 109 GLU H H 1 7.436 0.02 . 1 . . . . . . . . 5484 1 530 . 1 1 109 109 GLU C C 13 174.435 0.05 . 1 . . . . . . . . 5484 1 531 . 1 1 109 109 GLU CA C 13 54.188 0.1 . 1 . . . . . . . . 5484 1 532 . 1 1 109 109 GLU CB C 13 32.781 0.1 . 1 . . . . . . . . 5484 1 533 . 1 1 109 109 GLU N N 15 116.622 0.1 . 1 . . . . . . . . 5484 1 534 . 1 1 110 110 ILE H H 1 8.535 0.02 . 1 . . . . . . . . 5484 1 535 . 1 1 110 110 ILE C C 13 174.347 0.05 . 1 . . . . . . . . 5484 1 536 . 1 1 110 110 ILE CA C 13 60.048 0.1 . 1 . . . . . . . . 5484 1 537 . 1 1 110 110 ILE CB C 13 40.265 0.1 . 1 . . . . . . . . 5484 1 538 . 1 1 110 110 ILE N N 15 119.257 0.1 . 1 . . . . . . . . 5484 1 539 . 1 1 111 111 LEU H H 1 9.085 0.02 . 1 . . . . . . . . 5484 1 540 . 1 1 111 111 LEU C C 13 176.344 0.05 . 1 . . . . . . . . 5484 1 541 . 1 1 111 111 LEU CA C 13 53.429 0.1 . 1 . . . . . . . . 5484 1 542 . 1 1 111 111 LEU CB C 13 43.808 0.1 . 1 . . . . . . . . 5484 1 543 . 1 1 111 111 LEU N N 15 128.187 0.1 . 1 . . . . . . . . 5484 1 544 . 1 1 112 112 VAL H H 1 8.179 0.02 . 1 . . . . . . . . 5484 1 545 . 1 1 112 112 VAL C C 13 175.000 0.05 . 1 . . . . . . . . 5484 1 546 . 1 1 112 112 VAL CA C 13 58.528 0.1 . 1 . . . . . . . . 5484 1 547 . 1 1 112 112 VAL CB C 13 35.195 0.1 . 1 . . . . . . . . 5484 1 548 . 1 1 112 112 VAL N N 15 116.357 0.1 . 1 . . . . . . . . 5484 1 549 . 1 1 113 113 ARG H H 1 8.849 0.02 . 1 . . . . . . . . 5484 1 550 . 1 1 113 113 ARG C C 13 176.445 0.05 . 1 . . . . . . . . 5484 1 551 . 1 1 113 113 ARG CA C 13 58.589 0.1 . 1 . . . . . . . . 5484 1 552 . 1 1 113 113 ARG CB C 13 29.45 0.1 . 1 . . . . . . . . 5484 1 553 . 1 1 113 113 ARG N N 15 123.7 0.1 . 1 . . . . . . . . 5484 1 554 . 1 1 114 114 TYR H H 1 7.803 0.02 . 1 . . . . . . . . 5484 1 555 . 1 1 114 114 TYR C C 13 174.455 0.05 . 1 . . . . . . . . 5484 1 556 . 1 1 114 114 TYR CA C 13 59.626 0.1 . 1 . . . . . . . . 5484 1 557 . 1 1 114 114 TYR CB C 13 38.107 0.1 . 1 . . . . . . . . 5484 1 558 . 1 1 114 114 TYR N N 15 122.009 0.1 . 1 . . . . . . . . 5484 1 559 . 1 1 115 115 ASP H H 1 5.788 0.02 . 1 . . . . . . . . 5484 1 560 . 1 1 115 115 ASP C C 13 174.6 0.05 . 1 . . . . . . . . 5484 1 561 . 1 1 115 115 ASP CA C 13 52.924 0.1 . 1 . . . . . . . . 5484 1 562 . 1 1 115 115 ASP CB C 13 41.284 0.1 . 1 . . . . . . . . 5484 1 563 . 1 1 115 115 ASP N N 15 126.502 0.1 . 1 . . . . . . . . 5484 1 564 . 1 1 116 116 LYS C C 13 178.912 0.05 . 1 . . . . . . . . 5484 1 565 . 1 1 116 116 LYS CA C 13 58.358 0.1 . 1 . . . . . . . . 5484 1 566 . 1 1 116 116 LYS CB C 13 31.616 0.1 . 1 . . . . . . . . 5484 1 567 . 1 1 117 117 THR H H 1 8.315 0.02 . 1 . . . . . . . . 5484 1 568 . 1 1 117 117 THR C C 13 176.625 0.05 . 1 . . . . . . . . 5484 1 569 . 1 1 117 117 THR CA C 13 64.547 0.1 . 1 . . . . . . . . 5484 1 570 . 1 1 117 117 THR CB C 13 68.723 0.1 . 1 . . . . . . . . 5484 1 571 . 1 1 117 117 THR N N 15 112.337 0.1 . 1 . . . . . . . . 5484 1 572 . 1 1 118 118 LEU H H 1 7.882 0.02 . 1 . . . . . . . . 5484 1 573 . 1 1 118 118 LEU C C 13 177.969 0.05 . 1 . . . . . . . . 5484 1 574 . 1 1 118 118 LEU CA C 13 55.321 0.1 . 1 . . . . . . . . 5484 1 575 . 1 1 118 118 LEU CB C 13 41.84 0.1 . 1 . . . . . . . . 5484 1 576 . 1 1 118 118 LEU N N 15 122.153 0.1 . 1 . . . . . . . . 5484 1 577 . 1 1 119 119 GLU H H 1 7.39 0.02 . 1 . . . . . . . . 5484 1 578 . 1 1 119 119 GLU C C 13 177.223 0.05 . 1 . . . . . . . . 5484 1 579 . 1 1 119 119 GLU CA C 13 60.354 0.1 . 1 . . . . . . . . 5484 1 580 . 1 1 119 119 GLU CB C 13 28.59 0.1 . 1 . . . . . . . . 5484 1 581 . 1 1 119 119 GLU N N 15 119.675 0.1 . 1 . . . . . . . . 5484 1 582 . 1 1 120 120 LYS H H 1 7.44 0.02 . 1 . . . . . . . . 5484 1 583 . 1 1 120 120 LYS C C 13 178.646 0.05 . 1 . . . . . . . . 5484 1 584 . 1 1 120 120 LYS CA C 13 58.411 0.1 . 1 . . . . . . . . 5484 1 585 . 1 1 120 120 LYS CB C 13 31.432 0.1 . 1 . . . . . . . . 5484 1 586 . 1 1 120 120 LYS N N 15 115.574 0.1 . 1 . . . . . . . . 5484 1 587 . 1 1 121 121 LEU H H 1 6.874 0.02 . 1 . . . . . . . . 5484 1 588 . 1 1 121 121 LEU C C 13 177.953 0.05 . 1 . . . . . . . . 5484 1 589 . 1 1 121 121 LEU CA C 13 56.909 0.1 . 1 . . . . . . . . 5484 1 590 . 1 1 121 121 LEU CB C 13 41.189 0.1 . 1 . . . . . . . . 5484 1 591 . 1 1 121 121 LEU N N 15 120.694 0.1 . 1 . . . . . . . . 5484 1 592 . 1 1 122 122 ILE H H 1 7.722 0.02 . 1 . . . . . . . . 5484 1 593 . 1 1 122 122 ILE C C 13 179.181 0.05 . 1 . . . . . . . . 5484 1 594 . 1 1 122 122 ILE CA C 13 65.246 0.1 . 1 . . . . . . . . 5484 1 595 . 1 1 122 122 ILE CB C 13 37.118 0.1 . 1 . . . . . . . . 5484 1 596 . 1 1 122 122 ILE N N 15 119.576 0.1 . 1 . . . . . . . . 5484 1 597 . 1 1 123 123 ASP H H 1 8.063 0.02 . 1 . . . . . . . . 5484 1 598 . 1 1 123 123 ASP C C 13 178.707 0.05 . 1 . . . . . . . . 5484 1 599 . 1 1 123 123 ASP CA C 13 56.697 0.1 . 1 . . . . . . . . 5484 1 600 . 1 1 123 123 ASP CB C 13 40.368 0.1 . 1 . . . . . . . . 5484 1 601 . 1 1 123 123 ASP N N 15 119.16 0.1 . 1 . . . . . . . . 5484 1 602 . 1 1 124 124 GLU H H 1 7.722 0.02 . 1 . . . . . . . . 5484 1 603 . 1 1 124 124 GLU C C 13 178.935 0.05 . 1 . . . . . . . . 5484 1 604 . 1 1 124 124 GLU CA C 13 58.818 0.1 . 1 . . . . . . . . 5484 1 605 . 1 1 124 124 GLU CB C 13 28.918 0.1 . 1 . . . . . . . . 5484 1 606 . 1 1 124 124 GLU N N 15 120.796 0.1 . 1 . . . . . . . . 5484 1 607 . 1 1 125 125 VAL H H 1 7.857 0.02 . 1 . . . . . . . . 5484 1 608 . 1 1 125 125 VAL C C 13 177.585 0.05 . 1 . . . . . . . . 5484 1 609 . 1 1 125 125 VAL CA C 13 64.684 0.1 . 1 . . . . . . . . 5484 1 610 . 1 1 125 125 VAL CB C 13 31.046 0.1 . 1 . . . . . . . . 5484 1 611 . 1 1 125 125 VAL N N 15 119.663 0.1 . 1 . . . . . . . . 5484 1 612 . 1 1 126 126 GLY H H 1 8.102 0.02 . 1 . . . . . . . . 5484 1 613 . 1 1 126 126 GLY C C 13 174.394 0.05 . 1 . . . . . . . . 5484 1 614 . 1 1 126 126 GLY CA C 13 45.689 0.1 . 1 . . . . . . . . 5484 1 615 . 1 1 126 126 GLY N N 15 108.507 0.1 . 1 . . . . . . . . 5484 1 616 . 1 1 127 127 VAL H H 1 6.616 0.02 . 1 . . . . . . . . 5484 1 617 . 1 1 127 127 VAL C C 13 174.486 0.05 . 1 . . . . . . . . 5484 1 618 . 1 1 127 127 VAL CA C 13 59.496 0.1 . 1 . . . . . . . . 5484 1 619 . 1 1 127 127 VAL CB C 13 32.948 0.1 . 1 . . . . . . . . 5484 1 620 . 1 1 127 127 VAL N N 15 116.658 0.1 . 1 . . . . . . . . 5484 1 621 . 1 1 128 128 SER H H 1 8.537 0.02 . 1 . . . . . . . . 5484 1 622 . 1 1 128 128 SER C C 13 173.134 0.05 . 1 . . . . . . . . 5484 1 623 . 1 1 128 128 SER CA C 13 59.174 0.1 . 1 . . . . . . . . 5484 1 624 . 1 1 128 128 SER CB C 13 63.713 0.1 . 1 . . . . . . . . 5484 1 625 . 1 1 128 128 SER N N 15 121.458 0.1 . 1 . . . . . . . . 5484 1 626 . 1 1 129 129 TYR H H 1 8.035 0.02 . 1 . . . . . . . . 5484 1 627 . 1 1 129 129 TYR C C 13 173.181 0.05 . 1 . . . . . . . . 5484 1 628 . 1 1 129 129 TYR CA C 13 55.613 0.1 . 1 . . . . . . . . 5484 1 629 . 1 1 129 129 TYR CB C 13 41.346 0.1 . 1 . . . . . . . . 5484 1 630 . 1 1 129 129 TYR N N 15 119.187 0.1 . 1 . . . . . . . . 5484 1 631 . 1 1 130 130 GLU H H 1 8.644 0.02 . 1 . . . . . . . . 5484 1 632 . 1 1 130 130 GLU C C 13 175.012 0.05 . 1 . . . . . . . . 5484 1 633 . 1 1 130 130 GLU CA C 13 53.835 0.1 . 1 . . . . . . . . 5484 1 634 . 1 1 130 130 GLU CB C 13 33.161 0.1 . 1 . . . . . . . . 5484 1 635 . 1 1 130 130 GLU N N 15 118.053 0.1 . 1 . . . . . . . . 5484 1 636 . 1 1 131 131 GLN H H 1 8.862 0.02 . 1 . . . . . . . . 5484 1 637 . 1 1 131 131 GLN C C 13 175.520 0.05 . 1 . . . . . . . . 5484 1 638 . 1 1 131 131 GLN CA C 13 55.216 0.1 . 1 . . . . . . . . 5484 1 639 . 1 1 131 131 GLN CB C 13 29.36 0.1 . 1 . . . . . . . . 5484 1 640 . 1 1 131 131 GLN N N 15 123.567 0.1 . 1 . . . . . . . . 5484 1 641 . 1 1 132 132 SER H H 1 8.588 0.02 . 1 . . . . . . . . 5484 1 642 . 1 1 132 132 SER C C 13 174.100 0.05 . 1 . . . . . . . . 5484 1 643 . 1 1 132 132 SER CA C 13 55.59 0.1 . 1 . . . . . . . . 5484 1 644 . 1 1 132 132 SER CB C 13 64.437 0.1 . 1 . . . . . . . . 5484 1 645 . 1 1 132 132 SER N N 15 119.291 0.1 . 1 . . . . . . . . 5484 1 646 . 1 1 133 133 GLU H H 1 8.281 0.02 . 1 . . . . . . . . 5484 1 647 . 1 1 133 133 GLU C C 13 175.819 0.05 . 1 . . . . . . . . 5484 1 648 . 1 1 133 133 GLU CA C 13 54.892 0.1 . 1 . . . . . . . . 5484 1 649 . 1 1 133 133 GLU CB C 13 31.511 0.1 . 1 . . . . . . . . 5484 1 650 . 1 1 133 133 GLU N N 15 121.86 0.1 . 1 . . . . . . . . 5484 1 651 . 1 1 134 134 ARG H H 1 8.793 0.02 . 1 . . . . . . . . 5484 1 652 . 1 1 134 134 ARG C C 13 173.300 0.05 . 1 . . . . . . . . 5484 1 653 . 1 1 134 134 ARG CA C 13 53.083 0.1 . 1 . . . . . . . . 5484 1 654 . 1 1 134 134 ARG CB C 13 34.744 0.1 . 1 . . . . . . . . 5484 1 655 . 1 1 134 134 ARG N N 15 122.653 0.1 . 1 . . . . . . . . 5484 1 656 . 1 1 135 135 ARG H H 1 7.819 0.02 . 1 . . . . . . . . 5484 1 657 . 1 1 135 135 ARG C C 13 176.375 0.05 . 1 . . . . . . . . 5484 1 658 . 1 1 135 135 ARG CA C 13 53.802 0.1 . 1 . . . . . . . . 5484 1 659 . 1 1 135 135 ARG CB C 13 29.45 0.1 . 1 . . . . . . . . 5484 1 660 . 1 1 135 135 ARG N N 15 120.61 0.1 . 1 . . . . . . . . 5484 1 661 . 1 1 136 136 PHE H H 1 8.862 0.02 . 1 . . . . . . . . 5484 1 662 . 1 1 136 136 PHE C C 13 177.400 0.05 . 1 . . . . . . . . 5484 1 663 . 1 1 136 136 PHE CA C 13 58.354 0.1 . 1 . . . . . . . . 5484 1 664 . 1 1 136 136 PHE CB C 13 37.689 0.1 . 1 . . . . . . . . 5484 1 665 . 1 1 136 136 PHE N N 15 124.938 0.1 . 1 . . . . . . . . 5484 1 666 . 1 1 137 137 LYS H H 1 8.242 0.02 . 1 . . . . . . . . 5484 1 667 . 1 1 137 137 LYS C C 13 175.100 0.05 . 1 . . . . . . . . 5484 1 668 . 1 1 137 137 LYS CA C 13 56.727 0.1 . 1 . . . . . . . . 5484 1 669 . 1 1 137 137 LYS CB C 13 32.55 0.1 . 1 . . . . . . . . 5484 1 670 . 1 1 137 137 LYS N N 15 120.53 0.1 . 1 . . . . . . . . 5484 1 671 . 1 1 138 138 GLU H H 1 7.155 0.02 . 1 . . . . . . . . 5484 1 672 . 1 1 138 138 GLU C C 13 173.408 0.05 . 1 . . . . . . . . 5484 1 673 . 1 1 138 138 GLU CA C 13 52.791 0.1 . 1 . . . . . . . . 5484 1 674 . 1 1 138 138 GLU CB C 13 30.514 0.1 . 1 . . . . . . . . 5484 1 675 . 1 1 138 138 GLU N N 15 118.67 0.1 . 1 . . . . . . . . 5484 1 676 . 1 1 139 139 PRO C C 13 176.051 0.05 . 1 . . . . . . . . 5484 1 677 . 1 1 139 139 PRO CA C 13 62.281 0.1 . 1 . . . . . . . . 5484 1 678 . 1 1 139 139 PRO CB C 13 31.412 0.1 . 1 . . . . . . . . 5484 1 679 . 1 1 140 140 PHE H H 1 8.271 0.02 . 1 . . . . . . . . 5484 1 680 . 1 1 140 140 PHE C C 13 175.172 0.05 . 1 . . . . . . . . 5484 1 681 . 1 1 140 140 PHE CA C 13 57.723 0.1 . 1 . . . . . . . . 5484 1 682 . 1 1 140 140 PHE CB C 13 39.15 0.1 . 1 . . . . . . . . 5484 1 683 . 1 1 140 140 PHE N N 15 123.543 0.1 . 1 . . . . . . . . 5484 1 684 . 1 1 141 141 LYS H H 1 7.535 0.02 . 1 . . . . . . . . 5484 1 685 . 1 1 141 141 LYS C C 13 175.028 0.05 . 1 . . . . . . . . 5484 1 686 . 1 1 141 141 LYS CA C 13 55.533 0.1 . 1 . . . . . . . . 5484 1 687 . 1 1 141 141 LYS CB C 13 32.18 0.1 . 1 . . . . . . . . 5484 1 688 . 1 1 141 141 LYS N N 15 125.763 0.1 . 1 . . . . . . . . 5484 1 689 . 1 1 142 142 TYR H H 1 7.624 0.02 . 1 . . . . . . . . 5484 1 690 . 1 1 142 142 TYR C C 13 175.800 0.05 . 1 . . . . . . . . 5484 1 691 . 1 1 142 142 TYR CA C 13 57.631 0.1 . 1 . . . . . . . . 5484 1 692 . 1 1 142 142 TYR CB C 13 38.08 0.1 . 1 . . . . . . . . 5484 1 693 . 1 1 142 142 TYR N N 15 122.373 0.1 . 1 . . . . . . . . 5484 1 694 . 1 1 143 143 ARG H H 1 8.299 0.02 . 1 . . . . . . . . 5484 1 695 . 1 1 143 143 ARG C C 13 176.467 0.05 . 1 . . . . . . . . 5484 1 696 . 1 1 143 143 ARG CA C 13 55.451 0.1 . 1 . . . . . . . . 5484 1 697 . 1 1 143 143 ARG CB C 13 29.849 0.1 . 1 . . . . . . . . 5484 1 698 . 1 1 143 143 ARG N N 15 124.3 0.1 . 1 . . . . . . . . 5484 1 699 . 1 1 144 144 GLY H H 1 7.701 0.02 . 1 . . . . . . . . 5484 1 700 . 1 1 144 144 GLY C C 13 173.410 0.05 . 1 . . . . . . . . 5484 1 701 . 1 1 144 144 GLY CA C 13 44.787 0.1 . 1 . . . . . . . . 5484 1 702 . 1 1 144 144 GLY N N 15 109.396 0.1 . 1 . . . . . . . . 5484 1 703 . 1 1 145 145 HIS H H 1 7.964 0.02 . 1 . . . . . . . . 5484 1 704 . 1 1 145 145 HIS C C 13 173.565 0.05 . 1 . . . . . . . . 5484 1 705 . 1 1 145 145 HIS CA C 13 56.275 0.1 . 1 . . . . . . . . 5484 1 706 . 1 1 145 145 HIS CB C 13 29.629 0.1 . 1 . . . . . . . . 5484 1 707 . 1 1 145 145 HIS N N 15 122.79 0.1 . 1 . . . . . . . . 5484 1 708 . 1 1 146 146 GLN H H 1 7.897 0.02 . 1 . . . . . . . . 5484 1 709 . 1 1 146 146 GLN C C 13 174.884 0.05 . 1 . . . . . . . . 5484 1 710 . 1 1 146 146 GLN CA C 13 55.69 0.1 . 1 . . . . . . . . 5484 1 711 . 1 1 146 146 GLN CB C 13 28.852 0.1 . 1 . . . . . . . . 5484 1 712 . 1 1 146 146 GLN N N 15 125.94 0.1 . 1 . . . . . . . . 5484 1 713 . 1 1 147 147 HIS H H 1 7.902 0.02 . 1 . . . . . . . . 5484 1 714 . 1 1 147 147 HIS C C 13 175.002 0.05 . 1 . . . . . . . . 5484 1 715 . 1 1 147 147 HIS CA C 13 56.775 0.1 . 1 . . . . . . . . 5484 1 716 . 1 1 147 147 HIS CB C 13 30.3 0.1 . 1 . . . . . . . . 5484 1 717 . 1 1 147 147 HIS N N 15 125.848 0.1 . 1 . . . . . . . . 5484 1 stop_ save_