data_27531 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27531 _Entry.Title ; Backbone chemical shift assignment of Macrophage infectivity potentiator virulence factor of Trypanosoma cruzi ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-07-02 _Entry.Accession_date 2018-07-02 _Entry.Last_release_date 2018-07-03 _Entry.Original_release_date 2018-07-03 _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 Ricardo Antiparra . . . . 27531 2 Guy Lippens . . . . 27531 3 Mirko Zimic . . . . 27531 4 Patricia Sheen . . . . 27531 5 Helena Maruenda . . . . 27531 6 Juan Lopez . . . . 27531 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27531 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 433 27531 '15N chemical shifts' 142 27531 '1H chemical shifts' 142 27531 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 . . 2019-04-11 2018-07-01 update BMRB 'update entry citation' 27531 1 . . 2019-01-10 2018-07-01 original author 'original release' 27531 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27531 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30229449 _Citation.Full_citation . _Citation.Title ; Backbone chemical shift assignment of macrophage infectivity potentiator virulence factor of Trypanosoma cruzi ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full . _Citation.Journal_volume 13 _Citation.Journal_issue 1 _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 21 _Citation.Page_last 25 _Citation.Year 2019 _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 Juan Lopez . . . . 27531 1 2 Ricardo Antiparra . . . . 27531 1 3 Guy Lippens . . . . 27531 1 4 Mirko Zimic . . . . 27531 1 5 Patricia Sheen . . . . 27531 1 6 Helena Maruenda . . . . 27531 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27531 _Assembly.ID 1 _Assembly.Name TcMIP _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 . _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 TcMIP 1 $TcMIP A . yes native no no . . . 27531 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TcMIP _Entity.Sf_category entity _Entity.Sf_framecode TcMIP _Entity.Entry_ID 27531 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name TcMIP _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 ; SGDAASHEERMNNYRKRVGR LFMEQKAAQPDAVKLPSGLV FQRIARGSGKRAPAIDDKCE VHYTGRLRDGTVFDSSRERG KPTTFRPNEVIKGWTEALQL MREGDRWRLFIPYDLAYGVT GGGGMIPPYSPLEFDVELIS IKDGGKGRTAEEVDEILRKA EEDREDMHHHHHH ; _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 173 _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 30 SER . 27531 1 2 31 GLY . 27531 1 3 32 ASP . 27531 1 4 33 ALA . 27531 1 5 34 ALA . 27531 1 6 35 SER . 27531 1 7 36 HIS . 27531 1 8 37 GLU . 27531 1 9 38 GLU . 27531 1 10 39 ARG . 27531 1 11 40 MET . 27531 1 12 41 ASN . 27531 1 13 42 ASN . 27531 1 14 43 TYR . 27531 1 15 44 ARG . 27531 1 16 45 LYS . 27531 1 17 46 ARG . 27531 1 18 47 VAL . 27531 1 19 48 GLY . 27531 1 20 49 ARG . 27531 1 21 50 LEU . 27531 1 22 51 PHE . 27531 1 23 52 MET . 27531 1 24 53 GLU . 27531 1 25 54 GLN . 27531 1 26 55 LYS . 27531 1 27 56 ALA . 27531 1 28 57 ALA . 27531 1 29 58 GLN . 27531 1 30 59 PRO . 27531 1 31 60 ASP . 27531 1 32 61 ALA . 27531 1 33 62 VAL . 27531 1 34 63 LYS . 27531 1 35 64 LEU . 27531 1 36 65 PRO . 27531 1 37 66 SER . 27531 1 38 67 GLY . 27531 1 39 68 LEU . 27531 1 40 69 VAL . 27531 1 41 70 PHE . 27531 1 42 71 GLN . 27531 1 43 72 ARG . 27531 1 44 73 ILE . 27531 1 45 74 ALA . 27531 1 46 75 ARG . 27531 1 47 76 GLY . 27531 1 48 77 SER . 27531 1 49 78 GLY . 27531 1 50 79 LYS . 27531 1 51 80 ARG . 27531 1 52 81 ALA . 27531 1 53 82 PRO . 27531 1 54 83 ALA . 27531 1 55 84 ILE . 27531 1 56 85 ASP . 27531 1 57 86 ASP . 27531 1 58 87 LYS . 27531 1 59 88 CYS . 27531 1 60 89 GLU . 27531 1 61 90 VAL . 27531 1 62 91 HIS . 27531 1 63 92 TYR . 27531 1 64 93 THR . 27531 1 65 94 GLY . 27531 1 66 95 ARG . 27531 1 67 96 LEU . 27531 1 68 97 ARG . 27531 1 69 98 ASP . 27531 1 70 99 GLY . 27531 1 71 100 THR . 27531 1 72 101 VAL . 27531 1 73 102 PHE . 27531 1 74 103 ASP . 27531 1 75 104 SER . 27531 1 76 105 SER . 27531 1 77 106 ARG . 27531 1 78 107 GLU . 27531 1 79 108 ARG . 27531 1 80 109 GLY . 27531 1 81 110 LYS . 27531 1 82 111 PRO . 27531 1 83 112 THR . 27531 1 84 113 THR . 27531 1 85 114 PHE . 27531 1 86 115 ARG . 27531 1 87 116 PRO . 27531 1 88 117 ASN . 27531 1 89 118 GLU . 27531 1 90 119 VAL . 27531 1 91 120 ILE . 27531 1 92 121 LYS . 27531 1 93 122 GLY . 27531 1 94 123 TRP . 27531 1 95 124 THR . 27531 1 96 125 GLU . 27531 1 97 126 ALA . 27531 1 98 127 LEU . 27531 1 99 128 GLN . 27531 1 100 129 LEU . 27531 1 101 130 MET . 27531 1 102 131 ARG . 27531 1 103 132 GLU . 27531 1 104 133 GLY . 27531 1 105 134 ASP . 27531 1 106 135 ARG . 27531 1 107 136 TRP . 27531 1 108 137 ARG . 27531 1 109 138 LEU . 27531 1 110 139 PHE . 27531 1 111 140 ILE . 27531 1 112 141 PRO . 27531 1 113 142 TYR . 27531 1 114 143 ASP . 27531 1 115 144 LEU . 27531 1 116 145 ALA . 27531 1 117 146 TYR . 27531 1 118 147 GLY . 27531 1 119 148 VAL . 27531 1 120 149 THR . 27531 1 121 150 GLY . 27531 1 122 151 GLY . 27531 1 123 152 GLY . 27531 1 124 153 GLY . 27531 1 125 154 MET . 27531 1 126 155 ILE . 27531 1 127 156 PRO . 27531 1 128 157 PRO . 27531 1 129 158 TYR . 27531 1 130 159 SER . 27531 1 131 160 PRO . 27531 1 132 161 LEU . 27531 1 133 162 GLU . 27531 1 134 163 PHE . 27531 1 135 164 ASP . 27531 1 136 165 VAL . 27531 1 137 166 GLU . 27531 1 138 167 LEU . 27531 1 139 168 ILE . 27531 1 140 169 SER . 27531 1 141 170 ILE . 27531 1 142 171 LYS . 27531 1 143 172 ASP . 27531 1 144 173 GLY . 27531 1 145 174 GLY . 27531 1 146 175 LYS . 27531 1 147 176 GLY . 27531 1 148 177 ARG . 27531 1 149 178 THR . 27531 1 150 179 ALA . 27531 1 151 180 GLU . 27531 1 152 181 GLU . 27531 1 153 182 VAL . 27531 1 154 183 ASP . 27531 1 155 184 GLU . 27531 1 156 185 ILE . 27531 1 157 186 LEU . 27531 1 158 187 ARG . 27531 1 159 188 LYS . 27531 1 160 189 ALA . 27531 1 161 190 GLU . 27531 1 162 191 GLU . 27531 1 163 192 ASP . 27531 1 164 193 ARG . 27531 1 165 194 GLU . 27531 1 166 195 ASP . 27531 1 167 196 MET . 27531 1 168 197 HIS . 27531 1 169 198 HIS . 27531 1 170 199 HIS . 27531 1 171 200 HIS . 27531 1 172 201 HIS . 27531 1 173 202 HIS . 27531 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 27531 1 . GLY 2 2 27531 1 . ASP 3 3 27531 1 . ALA 4 4 27531 1 . ALA 5 5 27531 1 . SER 6 6 27531 1 . HIS 7 7 27531 1 . GLU 8 8 27531 1 . GLU 9 9 27531 1 . ARG 10 10 27531 1 . MET 11 11 27531 1 . ASN 12 12 27531 1 . ASN 13 13 27531 1 . TYR 14 14 27531 1 . ARG 15 15 27531 1 . LYS 16 16 27531 1 . ARG 17 17 27531 1 . VAL 18 18 27531 1 . GLY 19 19 27531 1 . ARG 20 20 27531 1 . LEU 21 21 27531 1 . PHE 22 22 27531 1 . MET 23 23 27531 1 . GLU 24 24 27531 1 . GLN 25 25 27531 1 . LYS 26 26 27531 1 . ALA 27 27 27531 1 . ALA 28 28 27531 1 . GLN 29 29 27531 1 . PRO 30 30 27531 1 . ASP 31 31 27531 1 . ALA 32 32 27531 1 . VAL 33 33 27531 1 . LYS 34 34 27531 1 . LEU 35 35 27531 1 . PRO 36 36 27531 1 . SER 37 37 27531 1 . GLY 38 38 27531 1 . LEU 39 39 27531 1 . VAL 40 40 27531 1 . PHE 41 41 27531 1 . GLN 42 42 27531 1 . ARG 43 43 27531 1 . ILE 44 44 27531 1 . ALA 45 45 27531 1 . ARG 46 46 27531 1 . GLY 47 47 27531 1 . SER 48 48 27531 1 . GLY 49 49 27531 1 . LYS 50 50 27531 1 . ARG 51 51 27531 1 . ALA 52 52 27531 1 . PRO 53 53 27531 1 . ALA 54 54 27531 1 . ILE 55 55 27531 1 . ASP 56 56 27531 1 . ASP 57 57 27531 1 . LYS 58 58 27531 1 . CYS 59 59 27531 1 . GLU 60 60 27531 1 . VAL 61 61 27531 1 . HIS 62 62 27531 1 . TYR 63 63 27531 1 . THR 64 64 27531 1 . GLY 65 65 27531 1 . ARG 66 66 27531 1 . LEU 67 67 27531 1 . ARG 68 68 27531 1 . ASP 69 69 27531 1 . GLY 70 70 27531 1 . THR 71 71 27531 1 . VAL 72 72 27531 1 . PHE 73 73 27531 1 . ASP 74 74 27531 1 . SER 75 75 27531 1 . SER 76 76 27531 1 . ARG 77 77 27531 1 . GLU 78 78 27531 1 . ARG 79 79 27531 1 . GLY 80 80 27531 1 . LYS 81 81 27531 1 . PRO 82 82 27531 1 . THR 83 83 27531 1 . THR 84 84 27531 1 . PHE 85 85 27531 1 . ARG 86 86 27531 1 . PRO 87 87 27531 1 . ASN 88 88 27531 1 . GLU 89 89 27531 1 . VAL 90 90 27531 1 . ILE 91 91 27531 1 . LYS 92 92 27531 1 . GLY 93 93 27531 1 . TRP 94 94 27531 1 . THR 95 95 27531 1 . GLU 96 96 27531 1 . ALA 97 97 27531 1 . LEU 98 98 27531 1 . GLN 99 99 27531 1 . LEU 100 100 27531 1 . MET 101 101 27531 1 . ARG 102 102 27531 1 . GLU 103 103 27531 1 . GLY 104 104 27531 1 . ASP 105 105 27531 1 . ARG 106 106 27531 1 . TRP 107 107 27531 1 . ARG 108 108 27531 1 . LEU 109 109 27531 1 . PHE 110 110 27531 1 . ILE 111 111 27531 1 . PRO 112 112 27531 1 . TYR 113 113 27531 1 . ASP 114 114 27531 1 . LEU 115 115 27531 1 . ALA 116 116 27531 1 . TYR 117 117 27531 1 . GLY 118 118 27531 1 . VAL 119 119 27531 1 . THR 120 120 27531 1 . GLY 121 121 27531 1 . GLY 122 122 27531 1 . GLY 123 123 27531 1 . GLY 124 124 27531 1 . MET 125 125 27531 1 . ILE 126 126 27531 1 . PRO 127 127 27531 1 . PRO 128 128 27531 1 . TYR 129 129 27531 1 . SER 130 130 27531 1 . PRO 131 131 27531 1 . LEU 132 132 27531 1 . GLU 133 133 27531 1 . PHE 134 134 27531 1 . ASP 135 135 27531 1 . VAL 136 136 27531 1 . GLU 137 137 27531 1 . LEU 138 138 27531 1 . ILE 139 139 27531 1 . SER 140 140 27531 1 . ILE 141 141 27531 1 . LYS 142 142 27531 1 . ASP 143 143 27531 1 . GLY 144 144 27531 1 . GLY 145 145 27531 1 . LYS 146 146 27531 1 . GLY 147 147 27531 1 . ARG 148 148 27531 1 . THR 149 149 27531 1 . ALA 150 150 27531 1 . GLU 151 151 27531 1 . GLU 152 152 27531 1 . VAL 153 153 27531 1 . ASP 154 154 27531 1 . GLU 155 155 27531 1 . ILE 156 156 27531 1 . LEU 157 157 27531 1 . ARG 158 158 27531 1 . LYS 159 159 27531 1 . ALA 160 160 27531 1 . GLU 161 161 27531 1 . GLU 162 162 27531 1 . ASP 163 163 27531 1 . ARG 164 164 27531 1 . GLU 165 165 27531 1 . ASP 166 166 27531 1 . MET 167 167 27531 1 . HIS 168 168 27531 1 . HIS 169 169 27531 1 . HIS 170 170 27531 1 . HIS 171 171 27531 1 . HIS 172 172 27531 1 . HIS 173 173 27531 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 27531 _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 $TcMIP . 5693 organism . 'Trypanosoma Cruzi' 'Trypanosoma Cruzi' . . Eukaryota . Trypanosoma Cruzi . . . . . . . . . . . . . 27531 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 27531 _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 $TcMIP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET24a . . . 27531 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27531 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM buffer phosphate, pH 6.5, 2.5 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TcMIP '[U-13C; U-15N]' . . 1 $TcMIP . . 0.75 . . mM . . . . 27531 1 2 'buffer phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27531 1 3 EDTA 'natural abundance' . . . . . . 2.5 . . mM . . . . 27531 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 27531 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '50 mM buffer phosphate, pH 6.5, 2.5 mM EDTA' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 TcMIP '[U-13C; U-15N]' . . . . . . 1 . . mM . . . . 27531 2 2 'buffer phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 27531 2 3 EDTA 'natural abundance' . . . . . . 2.5 . . mM . . . . 27531 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 27531 _Sample_condition_list.ID 1 _Sample_condition_list.Details '50 mM buffer phosphate, pH 6.5, 2.5 mM EDTA' 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' 50 . mM 27531 1 pH 6.5 . pH 27531 1 pressure 1 . atm 27531 1 temperature 298 . K 27531 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 27531 _Sample_condition_list.ID 2 _Sample_condition_list.Details '50 mM buffer phosphate, pH 6.5, 2.5 mM EDTA' 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' 50 . mM 27531 2 pH 6.5 . pH 27531 2 pressure 1 . atm 27531 2 temperature 298 . K 27531 2 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 27531 _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 . . 27531 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27531 1 stop_ save_ save_EKNAS _Software.Sf_category software _Software.Sf_framecode EKNAS _Software.Entry_ID 27531 _Software.ID 2 _Software.Type . _Software.Name EKNAS _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID EKNAS . . 27531 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 27531 2 stop_ save_ save_SHIFTX2 _Software.Sf_category software _Software.Sf_framecode SHIFTX2 _Software.Entry_ID 27531 _Software.ID 3 _Software.Type . _Software.Name SHIFTX2 _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SHIFTX2 . . 27531 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift calculation' 27531 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27531 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 27531 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27531 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 27531 1 2 spectrometer_2 Bruker Avance . 800 . . . 27531 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 27531 _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 . . . . . . . . . . . . . . . . 27531 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27531 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27531 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27531 1 5 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27531 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27531 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27531 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27531 1 9 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 27531 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 27531 _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 . . . . . 27531 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27531 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27531 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_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 27531 _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' . . . 27531 1 2 '3D HNCA' . . . 27531 1 3 '3D HNCACB' . . . 27531 1 4 '3D HN(CO)CA' . . . 27531 1 5 '3D CBCA(CO)NH' . . . 27531 1 6 '3D HNCO' . . . 27531 1 7 '3D 1H-15N NOESY' . . . 27531 1 8 '2D 1H-15N HSQC' . . . 27531 1 9 '3D HNCACB' . . . 27531 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 H H 1 8.46 . . 1 . . . . . 30 SER H . 27531 1 2 . 1 1 1 1 SER C C 13 175.3 . . 1 . . . . . 30 SER C . 27531 1 3 . 1 1 1 1 SER CA C 13 58.16 . . 1 . . . . . 30 SER CA . 27531 1 4 . 1 1 1 1 SER CB C 13 63.82 . . 1 . . . . . 30 SER CB . 27531 1 5 . 1 1 1 1 SER N N 15 116.6 . . 1 . . . . . 30 SER N . 27531 1 6 . 1 1 2 2 GLY H H 1 8.68 . . 1 . . . . . 31 GLY H . 27531 1 7 . 1 1 2 2 GLY C C 13 174.3 . . 1 . . . . . 31 GLY C . 27531 1 8 . 1 1 2 2 GLY CA C 13 45.43 . . 1 . . . . . 31 GLY CA . 27531 1 9 . 1 1 2 2 GLY N N 15 111.1 . . 1 . . . . . 31 GLY N . 27531 1 10 . 1 1 3 3 ASP H H 1 8.39 . . 1 . . . . . 32 ASP H . 27531 1 11 . 1 1 3 3 ASP C C 13 176.4 . . 1 . . . . . 32 ASP C . 27531 1 12 . 1 1 3 3 ASP CA C 13 54.30 . . 1 . . . . . 32 ASP CA . 27531 1 13 . 1 1 3 3 ASP CB C 13 41.28 . . 1 . . . . . 32 ASP CB . 27531 1 14 . 1 1 3 3 ASP N N 15 120.6 . . 1 . . . . . 32 ASP N . 27531 1 15 . 1 1 4 4 ALA H H 1 8.44 . . 1 . . . . . 33 ALA H . 27531 1 16 . 1 1 4 4 ALA C C 13 178.4 . . 1 . . . . . 33 ALA C . 27531 1 17 . 1 1 4 4 ALA CA C 13 53.46 . . 1 . . . . . 33 ALA CA . 27531 1 18 . 1 1 4 4 ALA CB C 13 18.81 . . 1 . . . . . 33 ALA CB . 27531 1 19 . 1 1 4 4 ALA N N 15 124.7 . . 1 . . . . . 33 ALA N . 27531 1 20 . 1 1 5 5 ALA H H 1 8.33 . . 1 . . . . . 34 ALA H . 27531 1 21 . 1 1 5 5 ALA C C 13 178.8 . . 1 . . . . . 34 ALA C . 27531 1 22 . 1 1 5 5 ALA CA C 13 53.43 . . 1 . . . . . 34 ALA CA . 27531 1 23 . 1 1 5 5 ALA CB C 13 18.79 . . 1 . . . . . 34 ALA CB . 27531 1 24 . 1 1 5 5 ALA N N 15 122.3 . . 1 . . . . . 34 ALA N . 27531 1 25 . 1 1 6 6 SER H H 1 8.28 . . 1 . . . . . 35 SER H . 27531 1 26 . 1 1 6 6 SER C C 13 175.5 . . 1 . . . . . 35 SER C . 27531 1 27 . 1 1 6 6 SER CA C 13 58.98 . . 1 . . . . . 35 SER CA . 27531 1 28 . 1 1 6 6 SER CB C 13 63.79 . . 1 . . . . . 35 SER CB . 27531 1 29 . 1 1 6 6 SER N N 15 115.2 . . 1 . . . . . 35 SER N . 27531 1 30 . 1 1 7 7 HIS H H 1 8.56 . . 1 . . . . . 36 HIS H . 27531 1 31 . 1 1 7 7 HIS C C 13 177.0 . . 1 . . . . . 36 HIS C . 27531 1 32 . 1 1 7 7 HIS CA C 13 59.07 . . 1 . . . . . 36 HIS CA . 27531 1 33 . 1 1 7 7 HIS CB C 13 29.93 . . 1 . . . . . 36 HIS CB . 27531 1 34 . 1 1 7 7 HIS N N 15 122.2 . . 1 . . . . . 36 HIS N . 27531 1 35 . 1 1 8 8 GLU H H 1 8.48 . . 1 . . . . . 37 GLU H . 27531 1 36 . 1 1 8 8 GLU C C 13 178.0 . . 1 . . . . . 37 GLU C . 27531 1 37 . 1 1 8 8 GLU CA C 13 59.02 . . 1 . . . . . 37 GLU CA . 27531 1 38 . 1 1 8 8 GLU CB C 13 29.50 . . 1 . . . . . 37 GLU CB . 27531 1 39 . 1 1 8 8 GLU N N 15 120.1 . . 1 . . . . . 37 GLU N . 27531 1 40 . 1 1 9 9 GLU H H 1 8.09 . . 1 . . . . . 38 GLU H . 27531 1 41 . 1 1 9 9 GLU C C 13 178.8 . . 1 . . . . . 38 GLU C . 27531 1 42 . 1 1 9 9 GLU CA C 13 59.07 . . 1 . . . . . 38 GLU CA . 27531 1 43 . 1 1 9 9 GLU CB C 13 29.46 . . 1 . . . . . 38 GLU CB . 27531 1 44 . 1 1 9 9 GLU N N 15 120.1 . . 1 . . . . . 38 GLU N . 27531 1 45 . 1 1 11 11 MET C C 13 178.8 . . 1 . . . . . 40 MET C . 27531 1 46 . 1 1 11 11 MET CA C 13 57.04 . . 1 . . . . . 40 MET CA . 27531 1 47 . 1 1 11 11 MET CB C 13 31.23 . . 1 . . . . . 40 MET CB . 27531 1 48 . 1 1 12 12 ASN H H 1 8.63 . . 1 . . . . . 41 ASN H . 27531 1 49 . 1 1 12 12 ASN C C 13 177.2 . . 1 . . . . . 41 ASN C . 27531 1 50 . 1 1 12 12 ASN CA C 13 55.91 . . 1 . . . . . 41 ASN CA . 27531 1 51 . 1 1 12 12 ASN CB C 13 37.40 . . 1 . . . . . 41 ASN CB . 27531 1 52 . 1 1 12 12 ASN N N 15 120.3 . . 1 . . . . . 41 ASN N . 27531 1 53 . 1 1 13 13 ASN H H 1 8.40 . . 1 . . . . . 42 ASN H . 27531 1 54 . 1 1 13 13 ASN C C 13 178.0 . . 1 . . . . . 42 ASN C . 27531 1 55 . 1 1 13 13 ASN CA C 13 56.19 . . 1 . . . . . 42 ASN CA . 27531 1 56 . 1 1 13 13 ASN CB C 13 37.64 . . 1 . . . . . 42 ASN CB . 27531 1 57 . 1 1 13 13 ASN N N 15 120.0 . . 1 . . . . . 42 ASN N . 27531 1 58 . 1 1 14 14 TYR H H 1 7.96 . . 1 . . . . . 43 TYR H . 27531 1 59 . 1 1 14 14 TYR C C 13 176.7 . . 1 . . . . . 43 TYR C . 27531 1 60 . 1 1 14 14 TYR CA C 13 61.57 . . 1 . . . . . 43 TYR CA . 27531 1 61 . 1 1 14 14 TYR CB C 13 37.65 . . 1 . . . . . 43 TYR CB . 27531 1 62 . 1 1 14 14 TYR N N 15 122.6 . . 1 . . . . . 43 TYR N . 27531 1 63 . 1 1 15 15 ARG H H 1 8.57 . . 1 . . . . . 44 ARG H . 27531 1 64 . 1 1 15 15 ARG C C 13 180.2 . . 1 . . . . . 44 ARG C . 27531 1 65 . 1 1 15 15 ARG CA C 13 59.91 . . 1 . . . . . 44 ARG CA . 27531 1 66 . 1 1 15 15 ARG CB C 13 30.59 . . 1 . . . . . 44 ARG CB . 27531 1 67 . 1 1 15 15 ARG N N 15 119.0 . . 1 . . . . . 44 ARG N . 27531 1 68 . 1 1 16 16 LYS H H 1 8.30 . . 1 . . . . . 45 LYS H . 27531 1 69 . 1 1 16 16 LYS C C 13 178.9 . . 1 . . . . . 45 LYS C . 27531 1 70 . 1 1 16 16 LYS CA C 13 59.94 . . 1 . . . . . 45 LYS CA . 27531 1 71 . 1 1 16 16 LYS CB C 13 32.55 . . 1 . . . . . 45 LYS CB . 27531 1 72 . 1 1 16 16 LYS N N 15 119.7 . . 1 . . . . . 45 LYS N . 27531 1 73 . 1 1 17 17 ARG H H 1 7.70 . . 1 . . . . . 46 ARG H . 27531 1 74 . 1 1 17 17 ARG C C 13 179.0 . . 1 . . . . . 46 ARG C . 27531 1 75 . 1 1 17 17 ARG CA C 13 59.72 . . 1 . . . . . 46 ARG CA . 27531 1 76 . 1 1 17 17 ARG CB C 13 30.02 . . 1 . . . . . 46 ARG CB . 27531 1 77 . 1 1 17 17 ARG N N 15 120.9 . . 1 . . . . . 46 ARG N . 27531 1 78 . 1 1 18 18 VAL H H 1 8.50 . . 1 . . . . . 47 VAL H . 27531 1 79 . 1 1 18 18 VAL C C 13 179.5 . . 1 . . . . . 47 VAL C . 27531 1 80 . 1 1 18 18 VAL CA C 13 65.62 . . 1 . . . . . 47 VAL CA . 27531 1 81 . 1 1 18 18 VAL CB C 13 31.12 . . 1 . . . . . 47 VAL CB . 27531 1 82 . 1 1 18 18 VAL N N 15 115.9 . . 1 . . . . . 47 VAL N . 27531 1 83 . 1 1 19 19 GLY H H 1 8.28 . . 1 . . . . . 48 GLY H . 27531 1 84 . 1 1 19 19 GLY C C 13 175.5 . . 1 . . . . . 48 GLY C . 27531 1 85 . 1 1 19 19 GLY CA C 13 47.16 . . 1 . . . . . 48 GLY CA . 27531 1 86 . 1 1 19 19 GLY N N 15 110.9 . . 1 . . . . . 48 GLY N . 27531 1 87 . 1 1 20 20 ARG H H 1 7.82 . . 1 . . . . . 49 ARG H . 27531 1 88 . 1 1 20 20 ARG C C 13 178.8 . . 1 . . . . . 49 ARG C . 27531 1 89 . 1 1 20 20 ARG CA C 13 59.44 . . 1 . . . . . 49 ARG CA . 27531 1 90 . 1 1 20 20 ARG CB C 13 29.81 . . 1 . . . . . 49 ARG CB . 27531 1 91 . 1 1 20 20 ARG N N 15 122.6 . . 1 . . . . . 49 ARG N . 27531 1 92 . 1 1 21 21 LEU H H 1 8.00 . . 1 . . . . . 50 LEU H . 27531 1 93 . 1 1 21 21 LEU C C 13 178.9 . . 1 . . . . . 50 LEU C . 27531 1 94 . 1 1 21 21 LEU CA C 13 58.08 . . 1 . . . . . 50 LEU CA . 27531 1 95 . 1 1 21 21 LEU CB C 13 41.57 . . 1 . . . . . 50 LEU CB . 27531 1 96 . 1 1 21 21 LEU N N 15 119.7 . . 1 . . . . . 50 LEU N . 27531 1 97 . 1 1 22 22 PHE H H 1 7.94 . . 1 . . . . . 51 PHE H . 27531 1 98 . 1 1 22 22 PHE C C 13 176.7 . . 1 . . . . . 51 PHE C . 27531 1 99 . 1 1 22 22 PHE CA C 13 61.24 . . 1 . . . . . 51 PHE CA . 27531 1 100 . 1 1 22 22 PHE CB C 13 38.93 . . 1 . . . . . 51 PHE CB . 27531 1 101 . 1 1 22 22 PHE N N 15 120.1 . . 1 . . . . . 51 PHE N . 27531 1 102 . 1 1 23 23 MET H H 1 7.90 . . 1 . . . . . 52 MET H . 27531 1 103 . 1 1 23 23 MET C C 13 180.5 . . 1 . . . . . 52 MET C . 27531 1 104 . 1 1 23 23 MET CA C 13 55.61 . . 1 . . . . . 52 MET CA . 27531 1 105 . 1 1 23 23 MET CB C 13 28.65 . . 1 . . . . . 52 MET CB . 27531 1 106 . 1 1 23 23 MET N N 15 117.0 . . 1 . . . . . 52 MET N . 27531 1 107 . 1 1 24 24 GLU H H 1 8.62 . . 1 . . . . . 53 GLU H . 27531 1 108 . 1 1 24 24 GLU C C 13 179.6 . . 1 . . . . . 53 GLU C . 27531 1 109 . 1 1 24 24 GLU CA C 13 59.40 . . 1 . . . . . 53 GLU CA . 27531 1 110 . 1 1 24 24 GLU CB C 13 29.49 . . 1 . . . . . 53 GLU CB . 27531 1 111 . 1 1 24 24 GLU N N 15 121.2 . . 1 . . . . . 53 GLU N . 27531 1 112 . 1 1 25 25 GLN H H 1 8.22 . . 1 . . . . . 54 GLN H . 27531 1 113 . 1 1 25 25 GLN C C 13 179.8 . . 1 . . . . . 54 GLN C . 27531 1 114 . 1 1 25 25 GLN CA C 13 58.72 . . 1 . . . . . 54 GLN CA . 27531 1 115 . 1 1 25 25 GLN CB C 13 27.94 . . 1 . . . . . 54 GLN CB . 27531 1 116 . 1 1 25 25 GLN N N 15 119.7 . . 1 . . . . . 54 GLN N . 27531 1 117 . 1 1 26 26 LYS H H 1 7.89 . . 1 . . . . . 55 LYS H . 27531 1 118 . 1 1 26 26 LYS C C 13 179.3 . . 1 . . . . . 55 LYS C . 27531 1 119 . 1 1 26 26 LYS CA C 13 55.85 . . 1 . . . . . 55 LYS CA . 27531 1 120 . 1 1 26 26 LYS CB C 13 29.41 . . 1 . . . . . 55 LYS CB . 27531 1 121 . 1 1 26 26 LYS N N 15 117.2 . . 1 . . . . . 55 LYS N . 27531 1 122 . 1 1 27 27 ALA H H 1 7.85 . . 1 . . . . . 56 ALA H . 27531 1 123 . 1 1 27 27 ALA C C 13 176.8 . . 1 . . . . . 56 ALA C . 27531 1 124 . 1 1 27 27 ALA CA C 13 53.49 . . 1 . . . . . 56 ALA CA . 27531 1 125 . 1 1 27 27 ALA CB C 13 18.20 . . 1 . . . . . 56 ALA CB . 27531 1 126 . 1 1 27 27 ALA N N 15 118.9 . . 1 . . . . . 56 ALA N . 27531 1 127 . 1 1 28 28 ALA H H 1 7.04 . . 1 . . . . . 57 ALA H . 27531 1 128 . 1 1 28 28 ALA C C 13 178.0 . . 1 . . . . . 57 ALA C . 27531 1 129 . 1 1 28 28 ALA CA C 13 51.89 . . 1 . . . . . 57 ALA CA . 27531 1 130 . 1 1 28 28 ALA CB C 13 18.42 . . 1 . . . . . 57 ALA CB . 27531 1 131 . 1 1 28 28 ALA N N 15 117.2 . . 1 . . . . . 57 ALA N . 27531 1 132 . 1 1 29 29 GLN H H 1 7.01 . . 1 . . . . . 58 GLN H . 27531 1 133 . 1 1 29 29 GLN C C 13 175.7 . . 1 . . . . . 58 GLN C . 27531 1 134 . 1 1 29 29 GLN CA C 13 54.70 . . 1 . . . . . 58 GLN CA . 27531 1 135 . 1 1 29 29 GLN CB C 13 29.36 . . 1 . . . . . 58 GLN CB . 27531 1 136 . 1 1 29 29 GLN N N 15 119.0 . . 1 . . . . . 58 GLN N . 27531 1 137 . 1 1 30 30 PRO C C 13 176.4 . . 1 . . . . . 59 PRO C . 27531 1 138 . 1 1 30 30 PRO CA C 13 64.94 . . 1 . . . . . 59 PRO CA . 27531 1 139 . 1 1 30 30 PRO CB C 13 31.61 . . 1 . . . . . 59 PRO CB . 27531 1 140 . 1 1 31 31 ASP H H 1 8.45 . . 1 . . . . . 60 ASP H . 27531 1 141 . 1 1 31 31 ASP C C 13 175.1 . . 1 . . . . . 60 ASP C . 27531 1 142 . 1 1 31 31 ASP CA C 13 52.81 . . 1 . . . . . 60 ASP CA . 27531 1 143 . 1 1 31 31 ASP CB C 13 39.63 . . 1 . . . . . 60 ASP CB . 27531 1 144 . 1 1 31 31 ASP N N 15 114.4 . . 1 . . . . . 60 ASP N . 27531 1 145 . 1 1 32 32 ALA H H 1 7.44 . . 1 . . . . . 61 ALA H . 27531 1 146 . 1 1 32 32 ALA C C 13 176.9 . . 1 . . . . . 61 ALA C . 27531 1 147 . 1 1 32 32 ALA CA C 13 51.25 . . 1 . . . . . 61 ALA CA . 27531 1 148 . 1 1 32 32 ALA CB C 13 20.67 . . 1 . . . . . 61 ALA CB . 27531 1 149 . 1 1 32 32 ALA N N 15 122.8 . . 1 . . . . . 61 ALA N . 27531 1 150 . 1 1 33 33 VAL H H 1 8.65 . . 1 . . . . . 62 VAL H . 27531 1 151 . 1 1 33 33 VAL C C 13 173.0 . . 1 . . . . . 62 VAL C . 27531 1 152 . 1 1 33 33 VAL CA C 13 61.28 . . 1 . . . . . 62 VAL CA . 27531 1 153 . 1 1 33 33 VAL CB C 13 32.76 . . 1 . . . . . 62 VAL CB . 27531 1 154 . 1 1 33 33 VAL N N 15 124.3 . . 1 . . . . . 62 VAL N . 27531 1 155 . 1 1 34 34 LYS H H 1 8.28 . . 1 . . . . . 63 LYS H . 27531 1 156 . 1 1 34 34 LYS C C 13 176.0 . . 1 . . . . . 63 LYS C . 27531 1 157 . 1 1 34 34 LYS CA C 13 54.37 . . 1 . . . . . 63 LYS CA . 27531 1 158 . 1 1 34 34 LYS CB C 13 34.55 . . 1 . . . . . 63 LYS CB . 27531 1 159 . 1 1 34 34 LYS N N 15 126.6 . . 1 . . . . . 63 LYS N . 27531 1 160 . 1 1 35 35 LEU H H 1 9.03 . . 1 . . . . . 64 LEU H . 27531 1 161 . 1 1 35 35 LEU C C 13 177.1 . . 1 . . . . . 64 LEU C . 27531 1 162 . 1 1 35 35 LEU CA C 13 53.06 . . 1 . . . . . 64 LEU CA . 27531 1 163 . 1 1 35 35 LEU CB C 13 40.25 . . 1 . . . . . 64 LEU CB . 27531 1 164 . 1 1 35 35 LEU N N 15 127.5 . . 1 . . . . . 64 LEU N . 27531 1 165 . 1 1 36 36 PRO C C 13 177.6 . . 1 . . . . . 65 PRO C . 27531 1 166 . 1 1 36 36 PRO CA C 13 65.64 . . 1 . . . . . 65 PRO CA . 27531 1 167 . 1 1 36 36 PRO CB C 13 31.59 . . 1 . . . . . 65 PRO CB . 27531 1 168 . 1 1 37 37 SER H H 1 8.36 . . 1 . . . . . 66 SER H . 27531 1 169 . 1 1 37 37 SER C C 13 175.5 . . 1 . . . . . 66 SER C . 27531 1 170 . 1 1 37 37 SER CA C 13 59.03 . . 1 . . . . . 66 SER CA . 27531 1 171 . 1 1 37 37 SER CB C 13 62.81 . . 1 . . . . . 66 SER CB . 27531 1 172 . 1 1 37 37 SER N N 15 111.7 . . 1 . . . . . 66 SER N . 27531 1 173 . 1 1 38 38 GLY H H 1 8.33 . . 1 . . . . . 67 GLY H . 27531 1 174 . 1 1 38 38 GLY C C 13 173.4 . . 1 . . . . . 67 GLY C . 27531 1 175 . 1 1 38 38 GLY CA C 13 44.12 . . 1 . . . . . 67 GLY CA . 27531 1 176 . 1 1 38 38 GLY N N 15 109.5 . . 1 . . . . . 67 GLY N . 27531 1 177 . 1 1 39 39 LEU H H 1 7.51 . . 1 . . . . . 68 LEU H . 27531 1 178 . 1 1 39 39 LEU C C 13 174.2 . . 1 . . . . . 68 LEU C . 27531 1 179 . 1 1 39 39 LEU CA C 13 56.78 . . 1 . . . . . 68 LEU CA . 27531 1 180 . 1 1 39 39 LEU CB C 13 43.36 . . 1 . . . . . 68 LEU CB . 27531 1 181 . 1 1 39 39 LEU N N 15 121.6 . . 1 . . . . . 68 LEU N . 27531 1 182 . 1 1 40 40 VAL H H 1 8.19 . . 1 . . . . . 69 VAL H . 27531 1 183 . 1 1 40 40 VAL C C 13 174.5 . . 1 . . . . . 69 VAL C . 27531 1 184 . 1 1 40 40 VAL CA C 13 59.66 . . 1 . . . . . 69 VAL CA . 27531 1 185 . 1 1 40 40 VAL CB C 13 35.15 . . 1 . . . . . 69 VAL CB . 27531 1 186 . 1 1 40 40 VAL N N 15 125.4 . . 1 . . . . . 69 VAL N . 27531 1 187 . 1 1 41 41 PHE H H 1 9.09 . . 1 . . . . . 70 PHE H . 27531 1 188 . 1 1 41 41 PHE C C 13 173.4 . . 1 . . . . . 70 PHE C . 27531 1 189 . 1 1 41 41 PHE CA C 13 55.46 . . 1 . . . . . 70 PHE CA . 27531 1 190 . 1 1 41 41 PHE CB C 13 44.13 . . 1 . . . . . 70 PHE CB . 27531 1 191 . 1 1 41 41 PHE N N 15 121.9 . . 1 . . . . . 70 PHE N . 27531 1 192 . 1 1 42 42 GLN H H 1 9.22 . . 1 . . . . . 71 GLN H . 27531 1 193 . 1 1 42 42 GLN C C 13 175.4 . . 1 . . . . . 71 GLN C . 27531 1 194 . 1 1 42 42 GLN CA C 13 54.09 . . 1 . . . . . 71 GLN CA . 27531 1 195 . 1 1 42 42 GLN CB C 13 34.06 . . 1 . . . . . 71 GLN CB . 27531 1 196 . 1 1 42 42 GLN N N 15 116.9 . . 1 . . . . . 71 GLN N . 27531 1 197 . 1 1 43 43 ARG H H 1 9.09 . . 1 . . . . . 72 ARG H . 27531 1 198 . 1 1 43 43 ARG C C 13 175.9 . . 1 . . . . . 72 ARG C . 27531 1 199 . 1 1 43 43 ARG CA C 13 57.46 . . 1 . . . . . 72 ARG CA . 27531 1 200 . 1 1 43 43 ARG CB C 13 30.43 . . 1 . . . . . 72 ARG CB . 27531 1 201 . 1 1 43 43 ARG N N 15 123.4 . . 1 . . . . . 72 ARG N . 27531 1 202 . 1 1 44 44 ILE H H 1 9.12 . . 1 . . . . . 73 ILE H . 27531 1 203 . 1 1 44 44 ILE C C 13 176.0 . . 1 . . . . . 73 ILE C . 27531 1 204 . 1 1 44 44 ILE CA C 13 63.29 . . 1 . . . . . 73 ILE CA . 27531 1 205 . 1 1 44 44 ILE CB C 13 38.71 . . 1 . . . . . 73 ILE CB . 27531 1 206 . 1 1 44 44 ILE N N 15 126.0 . . 1 . . . . . 73 ILE N . 27531 1 207 . 1 1 45 45 ALA H H 1 8.96 . . 1 . . . . . 74 ALA H . 27531 1 208 . 1 1 45 45 ALA C C 13 176.4 . . 1 . . . . . 74 ALA C . 27531 1 209 . 1 1 45 45 ALA CA C 13 51.57 . . 1 . . . . . 74 ALA CA . 27531 1 210 . 1 1 45 45 ALA CB C 13 22.69 . . 1 . . . . . 74 ALA CB . 27531 1 211 . 1 1 45 45 ALA N N 15 121.2 . . 1 . . . . . 74 ALA N . 27531 1 212 . 1 1 46 46 ARG H H 1 8.84 . . 1 . . . . . 75 ARG H . 27531 1 213 . 1 1 46 46 ARG C C 13 176.7 . . 1 . . . . . 75 ARG C . 27531 1 214 . 1 1 46 46 ARG CA C 13 54.99 . . 1 . . . . . 75 ARG CA . 27531 1 215 . 1 1 46 46 ARG CB C 13 31.32 . . 1 . . . . . 75 ARG CB . 27531 1 216 . 1 1 46 46 ARG N N 15 122.7 . . 1 . . . . . 75 ARG N . 27531 1 217 . 1 1 47 47 GLY H H 1 9.91 . . 1 . . . . . 76 GLY H . 27531 1 218 . 1 1 47 47 GLY C C 13 173.8 . . 1 . . . . . 76 GLY C . 27531 1 219 . 1 1 47 47 GLY CA C 13 44.18 . . 1 . . . . . 76 GLY CA . 27531 1 220 . 1 1 47 47 GLY N N 15 114.2 . . 1 . . . . . 76 GLY N . 27531 1 221 . 1 1 48 48 SER H H 1 8.48 . . 1 . . . . . 77 SER H . 27531 1 222 . 1 1 48 48 SER C C 13 175.7 . . 1 . . . . . 77 SER C . 27531 1 223 . 1 1 48 48 SER CA C 13 57.80 . . 1 . . . . . 77 SER CA . 27531 1 224 . 1 1 48 48 SER CB C 13 64.28 . . 1 . . . . . 77 SER CB . 27531 1 225 . 1 1 48 48 SER N N 15 112.8 . . 1 . . . . . 77 SER N . 27531 1 226 . 1 1 49 49 GLY H H 1 8.33 . . 1 . . . . . 78 GLY H . 27531 1 227 . 1 1 49 49 GLY C C 13 173.5 . . 1 . . . . . 78 GLY C . 27531 1 228 . 1 1 49 49 GLY CA C 13 46.45 . . 1 . . . . . 78 GLY CA . 27531 1 229 . 1 1 49 49 GLY N N 15 109.9 . . 1 . . . . . 78 GLY N . 27531 1 230 . 1 1 50 50 LYS H H 1 8.61 . . 1 . . . . . 79 LYS H . 27531 1 231 . 1 1 50 50 LYS C C 13 177.0 . . 1 . . . . . 79 LYS C . 27531 1 232 . 1 1 50 50 LYS CA C 13 56.38 . . 1 . . . . . 79 LYS CA . 27531 1 233 . 1 1 50 50 LYS CB C 13 33.52 . . 1 . . . . . 79 LYS CB . 27531 1 234 . 1 1 50 50 LYS N N 15 118.0 . . 1 . . . . . 79 LYS N . 27531 1 235 . 1 1 51 51 ARG H H 1 7.92 . . 1 . . . . . 80 ARG H . 27531 1 236 . 1 1 51 51 ARG C C 13 172.9 . . 1 . . . . . 80 ARG C . 27531 1 237 . 1 1 51 51 ARG CA C 13 54.36 . . 1 . . . . . 80 ARG CA . 27531 1 238 . 1 1 51 51 ARG CB C 13 34.38 . . 1 . . . . . 80 ARG CB . 27531 1 239 . 1 1 51 51 ARG N N 15 120.5 . . 1 . . . . . 80 ARG N . 27531 1 240 . 1 1 52 52 ALA H H 1 8.96 . . 1 . . . . . 81 ALA H . 27531 1 241 . 1 1 52 52 ALA C C 13 175.5 . . 1 . . . . . 81 ALA C . 27531 1 242 . 1 1 52 52 ALA CA C 13 49.42 . . 1 . . . . . 81 ALA CA . 27531 1 243 . 1 1 52 52 ALA CB C 13 21.06 . . 1 . . . . . 81 ALA CB . 27531 1 244 . 1 1 52 52 ALA N N 15 127.8 . . 1 . . . . . 81 ALA N . 27531 1 245 . 1 1 53 53 PRO C C 13 179.3 . . 1 . . . . . 82 PRO C . 27531 1 246 . 1 1 53 53 PRO CA C 13 62.04 . . 1 . . . . . 82 PRO CA . 27531 1 247 . 1 1 53 53 PRO CB C 13 32.51 . . 1 . . . . . 82 PRO CB . 27531 1 248 . 1 1 54 54 ALA H H 1 9.91 . . 1 . . . . . 83 ALA H . 27531 1 249 . 1 1 54 54 ALA C C 13 178.5 . . 1 . . . . . 83 ALA C . 27531 1 250 . 1 1 54 54 ALA CA C 13 50.54 . . 1 . . . . . 83 ALA CA . 27531 1 251 . 1 1 54 54 ALA CB C 13 20.26 . . 1 . . . . . 83 ALA CB . 27531 1 252 . 1 1 54 54 ALA N N 15 126.0 . . 1 . . . . . 83 ALA N . 27531 1 253 . 1 1 55 55 ILE H H 1 8.37 . . 1 . . . . . 84 ILE H . 27531 1 254 . 1 1 55 55 ILE C C 13 172.6 . . 1 . . . . . 84 ILE C . 27531 1 255 . 1 1 55 55 ILE CA C 13 62.81 . . 1 . . . . . 84 ILE CA . 27531 1 256 . 1 1 55 55 ILE CB C 13 38.56 . . 1 . . . . . 84 ILE CB . 27531 1 257 . 1 1 55 55 ILE N N 15 118.1 . . 1 . . . . . 84 ILE N . 27531 1 258 . 1 1 56 56 ASP H H 1 7.83 . . 1 . . . . . 85 ASP H . 27531 1 259 . 1 1 56 56 ASP C C 13 176.8 . . 1 . . . . . 85 ASP C . 27531 1 260 . 1 1 56 56 ASP CA C 13 51.23 . . 1 . . . . . 85 ASP CA . 27531 1 261 . 1 1 56 56 ASP CB C 13 40.60 . . 1 . . . . . 85 ASP CB . 27531 1 262 . 1 1 56 56 ASP N N 15 113.7 . . 1 . . . . . 85 ASP N . 27531 1 263 . 1 1 57 57 ASP H H 1 7.29 . . 1 . . . . . 86 ASP H . 27531 1 264 . 1 1 57 57 ASP C C 13 175.2 . . 1 . . . . . 86 ASP C . 27531 1 265 . 1 1 57 57 ASP CA C 13 51.23 . . 1 . . . . . 86 ASP CA . 27531 1 266 . 1 1 57 57 ASP CB C 13 42.50 . . 1 . . . . . 86 ASP CB . 27531 1 267 . 1 1 57 57 ASP N N 15 121.6 . . 1 . . . . . 86 ASP N . 27531 1 268 . 1 1 58 58 LYS H H 1 8.57 . . 1 . . . . . 87 LYS H . 27531 1 269 . 1 1 58 58 LYS C C 13 175.0 . . 1 . . . . . 87 LYS C . 27531 1 270 . 1 1 58 58 LYS CA C 13 57.48 . . 1 . . . . . 87 LYS CA . 27531 1 271 . 1 1 58 58 LYS CB C 13 33.05 . . 1 . . . . . 87 LYS CB . 27531 1 272 . 1 1 58 58 LYS N N 15 119.1 . . 1 . . . . . 87 LYS N . 27531 1 273 . 1 1 59 59 CYS H H 1 8.71 . . 1 . . . . . 88 CYS H . 27531 1 274 . 1 1 59 59 CYS C C 13 172.2 . . 1 . . . . . 88 CYS C . 27531 1 275 . 1 1 59 59 CYS CA C 13 58.26 . . 1 . . . . . 88 CYS CA . 27531 1 276 . 1 1 59 59 CYS CB C 13 29.79 . . 1 . . . . . 88 CYS CB . 27531 1 277 . 1 1 59 59 CYS N N 15 123.6 . . 1 . . . . . 88 CYS N . 27531 1 278 . 1 1 60 60 GLU H H 1 8.97 . . 1 . . . . . 89 GLU H . 27531 1 279 . 1 1 60 60 GLU C C 13 175.6 . . 1 . . . . . 89 GLU C . 27531 1 280 . 1 1 60 60 GLU CA C 13 55.28 . . 1 . . . . . 89 GLU CA . 27531 1 281 . 1 1 60 60 GLU CB C 13 30.91 . . 1 . . . . . 89 GLU CB . 27531 1 282 . 1 1 60 60 GLU N N 15 124.2 . . 1 . . . . . 89 GLU N . 27531 1 283 . 1 1 61 61 VAL H H 1 9.10 . . 1 . . . . . 90 VAL H . 27531 1 284 . 1 1 61 61 VAL C C 13 175.1 . . 1 . . . . . 90 VAL C . 27531 1 285 . 1 1 61 61 VAL CA C 13 59.86 . . 1 . . . . . 90 VAL CA . 27531 1 286 . 1 1 61 61 VAL CB C 13 36.36 . . 1 . . . . . 90 VAL CB . 27531 1 287 . 1 1 61 61 VAL N N 15 123.6 . . 1 . . . . . 90 VAL N . 27531 1 288 . 1 1 62 62 HIS H H 1 8.76 . . 1 . . . . . 91 HIS H . 27531 1 289 . 1 1 62 62 HIS C C 13 176.9 . . 1 . . . . . 91 HIS C . 27531 1 290 . 1 1 62 62 HIS CA C 13 53.24 . . 1 . . . . . 91 HIS CA . 27531 1 291 . 1 1 62 62 HIS CB C 13 35.12 . . 1 . . . . . 91 HIS CB . 27531 1 292 . 1 1 62 62 HIS N N 15 123.3 . . 1 . . . . . 91 HIS N . 27531 1 293 . 1 1 63 63 TYR H H 1 10.11 . . 1 . . . . . 92 TYR H . 27531 1 294 . 1 1 63 63 TYR C C 13 173.8 . . 1 . . . . . 92 TYR C . 27531 1 295 . 1 1 63 63 TYR CA C 13 56.17 . . 1 . . . . . 92 TYR CA . 27531 1 296 . 1 1 63 63 TYR CB C 13 43.60 . . 1 . . . . . 92 TYR CB . 27531 1 297 . 1 1 63 63 TYR N N 15 120.2 . . 1 . . . . . 92 TYR N . 27531 1 298 . 1 1 64 64 THR H H 1 8.55 . . 1 . . . . . 93 THR H . 27531 1 299 . 1 1 64 64 THR C C 13 172.8 . . 1 . . . . . 93 THR C . 27531 1 300 . 1 1 64 64 THR CA C 13 63.18 . . 1 . . . . . 93 THR CA . 27531 1 301 . 1 1 64 64 THR CB C 13 73.19 . . 1 . . . . . 93 THR CB . 27531 1 302 . 1 1 64 64 THR N N 15 116.1 . . 1 . . . . . 93 THR N . 27531 1 303 . 1 1 65 65 GLY H H 1 9.37 . . 1 . . . . . 94 GLY H . 27531 1 304 . 1 1 65 65 GLY C C 13 171.2 . . 1 . . . . . 94 GLY C . 27531 1 305 . 1 1 65 65 GLY CA C 13 45.12 . . 1 . . . . . 94 GLY CA . 27531 1 306 . 1 1 65 65 GLY N N 15 117.4 . . 1 . . . . . 94 GLY N . 27531 1 307 . 1 1 66 66 ARG H H 1 9.54 . . 1 . . . . . 95 ARG H . 27531 1 308 . 1 1 66 66 ARG C C 13 176.0 . . 1 . . . . . 95 ARG C . 27531 1 309 . 1 1 66 66 ARG CA C 13 54.09 . . 1 . . . . . 95 ARG CA . 27531 1 310 . 1 1 66 66 ARG CB C 13 35.73 . . 1 . . . . . 95 ARG CB . 27531 1 311 . 1 1 66 66 ARG N N 15 124.8 . . 1 . . . . . 95 ARG N . 27531 1 312 . 1 1 67 67 LEU H H 1 8.56 . . 1 . . . . . 96 LEU H . 27531 1 313 . 1 1 67 67 LEU C C 13 179.9 . . 1 . . . . . 96 LEU C . 27531 1 314 . 1 1 67 67 LEU CA C 13 53.78 . . 1 . . . . . 96 LEU CA . 27531 1 315 . 1 1 67 67 LEU CB C 13 43.23 . . 1 . . . . . 96 LEU CB . 27531 1 316 . 1 1 67 67 LEU N N 15 118.2 . . 1 . . . . . 96 LEU N . 27531 1 317 . 1 1 68 68 ARG H H 1 9.58 . . 1 . . . . . 97 ARG H . 27531 1 318 . 1 1 68 68 ARG C C 13 175.5 . . 1 . . . . . 97 ARG C . 27531 1 319 . 1 1 68 68 ARG CA C 13 58.19 . . 1 . . . . . 97 ARG CA . 27531 1 320 . 1 1 68 68 ARG CB C 13 28.91 . . 1 . . . . . 97 ARG CB . 27531 1 321 . 1 1 68 68 ARG N N 15 120.5 . . 1 . . . . . 97 ARG N . 27531 1 322 . 1 1 69 69 ASP H H 1 7.42 . . 1 . . . . . 98 ASP H . 27531 1 323 . 1 1 69 69 ASP C C 13 177.0 . . 1 . . . . . 98 ASP C . 27531 1 324 . 1 1 69 69 ASP CA C 13 52.96 . . 1 . . . . . 98 ASP CA . 27531 1 325 . 1 1 69 69 ASP CB C 13 40.27 . . 1 . . . . . 98 ASP CB . 27531 1 326 . 1 1 69 69 ASP N N 15 115.9 . . 1 . . . . . 98 ASP N . 27531 1 327 . 1 1 70 70 GLY H H 1 8.19 . . 1 . . . . . 99 GLY H . 27531 1 328 . 1 1 70 70 GLY C C 13 174.5 . . 1 . . . . . 99 GLY C . 27531 1 329 . 1 1 70 70 GLY CA C 13 44.96 . . 1 . . . . . 99 GLY CA . 27531 1 330 . 1 1 70 70 GLY N N 15 108.7 . . 1 . . . . . 99 GLY N . 27531 1 331 . 1 1 71 71 THR H H 1 8.09 . . 1 . . . . . 100 THR H . 27531 1 332 . 1 1 71 71 THR C C 13 174.4 . . 1 . . . . . 100 THR C . 27531 1 333 . 1 1 71 71 THR CA C 13 64.58 . . 1 . . . . . 100 THR CA . 27531 1 334 . 1 1 71 71 THR CB C 13 69.28 . . 1 . . . . . 100 THR CB . 27531 1 335 . 1 1 71 71 THR N N 15 118.5 . . 1 . . . . . 100 THR N . 27531 1 336 . 1 1 72 72 VAL H H 1 8.86 . . 1 . . . . . 101 VAL H . 27531 1 337 . 1 1 72 72 VAL C C 13 176.3 . . 1 . . . . . 101 VAL C . 27531 1 338 . 1 1 72 72 VAL CA C 13 62.53 . . 1 . . . . . 101 VAL CA . 27531 1 339 . 1 1 72 72 VAL CB C 13 32.34 . . 1 . . . . . 101 VAL CB . 27531 1 340 . 1 1 72 72 VAL N N 15 128.8 . . 1 . . . . . 101 VAL N . 27531 1 341 . 1 1 73 73 PHE H H 1 8.25 . . 1 . . . . . 102 PHE H . 27531 1 342 . 1 1 73 73 PHE C C 13 174.7 . . 1 . . . . . 102 PHE C . 27531 1 343 . 1 1 73 73 PHE CA C 13 57.10 . . 1 . . . . . 102 PHE CA . 27531 1 344 . 1 1 73 73 PHE CB C 13 40.69 . . 1 . . . . . 102 PHE CB . 27531 1 345 . 1 1 73 73 PHE N N 15 124.0 . . 1 . . . . . 102 PHE N . 27531 1 346 . 1 1 74 74 ASP H H 1 6.64 . . 1 . . . . . 103 ASP H . 27531 1 347 . 1 1 74 74 ASP C C 13 174.6 . . 1 . . . . . 103 ASP C . 27531 1 348 . 1 1 74 74 ASP CA C 13 54.99 . . 1 . . . . . 103 ASP CA . 27531 1 349 . 1 1 74 74 ASP CB C 13 43.57 . . 1 . . . . . 103 ASP CB . 27531 1 350 . 1 1 74 74 ASP N N 15 119.8 . . 1 . . . . . 103 ASP N . 27531 1 351 . 1 1 75 75 SER H H 1 8.26 . . 1 . . . . . 104 SER H . 27531 1 352 . 1 1 75 75 SER CA C 13 56.44 . . 1 . . . . . 104 SER CA . 27531 1 353 . 1 1 75 75 SER CB C 13 64.00 . . 1 . . . . . 104 SER CB . 27531 1 354 . 1 1 75 75 SER N N 15 119.1 . . 1 . . . . . 104 SER N . 27531 1 355 . 1 1 77 77 ARG H H 1 7.43 . . 1 . . . . . 106 ARG H . 27531 1 356 . 1 1 77 77 ARG C C 13 179.5 . . 1 . . . . . 106 ARG C . 27531 1 357 . 1 1 77 77 ARG CA C 13 59.35 . . 1 . . . . . 106 ARG CA . 27531 1 358 . 1 1 77 77 ARG CB C 13 28.90 . . 1 . . . . . 106 ARG CB . 27531 1 359 . 1 1 77 77 ARG N N 15 123.6 . . 1 . . . . . 106 ARG N . 27531 1 360 . 1 1 78 78 GLU H H 1 7.71 . . 1 . . . . . 107 GLU H . 27531 1 361 . 1 1 78 78 GLU C C 13 177.7 . . 1 . . . . . 107 GLU C . 27531 1 362 . 1 1 78 78 GLU CA C 13 58.13 . . 1 . . . . . 107 GLU CA . 27531 1 363 . 1 1 78 78 GLU CB C 13 29.42 . . 1 . . . . . 107 GLU CB . 27531 1 364 . 1 1 78 78 GLU N N 15 118.6 . . 1 . . . . . 107 GLU N . 27531 1 365 . 1 1 79 79 ARG H H 1 7.22 . . 1 . . . . . 108 ARG H . 27531 1 366 . 1 1 79 79 ARG C C 13 177.7 . . 1 . . . . . 108 ARG C . 27531 1 367 . 1 1 79 79 ARG CA C 13 57.79 . . 1 . . . . . 108 ARG CA . 27531 1 368 . 1 1 79 79 ARG CB C 13 31.54 . . 1 . . . . . 108 ARG CB . 27531 1 369 . 1 1 79 79 ARG N N 15 116.6 . . 1 . . . . . 108 ARG N . 27531 1 370 . 1 1 80 80 GLY H H 1 7.81 . . 1 . . . . . 109 GLY H . 27531 1 371 . 1 1 80 80 GLY C C 13 173.4 . . 1 . . . . . 109 GLY C . 27531 1 372 . 1 1 80 80 GLY CA C 13 45.63 . . 1 . . . . . 109 GLY CA . 27531 1 373 . 1 1 80 80 GLY N N 15 105.9 . . 1 . . . . . 109 GLY N . 27531 1 374 . 1 1 81 81 LYS H H 1 7.50 . . 1 . . . . . 110 LYS H . 27531 1 375 . 1 1 81 81 LYS C C 13 172.4 . . 1 . . . . . 110 LYS C . 27531 1 376 . 1 1 81 81 LYS CA C 13 53.43 . . 1 . . . . . 110 LYS CA . 27531 1 377 . 1 1 81 81 LYS CB C 13 34.08 . . 1 . . . . . 110 LYS CB . 27531 1 378 . 1 1 81 81 LYS N N 15 118.0 . . 1 . . . . . 110 LYS N . 27531 1 379 . 1 1 82 82 PRO C C 13 175.8 . . 1 . . . . . 111 PRO C . 27531 1 380 . 1 1 82 82 PRO CA C 13 62.45 . . 1 . . . . . 111 PRO CA . 27531 1 381 . 1 1 82 82 PRO CB C 13 32.30 . . 1 . . . . . 111 PRO CB . 27531 1 382 . 1 1 83 83 THR H H 1 8.59 . . 1 . . . . . 112 THR H . 27531 1 383 . 1 1 83 83 THR C C 13 172.6 . . 1 . . . . . 112 THR C . 27531 1 384 . 1 1 83 83 THR CA C 13 61.46 . . 1 . . . . . 112 THR CA . 27531 1 385 . 1 1 83 83 THR CB C 13 71.23 . . 1 . . . . . 112 THR CB . 27531 1 386 . 1 1 83 83 THR N N 15 117.0 . . 1 . . . . . 112 THR N . 27531 1 387 . 1 1 84 84 THR H H 1 8.27 . . 1 . . . . . 113 THR H . 27531 1 388 . 1 1 84 84 THR C C 13 174.0 . . 1 . . . . . 113 THR C . 27531 1 389 . 1 1 84 84 THR CA C 13 60.69 . . 1 . . . . . 113 THR CA . 27531 1 390 . 1 1 84 84 THR CB C 13 70.09 . . 1 . . . . . 113 THR CB . 27531 1 391 . 1 1 84 84 THR N N 15 120.1 . . 1 . . . . . 113 THR N . 27531 1 392 . 1 1 92 92 LYS C C 13 180.2 . . 1 . . . . . 121 LYS C . 27531 1 393 . 1 1 92 92 LYS CA C 13 60.26 . . 1 . . . . . 121 LYS CA . 27531 1 394 . 1 1 93 93 GLY H H 1 9.86 . . 1 . . . . . 122 GLY H . 27531 1 395 . 1 1 93 93 GLY C C 13 173.9 . . 1 . . . . . 122 GLY C . 27531 1 396 . 1 1 93 93 GLY CA C 13 48.03 . . 1 . . . . . 122 GLY CA . 27531 1 397 . 1 1 93 93 GLY N N 15 105.4 . . 1 . . . . . 122 GLY N . 27531 1 398 . 1 1 94 94 TRP H H 1 7.65 . . 1 . . . . . 123 TRP H . 27531 1 399 . 1 1 94 94 TRP C C 13 177.4 . . 1 . . . . . 123 TRP C . 27531 1 400 . 1 1 94 94 TRP CA C 13 58.11 . . 1 . . . . . 123 TRP CA . 27531 1 401 . 1 1 94 94 TRP CB C 13 29.96 . . 1 . . . . . 123 TRP CB . 27531 1 402 . 1 1 94 94 TRP N N 15 121.6 . . 1 . . . . . 123 TRP N . 27531 1 403 . 1 1 95 95 THR H H 1 8.88 . . 1 . . . . . 124 THR H . 27531 1 404 . 1 1 95 95 THR CA C 13 67.84 . . 1 . . . . . 124 THR CA . 27531 1 405 . 1 1 95 95 THR CB C 13 68.91 . . 1 . . . . . 124 THR CB . 27531 1 406 . 1 1 95 95 THR N N 15 119.3 . . 1 . . . . . 124 THR N . 27531 1 407 . 1 1 97 97 ALA H H 1 7.52 . . 1 . . . . . 126 ALA H . 27531 1 408 . 1 1 97 97 ALA C C 13 179.3 . . 1 . . . . . 126 ALA C . 27531 1 409 . 1 1 97 97 ALA CA C 13 55.33 . . 1 . . . . . 126 ALA CA . 27531 1 410 . 1 1 97 97 ALA CB C 13 20.21 . . 1 . . . . . 126 ALA CB . 27531 1 411 . 1 1 97 97 ALA N N 15 119.0 . . 1 . . . . . 126 ALA N . 27531 1 412 . 1 1 98 98 LEU H H 1 8.64 . . 1 . . . . . 127 LEU H . 27531 1 413 . 1 1 98 98 LEU C C 13 177.7 . . 1 . . . . . 127 LEU C . 27531 1 414 . 1 1 98 98 LEU CA C 13 58.16 . . 1 . . . . . 127 LEU CA . 27531 1 415 . 1 1 98 98 LEU CB C 13 41.57 . . 1 . . . . . 127 LEU CB . 27531 1 416 . 1 1 98 98 LEU N N 15 114.7 . . 1 . . . . . 127 LEU N . 27531 1 417 . 1 1 99 99 GLN H H 1 6.68 . . 1 . . . . . 128 GLN H . 27531 1 418 . 1 1 99 99 GLN C C 13 175.9 . . 1 . . . . . 128 GLN C . 27531 1 419 . 1 1 99 99 GLN CA C 13 57.71 . . 1 . . . . . 128 GLN CA . 27531 1 420 . 1 1 99 99 GLN CB C 13 31.77 . . 1 . . . . . 128 GLN CB . 27531 1 421 . 1 1 99 99 GLN N N 15 108.1 . . 1 . . . . . 128 GLN N . 27531 1 422 . 1 1 100 100 LEU H H 1 7.90 . . 1 . . . . . 129 LEU H . 27531 1 423 . 1 1 100 100 LEU C C 13 172.4 . . 1 . . . . . 129 LEU C . 27531 1 424 . 1 1 100 100 LEU CA C 13 53.86 . . 1 . . . . . 129 LEU CA . 27531 1 425 . 1 1 100 100 LEU CB C 13 44.23 . . 1 . . . . . 129 LEU CB . 27531 1 426 . 1 1 100 100 LEU N N 15 122.7 . . 1 . . . . . 129 LEU N . 27531 1 427 . 1 1 101 101 MET H H 1 7.07 . . 1 . . . . . 130 MET H . 27531 1 428 . 1 1 101 101 MET C C 13 171.9 . . 1 . . . . . 130 MET C . 27531 1 429 . 1 1 101 101 MET CA C 13 55.31 . . 1 . . . . . 130 MET CA . 27531 1 430 . 1 1 101 101 MET CB C 13 37.08 . . 1 . . . . . 130 MET CB . 27531 1 431 . 1 1 101 101 MET N N 15 119.5 . . 1 . . . . . 130 MET N . 27531 1 432 . 1 1 102 102 ARG H H 1 8.71 . . 1 . . . . . 131 ARG H . 27531 1 433 . 1 1 102 102 ARG C C 13 176.2 . . 1 . . . . . 131 ARG C . 27531 1 434 . 1 1 102 102 ARG CA C 13 52.50 . . 1 . . . . . 131 ARG CA . 27531 1 435 . 1 1 102 102 ARG CB C 13 32.57 . . 1 . . . . . 131 ARG CB . 27531 1 436 . 1 1 102 102 ARG N N 15 114.4 . . 1 . . . . . 131 ARG N . 27531 1 437 . 1 1 103 103 GLU H H 1 9.03 . . 1 . . . . . 132 GLU H . 27531 1 438 . 1 1 103 103 GLU C C 13 176.9 . . 1 . . . . . 132 GLU C . 27531 1 439 . 1 1 103 103 GLU CA C 13 59.59 . . 1 . . . . . 132 GLU CA . 27531 1 440 . 1 1 103 103 GLU CB C 13 29.72 . . 1 . . . . . 132 GLU CB . 27531 1 441 . 1 1 103 103 GLU N N 15 119.1 . . 1 . . . . . 132 GLU N . 27531 1 442 . 1 1 104 104 GLY H H 1 8.95 . . 1 . . . . . 133 GLY H . 27531 1 443 . 1 1 104 104 GLY C C 13 175.5 . . 1 . . . . . 133 GLY C . 27531 1 444 . 1 1 104 104 GLY CA C 13 44.99 . . 1 . . . . . 133 GLY CA . 27531 1 445 . 1 1 104 104 GLY N N 15 111.3 . . 1 . . . . . 133 GLY N . 27531 1 446 . 1 1 105 105 ASP H H 1 8.64 . . 1 . . . . . 134 ASP H . 27531 1 447 . 1 1 105 105 ASP C C 13 175.3 . . 1 . . . . . 134 ASP C . 27531 1 448 . 1 1 105 105 ASP CA C 13 55.33 . . 1 . . . . . 134 ASP CA . 27531 1 449 . 1 1 105 105 ASP CB C 13 42.09 . . 1 . . . . . 134 ASP CB . 27531 1 450 . 1 1 105 105 ASP N N 15 122.3 . . 1 . . . . . 134 ASP N . 27531 1 451 . 1 1 106 106 ARG H H 1 8.37 . . 1 . . . . . 135 ARG H . 27531 1 452 . 1 1 106 106 ARG C C 13 175.0 . . 1 . . . . . 135 ARG C . 27531 1 453 . 1 1 106 106 ARG CA C 13 54.70 . . 1 . . . . . 135 ARG CA . 27531 1 454 . 1 1 106 106 ARG CB C 13 34.13 . . 1 . . . . . 135 ARG CB . 27531 1 455 . 1 1 106 106 ARG N N 15 119.1 . . 1 . . . . . 135 ARG N . 27531 1 456 . 1 1 107 107 TRP H H 1 9.74 . . 1 . . . . . 136 TRP H . 27531 1 457 . 1 1 107 107 TRP C C 13 173.9 . . 1 . . . . . 136 TRP C . 27531 1 458 . 1 1 107 107 TRP CA C 13 54.24 . . 1 . . . . . 136 TRP CA . 27531 1 459 . 1 1 107 107 TRP CB C 13 35.63 . . 1 . . . . . 136 TRP CB . 27531 1 460 . 1 1 107 107 TRP N N 15 129.9 . . 1 . . . . . 136 TRP N . 27531 1 461 . 1 1 108 108 ARG H H 1 9.45 . . 1 . . . . . 137 ARG H . 27531 1 462 . 1 1 108 108 ARG C C 13 174.4 . . 1 . . . . . 137 ARG C . 27531 1 463 . 1 1 108 108 ARG CA C 13 54.81 . . 1 . . . . . 137 ARG CA . 27531 1 464 . 1 1 108 108 ARG CB C 13 35.75 . . 1 . . . . . 137 ARG CB . 27531 1 465 . 1 1 108 108 ARG N N 15 122.5 . . 1 . . . . . 137 ARG N . 27531 1 466 . 1 1 109 109 LEU H H 1 9.72 . . 1 . . . . . 138 LEU H . 27531 1 467 . 1 1 109 109 LEU C C 13 174.9 . . 1 . . . . . 138 LEU C . 27531 1 468 . 1 1 109 109 LEU CA C 13 54.81 . . 1 . . . . . 138 LEU CA . 27531 1 469 . 1 1 109 109 LEU CB C 13 45.24 . . 1 . . . . . 138 LEU CB . 27531 1 470 . 1 1 109 109 LEU N N 15 123.9 . . 1 . . . . . 138 LEU N . 27531 1 471 . 1 1 110 110 PHE H H 1 9.68 . . 1 . . . . . 139 PHE H . 27531 1 472 . 1 1 110 110 PHE C C 13 173.8 . . 1 . . . . . 139 PHE C . 27531 1 473 . 1 1 110 110 PHE CA C 13 56.73 . . 1 . . . . . 139 PHE CA . 27531 1 474 . 1 1 110 110 PHE CB C 13 39.14 . . 1 . . . . . 139 PHE CB . 27531 1 475 . 1 1 110 110 PHE N N 15 122.7 . . 1 . . . . . 139 PHE N . 27531 1 476 . 1 1 112 112 PRO C C 13 179.2 . . 1 . . . . . 141 PRO C . 27531 1 477 . 1 1 112 112 PRO CA C 13 62.06 . . 1 . . . . . 141 PRO CA . 27531 1 478 . 1 1 112 112 PRO CB C 13 33.01 . . 1 . . . . . 141 PRO CB . 27531 1 479 . 1 1 113 113 TYR H H 1 8.99 . . 1 . . . . . 142 TYR H . 27531 1 480 . 1 1 113 113 TYR C C 13 177.3 . . 1 . . . . . 142 TYR C . 27531 1 481 . 1 1 113 113 TYR CA C 13 60.90 . . 1 . . . . . 142 TYR CA . 27531 1 482 . 1 1 113 113 TYR CB C 13 37.90 . . 1 . . . . . 142 TYR CB . 27531 1 483 . 1 1 113 113 TYR N N 15 117.4 . . 1 . . . . . 142 TYR N . 27531 1 484 . 1 1 114 114 ASP H H 1 8.19 . . 1 . . . . . 143 ASP H . 27531 1 485 . 1 1 114 114 ASP C C 13 176.8 . . 1 . . . . . 143 ASP C . 27531 1 486 . 1 1 114 114 ASP CA C 13 54.93 . . 1 . . . . . 143 ASP CA . 27531 1 487 . 1 1 114 114 ASP CB C 13 38.10 . . 1 . . . . . 143 ASP CB . 27531 1 488 . 1 1 114 114 ASP N N 15 119.9 . . 1 . . . . . 143 ASP N . 27531 1 489 . 1 1 115 115 LEU H H 1 7.67 . . 1 . . . . . 144 LEU H . 27531 1 490 . 1 1 115 115 LEU C C 13 174.2 . . 1 . . . . . 144 LEU C . 27531 1 491 . 1 1 115 115 LEU CA C 13 53.41 . . 1 . . . . . 144 LEU CA . 27531 1 492 . 1 1 115 115 LEU CB C 13 42.67 . . 1 . . . . . 144 LEU CB . 27531 1 493 . 1 1 115 115 LEU N N 15 119.6 . . 1 . . . . . 144 LEU N . 27531 1 494 . 1 1 116 116 ALA H H 1 7.57 . . 1 . . . . . 145 ALA H . 27531 1 495 . 1 1 116 116 ALA C C 13 176.2 . . 1 . . . . . 145 ALA C . 27531 1 496 . 1 1 116 116 ALA CA C 13 51.06 . . 1 . . . . . 145 ALA CA . 27531 1 497 . 1 1 116 116 ALA CB C 13 19.27 . . 1 . . . . . 145 ALA CB . 27531 1 498 . 1 1 116 116 ALA N N 15 125.4 . . 1 . . . . . 145 ALA N . 27531 1 499 . 1 1 117 117 TYR C C 13 177.0 . . 9 . . . . . 146 TYR C . 27531 1 500 . 1 1 117 117 TYR CA C 13 59.30 . . 9 . . . . . 146 TYR CA . 27531 1 501 . 1 1 118 118 GLY H H 1 8.44 . . 9 . . . . . 147 GLY H . 27531 1 502 . 1 1 118 118 GLY C C 13 173.8 . . 9 . . . . . 147 GLY C . 27531 1 503 . 1 1 118 118 GLY CA C 13 47.43 . . 9 . . . . . 147 GLY CA . 27531 1 504 . 1 1 118 118 GLY N N 15 106.4 . . 9 . . . . . 147 GLY N . 27531 1 505 . 1 1 121 121 GLY C C 13 173.2 . . 1 . . . . . 150 GLY C . 27531 1 506 . 1 1 121 121 GLY CA C 13 44.73 . . 1 . . . . . 150 GLY CA . 27531 1 507 . 1 1 122 122 GLY H H 1 8.51 . . 1 . . . . . 151 GLY H . 27531 1 508 . 1 1 122 122 GLY C C 13 173.9 . . 1 . . . . . 151 GLY C . 27531 1 509 . 1 1 122 122 GLY CA C 13 45.60 . . 1 . . . . . 151 GLY CA . 27531 1 510 . 1 1 122 122 GLY N N 15 106.9 . . 1 . . . . . 151 GLY N . 27531 1 511 . 1 1 123 123 GLY H H 1 8.37 . . 1 . . . . . 152 GLY H . 27531 1 512 . 1 1 123 123 GLY C C 13 174.6 . . 1 . . . . . 152 GLY C . 27531 1 513 . 1 1 123 123 GLY CA C 13 45.42 . . 1 . . . . . 152 GLY CA . 27531 1 514 . 1 1 123 123 GLY N N 15 109.3 . . 1 . . . . . 152 GLY N . 27531 1 515 . 1 1 124 124 GLY H H 1 8.43 . . 1 . . . . . 153 GLY H . 27531 1 516 . 1 1 124 124 GLY C C 13 175.1 . . 1 . . . . . 153 GLY C . 27531 1 517 . 1 1 124 124 GLY CA C 13 46.26 . . 1 . . . . . 153 GLY CA . 27531 1 518 . 1 1 124 124 GLY N N 15 108.7 . . 1 . . . . . 153 GLY N . 27531 1 519 . 1 1 125 125 MET H H 1 8.14 . . 1 . . . . . 154 MET H . 27531 1 520 . 1 1 125 125 MET C C 13 174.6 . . 1 . . . . . 154 MET C . 27531 1 521 . 1 1 125 125 MET CA C 13 55.89 . . 1 . . . . . 154 MET CA . 27531 1 522 . 1 1 125 125 MET CB C 13 33.59 . . 1 . . . . . 154 MET CB . 27531 1 523 . 1 1 125 125 MET N N 15 118.2 . . 1 . . . . . 154 MET N . 27531 1 524 . 1 1 126 126 ILE H H 1 7.52 . . 1 . . . . . 155 ILE H . 27531 1 525 . 1 1 126 126 ILE C C 13 174.0 . . 1 . . . . . 155 ILE C . 27531 1 526 . 1 1 126 126 ILE CA C 13 58.21 . . 1 . . . . . 155 ILE CA . 27531 1 527 . 1 1 126 126 ILE CB C 13 38.23 . . 1 . . . . . 155 ILE CB . 27531 1 528 . 1 1 126 126 ILE N N 15 119.0 . . 1 . . . . . 155 ILE N . 27531 1 529 . 1 1 128 128 PRO C C 13 176.0 . . 1 . . . . . 157 PRO C . 27531 1 530 . 1 1 128 128 PRO CA C 13 65.64 . . 1 . . . . . 157 PRO CA . 27531 1 531 . 1 1 128 128 PRO CB C 13 31.25 . . 1 . . . . . 157 PRO CB . 27531 1 532 . 1 1 129 129 TYR H H 1 7.69 . . 1 . . . . . 158 TYR H . 27531 1 533 . 1 1 129 129 TYR C C 13 174.7 . . 1 . . . . . 158 TYR C . 27531 1 534 . 1 1 129 129 TYR CA C 13 53.59 . . 1 . . . . . 158 TYR CA . 27531 1 535 . 1 1 129 129 TYR CB C 13 36.67 . . 1 . . . . . 158 TYR CB . 27531 1 536 . 1 1 129 129 TYR N N 15 111.4 . . 1 . . . . . 158 TYR N . 27531 1 537 . 1 1 130 130 SER H H 1 8.13 . . 9 . . . . . 159 SER H . 27531 1 538 . 1 1 130 130 SER CA C 13 56.05 . . 9 . . . . . 159 SER CA . 27531 1 539 . 1 1 130 130 SER N N 15 117.9 . . 9 . . . . . 159 SER N . 27531 1 540 . 1 1 131 131 PRO C C 13 175.8 . . 1 . . . . . 160 PRO C . 27531 1 541 . 1 1 131 131 PRO CA C 13 62.22 . . 1 . . . . . 160 PRO CA . 27531 1 542 . 1 1 131 131 PRO CB C 13 32.65 . . 1 . . . . . 160 PRO CB . 27531 1 543 . 1 1 132 132 LEU H H 1 8.93 . . 1 . . . . . 161 LEU H . 27531 1 544 . 1 1 132 132 LEU C C 13 174.9 . . 1 . . . . . 161 LEU C . 27531 1 545 . 1 1 132 132 LEU CA C 13 53.47 . . 1 . . . . . 161 LEU CA . 27531 1 546 . 1 1 132 132 LEU CB C 13 47.80 . . 1 . . . . . 161 LEU CB . 27531 1 547 . 1 1 132 132 LEU N N 15 117.0 . . 1 . . . . . 161 LEU N . 27531 1 548 . 1 1 133 133 GLU H H 1 8.77 . . 1 . . . . . 162 GLU H . 27531 1 549 . 1 1 133 133 GLU C C 13 175.4 . . 1 . . . . . 162 GLU C . 27531 1 550 . 1 1 133 133 GLU CA C 13 53.47 . . 1 . . . . . 162 GLU CA . 27531 1 551 . 1 1 133 133 GLU CB C 13 32.65 . . 1 . . . . . 162 GLU CB . 27531 1 552 . 1 1 133 133 GLU N N 15 122.3 . . 1 . . . . . 162 GLU N . 27531 1 553 . 1 1 134 134 PHE H H 1 9.65 . . 1 . . . . . 163 PHE H . 27531 1 554 . 1 1 134 134 PHE C C 13 174.4 . . 1 . . . . . 163 PHE C . 27531 1 555 . 1 1 134 134 PHE CA C 13 55.89 . . 1 . . . . . 163 PHE CA . 27531 1 556 . 1 1 134 134 PHE CB C 13 44.73 . . 1 . . . . . 163 PHE CB . 27531 1 557 . 1 1 134 134 PHE N N 15 123.7 . . 1 . . . . . 163 PHE N . 27531 1 558 . 1 1 135 135 ASP H H 1 8.60 . . 1 . . . . . 164 ASP H . 27531 1 559 . 1 1 135 135 ASP C C 13 177.0 . . 1 . . . . . 164 ASP C . 27531 1 560 . 1 1 135 135 ASP CB C 13 42.17 . . 1 . . . . . 164 ASP CB . 27531 1 561 . 1 1 135 135 ASP N N 15 123.4 . . 1 . . . . . 164 ASP N . 27531 1 562 . 1 1 136 136 VAL H H 1 9.49 . . 1 . . . . . 165 VAL H . 27531 1 563 . 1 1 136 136 VAL C C 13 172.2 . . 1 . . . . . 165 VAL C . 27531 1 564 . 1 1 136 136 VAL CA C 13 61.18 . . 1 . . . . . 165 VAL CA . 27531 1 565 . 1 1 136 136 VAL CB C 13 35.42 . . 1 . . . . . 165 VAL CB . 27531 1 566 . 1 1 136 136 VAL N N 15 125.4 . . 1 . . . . . 165 VAL N . 27531 1 567 . 1 1 137 137 GLU H H 1 9.51 . . 1 . . . . . 166 GLU H . 27531 1 568 . 1 1 137 137 GLU C C 13 174.8 . . 1 . . . . . 166 GLU C . 27531 1 569 . 1 1 137 137 GLU CA C 13 54.05 . . 1 . . . . . 166 GLU CA . 27531 1 570 . 1 1 137 137 GLU CB C 13 33.96 . . 1 . . . . . 166 GLU CB . 27531 1 571 . 1 1 137 137 GLU N N 15 128.6 . . 1 . . . . . 166 GLU N . 27531 1 572 . 1 1 138 138 LEU H H 1 8.38 . . 1 . . . . . 167 LEU H . 27531 1 573 . 1 1 138 138 LEU C C 13 174.1 . . 1 . . . . . 167 LEU C . 27531 1 574 . 1 1 138 138 LEU CA C 13 54.07 . . 1 . . . . . 167 LEU CA . 27531 1 575 . 1 1 138 138 LEU CB C 13 41.25 . . 1 . . . . . 167 LEU CB . 27531 1 576 . 1 1 138 138 LEU N N 15 128.9 . . 1 . . . . . 167 LEU N . 27531 1 577 . 1 1 139 139 ILE H H 1 8.86 . . 1 . . . . . 168 ILE H . 27531 1 578 . 1 1 139 139 ILE C C 13 176.7 . . 1 . . . . . 168 ILE C . 27531 1 579 . 1 1 139 139 ILE CA C 13 63.45 . . 1 . . . . . 168 ILE CA . 27531 1 580 . 1 1 139 139 ILE CB C 13 38.10 . . 1 . . . . . 168 ILE CB . 27531 1 581 . 1 1 139 139 ILE N N 15 130.0 . . 1 . . . . . 168 ILE N . 27531 1 582 . 1 1 140 140 SER H H 1 7.67 . . 1 . . . . . 169 SER H . 27531 1 583 . 1 1 140 140 SER C C 13 171.8 . . 1 . . . . . 169 SER C . 27531 1 584 . 1 1 140 140 SER CA C 13 57.54 . . 1 . . . . . 169 SER CA . 27531 1 585 . 1 1 140 140 SER CB C 13 65.67 . . 1 . . . . . 169 SER CB . 27531 1 586 . 1 1 140 140 SER N N 15 109.2 . . 1 . . . . . 169 SER N . 27531 1 587 . 1 1 141 141 ILE H H 1 8.87 . . 1 . . . . . 170 ILE H . 27531 1 588 . 1 1 141 141 ILE C C 13 176.7 . . 1 . . . . . 170 ILE C . 27531 1 589 . 1 1 141 141 ILE CA C 13 60.18 . . 1 . . . . . 170 ILE CA . 27531 1 590 . 1 1 141 141 ILE CB C 13 40.98 . . 1 . . . . . 170 ILE CB . 27531 1 591 . 1 1 141 141 ILE N N 15 122.7 . . 1 . . . . . 170 ILE N . 27531 1 592 . 1 1 142 142 LYS H H 1 8.74 . . 1 . . . . . 171 LYS H . 27531 1 593 . 1 1 142 142 LYS C C 13 177.7 . . 1 . . . . . 171 LYS C . 27531 1 594 . 1 1 142 142 LYS CA C 13 58.29 . . 1 . . . . . 171 LYS CA . 27531 1 595 . 1 1 142 142 LYS CB C 13 31.60 . . 1 . . . . . 171 LYS CB . 27531 1 596 . 1 1 142 142 LYS N N 15 130.5 . . 1 . . . . . 171 LYS N . 27531 1 597 . 1 1 143 143 ASP H H 1 9.33 . . 1 . . . . . 172 ASP H . 27531 1 598 . 1 1 143 143 ASP C C 13 175.6 . . 1 . . . . . 172 ASP C . 27531 1 599 . 1 1 143 143 ASP CA C 13 56.55 . . 1 . . . . . 172 ASP CA . 27531 1 600 . 1 1 143 143 ASP CB C 13 39.68 . . 1 . . . . . 172 ASP CB . 27531 1 601 . 1 1 143 143 ASP N N 15 122.9 . . 1 . . . . . 172 ASP N . 27531 1 602 . 1 1 144 144 GLY H H 1 8.15 . . 1 . . . . . 173 GLY H . 27531 1 603 . 1 1 144 144 GLY C C 13 173.9 . . 1 . . . . . 173 GLY C . 27531 1 604 . 1 1 144 144 GLY CA C 13 45.90 . . 1 . . . . . 173 GLY CA . 27531 1 605 . 1 1 144 144 GLY N N 15 107.2 . . 1 . . . . . 173 GLY N . 27531 1 606 . 1 1 145 145 GLY H H 1 7.67 . . 1 . . . . . 174 GLY H . 27531 1 607 . 1 1 145 145 GLY C C 13 174.6 . . 1 . . . . . 174 GLY C . 27531 1 608 . 1 1 145 145 GLY CA C 13 44.98 . . 1 . . . . . 174 GLY CA . 27531 1 609 . 1 1 145 145 GLY N N 15 107.8 . . 1 . . . . . 174 GLY N . 27531 1 610 . 1 1 146 146 LYS H H 1 9.84 . . 1 . . . . . 175 LYS H . 27531 1 611 . 1 1 146 146 LYS C C 13 177.0 . . 1 . . . . . 175 LYS C . 27531 1 612 . 1 1 146 146 LYS CB C 13 32.77 . . 1 . . . . . 175 LYS CB . 27531 1 613 . 1 1 146 146 LYS N N 15 121.9 . . 1 . . . . . 175 LYS N . 27531 1 614 . 1 1 147 147 GLY H H 1 8.07 . . 1 . . . . . 176 GLY H . 27531 1 615 . 1 1 147 147 GLY C C 13 174.2 . . 1 . . . . . 176 GLY C . 27531 1 616 . 1 1 147 147 GLY CA C 13 44.24 . . 1 . . . . . 176 GLY CA . 27531 1 617 . 1 1 147 147 GLY N N 15 112.0 . . 1 . . . . . 176 GLY N . 27531 1 618 . 1 1 148 148 ARG H H 1 8.28 . . 1 . . . . . 177 ARG H . 27531 1 619 . 1 1 148 148 ARG C C 13 176.5 . . 1 . . . . . 177 ARG C . 27531 1 620 . 1 1 148 148 ARG CA C 13 56.84 . . 1 . . . . . 177 ARG CA . 27531 1 621 . 1 1 148 148 ARG CB C 13 32.52 . . 1 . . . . . 177 ARG CB . 27531 1 622 . 1 1 148 148 ARG N N 15 122.0 . . 1 . . . . . 177 ARG N . 27531 1 623 . 1 1 149 149 THR H H 1 8.87 . . 1 . . . . . 178 THR H . 27531 1 624 . 1 1 149 149 THR C C 13 175.5 . . 1 . . . . . 178 THR C . 27531 1 625 . 1 1 149 149 THR CA C 13 61.51 . . 1 . . . . . 178 THR CA . 27531 1 626 . 1 1 149 149 THR CB C 13 71.15 . . 1 . . . . . 178 THR CB . 27531 1 627 . 1 1 149 149 THR N N 15 110.8 . . 1 . . . . . 178 THR N . 27531 1 628 . 1 1 150 150 ALA H H 1 7.93 . . 1 . . . . . 179 ALA H . 27531 1 629 . 1 1 150 150 ALA C C 13 177.9 . . 1 . . . . . 179 ALA C . 27531 1 630 . 1 1 150 150 ALA CA C 13 55.63 . . 1 . . . . . 179 ALA CA . 27531 1 631 . 1 1 150 150 ALA CB C 13 18.39 . . 1 . . . . . 179 ALA CB . 27531 1 632 . 1 1 150 150 ALA N N 15 122.5 . . 1 . . . . . 179 ALA N . 27531 1 633 . 1 1 151 151 GLU H H 1 8.74 . . 1 . . . . . 180 GLU H . 27531 1 634 . 1 1 151 151 GLU C C 13 179.7 . . 1 . . . . . 180 GLU C . 27531 1 635 . 1 1 151 151 GLU CA C 13 60.37 . . 1 . . . . . 180 GLU CA . 27531 1 636 . 1 1 151 151 GLU CB C 13 28.86 . . 1 . . . . . 180 GLU CB . 27531 1 637 . 1 1 151 151 GLU N N 15 115.4 . . 1 . . . . . 180 GLU N . 27531 1 638 . 1 1 152 152 GLU H H 1 7.78 . . 1 . . . . . 181 GLU H . 27531 1 639 . 1 1 152 152 GLU C C 13 180.2 . . 1 . . . . . 181 GLU C . 27531 1 640 . 1 1 152 152 GLU CA C 13 59.06 . . 1 . . . . . 181 GLU CA . 27531 1 641 . 1 1 152 152 GLU CB C 13 30.30 . . 1 . . . . . 181 GLU CB . 27531 1 642 . 1 1 152 152 GLU N N 15 121.0 . . 1 . . . . . 181 GLU N . 27531 1 643 . 1 1 153 153 VAL H H 1 8.41 . . 1 . . . . . 182 VAL H . 27531 1 644 . 1 1 153 153 VAL C C 13 177.7 . . 1 . . . . . 182 VAL C . 27531 1 645 . 1 1 153 153 VAL CA C 13 67.55 . . 1 . . . . . 182 VAL CA . 27531 1 646 . 1 1 153 153 VAL CB C 13 31.36 . . 1 . . . . . 182 VAL CB . 27531 1 647 . 1 1 153 153 VAL N N 15 120.0 . . 1 . . . . . 182 VAL N . 27531 1 648 . 1 1 154 154 ASP H H 1 8.83 . . 1 . . . . . 183 ASP H . 27531 1 649 . 1 1 154 154 ASP C C 13 179.2 . . 1 . . . . . 183 ASP C . 27531 1 650 . 1 1 154 154 ASP CA C 13 57.78 . . 1 . . . . . 183 ASP CA . 27531 1 651 . 1 1 154 154 ASP CB C 13 39.71 . . 1 . . . . . 183 ASP CB . 27531 1 652 . 1 1 154 154 ASP N N 15 118.8 . . 1 . . . . . 183 ASP N . 27531 1 653 . 1 1 155 155 GLU H H 1 7.73 . . 1 . . . . . 184 GLU H . 27531 1 654 . 1 1 155 155 GLU C C 13 178.5 . . 1 . . . . . 184 GLU C . 27531 1 655 . 1 1 155 155 GLU CA C 13 59.29 . . 1 . . . . . 184 GLU CA . 27531 1 656 . 1 1 155 155 GLU CB C 13 29.41 . . 1 . . . . . 184 GLU CB . 27531 1 657 . 1 1 155 155 GLU N N 15 120.5 . . 1 . . . . . 184 GLU N . 27531 1 658 . 1 1 156 156 ILE H H 1 7.68 . . 1 . . . . . 185 ILE H . 27531 1 659 . 1 1 156 156 ILE C C 13 179.5 . . 1 . . . . . 185 ILE C . 27531 1 660 . 1 1 156 156 ILE CA C 13 65.51 . . 1 . . . . . 185 ILE CA . 27531 1 661 . 1 1 156 156 ILE CB C 13 38.29 . . 1 . . . . . 185 ILE CB . 27531 1 662 . 1 1 156 156 ILE N N 15 121.7 . . 1 . . . . . 185 ILE N . 27531 1 663 . 1 1 157 157 LEU H H 1 8.72 . . 1 . . . . . 186 LEU H . 27531 1 664 . 1 1 157 157 LEU C C 13 179.1 . . 1 . . . . . 186 LEU C . 27531 1 665 . 1 1 157 157 LEU CA C 13 57.86 . . 1 . . . . . 186 LEU CA . 27531 1 666 . 1 1 157 157 LEU CB C 13 40.68 . . 1 . . . . . 186 LEU CB . 27531 1 667 . 1 1 157 157 LEU N N 15 118.8 . . 1 . . . . . 186 LEU N . 27531 1 668 . 1 1 158 158 ARG H H 1 8.53 . . 1 . . . . . 187 ARG H . 27531 1 669 . 1 1 158 158 ARG C C 13 179.2 . . 1 . . . . . 187 ARG C . 27531 1 670 . 1 1 158 158 ARG CA C 13 59.39 . . 1 . . . . . 187 ARG CA . 27531 1 671 . 1 1 158 158 ARG CB C 13 29.74 . . 1 . . . . . 187 ARG CB . 27531 1 672 . 1 1 158 158 ARG N N 15 121.0 . . 1 . . . . . 187 ARG N . 27531 1 673 . 1 1 159 159 LYS H H 1 7.79 . . 1 . . . . . 188 LYS H . 27531 1 674 . 1 1 159 159 LYS C C 13 178.6 . . 1 . . . . . 188 LYS C . 27531 1 675 . 1 1 159 159 LYS CA C 13 59.12 . . 1 . . . . . 188 LYS CA . 27531 1 676 . 1 1 159 159 LYS CB C 13 31.89 . . 1 . . . . . 188 LYS CB . 27531 1 677 . 1 1 159 159 LYS N N 15 118.9 . . 1 . . . . . 188 LYS N . 27531 1 678 . 1 1 160 160 ALA H H 1 7.74 . . 1 . . . . . 189 ALA H . 27531 1 679 . 1 1 160 160 ALA C C 13 180.3 . . 1 . . . . . 189 ALA C . 27531 1 680 . 1 1 160 160 ALA CA C 13 54.69 . . 1 . . . . . 189 ALA CA . 27531 1 681 . 1 1 160 160 ALA CB C 13 18.05 . . 1 . . . . . 189 ALA CB . 27531 1 682 . 1 1 160 160 ALA N N 15 120.7 . . 1 . . . . . 189 ALA N . 27531 1 683 . 1 1 161 161 GLU H H 1 8.16 . . 1 . . . . . 190 GLU H . 27531 1 684 . 1 1 161 161 GLU C C 13 178.6 . . 1 . . . . . 190 GLU C . 27531 1 685 . 1 1 161 161 GLU CA C 13 59.04 . . 1 . . . . . 190 GLU CA . 27531 1 686 . 1 1 161 161 GLU CB C 13 29.90 . . 1 . . . . . 190 GLU CB . 27531 1 687 . 1 1 161 161 GLU N N 15 118.7 . . 1 . . . . . 190 GLU N . 27531 1 688 . 1 1 162 162 GLU H H 1 8.17 . . 1 . . . . . 191 GLU H . 27531 1 689 . 1 1 162 162 GLU C C 13 177.6 . . 1 . . . . . 191 GLU C . 27531 1 690 . 1 1 162 162 GLU CA C 13 58.20 . . 1 . . . . . 191 GLU CA . 27531 1 691 . 1 1 162 162 GLU CB C 13 29.74 . . 1 . . . . . 191 GLU CB . 27531 1 692 . 1 1 162 162 GLU N N 15 119.6 . . 1 . . . . . 191 GLU N . 27531 1 693 . 1 1 163 163 ASP H H 1 8.06 . . 1 . . . . . 192 ASP H . 27531 1 694 . 1 1 163 163 ASP C C 13 176.7 . . 1 . . . . . 192 ASP C . 27531 1 695 . 1 1 163 163 ASP CA C 13 55.02 . . 1 . . . . . 192 ASP CA . 27531 1 696 . 1 1 163 163 ASP CB C 13 40.65 . . 1 . . . . . 192 ASP CB . 27531 1 697 . 1 1 163 163 ASP N N 15 119.7 . . 1 . . . . . 192 ASP N . 27531 1 698 . 1 1 164 164 ARG H H 1 7.65 . . 1 . . . . . 193 ARG H . 27531 1 699 . 1 1 164 164 ARG C C 13 177.1 . . 1 . . . . . 193 ARG C . 27531 1 700 . 1 1 164 164 ARG CA C 13 56.91 . . 1 . . . . . 193 ARG CA . 27531 1 701 . 1 1 164 164 ARG CB C 13 30.83 . . 1 . . . . . 193 ARG CB . 27531 1 702 . 1 1 164 164 ARG N N 15 120.4 . . 1 . . . . . 193 ARG N . 27531 1 703 . 1 1 165 165 GLU H H 1 8.35 . . 1 . . . . . 194 GLU H . 27531 1 704 . 1 1 165 165 GLU C C 13 176.8 . . 1 . . . . . 194 GLU C . 27531 1 705 . 1 1 165 165 GLU CA C 13 57.20 . . 1 . . . . . 194 GLU CA . 27531 1 706 . 1 1 165 165 GLU CB C 13 29.98 . . 1 . . . . . 194 GLU CB . 27531 1 707 . 1 1 165 165 GLU N N 15 121.5 . . 1 . . . . . 194 GLU N . 27531 1 708 . 1 1 166 166 ASP H H 1 8.36 . . 1 . . . . . 195 ASP H . 27531 1 709 . 1 1 166 166 ASP C C 13 176.9 . . 1 . . . . . 195 ASP C . 27531 1 710 . 1 1 166 166 ASP CA C 13 54.69 . . 1 . . . . . 195 ASP CA . 27531 1 711 . 1 1 166 166 ASP CB C 13 40.92 . . 1 . . . . . 195 ASP CB . 27531 1 712 . 1 1 166 166 ASP N N 15 120.2 . . 1 . . . . . 195 ASP N . 27531 1 713 . 1 1 167 167 MET H H 1 8.18 . . 1 . . . . . 196 MET H . 27531 1 714 . 1 1 167 167 MET C C 13 176.7 . . 1 . . . . . 196 MET C . 27531 1 715 . 1 1 167 167 MET CA C 13 56.21 . . 1 . . . . . 196 MET CA . 27531 1 716 . 1 1 167 167 MET CB C 13 32.16 . . 1 . . . . . 196 MET CB . 27531 1 717 . 1 1 167 167 MET N N 15 119.7 . . 1 . . . . . 196 MET N . 27531 1 stop_ save_