data_26932 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26932 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for MTTTm ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-11-03 _Entry.Accession_date 2016-11-03 _Entry.Last_release_date 2016-11-03 _Entry.Original_release_date 2016-11-03 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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 David Burban . J. . . 26932 2 Patricia Jennings . A. . . 26932 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Jennings group; UCSD' . 26932 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26932 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 438 26932 '15N chemical shifts' 145 26932 '1H chemical shifts' 145 26932 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 2 . . 2018-04-13 2016-11-03 update BMRB 'update entry citation' 26932 1 . . 2017-03-27 2016-11-03 original author 'original release' 26932 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1o6d 'crystal structure of MTTTm' 26932 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26932 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 28284017 _Citation.Full_citation . _Citation.Title ; Backbone assignments for the SPOUT methyltransferase MTT Tm , a knotted protein from Thermotoga maritima ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 11 _Citation.Journal_issue 2 _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 151 _Citation.Page_last 154 _Citation.Year 2017 _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 David Burban . J. . . 26932 1 2 Patricia Jennings . A. . . 26932 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'SPOUT methyltransferase' 26932 1 'minimal tied trefoil' 26932 1 topology 26932 1 'trefoil knot' 26932 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26932 _Assembly.ID 1 _Assembly.Name 'MTTTm monomer' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _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 'MTTTm monomer' 1 $MTTTm A . yes native no no . . . 26932 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1o6d . . X-ray . 'Crystal structure of MTTTm' . 26932 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MTTTm _Entity.Sf_category entity _Entity.Sf_framecode MTTTm _Entity.Entry_ID 26932 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name MTTTm _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 ; SLRVRIAVIGKLDGFIKEGI KHYEKFLRRFCKPEVLEIKR VHRGSIEEIVRKETEDLTNR ILPGSFVMVMDKRGEEVSSE EFADFLKDLEMKGKDITILI GGPYGLNEEIFAKAHRVFSL SKMTFTHGMTVLIVLEQIFR AFKIIHGENYHYEGGSHHHH HH ; _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 162 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _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 . _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 0 SER . 26932 1 2 1 LEU . 26932 1 3 2 ARG . 26932 1 4 3 VAL . 26932 1 5 4 ARG . 26932 1 6 5 ILE . 26932 1 7 6 ALA . 26932 1 8 7 VAL . 26932 1 9 8 ILE . 26932 1 10 9 GLY . 26932 1 11 10 LYS . 26932 1 12 11 LEU . 26932 1 13 12 ASP . 26932 1 14 13 GLY . 26932 1 15 14 PHE . 26932 1 16 15 ILE . 26932 1 17 16 LYS . 26932 1 18 17 GLU . 26932 1 19 18 GLY . 26932 1 20 19 ILE . 26932 1 21 20 LYS . 26932 1 22 21 HIS . 26932 1 23 22 TYR . 26932 1 24 23 GLU . 26932 1 25 24 LYS . 26932 1 26 25 PHE . 26932 1 27 26 LEU . 26932 1 28 27 ARG . 26932 1 29 28 ARG . 26932 1 30 29 PHE . 26932 1 31 30 CYS . 26932 1 32 31 LYS . 26932 1 33 32 PRO . 26932 1 34 33 GLU . 26932 1 35 34 VAL . 26932 1 36 35 LEU . 26932 1 37 36 GLU . 26932 1 38 37 ILE . 26932 1 39 38 LYS . 26932 1 40 39 ARG . 26932 1 41 40 VAL . 26932 1 42 41 HIS . 26932 1 43 42 ARG . 26932 1 44 43 GLY . 26932 1 45 44 SER . 26932 1 46 45 ILE . 26932 1 47 46 GLU . 26932 1 48 47 GLU . 26932 1 49 48 ILE . 26932 1 50 49 VAL . 26932 1 51 50 ARG . 26932 1 52 51 LYS . 26932 1 53 52 GLU . 26932 1 54 53 THR . 26932 1 55 54 GLU . 26932 1 56 55 ASP . 26932 1 57 56 LEU . 26932 1 58 57 THR . 26932 1 59 58 ASN . 26932 1 60 59 ARG . 26932 1 61 60 ILE . 26932 1 62 61 LEU . 26932 1 63 62 PRO . 26932 1 64 63 GLY . 26932 1 65 64 SER . 26932 1 66 65 PHE . 26932 1 67 66 VAL . 26932 1 68 67 MET . 26932 1 69 68 VAL . 26932 1 70 69 MET . 26932 1 71 70 ASP . 26932 1 72 71 LYS . 26932 1 73 72 ARG . 26932 1 74 73 GLY . 26932 1 75 74 GLU . 26932 1 76 75 GLU . 26932 1 77 76 VAL . 26932 1 78 77 SER . 26932 1 79 78 SER . 26932 1 80 79 GLU . 26932 1 81 80 GLU . 26932 1 82 81 PHE . 26932 1 83 82 ALA . 26932 1 84 83 ASP . 26932 1 85 84 PHE . 26932 1 86 85 LEU . 26932 1 87 86 LYS . 26932 1 88 87 ASP . 26932 1 89 88 LEU . 26932 1 90 89 GLU . 26932 1 91 90 MET . 26932 1 92 91 LYS . 26932 1 93 92 GLY . 26932 1 94 93 LYS . 26932 1 95 94 ASP . 26932 1 96 95 ILE . 26932 1 97 96 THR . 26932 1 98 97 ILE . 26932 1 99 98 LEU . 26932 1 100 99 ILE . 26932 1 101 100 GLY . 26932 1 102 101 GLY . 26932 1 103 102 PRO . 26932 1 104 103 TYR . 26932 1 105 104 GLY . 26932 1 106 105 LEU . 26932 1 107 106 ASN . 26932 1 108 107 GLU . 26932 1 109 108 GLU . 26932 1 110 109 ILE . 26932 1 111 110 PHE . 26932 1 112 111 ALA . 26932 1 113 112 LYS . 26932 1 114 113 ALA . 26932 1 115 114 HIS . 26932 1 116 115 ARG . 26932 1 117 116 VAL . 26932 1 118 117 PHE . 26932 1 119 118 SER . 26932 1 120 119 LEU . 26932 1 121 120 SER . 26932 1 122 121 LYS . 26932 1 123 122 MET . 26932 1 124 123 THR . 26932 1 125 124 PHE . 26932 1 126 125 THR . 26932 1 127 126 HIS . 26932 1 128 127 GLY . 26932 1 129 128 MET . 26932 1 130 129 THR . 26932 1 131 130 VAL . 26932 1 132 131 LEU . 26932 1 133 132 ILE . 26932 1 134 133 VAL . 26932 1 135 134 LEU . 26932 1 136 135 GLU . 26932 1 137 136 GLN . 26932 1 138 137 ILE . 26932 1 139 138 PHE . 26932 1 140 139 ARG . 26932 1 141 140 ALA . 26932 1 142 141 PHE . 26932 1 143 142 LYS . 26932 1 144 143 ILE . 26932 1 145 144 ILE . 26932 1 146 145 HIS . 26932 1 147 146 GLY . 26932 1 148 147 GLU . 26932 1 149 148 ASN . 26932 1 150 149 TYR . 26932 1 151 150 HIS . 26932 1 152 151 TYR . 26932 1 153 152 GLU . 26932 1 154 153 GLY . 26932 1 155 154 GLY . 26932 1 156 155 SER . 26932 1 157 156 HIS . 26932 1 158 157 HIS . 26932 1 159 158 HIS . 26932 1 160 159 HIS . 26932 1 161 160 HIS . 26932 1 162 161 HIS . 26932 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 . SER 1 1 26932 1 . LEU 2 2 26932 1 . ARG 3 3 26932 1 . VAL 4 4 26932 1 . ARG 5 5 26932 1 . ILE 6 6 26932 1 . ALA 7 7 26932 1 . VAL 8 8 26932 1 . ILE 9 9 26932 1 . GLY 10 10 26932 1 . LYS 11 11 26932 1 . LEU 12 12 26932 1 . ASP 13 13 26932 1 . GLY 14 14 26932 1 . PHE 15 15 26932 1 . ILE 16 16 26932 1 . LYS 17 17 26932 1 . GLU 18 18 26932 1 . GLY 19 19 26932 1 . ILE 20 20 26932 1 . LYS 21 21 26932 1 . HIS 22 22 26932 1 . TYR 23 23 26932 1 . GLU 24 24 26932 1 . LYS 25 25 26932 1 . PHE 26 26 26932 1 . LEU 27 27 26932 1 . ARG 28 28 26932 1 . ARG 29 29 26932 1 . PHE 30 30 26932 1 . CYS 31 31 26932 1 . LYS 32 32 26932 1 . PRO 33 33 26932 1 . GLU 34 34 26932 1 . VAL 35 35 26932 1 . LEU 36 36 26932 1 . GLU 37 37 26932 1 . ILE 38 38 26932 1 . LYS 39 39 26932 1 . ARG 40 40 26932 1 . VAL 41 41 26932 1 . HIS 42 42 26932 1 . ARG 43 43 26932 1 . GLY 44 44 26932 1 . SER 45 45 26932 1 . ILE 46 46 26932 1 . GLU 47 47 26932 1 . GLU 48 48 26932 1 . ILE 49 49 26932 1 . VAL 50 50 26932 1 . ARG 51 51 26932 1 . LYS 52 52 26932 1 . GLU 53 53 26932 1 . THR 54 54 26932 1 . GLU 55 55 26932 1 . ASP 56 56 26932 1 . LEU 57 57 26932 1 . THR 58 58 26932 1 . ASN 59 59 26932 1 . ARG 60 60 26932 1 . ILE 61 61 26932 1 . LEU 62 62 26932 1 . PRO 63 63 26932 1 . GLY 64 64 26932 1 . SER 65 65 26932 1 . PHE 66 66 26932 1 . VAL 67 67 26932 1 . MET 68 68 26932 1 . VAL 69 69 26932 1 . MET 70 70 26932 1 . ASP 71 71 26932 1 . LYS 72 72 26932 1 . ARG 73 73 26932 1 . GLY 74 74 26932 1 . GLU 75 75 26932 1 . GLU 76 76 26932 1 . VAL 77 77 26932 1 . SER 78 78 26932 1 . SER 79 79 26932 1 . GLU 80 80 26932 1 . GLU 81 81 26932 1 . PHE 82 82 26932 1 . ALA 83 83 26932 1 . ASP 84 84 26932 1 . PHE 85 85 26932 1 . LEU 86 86 26932 1 . LYS 87 87 26932 1 . ASP 88 88 26932 1 . LEU 89 89 26932 1 . GLU 90 90 26932 1 . MET 91 91 26932 1 . LYS 92 92 26932 1 . GLY 93 93 26932 1 . LYS 94 94 26932 1 . ASP 95 95 26932 1 . ILE 96 96 26932 1 . THR 97 97 26932 1 . ILE 98 98 26932 1 . LEU 99 99 26932 1 . ILE 100 100 26932 1 . GLY 101 101 26932 1 . GLY 102 102 26932 1 . PRO 103 103 26932 1 . TYR 104 104 26932 1 . GLY 105 105 26932 1 . LEU 106 106 26932 1 . ASN 107 107 26932 1 . GLU 108 108 26932 1 . GLU 109 109 26932 1 . ILE 110 110 26932 1 . PHE 111 111 26932 1 . ALA 112 112 26932 1 . LYS 113 113 26932 1 . ALA 114 114 26932 1 . HIS 115 115 26932 1 . ARG 116 116 26932 1 . VAL 117 117 26932 1 . PHE 118 118 26932 1 . SER 119 119 26932 1 . LEU 120 120 26932 1 . SER 121 121 26932 1 . LYS 122 122 26932 1 . MET 123 123 26932 1 . THR 124 124 26932 1 . PHE 125 125 26932 1 . THR 126 126 26932 1 . HIS 127 127 26932 1 . GLY 128 128 26932 1 . MET 129 129 26932 1 . THR 130 130 26932 1 . VAL 131 131 26932 1 . LEU 132 132 26932 1 . ILE 133 133 26932 1 . VAL 134 134 26932 1 . LEU 135 135 26932 1 . GLU 136 136 26932 1 . GLN 137 137 26932 1 . ILE 138 138 26932 1 . PHE 139 139 26932 1 . ARG 140 140 26932 1 . ALA 141 141 26932 1 . PHE 142 142 26932 1 . LYS 143 143 26932 1 . ILE 144 144 26932 1 . ILE 145 145 26932 1 . HIS 146 146 26932 1 . GLY 147 147 26932 1 . GLU 148 148 26932 1 . ASN 149 149 26932 1 . TYR 150 150 26932 1 . HIS 151 151 26932 1 . TYR 152 152 26932 1 . GLU 153 153 26932 1 . GLY 154 154 26932 1 . GLY 155 155 26932 1 . SER 156 156 26932 1 . HIS 157 157 26932 1 . HIS 158 158 26932 1 . HIS 159 159 26932 1 . HIS 160 160 26932 1 . HIS 161 161 26932 1 . HIS 162 162 26932 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 26932 _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 $MTTTm . 2336 organism . 'Thermotoga maritima' 'Thermotoga maritima' . . Bacteria . Thermotoga maritima . . . . . . . . . . . . . 26932 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 26932 _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 $MTTTm . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet28a . . . 26932 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26932 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '83.3% H2O/16.7% 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 MTTTm '[U-100% 13C; U-100% 15N]' . . 1 $MTTTm . . 350 300 400 uM . . . . 26932 1 2 'sodium acetate buffer' 'natural abundance' . . . . . . 75 . . mM . . . . 26932 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 26932 _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' 75 . mM 26932 1 pH 5.6 . pH 26932 1 pressure 1 . atm 26932 1 temperature 323 . K 26932 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26932 _Software.ID 1 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26932 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26932 1 'data analysis' 26932 1 'peak picking' 26932 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 26932 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 26932 _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 Avance . 800 . . . 26932 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 26932 _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 . . . . . . . . . . . . . . . . 26932 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26932 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26932 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26932 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26932 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26932 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 26932 _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 0.00 na indirect 0.251449530 . . . . . 26932 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 26932 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 26932 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 26932 _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' . . . 26932 1 2 '3D HNCA' . . . 26932 1 3 '3D HNCACB' . . . 26932 1 4 '3D CBCA(CO)NH' . . . 26932 1 5 '3D HNCO' . . . 26932 1 6 '3D HN(CA)CO' . . . 26932 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $SPARKY . . 26932 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.Ambiguity_set_ID _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 SER C C 13 170.865 0.3 . 1 . . . . . 0 SER C . 26932 1 2 . 1 1 1 1 SER CA C 13 57.05 0.3 . 1 . . . . . 0 SER CA . 26932 1 3 . 1 1 1 1 SER CB C 13 63.4 0.3 . 1 . . . . . 0 SER CB . 26932 1 4 . 1 1 2 2 LEU H H 1 8.649 0.02 . 1 . . . . . 1 LEU H . 26932 1 5 . 1 1 2 2 LEU C C 13 175.97 0.3 . 1 . . . . . 1 LEU C . 26932 1 6 . 1 1 2 2 LEU CA C 13 55.83 0.3 . 1 . . . . . 1 LEU CA . 26932 1 7 . 1 1 2 2 LEU CB C 13 43.02 0.3 . 1 . . . . . 1 LEU CB . 26932 1 8 . 1 1 2 2 LEU N N 15 122.6 0.3 . 1 . . . . . 1 LEU N . 26932 1 9 . 1 1 3 3 ARG H H 1 9.055 0.02 . 1 . . . . . 2 ARG H . 26932 1 10 . 1 1 3 3 ARG C C 13 174.8 0.3 . 1 . . . . . 2 ARG C . 26932 1 11 . 1 1 3 3 ARG CA C 13 55.96 0.3 . 1 . . . . . 2 ARG CA . 26932 1 12 . 1 1 3 3 ARG CB C 13 31.88 0.3 . 1 . . . . . 2 ARG CB . 26932 1 13 . 1 1 3 3 ARG N N 15 123.6 0.3 . 1 . . . . . 2 ARG N . 26932 1 14 . 1 1 4 4 VAL H H 1 7.783 0.02 . 1 . . . . . 3 VAL H . 26932 1 15 . 1 1 4 4 VAL C C 13 173.51 0.3 . 1 . . . . . 3 VAL C . 26932 1 16 . 1 1 4 4 VAL CA C 13 60.67 0.3 . 1 . . . . . 3 VAL CA . 26932 1 17 . 1 1 4 4 VAL CB C 13 34.61 0.3 . 1 . . . . . 3 VAL CB . 26932 1 18 . 1 1 4 4 VAL N N 15 122.8 0.3 . 1 . . . . . 3 VAL N . 26932 1 19 . 1 1 5 5 ARG H H 1 9.144 0.02 . 1 . . . . . 4 ARG H . 26932 1 20 . 1 1 5 5 ARG C C 13 174.283 0.3 . 1 . . . . . 4 ARG C . 26932 1 21 . 1 1 5 5 ARG CA C 13 53.93 0.3 . 1 . . . . . 4 ARG CA . 26932 1 22 . 1 1 5 5 ARG CB C 13 33.59 0.3 . 1 . . . . . 4 ARG CB . 26932 1 23 . 1 1 5 5 ARG N N 15 127.5 0.3 . 1 . . . . . 4 ARG N . 26932 1 24 . 1 1 6 6 ILE H H 1 9.245 0.02 . 1 . . . . . 5 ILE H . 26932 1 25 . 1 1 6 6 ILE C C 13 173.845 0.3 . 1 . . . . . 5 ILE C . 26932 1 26 . 1 1 6 6 ILE CA C 13 59.98 0.3 . 1 . . . . . 5 ILE CA . 26932 1 27 . 1 1 6 6 ILE CB C 13 39.83 0.3 . 1 . . . . . 5 ILE CB . 26932 1 28 . 1 1 6 6 ILE N N 15 128.3 0.3 . 1 . . . . . 5 ILE N . 26932 1 29 . 1 1 7 7 ALA H H 1 9.255 0.02 . 1 . . . . . 6 ALA H . 26932 1 30 . 1 1 7 7 ALA C C 13 173.362 0.3 . 1 . . . . . 6 ALA C . 26932 1 31 . 1 1 7 7 ALA CA C 13 50.34 0.3 . 1 . . . . . 6 ALA CA . 26932 1 32 . 1 1 7 7 ALA CB C 13 20.77 0.3 . 1 . . . . . 6 ALA CB . 26932 1 33 . 1 1 7 7 ALA N N 15 131.1 0.3 . 1 . . . . . 6 ALA N . 26932 1 34 . 1 1 8 8 VAL H H 1 8.426 0.02 . 1 . . . . . 7 VAL H . 26932 1 35 . 1 1 8 8 VAL C C 13 172.27 0.3 . 1 . . . . . 7 VAL C . 26932 1 36 . 1 1 8 8 VAL CA C 13 57.58 0.3 . 1 . . . . . 7 VAL CA . 26932 1 37 . 1 1 8 8 VAL CB C 13 36.2 0.3 . 1 . . . . . 7 VAL CB . 26932 1 38 . 1 1 8 8 VAL N N 15 120 0.3 . 1 . . . . . 7 VAL N . 26932 1 39 . 1 1 9 9 ILE H H 1 7.333 0.02 . 1 . . . . . 8 ILE H . 26932 1 40 . 1 1 9 9 ILE C C 13 174.468 0.3 . 1 . . . . . 8 ILE C . 26932 1 41 . 1 1 9 9 ILE CA C 13 58.47 0.3 . 1 . . . . . 8 ILE CA . 26932 1 42 . 1 1 9 9 ILE CB C 13 36.18 0.3 . 1 . . . . . 8 ILE CB . 26932 1 43 . 1 1 9 9 ILE N N 15 126.3 0.3 . 1 . . . . . 8 ILE N . 26932 1 44 . 1 1 10 10 GLY H H 1 8.315 0.02 . 1 . . . . . 9 GLY H . 26932 1 45 . 1 1 10 10 GLY C C 13 171.07 0.3 . 1 . . . . . 9 GLY C . 26932 1 46 . 1 1 10 10 GLY CA C 13 43.44 0.3 . 1 . . . . . 9 GLY CA . 26932 1 47 . 1 1 10 10 GLY N N 15 114.8 0.3 . 1 . . . . . 9 GLY N . 26932 1 48 . 1 1 11 11 LYS H H 1 7.681 0.02 . 1 . . . . . 10 LYS H . 26932 1 49 . 1 1 11 11 LYS C C 13 178.128 0.3 . 1 . . . . . 10 LYS C . 26932 1 50 . 1 1 11 11 LYS CA C 13 55.7 0.3 . 1 . . . . . 10 LYS CA . 26932 1 51 . 1 1 11 11 LYS CB C 13 33.86 0.3 . 1 . . . . . 10 LYS CB . 26932 1 52 . 1 1 11 11 LYS N N 15 116.7 0.3 . 1 . . . . . 10 LYS N . 26932 1 53 . 1 1 12 12 LEU H H 1 9.144 0.02 . 1 . . . . . 11 LEU H . 26932 1 54 . 1 1 12 12 LEU C C 13 175.477 0.3 . 1 . . . . . 11 LEU C . 26932 1 55 . 1 1 12 12 LEU CA C 13 53.23 0.3 . 1 . . . . . 11 LEU CA . 26932 1 56 . 1 1 12 12 LEU CB C 13 42.36 0.3 . 1 . . . . . 11 LEU CB . 26932 1 57 . 1 1 12 12 LEU N N 15 127.5 0.3 . 1 . . . . . 11 LEU N . 26932 1 58 . 1 1 13 13 ASP H H 1 7.685 0.02 . 1 . . . . . 12 ASP H . 26932 1 59 . 1 1 13 13 ASP C C 13 176.703 0.3 . 1 . . . . . 12 ASP C . 26932 1 60 . 1 1 13 13 ASP CA C 13 54.25 0.3 . 1 . . . . . 12 ASP CA . 26932 1 61 . 1 1 13 13 ASP CB C 13 43.3 0.3 . 1 . . . . . 12 ASP CB . 26932 1 62 . 1 1 13 13 ASP N N 15 121.4 0.3 . 1 . . . . . 12 ASP N . 26932 1 63 . 1 1 15 15 PHE C C 13 176.16 0.3 . 1 . . . . . 14 PHE C . 26932 1 64 . 1 1 15 15 PHE CA C 13 60.16 0.3 . 1 . . . . . 14 PHE CA . 26932 1 65 . 1 1 15 15 PHE CB C 13 37.43 0.3 . 1 . . . . . 14 PHE CB . 26932 1 66 . 1 1 16 16 ILE H H 1 6.27 0.02 . 1 . . . . . 15 ILE H . 26932 1 67 . 1 1 16 16 ILE C C 13 177.887 0.3 . 1 . . . . . 15 ILE C . 26932 1 68 . 1 1 16 16 ILE CA C 13 62.28 0.3 . 1 . . . . . 15 ILE CA . 26932 1 69 . 1 1 16 16 ILE CB C 13 35.72 0.3 . 1 . . . . . 15 ILE CB . 26932 1 70 . 1 1 16 16 ILE N N 15 121.5 0.3 . 1 . . . . . 15 ILE N . 26932 1 71 . 1 1 17 17 LYS H H 1 7.29 0.02 . 1 . . . . . 16 LYS H . 26932 1 72 . 1 1 17 17 LYS C C 13 179.264 0.3 . 1 . . . . . 16 LYS C . 26932 1 73 . 1 1 17 17 LYS CA C 13 60.06 0.3 . 1 . . . . . 16 LYS CA . 26932 1 74 . 1 1 17 17 LYS CB C 13 31.4 0.3 . 1 . . . . . 16 LYS CB . 26932 1 75 . 1 1 17 17 LYS N N 15 119.3 0.3 . 1 . . . . . 16 LYS N . 26932 1 76 . 1 1 18 18 GLU H H 1 7.908 0.02 . 1 . . . . . 17 GLU H . 26932 1 77 . 1 1 18 18 GLU C C 13 179.241 0.3 . 1 . . . . . 17 GLU C . 26932 1 78 . 1 1 18 18 GLU CA C 13 59.17 0.3 . 1 . . . . . 17 GLU CA . 26932 1 79 . 1 1 18 18 GLU CB C 13 29.48 0.3 . 1 . . . . . 17 GLU CB . 26932 1 80 . 1 1 18 18 GLU N N 15 118.7 0.3 . 1 . . . . . 17 GLU N . 26932 1 81 . 1 1 19 19 GLY H H 1 7.928 0.02 . 1 . . . . . 18 GLY H . 26932 1 82 . 1 1 19 19 GLY C C 13 174.691 0.3 . 1 . . . . . 18 GLY C . 26932 1 83 . 1 1 19 19 GLY CA C 13 46.71 0.3 . 1 . . . . . 18 GLY CA . 26932 1 84 . 1 1 19 19 GLY N N 15 110.7 0.3 . 1 . . . . . 18 GLY N . 26932 1 85 . 1 1 20 20 ILE H H 1 8.406 0.02 . 1 . . . . . 19 ILE H . 26932 1 86 . 1 1 20 20 ILE C C 13 177.304 0.3 . 1 . . . . . 19 ILE C . 26932 1 87 . 1 1 20 20 ILE CA C 13 66.12 0.3 . 1 . . . . . 19 ILE CA . 26932 1 88 . 1 1 20 20 ILE CB C 13 37.75 0.3 . 1 . . . . . 19 ILE CB . 26932 1 89 . 1 1 20 20 ILE N N 15 122.9 0.3 . 1 . . . . . 19 ILE N . 26932 1 90 . 1 1 21 21 LYS H H 1 7.499 0.02 . 1 . . . . . 20 LYS H . 26932 1 91 . 1 1 21 21 LYS C C 13 178.895 0.3 . 1 . . . . . 20 LYS C . 26932 1 92 . 1 1 21 21 LYS CA C 13 59.45 0.3 . 1 . . . . . 20 LYS CA . 26932 1 93 . 1 1 21 21 LYS CB C 13 32.24 0.3 . 1 . . . . . 20 LYS CB . 26932 1 94 . 1 1 21 21 LYS N N 15 118.2 0.3 . 1 . . . . . 20 LYS N . 26932 1 95 . 1 1 22 22 HIS H H 1 7.521 0.02 . 1 . . . . . 21 HIS H . 26932 1 96 . 1 1 22 22 HIS C C 13 176.427 0.3 . 1 . . . . . 21 HIS C . 26932 1 97 . 1 1 22 22 HIS CA C 13 59.86 0.3 . 1 . . . . . 21 HIS CA . 26932 1 98 . 1 1 22 22 HIS CB C 13 30.25 0.3 . 1 . . . . . 21 HIS CB . 26932 1 99 . 1 1 22 22 HIS N N 15 118.8 0.3 . 1 . . . . . 21 HIS N . 26932 1 100 . 1 1 23 23 TYR H H 1 7.938 0.02 . 1 . . . . . 22 TYR H . 26932 1 101 . 1 1 23 23 TYR C C 13 178.889 0.3 . 1 . . . . . 22 TYR C . 26932 1 102 . 1 1 23 23 TYR CA C 13 63.55 0.3 . 1 . . . . . 22 TYR CA . 26932 1 103 . 1 1 23 23 TYR CB C 13 39.14 0.3 . 1 . . . . . 22 TYR CB . 26932 1 104 . 1 1 23 23 TYR N N 15 113.7 0.3 . 1 . . . . . 22 TYR N . 26932 1 105 . 1 1 24 24 GLU H H 1 9.248 0.02 . 1 . . . . . 23 GLU H . 26932 1 106 . 1 1 24 24 GLU C C 13 177.504 0.3 . 1 . . . . . 23 GLU C . 26932 1 107 . 1 1 24 24 GLU CA C 13 61.37 0.3 . 1 . . . . . 23 GLU CA . 26932 1 108 . 1 1 24 24 GLU CB C 13 29.85 0.3 . 1 . . . . . 23 GLU CB . 26932 1 109 . 1 1 24 24 GLU N N 15 120.6 0.3 . 1 . . . . . 23 GLU N . 26932 1 110 . 1 1 25 25 LYS H H 1 7.099 0.02 . 1 . . . . . 24 LYS H . 26932 1 111 . 1 1 25 25 LYS C C 13 178.617 0.3 . 1 . . . . . 24 LYS C . 26932 1 112 . 1 1 25 25 LYS CA C 13 59.55 0.3 . 1 . . . . . 24 LYS CA . 26932 1 113 . 1 1 25 25 LYS CB C 13 31.76 0.3 . 1 . . . . . 24 LYS CB . 26932 1 114 . 1 1 25 25 LYS N N 15 116.2 0.3 . 1 . . . . . 24 LYS N . 26932 1 115 . 1 1 26 26 PHE H H 1 6.817 0.02 . 1 . . . . . 25 PHE H . 26932 1 116 . 1 1 26 26 PHE C C 13 178.36 0.3 . 1 . . . . . 25 PHE C . 26932 1 117 . 1 1 26 26 PHE CA C 13 59.39 0.3 . 1 . . . . . 25 PHE CA . 26932 1 118 . 1 1 26 26 PHE CB C 13 39.34 0.3 . 1 . . . . . 25 PHE CB . 26932 1 119 . 1 1 26 26 PHE N N 15 116.3 0.3 . 1 . . . . . 25 PHE N . 26932 1 120 . 1 1 27 27 LEU H H 1 8.635 0.02 . 1 . . . . . 26 LEU H . 26932 1 121 . 1 1 27 27 LEU C C 13 178.622 0.3 . 1 . . . . . 26 LEU C . 26932 1 122 . 1 1 27 27 LEU CA C 13 57.54 0.3 . 1 . . . . . 26 LEU CA . 26932 1 123 . 1 1 27 27 LEU CB C 13 43.74 0.3 . 1 . . . . . 26 LEU CB . 26932 1 124 . 1 1 27 27 LEU N N 15 117.7 0.3 . 1 . . . . . 26 LEU N . 26932 1 125 . 1 1 28 28 ARG H H 1 7.744 0.02 . 1 . . . . . 27 ARG H . 26932 1 126 . 1 1 28 28 ARG C C 13 176.324 0.3 . 1 . . . . . 27 ARG C . 26932 1 127 . 1 1 28 28 ARG CA C 13 58.64 0.3 . 1 . . . . . 27 ARG CA . 26932 1 128 . 1 1 28 28 ARG CB C 13 29.99 0.3 . 1 . . . . . 27 ARG CB . 26932 1 129 . 1 1 28 28 ARG N N 15 118.4 0.3 . 1 . . . . . 27 ARG N . 26932 1 130 . 1 1 29 29 ARG H H 1 7.099 0.02 . 1 . . . . . 28 ARG H . 26932 1 131 . 1 1 29 29 ARG C C 13 176.01 0.3 . 1 . . . . . 28 ARG C . 26932 1 132 . 1 1 29 29 ARG CA C 13 57.87 0.3 . 1 . . . . . 28 ARG CA . 26932 1 133 . 1 1 29 29 ARG CB C 13 30.19 0.3 . 1 . . . . . 28 ARG CB . 26932 1 134 . 1 1 29 29 ARG N N 15 116.2 0.3 . 1 . . . . . 28 ARG N . 26932 1 135 . 1 1 30 30 PHE H H 1 7.865 0.02 . 1 . . . . . 29 PHE H . 26932 1 136 . 1 1 30 30 PHE C C 13 174.452 0.3 . 1 . . . . . 29 PHE C . 26932 1 137 . 1 1 30 30 PHE CA C 13 57.68 0.3 . 1 . . . . . 29 PHE CA . 26932 1 138 . 1 1 30 30 PHE CB C 13 42.33 0.3 . 1 . . . . . 29 PHE CB . 26932 1 139 . 1 1 30 30 PHE N N 15 114.2 0.3 . 1 . . . . . 29 PHE N . 26932 1 140 . 1 1 31 31 CYS H H 1 8.271 0.02 . 1 . . . . . 30 CYS H . 26932 1 141 . 1 1 31 31 CYS C C 13 171.298 0.3 . 1 . . . . . 30 CYS C . 26932 1 142 . 1 1 31 31 CYS CA C 13 56.33 0.3 . 1 . . . . . 30 CYS CA . 26932 1 143 . 1 1 31 31 CYS CB C 13 30.58 0.3 . 1 . . . . . 30 CYS CB . 26932 1 144 . 1 1 31 31 CYS N N 15 112.5 0.3 . 1 . . . . . 30 CYS N . 26932 1 145 . 1 1 32 32 LYS H H 1 8.701 0.02 . 1 . . . . . 31 LYS H . 26932 1 146 . 1 1 32 32 LYS C C 13 174.611 0.3 . 1 . . . . . 31 LYS C . 26932 1 147 . 1 1 32 32 LYS CA C 13 52.92 0.3 . 1 . . . . . 31 LYS CA . 26932 1 148 . 1 1 32 32 LYS CB C 13 33.09 0.3 . 1 . . . . . 31 LYS CB . 26932 1 149 . 1 1 32 32 LYS N N 15 118.1 0.3 . 1 . . . . . 31 LYS N . 26932 1 150 . 1 1 33 33 PRO C C 13 176.649 0.3 . 1 . . . . . 32 PRO C . 26932 1 151 . 1 1 33 33 PRO CA C 13 61.79 0.3 . 1 . . . . . 32 PRO CA . 26932 1 152 . 1 1 33 33 PRO CB C 13 32.29 0.3 . 1 . . . . . 32 PRO CB . 26932 1 153 . 1 1 34 34 GLU H H 1 8.764 0.02 . 1 . . . . . 33 GLU H . 26932 1 154 . 1 1 34 34 GLU C C 13 173.752 0.3 . 1 . . . . . 33 GLU C . 26932 1 155 . 1 1 34 34 GLU CA C 13 55.84 0.3 . 1 . . . . . 33 GLU CA . 26932 1 156 . 1 1 34 34 GLU CB C 13 33.58 0.3 . 1 . . . . . 33 GLU CB . 26932 1 157 . 1 1 34 34 GLU N N 15 119.7 0.3 . 1 . . . . . 33 GLU N . 26932 1 158 . 1 1 35 35 VAL H H 1 8.685 0.02 . 1 . . . . . 34 VAL H . 26932 1 159 . 1 1 35 35 VAL C C 13 174.869 0.3 . 1 . . . . . 34 VAL C . 26932 1 160 . 1 1 35 35 VAL CA C 13 61.32 0.3 . 1 . . . . . 34 VAL CA . 26932 1 161 . 1 1 35 35 VAL CB C 13 32.7 0.3 . 1 . . . . . 34 VAL CB . 26932 1 162 . 1 1 35 35 VAL N N 15 124.2 0.3 . 1 . . . . . 34 VAL N . 26932 1 163 . 1 1 36 36 LEU H H 1 9.544 0.02 . 1 . . . . . 35 LEU H . 26932 1 164 . 1 1 36 36 LEU C C 13 174.094 0.3 . 1 . . . . . 35 LEU C . 26932 1 165 . 1 1 36 36 LEU CA C 13 53.8 0.3 . 1 . . . . . 35 LEU CA . 26932 1 166 . 1 1 36 36 LEU CB C 13 43.4 0.3 . 1 . . . . . 35 LEU CB . 26932 1 167 . 1 1 36 36 LEU N N 15 130.4 0.3 . 1 . . . . . 35 LEU N . 26932 1 168 . 1 1 37 37 GLU H H 1 8.224 0.02 . 1 . . . . . 36 GLU H . 26932 1 169 . 1 1 37 37 GLU C C 13 175.927 0.3 . 1 . . . . . 36 GLU C . 26932 1 170 . 1 1 37 37 GLU CA C 13 55.36 0.3 . 1 . . . . . 36 GLU CA . 26932 1 171 . 1 1 37 37 GLU CB C 13 31.92 0.3 . 1 . . . . . 36 GLU CB . 26932 1 172 . 1 1 37 37 GLU N N 15 124 0.3 . 1 . . . . . 36 GLU N . 26932 1 173 . 1 1 38 38 ILE H H 1 8.883 0.02 . 1 . . . . . 37 ILE H . 26932 1 174 . 1 1 38 38 ILE C C 13 175.292 0.3 . 1 . . . . . 37 ILE C . 26932 1 175 . 1 1 38 38 ILE CA C 13 60.77 0.3 . 1 . . . . . 37 ILE CA . 26932 1 176 . 1 1 38 38 ILE CB C 13 37.99 0.3 . 1 . . . . . 37 ILE CB . 26932 1 177 . 1 1 38 38 ILE N N 15 128.4 0.3 . 1 . . . . . 37 ILE N . 26932 1 178 . 1 1 39 39 LYS H H 1 8.279 0.02 . 1 . . . . . 38 LYS H . 26932 1 179 . 1 1 39 39 LYS C C 13 176.361 0.3 . 1 . . . . . 38 LYS C . 26932 1 180 . 1 1 39 39 LYS CA C 13 56.97 0.3 . 1 . . . . . 38 LYS CA . 26932 1 181 . 1 1 39 39 LYS CB C 13 32.44 0.3 . 1 . . . . . 38 LYS CB . 26932 1 182 . 1 1 39 39 LYS N N 15 126.6 0.3 . 1 . . . . . 38 LYS N . 26932 1 183 . 1 1 41 41 VAL C C 13 175.543 0.3 . 1 . . . . . 40 VAL C . 26932 1 184 . 1 1 41 41 VAL CA C 13 61.52 0.3 . 1 . . . . . 40 VAL CA . 26932 1 185 . 1 1 41 41 VAL CB C 13 32.61 0.3 . 1 . . . . . 40 VAL CB . 26932 1 186 . 1 1 42 42 HIS H H 1 8.183 0.02 . 1 . . . . . 41 HIS H . 26932 1 187 . 1 1 42 42 HIS C C 13 174.397 0.3 . 1 . . . . . 41 HIS C . 26932 1 188 . 1 1 42 42 HIS CA C 13 56.48 0.3 . 1 . . . . . 41 HIS CA . 26932 1 189 . 1 1 42 42 HIS CB C 13 31.7 0.3 . 1 . . . . . 41 HIS CB . 26932 1 190 . 1 1 42 42 HIS N N 15 123.4 0.3 . 1 . . . . . 41 HIS N . 26932 1 191 . 1 1 43 43 ARG H H 1 8.123 0.02 . 1 . . . . . 42 ARG H . 26932 1 192 . 1 1 43 43 ARG C C 13 174.378 0.3 . 1 . . . . . 42 ARG C . 26932 1 193 . 1 1 43 43 ARG CA C 13 54.62 0.3 . 1 . . . . . 42 ARG CA . 26932 1 194 . 1 1 43 43 ARG CB C 13 33.11 0.3 . 1 . . . . . 42 ARG CB . 26932 1 195 . 1 1 43 43 ARG N N 15 120.5 0.3 . 1 . . . . . 42 ARG N . 26932 1 196 . 1 1 44 44 GLY H H 1 7.957 0.02 . 1 . . . . . 43 GLY H . 26932 1 197 . 1 1 44 44 GLY C C 13 173.09 0.3 . 1 . . . . . 43 GLY C . 26932 1 198 . 1 1 44 44 GLY CA C 13 44.2 0.3 . 1 . . . . . 43 GLY CA . 26932 1 199 . 1 1 44 44 GLY N N 15 107.8 0.3 . 1 . . . . . 43 GLY N . 26932 1 200 . 1 1 45 45 SER H H 1 8.334 0.02 . 1 . . . . . 44 SER H . 26932 1 201 . 1 1 45 45 SER C C 13 174.717 0.3 . 1 . . . . . 44 SER C . 26932 1 202 . 1 1 45 45 SER CA C 13 57.64 0.3 . 1 . . . . . 44 SER CA . 26932 1 203 . 1 1 45 45 SER CB C 13 64.72 0.3 . 1 . . . . . 44 SER CB . 26932 1 204 . 1 1 45 45 SER N N 15 115.6 0.3 . 1 . . . . . 44 SER N . 26932 1 205 . 1 1 46 46 ILE H H 1 8.443 0.02 . 1 . . . . . 45 ILE H . 26932 1 206 . 1 1 46 46 ILE C C 13 177.005 0.3 . 1 . . . . . 45 ILE C . 26932 1 207 . 1 1 46 46 ILE CA C 13 65.02 0.3 . 1 . . . . . 45 ILE CA . 26932 1 208 . 1 1 46 46 ILE CB C 13 36.78 0.3 . 1 . . . . . 45 ILE CB . 26932 1 209 . 1 1 46 46 ILE N N 15 121.4 0.3 . 1 . . . . . 45 ILE N . 26932 1 210 . 1 1 47 47 GLU H H 1 8.366 0.02 . 1 . . . . . 46 GLU H . 26932 1 211 . 1 1 47 47 GLU C C 13 179.348 0.3 . 1 . . . . . 46 GLU C . 26932 1 212 . 1 1 47 47 GLU CA C 13 60.31 0.3 . 1 . . . . . 46 GLU CA . 26932 1 213 . 1 1 47 47 GLU CB C 13 29.11 0.3 . 1 . . . . . 46 GLU CB . 26932 1 214 . 1 1 47 47 GLU N N 15 116.8 0.3 . 1 . . . . . 46 GLU N . 26932 1 215 . 1 1 48 48 GLU H H 1 7.483 0.02 . 1 . . . . . 47 GLU H . 26932 1 216 . 1 1 48 48 GLU C C 13 178.502 0.3 . 1 . . . . . 47 GLU C . 26932 1 217 . 1 1 48 48 GLU CA C 13 59.16 0.3 . 1 . . . . . 47 GLU CA . 26932 1 218 . 1 1 48 48 GLU CB C 13 30.06 0.3 . 1 . . . . . 47 GLU CB . 26932 1 219 . 1 1 48 48 GLU N N 15 120.6 0.3 . 1 . . . . . 47 GLU N . 26932 1 220 . 1 1 49 49 ILE H H 1 8.413 0.02 . 1 . . . . . 48 ILE H . 26932 1 221 . 1 1 49 49 ILE C C 13 177.791 0.3 . 1 . . . . . 48 ILE C . 26932 1 222 . 1 1 49 49 ILE CA C 13 66.62 0.3 . 1 . . . . . 48 ILE CA . 26932 1 223 . 1 1 49 49 ILE CB C 13 29.49 0.3 . 1 . . . . . 48 ILE CB . 26932 1 224 . 1 1 49 49 ILE N N 15 121.7 0.3 . 1 . . . . . 48 ILE N . 26932 1 225 . 1 1 50 50 VAL H H 1 8.558 0.02 . 1 . . . . . 49 VAL H . 26932 1 226 . 1 1 50 50 VAL C C 13 180.008 0.3 . 1 . . . . . 49 VAL C . 26932 1 227 . 1 1 50 50 VAL CA C 13 66.81 0.3 . 1 . . . . . 49 VAL CA . 26932 1 228 . 1 1 50 50 VAL CB C 13 31.82 0.3 . 1 . . . . . 49 VAL CB . 26932 1 229 . 1 1 50 50 VAL N N 15 118.5 0.3 . 1 . . . . . 49 VAL N . 26932 1 230 . 1 1 51 51 ARG H H 1 7.961 0.02 . 1 . . . . . 50 ARG H . 26932 1 231 . 1 1 51 51 ARG C C 13 178.499 0.3 . 1 . . . . . 50 ARG C . 26932 1 232 . 1 1 51 51 ARG CA C 13 60.83 0.3 . 1 . . . . . 50 ARG CA . 26932 1 233 . 1 1 51 51 ARG CB C 13 29.9 0.3 . 1 . . . . . 50 ARG CB . 26932 1 234 . 1 1 51 51 ARG N N 15 123.1 0.3 . 1 . . . . . 50 ARG N . 26932 1 235 . 1 1 52 52 LYS H H 1 8.083 0.02 . 1 . . . . . 51 LYS H . 26932 1 236 . 1 1 52 52 LYS C C 13 179.195 0.3 . 1 . . . . . 51 LYS C . 26932 1 237 . 1 1 52 52 LYS CA C 13 59.18 0.3 . 1 . . . . . 51 LYS CA . 26932 1 238 . 1 1 52 52 LYS CB C 13 30.4 0.3 . 1 . . . . . 51 LYS CB . 26932 1 239 . 1 1 52 52 LYS N N 15 120.1 0.3 . 1 . . . . . 51 LYS N . 26932 1 240 . 1 1 53 53 GLU H H 1 8.896 0.02 . 1 . . . . . 52 GLU H . 26932 1 241 . 1 1 53 53 GLU C C 13 178.936 0.3 . 1 . . . . . 52 GLU C . 26932 1 242 . 1 1 53 53 GLU CA C 13 59.9 0.3 . 1 . . . . . 52 GLU CA . 26932 1 243 . 1 1 53 53 GLU N N 15 120.2 0.3 . 1 . . . . . 52 GLU N . 26932 1 244 . 1 1 54 54 THR H H 1 8.098 0.02 . 1 . . . . . 53 THR H . 26932 1 245 . 1 1 54 54 THR C C 13 176.961 0.3 . 1 . . . . . 53 THR C . 26932 1 246 . 1 1 54 54 THR CA C 13 68.07 0.3 . 1 . . . . . 53 THR CA . 26932 1 247 . 1 1 54 54 THR N N 15 114.2 0.3 . 1 . . . . . 53 THR N . 26932 1 248 . 1 1 55 55 GLU H H 1 8.016 0.02 . 1 . . . . . 54 GLU H . 26932 1 249 . 1 1 55 55 GLU C C 13 178.15 0.3 . 1 . . . . . 54 GLU C . 26932 1 250 . 1 1 55 55 GLU CA C 13 59.67 0.3 . 1 . . . . . 54 GLU CA . 26932 1 251 . 1 1 55 55 GLU CB C 13 29.51 0.3 . 1 . . . . . 54 GLU CB . 26932 1 252 . 1 1 55 55 GLU N N 15 125 0.3 . 1 . . . . . 54 GLU N . 26932 1 253 . 1 1 56 56 ASP H H 1 8.195 0.02 . 1 . . . . . 55 ASP H . 26932 1 254 . 1 1 56 56 ASP C C 13 179.515 0.3 . 1 . . . . . 55 ASP C . 26932 1 255 . 1 1 56 56 ASP CA C 13 57.84 0.3 . 1 . . . . . 55 ASP CA . 26932 1 256 . 1 1 56 56 ASP CB C 13 40.69 0.3 . 1 . . . . . 55 ASP CB . 26932 1 257 . 1 1 56 56 ASP N N 15 120.5 0.3 . 1 . . . . . 55 ASP N . 26932 1 258 . 1 1 57 57 LEU H H 1 7.928 0.02 . 1 . . . . . 56 LEU H . 26932 1 259 . 1 1 57 57 LEU C C 13 179.021 0.3 . 1 . . . . . 56 LEU C . 26932 1 260 . 1 1 57 57 LEU CA C 13 58.21 0.3 . 1 . . . . . 56 LEU CA . 26932 1 261 . 1 1 57 57 LEU CB C 13 42.79 0.3 . 1 . . . . . 56 LEU CB . 26932 1 262 . 1 1 57 57 LEU N N 15 118.7 0.3 . 1 . . . . . 56 LEU N . 26932 1 263 . 1 1 58 58 THR H H 1 8.27 0.02 . 1 . . . . . 57 THR H . 26932 1 264 . 1 1 58 58 THR C C 13 177.407 0.3 . 1 . . . . . 57 THR C . 26932 1 265 . 1 1 58 58 THR CA C 13 66.19 0.3 . 1 . . . . . 57 THR CA . 26932 1 266 . 1 1 58 58 THR CB C 13 68.24 0.3 . 1 . . . . . 57 THR CB . 26932 1 267 . 1 1 58 58 THR N N 15 113 0.3 . 1 . . . . . 57 THR N . 26932 1 268 . 1 1 59 59 ASN H H 1 8.019 0.02 . 1 . . . . . 58 ASN H . 26932 1 269 . 1 1 59 59 ASN C C 13 175.8 0.3 . 1 . . . . . 58 ASN C . 26932 1 270 . 1 1 59 59 ASN CA C 13 54.81 0.3 . 1 . . . . . 58 ASN CA . 26932 1 271 . 1 1 59 59 ASN CB C 13 38.64 0.3 . 1 . . . . . 58 ASN CB . 26932 1 272 . 1 1 59 59 ASN N N 15 119.3 0.3 . 1 . . . . . 58 ASN N . 26932 1 273 . 1 1 60 60 ARG H H 1 7.651 0.02 . 1 . . . . . 59 ARG H . 26932 1 274 . 1 1 60 60 ARG C C 13 175.785 0.3 . 1 . . . . . 59 ARG C . 26932 1 275 . 1 1 60 60 ARG CA C 13 54.65 0.3 . 1 . . . . . 59 ARG CA . 26932 1 276 . 1 1 60 60 ARG CB C 13 30.17 0.3 . 1 . . . . . 59 ARG CB . 26932 1 277 . 1 1 60 60 ARG N N 15 116.9 0.3 . 1 . . . . . 59 ARG N . 26932 1 278 . 1 1 61 61 ILE H H 1 7.128 0.02 . 1 . . . . . 60 ILE H . 26932 1 279 . 1 1 61 61 ILE C C 13 177.432 0.3 . 1 . . . . . 60 ILE C . 26932 1 280 . 1 1 61 61 ILE CA C 13 63.69 0.3 . 1 . . . . . 60 ILE CA . 26932 1 281 . 1 1 61 61 ILE CB C 13 39.36 0.3 . 1 . . . . . 60 ILE CB . 26932 1 282 . 1 1 61 61 ILE N N 15 120.3 0.3 . 1 . . . . . 60 ILE N . 26932 1 283 . 1 1 62 62 LEU H H 1 7.865 0.02 . 1 . . . . . 61 LEU H . 26932 1 284 . 1 1 62 62 LEU C C 13 175.335 0.3 . 1 . . . . . 61 LEU C . 26932 1 285 . 1 1 62 62 LEU CA C 13 52.8 0.3 . 1 . . . . . 61 LEU CA . 26932 1 286 . 1 1 62 62 LEU CB C 13 41.35 0.3 . 1 . . . . . 61 LEU CB . 26932 1 287 . 1 1 62 62 LEU N N 15 130.9 0.3 . 1 . . . . . 61 LEU N . 26932 1 288 . 1 1 64 64 GLY C C 13 174.278 0.3 . 1 . . . . . 63 GLY C . 26932 1 289 . 1 1 64 64 GLY CA C 13 45.92 0.3 . 1 . . . . . 63 GLY CA . 26932 1 290 . 1 1 65 65 SER H H 1 7.826 0.02 . 1 . . . . . 64 SER H . 26932 1 291 . 1 1 65 65 SER C C 13 173.441 0.3 . 1 . . . . . 64 SER C . 26932 1 292 . 1 1 65 65 SER CA C 13 58.02 0.3 . 1 . . . . . 64 SER CA . 26932 1 293 . 1 1 65 65 SER CB C 13 65.2 0.3 . 1 . . . . . 64 SER CB . 26932 1 294 . 1 1 65 65 SER N N 15 114 0.3 . 1 . . . . . 64 SER N . 26932 1 295 . 1 1 66 66 PHE H H 1 9.264 0.02 . 1 . . . . . 65 PHE H . 26932 1 296 . 1 1 66 66 PHE C C 13 174.845 0.3 . 1 . . . . . 65 PHE C . 26932 1 297 . 1 1 66 66 PHE CA C 13 57.65 0.3 . 1 . . . . . 65 PHE CA . 26932 1 298 . 1 1 66 66 PHE CB C 13 41.21 0.3 . 1 . . . . . 65 PHE CB . 26932 1 299 . 1 1 66 66 PHE N N 15 122.9 0.3 . 1 . . . . . 65 PHE N . 26932 1 300 . 1 1 67 67 VAL H H 1 11.11 0.02 . 1 . . . . . 66 VAL H . 26932 1 301 . 1 1 67 67 VAL C C 13 175.789 0.3 . 1 . . . . . 66 VAL C . 26932 1 302 . 1 1 67 67 VAL CA C 13 62.79 0.3 . 1 . . . . . 66 VAL CA . 26932 1 303 . 1 1 67 67 VAL CB C 13 32.95 0.3 . 1 . . . . . 66 VAL CB . 26932 1 304 . 1 1 67 67 VAL N N 15 133.8 0.3 . 1 . . . . . 66 VAL N . 26932 1 305 . 1 1 68 68 MET H H 1 9.645 0.02 . 1 . . . . . 67 MET H . 26932 1 306 . 1 1 68 68 MET C C 13 174.566 0.3 . 1 . . . . . 67 MET C . 26932 1 307 . 1 1 68 68 MET CA C 13 53.69 0.3 . 1 . . . . . 67 MET CA . 26932 1 308 . 1 1 68 68 MET CB C 13 37.08 0.3 . 1 . . . . . 67 MET CB . 26932 1 309 . 1 1 68 68 MET N N 15 127.4 0.3 . 1 . . . . . 67 MET N . 26932 1 310 . 1 1 69 69 VAL H H 1 8.276 0.02 . 1 . . . . . 68 VAL H . 26932 1 311 . 1 1 69 69 VAL C C 13 174.142 0.3 . 1 . . . . . 68 VAL C . 26932 1 312 . 1 1 69 69 VAL CA C 13 60.75 0.3 . 1 . . . . . 68 VAL CA . 26932 1 313 . 1 1 69 69 VAL CB C 13 35.19 0.3 . 1 . . . . . 68 VAL CB . 26932 1 314 . 1 1 69 69 VAL N N 15 122.7 0.3 . 1 . . . . . 68 VAL N . 26932 1 315 . 1 1 70 70 MET H H 1 7.875 0.02 . 1 . . . . . 69 MET H . 26932 1 316 . 1 1 70 70 MET C C 13 174.927 0.3 . 1 . . . . . 69 MET C . 26932 1 317 . 1 1 70 70 MET CA C 13 52.11 0.3 . 1 . . . . . 69 MET CA . 26932 1 318 . 1 1 70 70 MET CB C 13 29.94 0.3 . 1 . . . . . 69 MET CB . 26932 1 319 . 1 1 70 70 MET N N 15 124.5 0.3 . 1 . . . . . 69 MET N . 26932 1 320 . 1 1 71 71 ASP H H 1 8.958 0.02 . 1 . . . . . 70 ASP H . 26932 1 321 . 1 1 71 71 ASP C C 13 174.974 0.3 . 1 . . . . . 70 ASP C . 26932 1 322 . 1 1 71 71 ASP CA C 13 55.28 0.3 . 1 . . . . . 70 ASP CA . 26932 1 323 . 1 1 71 71 ASP CB C 13 47.86 0.3 . 1 . . . . . 70 ASP CB . 26932 1 324 . 1 1 71 71 ASP N N 15 123.8 0.3 . 1 . . . . . 70 ASP N . 26932 1 325 . 1 1 72 72 LYS H H 1 8.174 0.02 . 1 . . . . . 71 LYS H . 26932 1 326 . 1 1 72 72 LYS C C 13 176.407 0.3 . 1 . . . . . 71 LYS C . 26932 1 327 . 1 1 72 72 LYS CA C 13 58.59 0.3 . 1 . . . . . 71 LYS CA . 26932 1 328 . 1 1 72 72 LYS CB C 13 32.37 0.3 . 1 . . . . . 71 LYS CB . 26932 1 329 . 1 1 72 72 LYS N N 15 124.1 0.3 . 1 . . . . . 71 LYS N . 26932 1 330 . 1 1 73 73 ARG H H 1 9.061 0.02 . 1 . . . . . 72 ARG H . 26932 1 331 . 1 1 73 73 ARG C C 13 177.17 0.3 . 1 . . . . . 72 ARG C . 26932 1 332 . 1 1 73 73 ARG CA C 13 56.62 0.3 . 1 . . . . . 72 ARG CA . 26932 1 333 . 1 1 73 73 ARG CB C 13 29.9 0.3 . 1 . . . . . 72 ARG CB . 26932 1 334 . 1 1 73 73 ARG N N 15 119.2 0.3 . 1 . . . . . 72 ARG N . 26932 1 335 . 1 1 74 74 GLY H H 1 8.079 0.02 . 1 . . . . . 73 GLY H . 26932 1 336 . 1 1 74 74 GLY C C 13 171.514 0.3 . 1 . . . . . 73 GLY C . 26932 1 337 . 1 1 74 74 GLY CA C 13 44.67 0.3 . 1 . . . . . 73 GLY CA . 26932 1 338 . 1 1 74 74 GLY N N 15 106.5 0.3 . 1 . . . . . 73 GLY N . 26932 1 339 . 1 1 75 75 GLU H H 1 7.946 0.02 . 1 . . . . . 74 GLU H . 26932 1 340 . 1 1 75 75 GLU C C 13 175.938 0.3 . 1 . . . . . 74 GLU C . 26932 1 341 . 1 1 75 75 GLU CA C 13 56.26 0.3 . 1 . . . . . 74 GLU CA . 26932 1 342 . 1 1 75 75 GLU CB C 13 31.58 0.3 . 1 . . . . . 74 GLU CB . 26932 1 343 . 1 1 75 75 GLU N N 15 118.8 0.3 . 1 . . . . . 74 GLU N . 26932 1 344 . 1 1 76 76 GLU H H 1 8.52 0.02 . 1 . . . . . 75 GLU H . 26932 1 345 . 1 1 76 76 GLU C C 13 175.992 0.3 . 1 . . . . . 75 GLU C . 26932 1 346 . 1 1 76 76 GLU CA C 13 55.13 0.3 . 1 . . . . . 75 GLU CA . 26932 1 347 . 1 1 76 76 GLU CB C 13 30.82 0.3 . 1 . . . . . 75 GLU CB . 26932 1 348 . 1 1 76 76 GLU N N 15 126.8 0.3 . 1 . . . . . 75 GLU N . 26932 1 349 . 1 1 77 77 VAL H H 1 8.987 0.02 . 1 . . . . . 76 VAL H . 26932 1 350 . 1 1 77 77 VAL C C 13 173.339 0.3 . 1 . . . . . 76 VAL C . 26932 1 351 . 1 1 77 77 VAL CA C 13 58.95 0.3 . 1 . . . . . 76 VAL CA . 26932 1 352 . 1 1 77 77 VAL CB C 13 34.96 0.3 . 1 . . . . . 76 VAL CB . 26932 1 353 . 1 1 77 77 VAL N N 15 120.6 0.3 . 1 . . . . . 76 VAL N . 26932 1 354 . 1 1 78 78 SER H H 1 8.348 0.02 . 1 . . . . . 77 SER H . 26932 1 355 . 1 1 78 78 SER C C 13 175.931 0.3 . 1 . . . . . 77 SER C . 26932 1 356 . 1 1 78 78 SER CA C 13 57 0.3 . 1 . . . . . 77 SER CA . 26932 1 357 . 1 1 78 78 SER CB C 13 65.66 0.3 . 1 . . . . . 77 SER CB . 26932 1 358 . 1 1 78 78 SER N N 15 112.3 0.3 . 1 . . . . . 77 SER N . 26932 1 359 . 1 1 79 79 SER H H 1 9.279 0.02 . 1 . . . . . 78 SER H . 26932 1 360 . 1 1 79 79 SER C C 13 175.919 0.3 . 1 . . . . . 78 SER C . 26932 1 361 . 1 1 79 79 SER CA C 13 64.62 0.3 . 1 . . . . . 78 SER CA . 26932 1 362 . 1 1 79 79 SER N N 15 118 0.3 . 1 . . . . . 78 SER N . 26932 1 363 . 1 1 80 80 GLU H H 1 9.08 0.02 . 1 . . . . . 79 GLU H . 26932 1 364 . 1 1 80 80 GLU C C 13 178.739 0.3 . 1 . . . . . 79 GLU C . 26932 1 365 . 1 1 80 80 GLU CA C 13 61.28 0.3 . 1 . . . . . 79 GLU CA . 26932 1 366 . 1 1 80 80 GLU CB C 13 28.77 0.3 . 1 . . . . . 79 GLU CB . 26932 1 367 . 1 1 80 80 GLU N N 15 122.9 0.3 . 1 . . . . . 79 GLU N . 26932 1 368 . 1 1 81 81 GLU H H 1 7.715 0.02 . 1 . . . . . 80 GLU H . 26932 1 369 . 1 1 81 81 GLU C C 13 179.55 0.3 . 1 . . . . . 80 GLU C . 26932 1 370 . 1 1 81 81 GLU CA C 13 59.2 0.3 . 1 . . . . . 80 GLU CA . 26932 1 371 . 1 1 81 81 GLU CB C 13 30.4 0.3 . 1 . . . . . 80 GLU CB . 26932 1 372 . 1 1 81 81 GLU N N 15 120.5 0.3 . 1 . . . . . 80 GLU N . 26932 1 373 . 1 1 82 82 PHE H H 1 8.466 0.02 . 1 . . . . . 81 PHE H . 26932 1 374 . 1 1 82 82 PHE C C 13 176.505 0.3 . 1 . . . . . 81 PHE C . 26932 1 375 . 1 1 82 82 PHE CA C 13 62.02 0.3 . 1 . . . . . 81 PHE CA . 26932 1 376 . 1 1 82 82 PHE CB C 13 39.5 0.3 . 1 . . . . . 81 PHE CB . 26932 1 377 . 1 1 82 82 PHE N N 15 121.7 0.3 . 1 . . . . . 81 PHE N . 26932 1 378 . 1 1 83 83 ALA H H 1 8.244 0.02 . 1 . . . . . 82 ALA H . 26932 1 379 . 1 1 83 83 ALA C C 13 178.449 0.3 . 1 . . . . . 82 ALA C . 26932 1 380 . 1 1 83 83 ALA CA C 13 55.68 0.3 . 1 . . . . . 82 ALA CA . 26932 1 381 . 1 1 83 83 ALA CB C 13 18.02 0.3 . 1 . . . . . 82 ALA CB . 26932 1 382 . 1 1 83 83 ALA N N 15 119.9 0.3 . 1 . . . . . 82 ALA N . 26932 1 383 . 1 1 84 84 ASP H H 1 7.537 0.02 . 1 . . . . . 83 ASP H . 26932 1 384 . 1 1 84 84 ASP C C 13 178.496 0.3 . 1 . . . . . 83 ASP C . 26932 1 385 . 1 1 84 84 ASP CA C 13 57.65 0.3 . 1 . . . . . 83 ASP CA . 26932 1 386 . 1 1 84 84 ASP CB C 13 40.48 0.3 . 1 . . . . . 83 ASP CB . 26932 1 387 . 1 1 84 84 ASP N N 15 118.3 0.3 . 1 . . . . . 83 ASP N . 26932 1 388 . 1 1 85 85 PHE H H 1 7.656 0.02 . 1 . . . . . 84 PHE H . 26932 1 389 . 1 1 85 85 PHE C C 13 176.783 0.3 . 1 . . . . . 84 PHE C . 26932 1 390 . 1 1 85 85 PHE CA C 13 60.09 0.3 . 1 . . . . . 84 PHE CA . 26932 1 391 . 1 1 85 85 PHE CB C 13 38.3 0.3 . 1 . . . . . 84 PHE CB . 26932 1 392 . 1 1 85 85 PHE N N 15 121.4 0.3 . 1 . . . . . 84 PHE N . 26932 1 393 . 1 1 86 86 LEU H H 1 7.917 0.02 . 1 . . . . . 85 LEU H . 26932 1 394 . 1 1 86 86 LEU C C 13 177.776 0.3 . 1 . . . . . 85 LEU C . 26932 1 395 . 1 1 86 86 LEU CA C 13 57.37 0.3 . 1 . . . . . 85 LEU CA . 26932 1 396 . 1 1 86 86 LEU CB C 13 41.27 0.3 . 1 . . . . . 85 LEU CB . 26932 1 397 . 1 1 86 86 LEU N N 15 121.1 0.3 . 1 . . . . . 85 LEU N . 26932 1 398 . 1 1 87 87 LYS H H 1 8.272 0.02 . 1 . . . . . 86 LYS H . 26932 1 399 . 1 1 87 87 LYS C C 13 178.323 0.3 . 1 . . . . . 86 LYS C . 26932 1 400 . 1 1 87 87 LYS CA C 13 59.76 0.3 . 1 . . . . . 86 LYS CA . 26932 1 401 . 1 1 87 87 LYS CB C 13 32.31 0.3 . 1 . . . . . 86 LYS CB . 26932 1 402 . 1 1 87 87 LYS N N 15 119.6 0.3 . 1 . . . . . 86 LYS N . 26932 1 403 . 1 1 88 88 ASP H H 1 7.133 0.02 . 1 . . . . . 87 ASP H . 26932 1 404 . 1 1 88 88 ASP C C 13 177.888 0.3 . 1 . . . . . 87 ASP C . 26932 1 405 . 1 1 88 88 ASP CA C 13 57.55 0.3 . 1 . . . . . 87 ASP CA . 26932 1 406 . 1 1 88 88 ASP CB C 13 41.71 0.3 . 1 . . . . . 87 ASP CB . 26932 1 407 . 1 1 88 88 ASP N N 15 118.4 0.3 . 1 . . . . . 87 ASP N . 26932 1 408 . 1 1 89 89 LEU H H 1 7.224 0.02 . 1 . . . . . 88 LEU H . 26932 1 409 . 1 1 89 89 LEU C C 13 179.437 0.3 . 1 . . . . . 88 LEU C . 26932 1 410 . 1 1 89 89 LEU CA C 13 58.11 0.3 . 1 . . . . . 88 LEU CA . 26932 1 411 . 1 1 89 89 LEU CB C 13 40.07 0.3 . 1 . . . . . 88 LEU CB . 26932 1 412 . 1 1 89 89 LEU N N 15 117.9 0.3 . 1 . . . . . 88 LEU N . 26932 1 413 . 1 1 90 90 GLU H H 1 8.677 0.02 . 1 . . . . . 89 GLU H . 26932 1 414 . 1 1 90 90 GLU C C 13 180.138 0.3 . 1 . . . . . 89 GLU C . 26932 1 415 . 1 1 90 90 GLU CA C 13 59.91 0.3 . 1 . . . . . 89 GLU CA . 26932 1 416 . 1 1 90 90 GLU CB C 13 29.71 0.3 . 1 . . . . . 89 GLU CB . 26932 1 417 . 1 1 90 90 GLU N N 15 120 0.3 . 1 . . . . . 89 GLU N . 26932 1 418 . 1 1 91 91 MET H H 1 8.226 0.02 . 1 . . . . . 90 MET H . 26932 1 419 . 1 1 91 91 MET C C 13 178.383 0.3 . 1 . . . . . 90 MET C . 26932 1 420 . 1 1 91 91 MET CA C 13 58.51 0.3 . 1 . . . . . 90 MET CA . 26932 1 421 . 1 1 91 91 MET CB C 13 32.34 0.3 . 1 . . . . . 90 MET CB . 26932 1 422 . 1 1 91 91 MET N N 15 119.2 0.3 . 1 . . . . . 90 MET N . 26932 1 423 . 1 1 92 92 LYS H H 1 7.656 0.02 . 1 . . . . . 91 LYS H . 26932 1 424 . 1 1 92 92 LYS C C 13 177.104 0.3 . 1 . . . . . 91 LYS C . 26932 1 425 . 1 1 92 92 LYS CA C 13 57.06 0.3 . 1 . . . . . 91 LYS CA . 26932 1 426 . 1 1 92 92 LYS CB C 13 33.74 0.3 . 1 . . . . . 91 LYS CB . 26932 1 427 . 1 1 92 92 LYS N N 15 117.1 0.3 . 1 . . . . . 91 LYS N . 26932 1 428 . 1 1 93 93 GLY H H 1 7.905 0.02 . 1 . . . . . 92 GLY H . 26932 1 429 . 1 1 93 93 GLY C C 13 174.435 0.3 . 1 . . . . . 92 GLY C . 26932 1 430 . 1 1 93 93 GLY CA C 13 46.97 0.3 . 1 . . . . . 92 GLY CA . 26932 1 431 . 1 1 93 93 GLY N N 15 109.6 0.3 . 1 . . . . . 92 GLY N . 26932 1 432 . 1 1 94 94 LYS H H 1 7.615 0.02 . 1 . . . . . 93 LYS H . 26932 1 433 . 1 1 94 94 LYS C C 13 173.61 0.3 . 1 . . . . . 93 LYS C . 26932 1 434 . 1 1 94 94 LYS CA C 13 54.7 0.3 . 1 . . . . . 93 LYS CA . 26932 1 435 . 1 1 94 94 LYS CB C 13 33.49 0.3 . 1 . . . . . 93 LYS CB . 26932 1 436 . 1 1 94 94 LYS N N 15 121.4 0.3 . 1 . . . . . 93 LYS N . 26932 1 437 . 1 1 95 95 ASP H H 1 7.721 0.02 . 1 . . . . . 94 ASP H . 26932 1 438 . 1 1 95 95 ASP C C 13 175.086 0.3 . 1 . . . . . 94 ASP C . 26932 1 439 . 1 1 95 95 ASP CA C 13 54.74 0.3 . 1 . . . . . 94 ASP CA . 26932 1 440 . 1 1 95 95 ASP CB C 13 42.73 0.3 . 1 . . . . . 94 ASP CB . 26932 1 441 . 1 1 95 95 ASP N N 15 119.3 0.3 . 1 . . . . . 94 ASP N . 26932 1 442 . 1 1 96 96 ILE H H 1 8.609 0.02 . 1 . . . . . 95 ILE H . 26932 1 443 . 1 1 96 96 ILE C C 13 175.646 0.3 . 1 . . . . . 95 ILE C . 26932 1 444 . 1 1 96 96 ILE CA C 13 60.78 0.3 . 1 . . . . . 95 ILE CA . 26932 1 445 . 1 1 96 96 ILE CB C 13 43.65 0.3 . 1 . . . . . 95 ILE CB . 26932 1 446 . 1 1 96 96 ILE N N 15 117.6 0.3 . 1 . . . . . 95 ILE N . 26932 1 447 . 1 1 97 97 THR H H 1 9.335 0.02 . 1 . . . . . 96 THR H . 26932 1 448 . 1 1 97 97 THR C C 13 172.929 0.3 . 1 . . . . . 96 THR C . 26932 1 449 . 1 1 97 97 THR CA C 13 62.41 0.3 . 1 . . . . . 96 THR CA . 26932 1 450 . 1 1 97 97 THR CB C 13 70.52 0.3 . 1 . . . . . 96 THR CB . 26932 1 451 . 1 1 97 97 THR N N 15 121.6 0.3 . 1 . . . . . 96 THR N . 26932 1 452 . 1 1 98 98 ILE H H 1 9.892 0.02 . 1 . . . . . 97 ILE H . 26932 1 453 . 1 1 98 98 ILE C C 13 174.084 0.3 . 1 . . . . . 97 ILE C . 26932 1 454 . 1 1 98 98 ILE CA C 13 60.55 0.3 . 1 . . . . . 97 ILE CA . 26932 1 455 . 1 1 98 98 ILE CB C 13 39.74 0.3 . 1 . . . . . 97 ILE CB . 26932 1 456 . 1 1 98 98 ILE N N 15 127.9 0.3 . 1 . . . . . 97 ILE N . 26932 1 457 . 1 1 99 99 LEU H H 1 8.67 0.02 . 1 . . . . . 98 LEU H . 26932 1 458 . 1 1 99 99 LEU C C 13 175.305 0.3 . 1 . . . . . 98 LEU C . 26932 1 459 . 1 1 99 99 LEU CA C 13 53.8 0.3 . 1 . . . . . 98 LEU CA . 26932 1 460 . 1 1 99 99 LEU CB C 13 43.98 0.3 . 1 . . . . . 98 LEU CB . 26932 1 461 . 1 1 99 99 LEU N N 15 125.9 0.3 . 1 . . . . . 98 LEU N . 26932 1 462 . 1 1 100 100 ILE H H 1 8.375 0.02 . 1 . . . . . 99 ILE H . 26932 1 463 . 1 1 100 100 ILE C C 13 174.745 0.3 . 1 . . . . . 99 ILE C . 26932 1 464 . 1 1 100 100 ILE CA C 13 61.38 0.3 . 1 . . . . . 99 ILE CA . 26932 1 465 . 1 1 100 100 ILE N N 15 122.7 0.3 . 1 . . . . . 99 ILE N . 26932 1 466 . 1 1 101 101 GLY H H 1 8.909 0.02 . 1 . . . . . 100 GLY H . 26932 1 467 . 1 1 101 101 GLY C C 13 173.054 0.3 . 1 . . . . . 100 GLY C . 26932 1 468 . 1 1 101 101 GLY CA C 13 44.55 0.3 . 1 . . . . . 100 GLY CA . 26932 1 469 . 1 1 101 101 GLY N N 15 111.8 0.3 . 1 . . . . . 100 GLY N . 26932 1 470 . 1 1 102 102 GLY H H 1 8.931 0.02 . 1 . . . . . 101 GLY H . 26932 1 471 . 1 1 102 102 GLY CA C 13 44.64 0.3 . 1 . . . . . 101 GLY CA . 26932 1 472 . 1 1 102 102 GLY N N 15 104.3 0.3 . 1 . . . . . 101 GLY N . 26932 1 473 . 1 1 103 103 PRO C C 13 177.814 0.3 . 1 . . . . . 102 PRO C . 26932 1 474 . 1 1 103 103 PRO CA C 13 64.53 0.3 . 1 . . . . . 102 PRO CA . 26932 1 475 . 1 1 103 103 PRO CB C 13 31.89 0.3 . 1 . . . . . 102 PRO CB . 26932 1 476 . 1 1 104 104 TYR H H 1 8.562 0.02 . 1 . . . . . 103 TYR H . 26932 1 477 . 1 1 104 104 TYR C C 13 175.758 0.3 . 1 . . . . . 103 TYR C . 26932 1 478 . 1 1 104 104 TYR CA C 13 56.51 0.3 . 1 . . . . . 103 TYR CA . 26932 1 479 . 1 1 104 104 TYR CB C 13 37.99 0.3 . 1 . . . . . 103 TYR CB . 26932 1 480 . 1 1 104 104 TYR N N 15 116.8 0.3 . 1 . . . . . 103 TYR N . 26932 1 481 . 1 1 105 105 GLY H H 1 7.597 0.02 . 1 . . . . . 104 GLY H . 26932 1 482 . 1 1 105 105 GLY C C 13 172.187 0.3 . 1 . . . . . 104 GLY C . 26932 1 483 . 1 1 105 105 GLY CA C 13 44.56 0.3 . 1 . . . . . 104 GLY CA . 26932 1 484 . 1 1 105 105 GLY N N 15 107.2 0.3 . 1 . . . . . 104 GLY N . 26932 1 485 . 1 1 106 106 LEU H H 1 8.117 0.02 . 1 . . . . . 105 LEU H . 26932 1 486 . 1 1 106 106 LEU C C 13 176.609 0.3 . 1 . . . . . 105 LEU C . 26932 1 487 . 1 1 106 106 LEU CA C 13 53.32 0.3 . 1 . . . . . 105 LEU CA . 26932 1 488 . 1 1 106 106 LEU CB C 13 46.15 0.3 . 1 . . . . . 105 LEU CB . 26932 1 489 . 1 1 106 106 LEU N N 15 117.3 0.3 . 1 . . . . . 105 LEU N . 26932 1 490 . 1 1 107 107 ASN H H 1 8.02 0.02 . 1 . . . . . 106 ASN H . 26932 1 491 . 1 1 107 107 ASN C C 13 175.381 0.3 . 1 . . . . . 106 ASN C . 26932 1 492 . 1 1 107 107 ASN CA C 13 53.29 0.3 . 1 . . . . . 106 ASN CA . 26932 1 493 . 1 1 107 107 ASN CB C 13 40.46 0.3 . 1 . . . . . 106 ASN CB . 26932 1 494 . 1 1 107 107 ASN N N 15 120.7 0.3 . 1 . . . . . 106 ASN N . 26932 1 495 . 1 1 108 108 GLU H H 1 8.649 0.02 . 1 . . . . . 107 GLU H . 26932 1 496 . 1 1 108 108 GLU C C 13 177.73 0.3 . 1 . . . . . 107 GLU C . 26932 1 497 . 1 1 108 108 GLU CA C 13 59.01 0.3 . 1 . . . . . 107 GLU CA . 26932 1 498 . 1 1 108 108 GLU CB C 13 29.79 0.3 . 1 . . . . . 107 GLU CB . 26932 1 499 . 1 1 108 108 GLU N N 15 122.6 0.3 . 1 . . . . . 107 GLU N . 26932 1 500 . 1 1 109 109 GLU H H 1 8.549 0.02 . 1 . . . . . 108 GLU H . 26932 1 501 . 1 1 109 109 GLU C C 13 178.751 0.3 . 1 . . . . . 108 GLU C . 26932 1 502 . 1 1 109 109 GLU CA C 13 59.29 0.3 . 1 . . . . . 108 GLU CA . 26932 1 503 . 1 1 109 109 GLU CB C 13 29.35 0.3 . 1 . . . . . 108 GLU CB . 26932 1 504 . 1 1 109 109 GLU N N 15 120.1 0.3 . 1 . . . . . 108 GLU N . 26932 1 505 . 1 1 110 110 ILE H H 1 7.608 0.02 . 1 . . . . . 109 ILE H . 26932 1 506 . 1 1 110 110 ILE C C 13 176.626 0.3 . 1 . . . . . 109 ILE C . 26932 1 507 . 1 1 110 110 ILE CA C 13 62.72 0.3 . 1 . . . . . 109 ILE CA . 26932 1 508 . 1 1 110 110 ILE CB C 13 37.74 0.3 . 1 . . . . . 109 ILE CB . 26932 1 509 . 1 1 110 110 ILE N N 15 117.2 0.3 . 1 . . . . . 109 ILE N . 26932 1 510 . 1 1 111 111 PHE H H 1 7.23 0.02 . 1 . . . . . 110 PHE H . 26932 1 511 . 1 1 111 111 PHE C C 13 177.169 0.3 . 1 . . . . . 110 PHE C . 26932 1 512 . 1 1 111 111 PHE CA C 13 60.8 0.3 . 1 . . . . . 110 PHE CA . 26932 1 513 . 1 1 111 111 PHE CB C 13 37.01 0.3 . 1 . . . . . 110 PHE CB . 26932 1 514 . 1 1 111 111 PHE N N 15 119.6 0.3 . 1 . . . . . 110 PHE N . 26932 1 515 . 1 1 112 112 ALA H H 1 7.358 0.02 . 1 . . . . . 111 ALA H . 26932 1 516 . 1 1 112 112 ALA C C 13 178.33 0.3 . 1 . . . . . 111 ALA C . 26932 1 517 . 1 1 112 112 ALA CA C 13 53.52 0.3 . 1 . . . . . 111 ALA CA . 26932 1 518 . 1 1 112 112 ALA CB C 13 18.68 0.3 . 1 . . . . . 111 ALA CB . 26932 1 519 . 1 1 112 112 ALA N N 15 119.8 0.3 . 1 . . . . . 111 ALA N . 26932 1 520 . 1 1 113 113 LYS H H 1 7.233 0.02 . 1 . . . . . 112 LYS H . 26932 1 521 . 1 1 113 113 LYS C C 13 175.042 0.3 . 1 . . . . . 112 LYS C . 26932 1 522 . 1 1 113 113 LYS CA C 13 55.36 0.3 . 1 . . . . . 112 LYS CA . 26932 1 523 . 1 1 113 113 LYS CB C 13 33.44 0.3 . 1 . . . . . 112 LYS CB . 26932 1 524 . 1 1 113 113 LYS N N 15 115.5 0.3 . 1 . . . . . 112 LYS N . 26932 1 525 . 1 1 114 114 ALA H H 1 6.883 0.02 . 1 . . . . . 113 ALA H . 26932 1 526 . 1 1 114 114 ALA C C 13 176.249 0.3 . 1 . . . . . 113 ALA C . 26932 1 527 . 1 1 114 114 ALA CA C 13 51.17 0.3 . 1 . . . . . 113 ALA CA . 26932 1 528 . 1 1 114 114 ALA CB C 13 20.39 0.3 . 1 . . . . . 113 ALA CB . 26932 1 529 . 1 1 114 114 ALA N N 15 119.2 0.3 . 1 . . . . . 113 ALA N . 26932 1 530 . 1 1 115 115 HIS H H 1 8.889 0.02 . 1 . . . . . 114 HIS H . 26932 1 531 . 1 1 115 115 HIS C C 13 176.947 0.3 . 1 . . . . . 114 HIS C . 26932 1 532 . 1 1 115 115 HIS CA C 13 59.69 0.3 . 1 . . . . . 114 HIS CA . 26932 1 533 . 1 1 115 115 HIS CB C 13 31.41 0.3 . 1 . . . . . 114 HIS CB . 26932 1 534 . 1 1 115 115 HIS N N 15 121.7 0.3 . 1 . . . . . 114 HIS N . 26932 1 535 . 1 1 116 116 ARG H H 1 7.721 0.02 . 1 . . . . . 115 ARG H . 26932 1 536 . 1 1 116 116 ARG C C 13 173.263 0.3 . 1 . . . . . 115 ARG C . 26932 1 537 . 1 1 116 116 ARG CA C 13 56.09 0.3 . 1 . . . . . 115 ARG CA . 26932 1 538 . 1 1 116 116 ARG CB C 13 34.95 0.3 . 1 . . . . . 115 ARG CB . 26932 1 539 . 1 1 116 116 ARG N N 15 116.8 0.3 . 1 . . . . . 115 ARG N . 26932 1 540 . 1 1 117 117 VAL H H 1 8.256 0.02 . 1 . . . . . 116 VAL H . 26932 1 541 . 1 1 117 117 VAL C C 13 175.604 0.3 . 1 . . . . . 116 VAL C . 26932 1 542 . 1 1 117 117 VAL CA C 13 60.32 0.3 . 1 . . . . . 116 VAL CA . 26932 1 543 . 1 1 117 117 VAL CB C 13 32.97 0.3 . 1 . . . . . 116 VAL CB . 26932 1 544 . 1 1 117 117 VAL N N 15 124.5 0.3 . 1 . . . . . 116 VAL N . 26932 1 545 . 1 1 118 118 PHE H H 1 9.012 0.02 . 1 . . . . . 117 PHE H . 26932 1 546 . 1 1 118 118 PHE C C 13 174.045 0.3 . 1 . . . . . 117 PHE C . 26932 1 547 . 1 1 118 118 PHE CA C 13 56.36 0.3 . 1 . . . . . 117 PHE CA . 26932 1 548 . 1 1 118 118 PHE CB C 13 42.99 0.3 . 1 . . . . . 117 PHE CB . 26932 1 549 . 1 1 118 118 PHE N N 15 125.5 0.3 . 1 . . . . . 117 PHE N . 26932 1 550 . 1 1 119 119 SER H H 1 8.127 0.02 . 1 . . . . . 118 SER H . 26932 1 551 . 1 1 119 119 SER C C 13 175.704 0.3 . 1 . . . . . 118 SER C . 26932 1 552 . 1 1 119 119 SER CA C 13 54.96 0.3 . 1 . . . . . 118 SER CA . 26932 1 553 . 1 1 119 119 SER CB C 13 65.59 0.3 . 1 . . . . . 118 SER CB . 26932 1 554 . 1 1 119 119 SER N N 15 114 0.3 . 1 . . . . . 118 SER N . 26932 1 555 . 1 1 120 120 LEU H H 1 8.549 0.02 . 1 . . . . . 119 LEU H . 26932 1 556 . 1 1 120 120 LEU C C 13 176.128 0.3 . 1 . . . . . 119 LEU C . 26932 1 557 . 1 1 120 120 LEU CA C 13 56.16 0.3 . 1 . . . . . 119 LEU CA . 26932 1 558 . 1 1 120 120 LEU CB C 13 44.24 0.3 . 1 . . . . . 119 LEU CB . 26932 1 559 . 1 1 120 120 LEU N N 15 123.1 0.3 . 1 . . . . . 119 LEU N . 26932 1 560 . 1 1 121 121 SER H H 1 7.373 0.02 . 1 . . . . . 120 SER H . 26932 1 561 . 1 1 121 121 SER C C 13 173.23 0.3 . 1 . . . . . 120 SER C . 26932 1 562 . 1 1 121 121 SER CA C 13 57.24 0.3 . 1 . . . . . 120 SER CA . 26932 1 563 . 1 1 121 121 SER CB C 13 63.07 0.3 . 1 . . . . . 120 SER CB . 26932 1 564 . 1 1 121 121 SER N N 15 108.8 0.3 . 1 . . . . . 120 SER N . 26932 1 565 . 1 1 122 122 LYS H H 1 8.109 0.02 . 1 . . . . . 121 LYS H . 26932 1 566 . 1 1 122 122 LYS C C 13 179.222 0.3 . 1 . . . . . 121 LYS C . 26932 1 567 . 1 1 122 122 LYS CA C 13 58.29 0.3 . 1 . . . . . 121 LYS CA . 26932 1 568 . 1 1 122 122 LYS CB C 13 33.41 0.3 . 1 . . . . . 121 LYS CB . 26932 1 569 . 1 1 122 122 LYS N N 15 122.8 0.3 . 1 . . . . . 121 LYS N . 26932 1 570 . 1 1 123 123 MET H H 1 8.808 0.02 . 1 . . . . . 122 MET H . 26932 1 571 . 1 1 123 123 MET C C 13 173.67 0.3 . 1 . . . . . 122 MET C . 26932 1 572 . 1 1 123 123 MET CA C 13 56.94 0.3 . 1 . . . . . 122 MET CA . 26932 1 573 . 1 1 123 123 MET CB C 13 34.86 0.3 . 1 . . . . . 122 MET CB . 26932 1 574 . 1 1 123 123 MET N N 15 119.1 0.3 . 1 . . . . . 122 MET N . 26932 1 575 . 1 1 124 124 THR H H 1 8.571 0.02 . 1 . . . . . 123 THR H . 26932 1 576 . 1 1 124 124 THR C C 13 173.589 0.3 . 1 . . . . . 123 THR C . 26932 1 577 . 1 1 124 124 THR CA C 13 62.47 0.3 . 1 . . . . . 123 THR CA . 26932 1 578 . 1 1 124 124 THR CB C 13 65.6 0.3 . 1 . . . . . 123 THR CB . 26932 1 579 . 1 1 124 124 THR N N 15 116.3 0.3 . 1 . . . . . 123 THR N . 26932 1 580 . 1 1 125 125 PHE H H 1 8.49 0.02 . 1 . . . . . 124 PHE H . 26932 1 581 . 1 1 125 125 PHE C C 13 177.143 0.3 . 1 . . . . . 124 PHE C . 26932 1 582 . 1 1 125 125 PHE CA C 13 52.97 0.3 . 1 . . . . . 124 PHE CA . 26932 1 583 . 1 1 125 125 PHE CB C 13 40.83 0.3 . 1 . . . . . 124 PHE CB . 26932 1 584 . 1 1 125 125 PHE N N 15 127.6 0.3 . 1 . . . . . 124 PHE N . 26932 1 585 . 1 1 126 126 THR H H 1 8.67 0.02 . 1 . . . . . 125 THR H . 26932 1 586 . 1 1 126 126 THR C C 13 176.931 0.3 . 1 . . . . . 125 THR C . 26932 1 587 . 1 1 126 126 THR CA C 13 62.24 0.3 . 1 . . . . . 125 THR CA . 26932 1 588 . 1 1 126 126 THR N N 15 111.6 0.3 . 1 . . . . . 125 THR N . 26932 1 589 . 1 1 127 127 HIS C C 13 177.188 0.3 . 1 . . . . . 126 HIS C . 26932 1 590 . 1 1 127 127 HIS CA C 13 60.1 0.3 . 1 . . . . . 126 HIS CA . 26932 1 591 . 1 1 127 127 HIS CB C 13 29 0.3 . 1 . . . . . 126 HIS CB . 26932 1 592 . 1 1 128 128 GLY H H 1 6.971 0.02 . 1 . . . . . 127 GLY H . 26932 1 593 . 1 1 128 128 GLY C C 13 175.015 0.3 . 1 . . . . . 127 GLY C . 26932 1 594 . 1 1 128 128 GLY CA C 13 47.67 0.3 . 1 . . . . . 127 GLY CA . 26932 1 595 . 1 1 128 128 GLY N N 15 107.3 0.3 . 1 . . . . . 127 GLY N . 26932 1 596 . 1 1 129 129 MET H H 1 7.137 0.02 . 1 . . . . . 128 MET H . 26932 1 597 . 1 1 129 129 MET C C 13 178.273 0.3 . 1 . . . . . 128 MET C . 26932 1 598 . 1 1 129 129 MET CA C 13 56.63 0.3 . 1 . . . . . 128 MET CA . 26932 1 599 . 1 1 129 129 MET CB C 13 30.87 0.3 . 1 . . . . . 128 MET CB . 26932 1 600 . 1 1 129 129 MET N N 15 119.3 0.3 . 1 . . . . . 128 MET N . 26932 1 601 . 1 1 130 130 THR H H 1 8.119 0.02 . 1 . . . . . 129 THR H . 26932 1 602 . 1 1 130 130 THR C C 13 175.183 0.3 . 1 . . . . . 129 THR C . 26932 1 603 . 1 1 130 130 THR CA C 13 68.07 0.3 . 1 . . . . . 129 THR CA . 26932 1 604 . 1 1 130 130 THR N N 15 115.5 0.3 . 1 . . . . . 129 THR N . 26932 1 605 . 1 1 131 131 VAL H H 1 7.615 0.02 . 1 . . . . . 130 VAL H . 26932 1 606 . 1 1 131 131 VAL C C 13 176.444 0.3 . 1 . . . . . 130 VAL C . 26932 1 607 . 1 1 131 131 VAL CA C 13 67.52 0.3 . 1 . . . . . 130 VAL CA . 26932 1 608 . 1 1 131 131 VAL CB C 13 31.17 0.3 . 1 . . . . . 130 VAL CB . 26932 1 609 . 1 1 131 131 VAL N N 15 119.5 0.3 . 1 . . . . . 130 VAL N . 26932 1 610 . 1 1 132 132 LEU H H 1 7.242 0.02 . 1 . . . . . 131 LEU H . 26932 1 611 . 1 1 132 132 LEU C C 13 177.786 0.3 . 1 . . . . . 131 LEU C . 26932 1 612 . 1 1 132 132 LEU CA C 13 58.29 0.3 . 1 . . . . . 131 LEU CA . 26932 1 613 . 1 1 132 132 LEU CB C 13 41.74 0.3 . 1 . . . . . 131 LEU CB . 26932 1 614 . 1 1 132 132 LEU N N 15 116.6 0.3 . 1 . . . . . 131 LEU N . 26932 1 615 . 1 1 133 133 ILE H H 1 8.34 0.02 . 1 . . . . . 132 ILE H . 26932 1 616 . 1 1 133 133 ILE C C 13 178.683 0.3 . 1 . . . . . 132 ILE C . 26932 1 617 . 1 1 133 133 ILE CA C 13 64.82 0.3 . 1 . . . . . 132 ILE CA . 26932 1 618 . 1 1 133 133 ILE CB C 13 37.41 0.3 . 1 . . . . . 132 ILE CB . 26932 1 619 . 1 1 133 133 ILE N N 15 117.7 0.3 . 1 . . . . . 132 ILE N . 26932 1 620 . 1 1 134 134 VAL H H 1 8.255 0.02 . 1 . . . . . 133 VAL H . 26932 1 621 . 1 1 134 134 VAL C C 13 177.292 0.3 . 1 . . . . . 133 VAL C . 26932 1 622 . 1 1 134 134 VAL CA C 13 67.54 0.3 . 1 . . . . . 133 VAL CA . 26932 1 623 . 1 1 134 134 VAL CB C 13 31.41 0.3 . 1 . . . . . 133 VAL CB . 26932 1 624 . 1 1 134 134 VAL N N 15 118.6 0.3 . 1 . . . . . 133 VAL N . 26932 1 625 . 1 1 135 135 LEU H H 1 8.049 0.02 . 1 . . . . . 134 LEU H . 26932 1 626 . 1 1 135 135 LEU C C 13 178.048 0.3 . 1 . . . . . 134 LEU C . 26932 1 627 . 1 1 135 135 LEU CA C 13 58.67 0.3 . 1 . . . . . 134 LEU CA . 26932 1 628 . 1 1 135 135 LEU CB C 13 41.74 0.3 . 1 . . . . . 134 LEU CB . 26932 1 629 . 1 1 135 135 LEU N N 15 119.3 0.3 . 1 . . . . . 134 LEU N . 26932 1 630 . 1 1 136 136 GLU H H 1 7.956 0.02 . 1 . . . . . 135 GLU H . 26932 1 631 . 1 1 136 136 GLU C C 13 178.403 0.3 . 1 . . . . . 135 GLU C . 26932 1 632 . 1 1 136 136 GLU CA C 13 60.8 0.3 . 1 . . . . . 135 GLU CA . 26932 1 633 . 1 1 136 136 GLU CB C 13 28.93 0.3 . 1 . . . . . 135 GLU CB . 26932 1 634 . 1 1 136 136 GLU N N 15 118.4 0.3 . 1 . . . . . 135 GLU N . 26932 1 635 . 1 1 137 137 GLN H H 1 8.609 0.02 . 1 . . . . . 136 GLN H . 26932 1 636 . 1 1 137 137 GLN C C 13 179.256 0.3 . 1 . . . . . 136 GLN C . 26932 1 637 . 1 1 137 137 GLN CA C 13 58.28 0.3 . 1 . . . . . 136 GLN CA . 26932 1 638 . 1 1 137 137 GLN CB C 13 27.74 0.3 . 1 . . . . . 136 GLN CB . 26932 1 639 . 1 1 137 137 GLN N N 15 117.6 0.3 . 1 . . . . . 136 GLN N . 26932 1 640 . 1 1 138 138 ILE H H 1 8.624 0.02 . 1 . . . . . 137 ILE H . 26932 1 641 . 1 1 138 138 ILE C C 13 176.466 0.3 . 1 . . . . . 137 ILE C . 26932 1 642 . 1 1 138 138 ILE CA C 13 66 0.3 . 1 . . . . . 137 ILE CA . 26932 1 643 . 1 1 138 138 ILE CB C 13 37.84 0.3 . 1 . . . . . 137 ILE CB . 26932 1 644 . 1 1 138 138 ILE N N 15 121.3 0.3 . 1 . . . . . 137 ILE N . 26932 1 645 . 1 1 139 139 PHE H H 1 8.257 0.02 . 1 . . . . . 138 PHE H . 26932 1 646 . 1 1 139 139 PHE C C 13 175.568 0.3 . 1 . . . . . 138 PHE C . 26932 1 647 . 1 1 139 139 PHE CA C 13 61.09 0.3 . 1 . . . . . 138 PHE CA . 26932 1 648 . 1 1 139 139 PHE CB C 13 38.86 0.3 . 1 . . . . . 138 PHE CB . 26932 1 649 . 1 1 139 139 PHE N N 15 120.1 0.3 . 1 . . . . . 138 PHE N . 26932 1 650 . 1 1 140 140 ARG H H 1 8.919 0.02 . 1 . . . . . 139 ARG H . 26932 1 651 . 1 1 140 140 ARG C C 13 177.834 0.3 . 1 . . . . . 139 ARG C . 26932 1 652 . 1 1 140 140 ARG CA C 13 59.51 0.3 . 1 . . . . . 139 ARG CA . 26932 1 653 . 1 1 140 140 ARG CB C 13 30.36 0.3 . 1 . . . . . 139 ARG CB . 26932 1 654 . 1 1 140 140 ARG N N 15 118.8 0.3 . 1 . . . . . 139 ARG N . 26932 1 655 . 1 1 141 141 ALA H H 1 8.119 0.02 . 1 . . . . . 140 ALA H . 26932 1 656 . 1 1 141 141 ALA C C 13 179.27 0.3 . 1 . . . . . 140 ALA C . 26932 1 657 . 1 1 141 141 ALA CA C 13 55.33 0.3 . 1 . . . . . 140 ALA CA . 26932 1 658 . 1 1 141 141 ALA CB C 13 19.32 0.3 . 1 . . . . . 140 ALA CB . 26932 1 659 . 1 1 141 141 ALA N N 15 119.2 0.3 . 1 . . . . . 140 ALA N . 26932 1 660 . 1 1 142 142 PHE H H 1 8.246 0.02 . 1 . . . . . 141 PHE H . 26932 1 661 . 1 1 142 142 PHE C C 13 178.302 0.3 . 1 . . . . . 141 PHE C . 26932 1 662 . 1 1 142 142 PHE CA C 13 61.92 0.3 . 1 . . . . . 141 PHE CA . 26932 1 663 . 1 1 142 142 PHE CB C 13 37.66 0.3 . 1 . . . . . 141 PHE CB . 26932 1 664 . 1 1 142 142 PHE N N 15 116.5 0.3 . 1 . . . . . 141 PHE N . 26932 1 665 . 1 1 143 143 LYS H H 1 7.851 0.02 . 1 . . . . . 142 LYS H . 26932 1 666 . 1 1 143 143 LYS C C 13 179.033 0.3 . 1 . . . . . 142 LYS C . 26932 1 667 . 1 1 143 143 LYS CA C 13 59.88 0.3 . 1 . . . . . 142 LYS CA . 26932 1 668 . 1 1 143 143 LYS CB C 13 31.12 0.3 . 1 . . . . . 142 LYS CB . 26932 1 669 . 1 1 143 143 LYS N N 15 118.3 0.3 . 1 . . . . . 142 LYS N . 26932 1 670 . 1 1 144 144 ILE H H 1 7.852 0.02 . 1 . . . . . 143 ILE H . 26932 1 671 . 1 1 144 144 ILE C C 13 179.377 0.3 . 1 . . . . . 143 ILE C . 26932 1 672 . 1 1 144 144 ILE CA C 13 64.92 0.3 . 1 . . . . . 143 ILE CA . 26932 1 673 . 1 1 144 144 ILE CB C 13 38.13 0.3 . 1 . . . . . 143 ILE CB . 26932 1 674 . 1 1 144 144 ILE N N 15 120.2 0.3 . 1 . . . . . 143 ILE N . 26932 1 675 . 1 1 145 145 ILE H H 1 8.448 0.02 . 1 . . . . . 144 ILE H . 26932 1 676 . 1 1 145 145 ILE C C 13 177.651 0.3 . 1 . . . . . 144 ILE C . 26932 1 677 . 1 1 145 145 ILE CA C 13 64.94 0.3 . 1 . . . . . 144 ILE CA . 26932 1 678 . 1 1 145 145 ILE CB C 13 39.16 0.3 . 1 . . . . . 144 ILE CB . 26932 1 679 . 1 1 145 145 ILE N N 15 119.4 0.3 . 1 . . . . . 144 ILE N . 26932 1 680 . 1 1 146 146 HIS H H 1 8.035 0.02 . 1 . . . . . 145 HIS H . 26932 1 681 . 1 1 146 146 HIS C C 13 174.883 0.3 . 1 . . . . . 145 HIS C . 26932 1 682 . 1 1 146 146 HIS CA C 13 56.34 0.3 . 1 . . . . . 145 HIS CA . 26932 1 683 . 1 1 146 146 HIS CB C 13 28.89 0.3 . 1 . . . . . 145 HIS CB . 26932 1 684 . 1 1 146 146 HIS N N 15 114.5 0.3 . 1 . . . . . 145 HIS N . 26932 1 685 . 1 1 147 147 GLY H H 1 7.768 0.02 . 1 . . . . . 146 GLY H . 26932 1 686 . 1 1 147 147 GLY C C 13 174.396 0.3 . 1 . . . . . 146 GLY C . 26932 1 687 . 1 1 147 147 GLY CA C 13 46.38 0.3 . 1 . . . . . 146 GLY CA . 26932 1 688 . 1 1 147 147 GLY N N 15 109.3 0.3 . 1 . . . . . 146 GLY N . 26932 1 689 . 1 1 148 148 GLU H H 1 8.448 0.02 . 1 . . . . . 147 GLU H . 26932 1 690 . 1 1 148 148 GLU C C 13 176.11 0.3 . 1 . . . . . 147 GLU C . 26932 1 691 . 1 1 148 148 GLU CA C 13 56.6 0.3 . 1 . . . . . 147 GLU CA . 26932 1 692 . 1 1 148 148 GLU CB C 13 30.54 0.3 . 1 . . . . . 147 GLU CB . 26932 1 693 . 1 1 148 148 GLU N N 15 119.4 0.3 . 1 . . . . . 147 GLU N . 26932 1 694 . 1 1 149 149 ASN H H 1 8.34 0.02 . 1 . . . . . 148 ASN H . 26932 1 695 . 1 1 149 149 ASN C C 13 174.642 0.3 . 1 . . . . . 148 ASN C . 26932 1 696 . 1 1 149 149 ASN CA C 13 53.28 0.3 . 1 . . . . . 148 ASN CA . 26932 1 697 . 1 1 149 149 ASN CB C 13 39.98 0.3 . 1 . . . . . 148 ASN CB . 26932 1 698 . 1 1 149 149 ASN N N 15 118.3 0.3 . 1 . . . . . 148 ASN N . 26932 1 699 . 1 1 150 150 TYR H H 1 7.897 0.02 . 1 . . . . . 149 TYR H . 26932 1 700 . 1 1 150 150 TYR C C 13 175.071 0.3 . 1 . . . . . 149 TYR C . 26932 1 701 . 1 1 150 150 TYR CA C 13 58.69 0.3 . 1 . . . . . 149 TYR CA . 26932 1 702 . 1 1 150 150 TYR CB C 13 39.03 0.3 . 1 . . . . . 149 TYR CB . 26932 1 703 . 1 1 150 150 TYR N N 15 121.1 0.3 . 1 . . . . . 149 TYR N . 26932 1 704 . 1 1 151 151 HIS C C 13 173.826 0.3 . 1 . . . . . 150 HIS C . 26932 1 705 . 1 1 151 151 HIS CA C 13 55.52 0.3 . 1 . . . . . 150 HIS CA . 26932 1 706 . 1 1 151 151 HIS CB C 13 30.01 0.3 . 1 . . . . . 150 HIS CB . 26932 1 707 . 1 1 152 152 TYR H H 1 7.913 0.02 . 1 . . . . . 151 TYR H . 26932 1 708 . 1 1 152 152 TYR C C 13 175.369 0.3 . 1 . . . . . 151 TYR C . 26932 1 709 . 1 1 152 152 TYR CA C 13 58.05 0.3 . 1 . . . . . 151 TYR CA . 26932 1 710 . 1 1 152 152 TYR CB C 13 38.94 0.3 . 1 . . . . . 151 TYR CB . 26932 1 711 . 1 1 152 152 TYR N N 15 122.4 0.3 . 1 . . . . . 151 TYR N . 26932 1 712 . 1 1 153 153 GLU H H 1 8.302 0.02 . 1 . . . . . 152 GLU H . 26932 1 713 . 1 1 153 153 GLU C C 13 176.409 0.3 . 1 . . . . . 152 GLU C . 26932 1 714 . 1 1 153 153 GLU CA C 13 56.53 0.3 . 1 . . . . . 152 GLU CA . 26932 1 715 . 1 1 153 153 GLU CB C 13 30.44 0.3 . 1 . . . . . 152 GLU CB . 26932 1 716 . 1 1 153 153 GLU N N 15 123.9 0.3 . 1 . . . . . 152 GLU N . 26932 1 717 . 1 1 154 154 GLY H H 1 7.707 0.02 . 1 . . . . . 153 GLY H . 26932 1 718 . 1 1 154 154 GLY C C 13 174.474 0.3 . 1 . . . . . 153 GLY C . 26932 1 719 . 1 1 154 154 GLY CA C 13 45.7 0.3 . 1 . . . . . 153 GLY CA . 26932 1 720 . 1 1 154 154 GLY N N 15 108.9 0.3 . 1 . . . . . 153 GLY N . 26932 1 721 . 1 1 155 155 GLY H H 1 8.15 0.02 . 1 . . . . . 154 GLY H . 26932 1 722 . 1 1 155 155 GLY C C 13 174.317 0.3 . 1 . . . . . 154 GLY C . 26932 1 723 . 1 1 155 155 GLY CA C 13 45.64 0.3 . 1 . . . . . 154 GLY CA . 26932 1 724 . 1 1 155 155 GLY N N 15 108.3 0.3 . 1 . . . . . 154 GLY N . 26932 1 725 . 1 1 156 156 SER H H 1 8.119 0.02 . 1 . . . . . 155 SER H . 26932 1 726 . 1 1 156 156 SER CA C 13 58.46 0.3 . 1 . . . . . 155 SER CA . 26932 1 727 . 1 1 156 156 SER CB C 13 63.77 0.3 . 1 . . . . . 155 SER CB . 26932 1 728 . 1 1 156 156 SER N N 15 115.5 0.3 . 1 . . . . . 155 SER N . 26932 1 stop_ save_