data_26646 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26646 _Entry.Title ; A Novel MHC-I Surface Targeted for Binding by the MCMV m06 Immunoevasin Revealed by Solution NMR ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-09-02 _Entry.Accession_date 2015-09-02 _Entry.Last_release_date 2016-07-15 _Entry.Original_release_date 2016-07-15 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'backbone and Cbeta assignments of the mini H2-Ld protein' _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 Nikolaos Sgourakis . G. . . 26646 2 Nathan May . A. . . 26646 3 Lisa Boyd . F. . . 26646 4 Jinfa Ying . . . . 26646 5 Ad Bax . . . . 26646 6 David Margulies . H. . . 26646 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26646 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 506 26646 '15N chemical shifts' 170 26646 '1H chemical shifts' 170 26646 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2016-07-15 . original BMRB . 26646 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26646 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26463211 _Citation.Full_citation . _Citation.Title ; A Novel MHC-I Surface Targeted for Binding by the MCMV m06 Immunoevasin Revealed by Solution NMR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 290 _Citation.Journal_issue 48 _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 28857 _Citation.Page_last 28868 _Citation.Year 2015 _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 Nikolaos Sgourakis . G. . . 26646 1 2 Nathan May . A. . . 26646 1 3 Lisa Boyd . F. . . 26646 1 4 Jinfa Ying . . . . 26646 1 5 Ad Bax . . . . 26646 1 6 David Margulies . H. . . 26646 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26646 _Assembly.ID 1 _Assembly.Name 'mini H2-Ld' _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 'mini H2-Ld' 1 $mini_H2-Ld A . yes native no no . . . 26646 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 102 102 SG . 1 . 1 CYS 165 165 SG . . . . . . . . . . 26646 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_mini_H2-Ld _Entity.Sf_category entity _Entity.Sf_framecode mini_H2-Ld _Entity.Entry_ID 26646 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name mini_H2-Ld _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 ; MGPHSMRYYETATSRRGLGE PRYTSVGYVDDKEFVRFDSD AENPRYEPQVPWMEQEGPEY WERITQVAKGQEQWFRVNLR TLLGYYNQSAGGTHTLQRMY GCDVGSDGRLLRGYEQFAYD GCDYIALNEDLRTWTAADMA AQITRRKWEQAGAAEYYRAY LEGECVEWLHRYLKNGNATL ; _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 180 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'free and disulfide bound' _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 1 MET . 26646 1 2 2 GLY . 26646 1 3 3 PRO . 26646 1 4 4 HIS . 26646 1 5 5 SER . 26646 1 6 6 MET . 26646 1 7 7 ARG . 26646 1 8 8 TYR . 26646 1 9 9 TYR . 26646 1 10 10 GLU . 26646 1 11 11 THR . 26646 1 12 12 ALA . 26646 1 13 13 THR . 26646 1 14 14 SER . 26646 1 15 15 ARG . 26646 1 16 16 ARG . 26646 1 17 17 GLY . 26646 1 18 18 LEU . 26646 1 19 19 GLY . 26646 1 20 20 GLU . 26646 1 21 21 PRO . 26646 1 22 22 ARG . 26646 1 23 23 TYR . 26646 1 24 24 THR . 26646 1 25 25 SER . 26646 1 26 26 VAL . 26646 1 27 27 GLY . 26646 1 28 28 TYR . 26646 1 29 29 VAL . 26646 1 30 30 ASP . 26646 1 31 31 ASP . 26646 1 32 32 LYS . 26646 1 33 33 GLU . 26646 1 34 34 PHE . 26646 1 35 35 VAL . 26646 1 36 36 ARG . 26646 1 37 37 PHE . 26646 1 38 38 ASP . 26646 1 39 39 SER . 26646 1 40 40 ASP . 26646 1 41 41 ALA . 26646 1 42 42 GLU . 26646 1 43 43 ASN . 26646 1 44 44 PRO . 26646 1 45 45 ARG . 26646 1 46 46 TYR . 26646 1 47 47 GLU . 26646 1 48 48 PRO . 26646 1 49 49 GLN . 26646 1 50 50 VAL . 26646 1 51 51 PRO . 26646 1 52 52 TRP . 26646 1 53 53 MET . 26646 1 54 54 GLU . 26646 1 55 55 GLN . 26646 1 56 56 GLU . 26646 1 57 57 GLY . 26646 1 58 58 PRO . 26646 1 59 59 GLU . 26646 1 60 60 TYR . 26646 1 61 61 TRP . 26646 1 62 62 GLU . 26646 1 63 63 ARG . 26646 1 64 64 ILE . 26646 1 65 65 THR . 26646 1 66 66 GLN . 26646 1 67 67 VAL . 26646 1 68 68 ALA . 26646 1 69 69 LYS . 26646 1 70 70 GLY . 26646 1 71 71 GLN . 26646 1 72 72 GLU . 26646 1 73 73 GLN . 26646 1 74 74 TRP . 26646 1 75 75 PHE . 26646 1 76 76 ARG . 26646 1 77 77 VAL . 26646 1 78 78 ASN . 26646 1 79 79 LEU . 26646 1 80 80 ARG . 26646 1 81 81 THR . 26646 1 82 82 LEU . 26646 1 83 83 LEU . 26646 1 84 84 GLY . 26646 1 85 85 TYR . 26646 1 86 86 TYR . 26646 1 87 87 ASN . 26646 1 88 88 GLN . 26646 1 89 89 SER . 26646 1 90 90 ALA . 26646 1 91 91 GLY . 26646 1 92 92 GLY . 26646 1 93 93 THR . 26646 1 94 94 HIS . 26646 1 95 95 THR . 26646 1 96 96 LEU . 26646 1 97 97 GLN . 26646 1 98 98 ARG . 26646 1 99 99 MET . 26646 1 100 100 TYR . 26646 1 101 101 GLY . 26646 1 102 102 CYS . 26646 1 103 103 ASP . 26646 1 104 104 VAL . 26646 1 105 105 GLY . 26646 1 106 106 SER . 26646 1 107 107 ASP . 26646 1 108 108 GLY . 26646 1 109 109 ARG . 26646 1 110 110 LEU . 26646 1 111 111 LEU . 26646 1 112 112 ARG . 26646 1 113 113 GLY . 26646 1 114 114 TYR . 26646 1 115 115 GLU . 26646 1 116 116 GLN . 26646 1 117 117 PHE . 26646 1 118 118 ALA . 26646 1 119 119 TYR . 26646 1 120 120 ASP . 26646 1 121 121 GLY . 26646 1 122 122 CYS . 26646 1 123 123 ASP . 26646 1 124 124 TYR . 26646 1 125 125 ILE . 26646 1 126 126 ALA . 26646 1 127 127 LEU . 26646 1 128 128 ASN . 26646 1 129 129 GLU . 26646 1 130 130 ASP . 26646 1 131 131 LEU . 26646 1 132 132 ARG . 26646 1 133 133 THR . 26646 1 134 134 TRP . 26646 1 135 135 THR . 26646 1 136 136 ALA . 26646 1 137 137 ALA . 26646 1 138 138 ASP . 26646 1 139 139 MET . 26646 1 140 140 ALA . 26646 1 141 141 ALA . 26646 1 142 142 GLN . 26646 1 143 143 ILE . 26646 1 144 144 THR . 26646 1 145 145 ARG . 26646 1 146 146 ARG . 26646 1 147 147 LYS . 26646 1 148 148 TRP . 26646 1 149 149 GLU . 26646 1 150 150 GLN . 26646 1 151 151 ALA . 26646 1 152 152 GLY . 26646 1 153 153 ALA . 26646 1 154 154 ALA . 26646 1 155 155 GLU . 26646 1 156 156 TYR . 26646 1 157 157 TYR . 26646 1 158 158 ARG . 26646 1 159 159 ALA . 26646 1 160 160 TYR . 26646 1 161 161 LEU . 26646 1 162 162 GLU . 26646 1 163 163 GLY . 26646 1 164 164 GLU . 26646 1 165 165 CYS . 26646 1 166 166 VAL . 26646 1 167 167 GLU . 26646 1 168 168 TRP . 26646 1 169 169 LEU . 26646 1 170 170 HIS . 26646 1 171 171 ARG . 26646 1 172 172 TYR . 26646 1 173 173 LEU . 26646 1 174 174 LYS . 26646 1 175 175 ASN . 26646 1 176 176 GLY . 26646 1 177 177 ASN . 26646 1 178 178 ALA . 26646 1 179 179 THR . 26646 1 180 180 LEU . 26646 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 26646 1 . GLY 2 2 26646 1 . PRO 3 3 26646 1 . HIS 4 4 26646 1 . SER 5 5 26646 1 . MET 6 6 26646 1 . ARG 7 7 26646 1 . TYR 8 8 26646 1 . TYR 9 9 26646 1 . GLU 10 10 26646 1 . THR 11 11 26646 1 . ALA 12 12 26646 1 . THR 13 13 26646 1 . SER 14 14 26646 1 . ARG 15 15 26646 1 . ARG 16 16 26646 1 . GLY 17 17 26646 1 . LEU 18 18 26646 1 . GLY 19 19 26646 1 . GLU 20 20 26646 1 . PRO 21 21 26646 1 . ARG 22 22 26646 1 . TYR 23 23 26646 1 . THR 24 24 26646 1 . SER 25 25 26646 1 . VAL 26 26 26646 1 . GLY 27 27 26646 1 . TYR 28 28 26646 1 . VAL 29 29 26646 1 . ASP 30 30 26646 1 . ASP 31 31 26646 1 . LYS 32 32 26646 1 . GLU 33 33 26646 1 . PHE 34 34 26646 1 . VAL 35 35 26646 1 . ARG 36 36 26646 1 . PHE 37 37 26646 1 . ASP 38 38 26646 1 . SER 39 39 26646 1 . ASP 40 40 26646 1 . ALA 41 41 26646 1 . GLU 42 42 26646 1 . ASN 43 43 26646 1 . PRO 44 44 26646 1 . ARG 45 45 26646 1 . TYR 46 46 26646 1 . GLU 47 47 26646 1 . PRO 48 48 26646 1 . GLN 49 49 26646 1 . VAL 50 50 26646 1 . PRO 51 51 26646 1 . TRP 52 52 26646 1 . MET 53 53 26646 1 . GLU 54 54 26646 1 . GLN 55 55 26646 1 . GLU 56 56 26646 1 . GLY 57 57 26646 1 . PRO 58 58 26646 1 . GLU 59 59 26646 1 . TYR 60 60 26646 1 . TRP 61 61 26646 1 . GLU 62 62 26646 1 . ARG 63 63 26646 1 . ILE 64 64 26646 1 . THR 65 65 26646 1 . GLN 66 66 26646 1 . VAL 67 67 26646 1 . ALA 68 68 26646 1 . LYS 69 69 26646 1 . GLY 70 70 26646 1 . GLN 71 71 26646 1 . GLU 72 72 26646 1 . GLN 73 73 26646 1 . TRP 74 74 26646 1 . PHE 75 75 26646 1 . ARG 76 76 26646 1 . VAL 77 77 26646 1 . ASN 78 78 26646 1 . LEU 79 79 26646 1 . ARG 80 80 26646 1 . THR 81 81 26646 1 . LEU 82 82 26646 1 . LEU 83 83 26646 1 . GLY 84 84 26646 1 . TYR 85 85 26646 1 . TYR 86 86 26646 1 . ASN 87 87 26646 1 . GLN 88 88 26646 1 . SER 89 89 26646 1 . ALA 90 90 26646 1 . GLY 91 91 26646 1 . GLY 92 92 26646 1 . THR 93 93 26646 1 . HIS 94 94 26646 1 . THR 95 95 26646 1 . LEU 96 96 26646 1 . GLN 97 97 26646 1 . ARG 98 98 26646 1 . MET 99 99 26646 1 . TYR 100 100 26646 1 . GLY 101 101 26646 1 . CYS 102 102 26646 1 . ASP 103 103 26646 1 . VAL 104 104 26646 1 . GLY 105 105 26646 1 . SER 106 106 26646 1 . ASP 107 107 26646 1 . GLY 108 108 26646 1 . ARG 109 109 26646 1 . LEU 110 110 26646 1 . LEU 111 111 26646 1 . ARG 112 112 26646 1 . GLY 113 113 26646 1 . TYR 114 114 26646 1 . GLU 115 115 26646 1 . GLN 116 116 26646 1 . PHE 117 117 26646 1 . ALA 118 118 26646 1 . TYR 119 119 26646 1 . ASP 120 120 26646 1 . GLY 121 121 26646 1 . CYS 122 122 26646 1 . ASP 123 123 26646 1 . TYR 124 124 26646 1 . ILE 125 125 26646 1 . ALA 126 126 26646 1 . LEU 127 127 26646 1 . ASN 128 128 26646 1 . GLU 129 129 26646 1 . ASP 130 130 26646 1 . LEU 131 131 26646 1 . ARG 132 132 26646 1 . THR 133 133 26646 1 . TRP 134 134 26646 1 . THR 135 135 26646 1 . ALA 136 136 26646 1 . ALA 137 137 26646 1 . ASP 138 138 26646 1 . MET 139 139 26646 1 . ALA 140 140 26646 1 . ALA 141 141 26646 1 . GLN 142 142 26646 1 . ILE 143 143 26646 1 . THR 144 144 26646 1 . ARG 145 145 26646 1 . ARG 146 146 26646 1 . LYS 147 147 26646 1 . TRP 148 148 26646 1 . GLU 149 149 26646 1 . GLN 150 150 26646 1 . ALA 151 151 26646 1 . GLY 152 152 26646 1 . ALA 153 153 26646 1 . ALA 154 154 26646 1 . GLU 155 155 26646 1 . TYR 156 156 26646 1 . TYR 157 157 26646 1 . ARG 158 158 26646 1 . ALA 159 159 26646 1 . TYR 160 160 26646 1 . LEU 161 161 26646 1 . GLU 162 162 26646 1 . GLY 163 163 26646 1 . GLU 164 164 26646 1 . CYS 165 165 26646 1 . VAL 166 166 26646 1 . GLU 167 167 26646 1 . TRP 168 168 26646 1 . LEU 169 169 26646 1 . HIS 170 170 26646 1 . ARG 171 171 26646 1 . TYR 172 172 26646 1 . LEU 173 173 26646 1 . LYS 174 174 26646 1 . ASN 175 175 26646 1 . GLY 176 176 26646 1 . ASN 177 177 26646 1 . ALA 178 178 26646 1 . THR 179 179 26646 1 . LEU 180 180 26646 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 26646 _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 $mini_H2-Ld . 562 plasmid . 'Escherichia coli' enterobacteria . . Bacteria . Escherichia coli . . . . . . . . . . . . . 26646 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 26646 _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 $mini_H2-Ld . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pET28a . . . 26646 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26646 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'mini H2-Ld' '[U-100% 13C; U-100% 15N; U-80% 2H]' . . 1 $mini_H2-Ld . . 0.9 . . mM . . . . 26646 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26646 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26646 1 4 PIPES 'natural abundance' . . . . . . 20 . . mM . . . . 26646 1 5 NaCl 'natural abundance' . . . . . . 50 . . mM . . . . 26646 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 26646 _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' 0.0257 . M 26646 1 pH 6.4 . pH 26646 1 pressure 1 . atm 26646 1 temperature 298 . K 26646 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 26646 _Software.ID 1 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 26646 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26646 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 26646 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 26646 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 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 26646 _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 . 600 . . . 26646 1 2 spectrometer_2 Bruker Avance . 900 . . . 26646 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 26646 _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 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26646 1 2 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26646 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26646 1 4 '3D HN(CA)CB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26646 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26646 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26646 1 7 '3D NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 26646 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 26646 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 26646 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 26646 1 N 15 water protons . . . . ppm 4.7 internal indirect -0.10136329823 . . . . . 26646 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 26646 _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 'Chemical shift offset: 2H isotope effect for all atoms.' _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' . . . 26646 1 2 '3D HNCO' . . . 26646 1 3 '3D HNCA' . . . 26646 1 4 '3D HN(CA)CB' . . . 26646 1 5 '3D HN(CA)CO' . . . 26646 1 7 '3D NOESY' . . . 26646 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 . . 26646 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 PRO C C 13 176.698 0.1 . 1 . . . . 3 PRO C . 26646 1 2 . 1 1 3 3 PRO CA C 13 62.172 0.1 . 1 . . . . 3 PRO CA . 26646 1 3 . 1 1 3 3 PRO CB C 13 32.024 0.1 . 1 . . . . 3 PRO CB . 26646 1 4 . 1 1 4 4 HIS H H 1 8.139 0.01 . 1 . . . . 4 HIS HN . 26646 1 5 . 1 1 4 4 HIS C C 13 173.498 0.1 . 1 . . . . 4 HIS C . 26646 1 6 . 1 1 4 4 HIS CA C 13 54.791 0.1 . 1 . . . . 4 HIS CA . 26646 1 7 . 1 1 4 4 HIS CB C 13 33.855 0.1 . 1 . . . . 4 HIS CB . 26646 1 8 . 1 1 4 4 HIS N N 15 115.376 0.1 . 1 . . . . 4 HIS N . 26646 1 9 . 1 1 5 5 SER H H 1 9.380 0.01 . 1 . . . . 5 SER HN . 26646 1 10 . 1 1 5 5 SER C C 13 172.745 0.1 . 1 . . . . 5 SER C . 26646 1 11 . 1 1 5 5 SER CA C 13 56.915 0.1 . 1 . . . . 5 SER CA . 26646 1 12 . 1 1 5 5 SER CB C 13 67.131 0.1 . 1 . . . . 5 SER CB . 26646 1 13 . 1 1 5 5 SER N N 15 114.985 0.1 . 1 . . . . 5 SER N . 26646 1 14 . 1 1 6 6 MET H H 1 9.016 0.01 . 1 . . . . 6 MET HN . 26646 1 15 . 1 1 6 6 MET C C 13 175.438 0.1 . 1 . . . . 6 MET C . 26646 1 16 . 1 1 6 6 MET CA C 13 54.532 0.1 . 1 . . . . 6 MET CA . 26646 1 17 . 1 1 6 6 MET CB C 13 37.682 0.1 . 1 . . . . 6 MET CB . 26646 1 18 . 1 1 6 6 MET N N 15 123.048 0.1 . 1 . . . . 6 MET N . 26646 1 19 . 1 1 7 7 ARG H H 1 9.012 0.01 . 1 . . . . 7 ARG HN . 26646 1 20 . 1 1 7 7 ARG C C 13 174.099 0.1 . 1 . . . . 7 ARG C . 26646 1 21 . 1 1 7 7 ARG CA C 13 53.214 0.1 . 1 . . . . 7 ARG CA . 26646 1 22 . 1 1 7 7 ARG CB C 13 35.533 0.1 . 1 . . . . 7 ARG CB . 26646 1 23 . 1 1 7 7 ARG N N 15 126.667 0.1 . 1 . . . . 7 ARG N . 26646 1 24 . 1 1 8 8 TYR H H 1 8.788 0.01 . 1 . . . . 8 TYR HN . 26646 1 25 . 1 1 8 8 TYR C C 13 174.266 0.1 . 1 . . . . 8 TYR C . 26646 1 26 . 1 1 8 8 TYR CA C 13 57.258 0.1 . 1 . . . . 8 TYR CA . 26646 1 27 . 1 1 8 8 TYR CB C 13 40.768 0.1 . 1 . . . . 8 TYR CB . 26646 1 28 . 1 1 8 8 TYR N N 15 121.141 0.1 . 1 . . . . 8 TYR N . 26646 1 29 . 1 1 9 9 TYR H H 1 9.127 0.01 . 1 . . . . 9 TYR HN . 26646 1 30 . 1 1 9 9 TYR C C 13 176.738 0.1 . 1 . . . . 9 TYR C . 26646 1 31 . 1 1 9 9 TYR CA C 13 56.588 0.1 . 1 . . . . 9 TYR CA . 26646 1 32 . 1 1 9 9 TYR CB C 13 39.131 0.1 . 1 . . . . 9 TYR CB . 26646 1 33 . 1 1 9 9 TYR N N 15 119.096 0.1 . 1 . . . . 9 TYR N . 26646 1 34 . 1 1 10 10 GLU H H 1 9.990 0.01 . 1 . . . . 10 GLU HN . 26646 1 35 . 1 1 10 10 GLU C C 13 175.837 0.1 . 1 . . . . 10 GLU C . 26646 1 36 . 1 1 10 10 GLU CA C 13 54.032 0.1 . 1 . . . . 10 GLU CA . 26646 1 37 . 1 1 10 10 GLU CB C 13 33.150 0.1 . 1 . . . . 10 GLU CB . 26646 1 38 . 1 1 10 10 GLU N N 15 126.354 0.1 . 1 . . . . 10 GLU N . 26646 1 39 . 1 1 11 11 THR H H 1 9.100 0.01 . 1 . . . . 11 THR HN . 26646 1 40 . 1 1 11 11 THR C C 13 172.441 0.1 . 1 . . . . 11 THR C . 26646 1 41 . 1 1 11 11 THR CA C 13 61.302 0.1 . 1 . . . . 11 THR CA . 26646 1 42 . 1 1 11 11 THR CB C 13 71.275 0.1 . 1 . . . . 11 THR CB . 26646 1 43 . 1 1 11 11 THR N N 15 119.367 0.1 . 1 . . . . 11 THR N . 26646 1 44 . 1 1 12 12 ALA H H 1 9.065 0.01 . 1 . . . . 12 ALA HN . 26646 1 45 . 1 1 12 12 ALA C C 13 175.722 0.1 . 1 . . . . 12 ALA C . 26646 1 46 . 1 1 12 12 ALA CA C 13 49.891 0.1 . 1 . . . . 12 ALA CA . 26646 1 47 . 1 1 12 12 ALA CB C 13 21.789 0.1 . 1 . . . . 12 ALA CB . 26646 1 48 . 1 1 12 12 ALA N N 15 129.009 0.1 . 1 . . . . 12 ALA N . 26646 1 49 . 1 1 13 13 THR H H 1 8.561 0.01 . 1 . . . . 13 THR HN . 26646 1 50 . 1 1 13 13 THR C C 13 175.030 0.1 . 1 . . . . 13 THR C . 26646 1 51 . 1 1 13 13 THR CA C 13 59.931 0.1 . 1 . . . . 13 THR CA . 26646 1 52 . 1 1 13 13 THR CB C 13 71.451 0.1 . 1 . . . . 13 THR CB . 26646 1 53 . 1 1 13 13 THR N N 15 119.246 0.1 . 1 . . . . 13 THR N . 26646 1 54 . 1 1 14 14 SER H H 1 9.355 0.01 . 1 . . . . 14 SER HN . 26646 1 55 . 1 1 14 14 SER C C 13 173.052 0.1 . 1 . . . . 14 SER C . 26646 1 56 . 1 1 14 14 SER CA C 13 57.031 0.1 . 1 . . . . 14 SER CA . 26646 1 57 . 1 1 14 14 SER CB C 13 64.352 0.1 . 1 . . . . 14 SER CB . 26646 1 58 . 1 1 14 14 SER N N 15 123.363 0.1 . 1 . . . . 14 SER N . 26646 1 59 . 1 1 15 15 ARG H H 1 8.718 0.01 . 1 . . . . 15 ARG HN . 26646 1 60 . 1 1 15 15 ARG C C 13 175.790 0.1 . 1 . . . . 15 ARG C . 26646 1 61 . 1 1 15 15 ARG CA C 13 54.397 0.1 . 1 . . . . 15 ARG CA . 26646 1 62 . 1 1 15 15 ARG CB C 13 31.506 0.1 . 1 . . . . 15 ARG CB . 26646 1 63 . 1 1 15 15 ARG N N 15 121.057 0.1 . 1 . . . . 15 ARG N . 26646 1 64 . 1 1 16 16 ARG H H 1 8.157 0.01 . 1 . . . . 16 ARG HN . 26646 1 65 . 1 1 16 16 ARG C C 13 177.032 0.1 . 1 . . . . 16 ARG C . 26646 1 66 . 1 1 16 16 ARG CA C 13 56.552 0.1 . 1 . . . . 16 ARG CA . 26646 1 67 . 1 1 16 16 ARG CB C 13 28.840 0.1 . 1 . . . . 16 ARG CB . 26646 1 68 . 1 1 16 16 ARG N N 15 121.541 0.1 . 1 . . . . 16 ARG N . 26646 1 69 . 1 1 17 17 GLY H H 1 8.387 0.01 . 1 . . . . 17 GLY HN . 26646 1 70 . 1 1 17 17 GLY C C 13 173.763 0.1 . 1 . . . . 17 GLY C . 26646 1 71 . 1 1 17 17 GLY CA C 13 45.024 0.1 . 1 . . . . 17 GLY CA . 26646 1 72 . 1 1 17 17 GLY N N 15 111.863 0.1 . 1 . . . . 17 GLY N . 26646 1 73 . 1 1 18 18 LEU H H 1 7.977 0.01 . 1 . . . . 18 LEU HN . 26646 1 74 . 1 1 18 18 LEU C C 13 177.480 0.1 . 1 . . . . 18 LEU C . 26646 1 75 . 1 1 18 18 LEU CA C 13 54.267 0.1 . 1 . . . . 18 LEU CA . 26646 1 76 . 1 1 18 18 LEU CB C 13 41.705 0.1 . 1 . . . . 18 LEU CB . 26646 1 77 . 1 1 18 18 LEU N N 15 122.419 0.1 . 1 . . . . 18 LEU N . 26646 1 78 . 1 1 19 19 GLY H H 1 8.192 0.01 . 1 . . . . 19 GLY HN . 26646 1 79 . 1 1 19 19 GLY C C 13 173.743 0.1 . 1 . . . . 19 GLY C . 26646 1 80 . 1 1 19 19 GLY CA C 13 44.681 0.1 . 1 . . . . 19 GLY CA . 26646 1 81 . 1 1 19 19 GLY N N 15 109.586 0.1 . 1 . . . . 19 GLY N . 26646 1 82 . 1 1 20 20 GLU H H 1 8.229 0.01 . 1 . . . . 20 GLU HN . 26646 1 83 . 1 1 20 20 GLU CA C 13 53.684 0.1 . 1 . . . . 20 GLU CA . 26646 1 84 . 1 1 20 20 GLU CB C 13 28.243 0.1 . 1 . . . . 20 GLU CB . 26646 1 85 . 1 1 20 20 GLU N N 15 121.362 0.1 . 1 . . . . 20 GLU N . 26646 1 86 . 1 1 21 21 PRO C C 13 176.043 0.1 . 1 . . . . 21 PRO C . 26646 1 87 . 1 1 21 21 PRO CA C 13 62.502 0.1 . 1 . . . . 21 PRO CA . 26646 1 88 . 1 1 21 21 PRO CB C 13 31.205 0.1 . 1 . . . . 21 PRO CB . 26646 1 89 . 1 1 22 22 ARG H H 1 8.329 0.01 . 1 . . . . 22 ARG HN . 26646 1 90 . 1 1 22 22 ARG C C 13 174.682 0.1 . 1 . . . . 22 ARG C . 26646 1 91 . 1 1 22 22 ARG CA C 13 55.451 0.1 . 1 . . . . 22 ARG CA . 26646 1 92 . 1 1 22 22 ARG CB C 13 30.483 0.1 . 1 . . . . 22 ARG CB . 26646 1 93 . 1 1 22 22 ARG N N 15 123.850 0.1 . 1 . . . . 22 ARG N . 26646 1 94 . 1 1 23 23 TYR H H 1 9.432 0.01 . 1 . . . . 23 TYR HN . 26646 1 95 . 1 1 23 23 TYR C C 13 173.356 0.1 . 1 . . . . 23 TYR C . 26646 1 96 . 1 1 23 23 TYR CA C 13 54.393 0.1 . 1 . . . . 23 TYR CA . 26646 1 97 . 1 1 23 23 TYR CB C 13 40.988 0.1 . 1 . . . . 23 TYR CB . 26646 1 98 . 1 1 23 23 TYR N N 15 133.541 0.1 . 1 . . . . 23 TYR N . 26646 1 99 . 1 1 24 24 THR H H 1 8.785 0.01 . 1 . . . . 24 THR HN . 26646 1 100 . 1 1 24 24 THR C C 13 172.655 0.1 . 1 . . . . 24 THR C . 26646 1 101 . 1 1 24 24 THR CA C 13 58.396 0.1 . 1 . . . . 24 THR CA . 26646 1 102 . 1 1 24 24 THR CB C 13 71.844 0.1 . 1 . . . . 24 THR CB . 26646 1 103 . 1 1 24 24 THR N N 15 119.423 0.1 . 1 . . . . 24 THR N . 26646 1 104 . 1 1 25 25 SER H H 1 8.590 0.01 . 1 . . . . 25 SER HN . 26646 1 105 . 1 1 25 25 SER C C 13 173.726 0.1 . 1 . . . . 25 SER C . 26646 1 106 . 1 1 25 25 SER CA C 13 56.131 0.1 . 1 . . . . 25 SER CA . 26646 1 107 . 1 1 25 25 SER CB C 13 63.566 0.1 . 1 . . . . 25 SER CB . 26646 1 108 . 1 1 25 25 SER N N 15 116.280 0.1 . 1 . . . . 25 SER N . 26646 1 109 . 1 1 26 26 VAL H H 1 8.837 0.01 . 1 . . . . 26 VAL HN . 26646 1 110 . 1 1 26 26 VAL C C 13 174.851 0.1 . 1 . . . . 26 VAL C . 26646 1 111 . 1 1 26 26 VAL CA C 13 61.138 0.1 . 1 . . . . 26 VAL CA . 26646 1 112 . 1 1 26 26 VAL CB C 13 33.575 0.1 . 1 . . . . 26 VAL CB . 26646 1 113 . 1 1 26 26 VAL N N 15 128.960 0.1 . 1 . . . . 26 VAL N . 26646 1 114 . 1 1 27 27 GLY H H 1 8.195 0.01 . 1 . . . . 27 GLY HN . 26646 1 115 . 1 1 27 27 GLY C C 13 172.960 0.1 . 1 . . . . 27 GLY C . 26646 1 116 . 1 1 27 27 GLY CA C 13 44.422 0.1 . 1 . . . . 27 GLY CA . 26646 1 117 . 1 1 27 27 GLY N N 15 112.376 0.1 . 1 . . . . 27 GLY N . 26646 1 118 . 1 1 28 28 TYR H H 1 9.717 0.01 . 1 . . . . 28 TYR HN . 26646 1 119 . 1 1 28 28 TYR C C 13 175.575 0.1 . 1 . . . . 28 TYR C . 26646 1 120 . 1 1 28 28 TYR CA C 13 57.378 0.1 . 1 . . . . 28 TYR CA . 26646 1 121 . 1 1 28 28 TYR CB C 13 42.307 0.1 . 1 . . . . 28 TYR CB . 26646 1 122 . 1 1 28 28 TYR N N 15 123.895 0.1 . 1 . . . . 28 TYR N . 26646 1 123 . 1 1 29 29 VAL H H 1 8.614 0.01 . 1 . . . . 29 VAL HN . 26646 1 124 . 1 1 29 29 VAL C C 13 176.436 0.1 . 1 . . . . 29 VAL C . 26646 1 125 . 1 1 29 29 VAL CA C 13 61.223 0.1 . 1 . . . . 29 VAL CA . 26646 1 126 . 1 1 29 29 VAL CB C 13 33.434 0.1 . 1 . . . . 29 VAL CB . 26646 1 127 . 1 1 29 29 VAL N N 15 122.453 0.1 . 1 . . . . 29 VAL N . 26646 1 128 . 1 1 30 30 ASP H H 1 9.910 0.01 . 1 . . . . 30 ASP HN . 26646 1 129 . 1 1 30 30 ASP CA C 13 55.520 0.1 . 1 . . . . 30 ASP CA . 26646 1 130 . 1 1 30 30 ASP CB C 13 37.596 0.1 . 1 . . . . 30 ASP CB . 26646 1 131 . 1 1 30 30 ASP N N 15 131.113 0.1 . 1 . . . . 30 ASP N . 26646 1 132 . 1 1 31 31 ASP C C 13 174.923 0.1 . 1 . . . . 31 ASP C . 26646 1 133 . 1 1 32 32 LYS H H 1 8.251 0.01 . 1 . . . . 32 LYS HN . 26646 1 134 . 1 1 32 32 LYS C C 13 175.714 0.1 . 1 . . . . 32 LYS C . 26646 1 135 . 1 1 32 32 LYS CA C 13 54.395 0.1 . 1 . . . . 32 LYS CA . 26646 1 136 . 1 1 32 32 LYS CB C 13 32.884 0.1 . 1 . . . . 32 LYS CB . 26646 1 137 . 1 1 32 32 LYS N N 15 121.777 0.1 . 1 . . . . 32 LYS N . 26646 1 138 . 1 1 33 33 GLU H H 1 8.848 0.01 . 1 . . . . 33 GLU HN . 26646 1 139 . 1 1 33 33 GLU C C 13 176.462 0.1 . 1 . . . . 33 GLU C . 26646 1 140 . 1 1 33 33 GLU CA C 13 56.303 0.1 . 1 . . . . 33 GLU CA . 26646 1 141 . 1 1 33 33 GLU CB C 13 28.742 0.1 . 1 . . . . 33 GLU CB . 26646 1 142 . 1 1 33 33 GLU N N 15 129.254 0.1 . 1 . . . . 33 GLU N . 26646 1 143 . 1 1 34 34 PHE H H 1 9.175 0.01 . 1 . . . . 34 PHE HN . 26646 1 144 . 1 1 34 34 PHE C C 13 175.189 0.1 . 1 . . . . 34 PHE C . 26646 1 145 . 1 1 34 34 PHE CA C 13 56.609 0.1 . 1 . . . . 34 PHE CA . 26646 1 146 . 1 1 34 34 PHE CB C 13 41.475 0.1 . 1 . . . . 34 PHE CB . 26646 1 147 . 1 1 34 34 PHE N N 15 122.477 0.1 . 1 . . . . 34 PHE N . 26646 1 148 . 1 1 35 35 VAL H H 1 6.803 0.01 . 1 . . . . 35 VAL HN . 26646 1 149 . 1 1 35 35 VAL C C 13 173.331 0.1 . 1 . . . . 35 VAL C . 26646 1 150 . 1 1 35 35 VAL CA C 13 59.934 0.1 . 1 . . . . 35 VAL CA . 26646 1 151 . 1 1 35 35 VAL CB C 13 36.445 0.1 . 1 . . . . 35 VAL CB . 26646 1 152 . 1 1 35 35 VAL N N 15 116.534 0.1 . 1 . . . . 35 VAL N . 26646 1 153 . 1 1 36 36 ARG H H 1 7.998 0.01 . 1 . . . . 36 ARG HN . 26646 1 154 . 1 1 36 36 ARG C C 13 173.726 0.1 . 1 . . . . 36 ARG C . 26646 1 155 . 1 1 36 36 ARG CA C 13 55.987 0.1 . 1 . . . . 36 ARG CA . 26646 1 156 . 1 1 36 36 ARG CB C 13 34.036 0.1 . 1 . . . . 36 ARG CB . 26646 1 157 . 1 1 36 36 ARG N N 15 120.070 0.1 . 1 . . . . 36 ARG N . 26646 1 158 . 1 1 37 37 PHE H H 1 9.406 0.01 . 1 . . . . 37 PHE HN . 26646 1 159 . 1 1 37 37 PHE C C 13 172.984 0.1 . 1 . . . . 37 PHE C . 26646 1 160 . 1 1 37 37 PHE CA C 13 56.615 0.1 . 1 . . . . 37 PHE CA . 26646 1 161 . 1 1 37 37 PHE N N 15 129.457 0.1 . 1 . . . . 37 PHE N . 26646 1 162 . 1 1 38 38 ASP H H 1 7.607 0.01 . 1 . . . . 38 ASP HN . 26646 1 163 . 1 1 38 38 ASP C C 13 175.673 0.1 . 1 . . . . 38 ASP C . 26646 1 164 . 1 1 38 38 ASP CA C 13 52.273 0.1 . 1 . . . . 38 ASP CA . 26646 1 165 . 1 1 38 38 ASP CB C 13 42.978 0.1 . 1 . . . . 38 ASP CB . 26646 1 166 . 1 1 38 38 ASP N N 15 128.706 0.1 . 1 . . . . 38 ASP N . 26646 1 167 . 1 1 39 39 SER H H 1 9.250 0.01 . 1 . . . . 39 SER HN . 26646 1 168 . 1 1 39 39 SER C C 13 174.588 0.1 . 1 . . . . 39 SER C . 26646 1 169 . 1 1 39 39 SER CA C 13 60.960 0.1 . 1 . . . . 39 SER CA . 26646 1 170 . 1 1 39 39 SER CB C 13 62.622 0.1 . 1 . . . . 39 SER CB . 26646 1 171 . 1 1 39 39 SER N N 15 123.169 0.1 . 1 . . . . 39 SER N . 26646 1 172 . 1 1 40 40 ASP H H 1 8.329 0.01 . 1 . . . . 40 ASP HN . 26646 1 173 . 1 1 40 40 ASP C C 13 176.478 0.1 . 1 . . . . 40 ASP C . 26646 1 174 . 1 1 40 40 ASP CA C 13 53.798 0.1 . 1 . . . . 40 ASP CA . 26646 1 175 . 1 1 40 40 ASP CB C 13 39.940 0.1 . 1 . . . . 40 ASP CB . 26646 1 176 . 1 1 40 40 ASP N N 15 122.599 0.1 . 1 . . . . 40 ASP N . 26646 1 177 . 1 1 41 41 ALA H H 1 7.233 0.01 . 1 . . . . 41 ALA HN . 26646 1 178 . 1 1 41 41 ALA C C 13 176.281 0.1 . 1 . . . . 41 ALA C . 26646 1 179 . 1 1 41 41 ALA CA C 13 51.408 0.1 . 1 . . . . 41 ALA CA . 26646 1 180 . 1 1 41 41 ALA CB C 13 19.013 0.1 . 1 . . . . 41 ALA CB . 26646 1 181 . 1 1 41 41 ALA N N 15 123.590 0.1 . 1 . . . . 41 ALA N . 26646 1 182 . 1 1 42 42 GLU H H 1 8.294 0.01 . 1 . . . . 42 GLU HN . 26646 1 183 . 1 1 42 42 GLU C C 13 177.114 0.1 . 1 . . . . 42 GLU C . 26646 1 184 . 1 1 42 42 GLU CA C 13 58.481 0.1 . 1 . . . . 42 GLU CA . 26646 1 185 . 1 1 42 42 GLU CB C 13 28.631 0.1 . 1 . . . . 42 GLU CB . 26646 1 186 . 1 1 42 42 GLU N N 15 120.859 0.1 . 1 . . . . 42 GLU N . 26646 1 187 . 1 1 43 43 ASN H H 1 8.143 0.01 . 1 . . . . 43 ASN HN . 26646 1 188 . 1 1 43 43 ASN CA C 13 50.282 0.1 . 1 . . . . 43 ASN CA . 26646 1 189 . 1 1 43 43 ASN CB C 13 38.073 0.1 . 1 . . . . 43 ASN CB . 26646 1 190 . 1 1 43 43 ASN N N 15 115.945 0.1 . 1 . . . . 43 ASN N . 26646 1 191 . 1 1 44 44 PRO C C 13 175.462 0.1 . 1 . . . . 44 PRO C . 26646 1 192 . 1 1 44 44 PRO CA C 13 63.226 0.1 . 1 . . . . 44 PRO CA . 26646 1 193 . 1 1 45 45 ARG H H 1 7.769 0.01 . 1 . . . . 45 ARG HN . 26646 1 194 . 1 1 45 45 ARG C C 13 176.455 0.1 . 1 . . . . 45 ARG C . 26646 1 195 . 1 1 45 45 ARG CA C 13 54.585 0.1 . 1 . . . . 45 ARG CA . 26646 1 196 . 1 1 45 45 ARG CB C 13 31.279 0.1 . 1 . . . . 45 ARG CB . 26646 1 197 . 1 1 45 45 ARG N N 15 121.903 0.1 . 1 . . . . 45 ARG N . 26646 1 198 . 1 1 46 46 TYR H H 1 8.025 0.01 . 1 . . . . 46 TYR HN . 26646 1 199 . 1 1 46 46 TYR C C 13 176.168 0.1 . 1 . . . . 46 TYR C . 26646 1 200 . 1 1 46 46 TYR CA C 13 60.269 0.1 . 1 . . . . 46 TYR CA . 26646 1 201 . 1 1 46 46 TYR CB C 13 38.912 0.1 . 1 . . . . 46 TYR CB . 26646 1 202 . 1 1 46 46 TYR N N 15 120.498 0.1 . 1 . . . . 46 TYR N . 26646 1 203 . 1 1 47 47 GLU H H 1 8.626 0.01 . 1 . . . . 47 GLU HN . 26646 1 204 . 1 1 47 47 GLU CA C 13 52.073 0.1 . 1 . . . . 47 GLU CA . 26646 1 205 . 1 1 47 47 GLU CB C 13 31.086 0.1 . 1 . . . . 47 GLU CB . 26646 1 206 . 1 1 47 47 GLU N N 15 118.972 0.1 . 1 . . . . 47 GLU N . 26646 1 207 . 1 1 48 48 PRO C C 13 176.818 0.1 . 1 . . . . 48 PRO C . 26646 1 208 . 1 1 48 48 PRO CA C 13 61.792 0.1 . 1 . . . . 48 PRO CA . 26646 1 209 . 1 1 48 48 PRO CB C 13 31.671 0.1 . 1 . . . . 48 PRO CB . 26646 1 210 . 1 1 49 49 GLN H H 1 7.818 0.01 . 1 . . . . 49 GLN HN . 26646 1 211 . 1 1 49 49 GLN C C 13 173.712 0.1 . 1 . . . . 49 GLN C . 26646 1 212 . 1 1 49 49 GLN CA C 13 53.026 0.1 . 1 . . . . 49 GLN CA . 26646 1 213 . 1 1 49 49 GLN CB C 13 29.487 0.1 . 1 . . . . 49 GLN CB . 26646 1 214 . 1 1 49 49 GLN N N 15 117.291 0.1 . 1 . . . . 49 GLN N . 26646 1 215 . 1 1 50 50 VAL H H 1 6.905 0.01 . 1 . . . . 50 VAL HN . 26646 1 216 . 1 1 50 50 VAL CA C 13 56.319 0.1 . 1 . . . . 50 VAL CA . 26646 1 217 . 1 1 50 50 VAL CB C 13 34.009 0.1 . 1 . . . . 50 VAL CB . 26646 1 218 . 1 1 50 50 VAL N N 15 111.619 0.1 . 1 . . . . 50 VAL N . 26646 1 219 . 1 1 51 51 PRO C C 13 179.161 0.1 . 1 . . . . 51 PRO C . 26646 1 220 . 1 1 51 51 PRO CA C 13 64.508 0.1 . 1 . . . . 51 PRO CA . 26646 1 221 . 1 1 51 51 PRO CB C 13 31.076 0.1 . 1 . . . . 51 PRO CB . 26646 1 222 . 1 1 52 52 TRP H H 1 6.677 0.01 . 1 . . . . 52 TRP HN . 26646 1 223 . 1 1 52 52 TRP C C 13 178.125 0.1 . 1 . . . . 52 TRP C . 26646 1 224 . 1 1 52 52 TRP CA C 13 55.869 0.1 . 1 . . . . 52 TRP CA . 26646 1 225 . 1 1 52 52 TRP CB C 13 27.316 0.1 . 1 . . . . 52 TRP CB . 26646 1 226 . 1 1 52 52 TRP N N 15 112.370 0.1 . 1 . . . . 52 TRP N . 26646 1 227 . 1 1 53 53 MET H H 1 7.034 0.01 . 1 . . . . 53 MET HN . 26646 1 228 . 1 1 53 53 MET C C 13 178.130 0.1 . 1 . . . . 53 MET C . 26646 1 229 . 1 1 53 53 MET CA C 13 53.645 0.1 . 1 . . . . 53 MET CA . 26646 1 230 . 1 1 53 53 MET CB C 13 30.597 0.1 . 1 . . . . 53 MET CB . 26646 1 231 . 1 1 53 53 MET N N 15 118.215 0.1 . 1 . . . . 53 MET N . 26646 1 232 . 1 1 54 54 GLU H H 1 7.832 0.01 . 1 . . . . 54 GLU HN . 26646 1 233 . 1 1 54 54 GLU C C 13 176.575 0.1 . 1 . . . . 54 GLU C . 26646 1 234 . 1 1 54 54 GLU CA C 13 58.205 0.1 . 1 . . . . 54 GLU CA . 26646 1 235 . 1 1 54 54 GLU CB C 13 28.173 0.1 . 1 . . . . 54 GLU CB . 26646 1 236 . 1 1 54 54 GLU N N 15 119.684 0.1 . 1 . . . . 54 GLU N . 26646 1 237 . 1 1 55 55 GLN H H 1 7.551 0.01 . 1 . . . . 55 GLN HN . 26646 1 238 . 1 1 55 55 GLN C C 13 177.277 0.1 . 1 . . . . 55 GLN C . 26646 1 239 . 1 1 55 55 GLN CA C 13 56.298 0.1 . 1 . . . . 55 GLN CA . 26646 1 240 . 1 1 55 55 GLN CB C 13 28.677 0.1 . 1 . . . . 55 GLN CB . 26646 1 241 . 1 1 55 55 GLN N N 15 114.681 0.1 . 1 . . . . 55 GLN N . 26646 1 242 . 1 1 56 56 GLU H H 1 7.435 0.01 . 1 . . . . 56 GLU HN . 26646 1 243 . 1 1 56 56 GLU C C 13 177.839 0.1 . 1 . . . . 56 GLU C . 26646 1 244 . 1 1 56 56 GLU CA C 13 55.622 0.1 . 1 . . . . 56 GLU CA . 26646 1 245 . 1 1 56 56 GLU CB C 13 28.486 0.1 . 1 . . . . 56 GLU CB . 26646 1 246 . 1 1 56 56 GLU N N 15 119.889 0.1 . 1 . . . . 56 GLU N . 26646 1 247 . 1 1 57 57 GLY H H 1 8.851 0.01 . 1 . . . . 57 GLY HN . 26646 1 248 . 1 1 57 57 GLY CA C 13 44.625 0.1 . 1 . . . . 57 GLY CA . 26646 1 249 . 1 1 57 57 GLY N N 15 110.981 0.1 . 1 . . . . 57 GLY N . 26646 1 250 . 1 1 58 58 PRO C C 13 179.218 0.1 . 1 . . . . 58 PRO C . 26646 1 251 . 1 1 58 58 PRO CA C 13 65.316 0.1 . 1 . . . . 58 PRO CA . 26646 1 252 . 1 1 58 58 PRO CB C 13 31.343 0.1 . 1 . . . . 58 PRO CB . 26646 1 253 . 1 1 59 59 GLU H H 1 9.055 0.01 . 1 . . . . 59 GLU HN . 26646 1 254 . 1 1 59 59 GLU C C 13 178.588 0.1 . 1 . . . . 59 GLU C . 26646 1 255 . 1 1 59 59 GLU CA C 13 59.223 0.1 . 1 . . . . 59 GLU CA . 26646 1 256 . 1 1 59 59 GLU CB C 13 27.858 0.1 . 1 . . . . 59 GLU CB . 26646 1 257 . 1 1 59 59 GLU N N 15 118.337 0.1 . 1 . . . . 59 GLU N . 26646 1 258 . 1 1 60 60 TYR H H 1 7.730 0.01 . 1 . . . . 60 TYR HN . 26646 1 259 . 1 1 60 60 TYR C C 13 176.153 0.1 . 1 . . . . 60 TYR C . 26646 1 260 . 1 1 60 60 TYR CA C 13 61.413 0.1 . 1 . . . . 60 TYR CA . 26646 1 261 . 1 1 60 60 TYR CB C 13 37.357 0.1 . 1 . . . . 60 TYR CB . 26646 1 262 . 1 1 60 60 TYR N N 15 122.661 0.1 . 1 . . . . 60 TYR N . 26646 1 263 . 1 1 61 61 TRP H H 1 6.852 0.01 . 1 . . . . 61 TRP HN . 26646 1 264 . 1 1 61 61 TRP C C 13 179.426 0.1 . 1 . . . . 61 TRP C . 26646 1 265 . 1 1 61 61 TRP CA C 13 58.639 0.1 . 1 . . . . 61 TRP CA . 26646 1 266 . 1 1 61 61 TRP CB C 13 28.475 0.1 . 1 . . . . 61 TRP CB . 26646 1 267 . 1 1 61 61 TRP N N 15 119.414 0.1 . 1 . . . . 61 TRP N . 26646 1 268 . 1 1 62 62 GLU H H 1 8.379 0.01 . 1 . . . . 62 GLU HN . 26646 1 269 . 1 1 62 62 GLU C C 13 179.074 0.1 . 1 . . . . 62 GLU C . 26646 1 270 . 1 1 62 62 GLU CA C 13 59.010 0.1 . 1 . . . . 62 GLU CA . 26646 1 271 . 1 1 62 62 GLU CB C 13 28.811 0.1 . 1 . . . . 62 GLU CB . 26646 1 272 . 1 1 62 62 GLU N N 15 121.559 0.1 . 1 . . . . 62 GLU N . 26646 1 273 . 1 1 63 63 ARG H H 1 8.100 0.01 . 1 . . . . 63 ARG HN . 26646 1 274 . 1 1 63 63 ARG C C 13 180.695 0.1 . 1 . . . . 63 ARG C . 26646 1 275 . 1 1 63 63 ARG CA C 13 59.429 0.1 . 1 . . . . 63 ARG CA . 26646 1 276 . 1 1 63 63 ARG CB C 13 29.192 0.1 . 1 . . . . 63 ARG CB . 26646 1 277 . 1 1 63 63 ARG N N 15 120.471 0.1 . 1 . . . . 63 ARG N . 26646 1 278 . 1 1 64 64 ILE H H 1 8.219 0.01 . 1 . . . . 64 ILE HN . 26646 1 279 . 1 1 64 64 ILE C C 13 178.547 0.1 . 1 . . . . 64 ILE C . 26646 1 280 . 1 1 64 64 ILE CA C 13 65.070 0.1 . 1 . . . . 64 ILE CA . 26646 1 281 . 1 1 64 64 ILE CB C 13 35.725 0.1 . 1 . . . . 64 ILE CB . 26646 1 282 . 1 1 64 64 ILE N N 15 113.125 0.1 . 1 . . . . 64 ILE N . 26646 1 283 . 1 1 65 65 THR H H 1 7.866 0.01 . 1 . . . . 65 THR HN . 26646 1 284 . 1 1 65 65 THR C C 13 175.286 0.1 . 1 . . . . 65 THR C . 26646 1 285 . 1 1 65 65 THR CA C 13 68.053 0.1 . 1 . . . . 65 THR CA . 26646 1 286 . 1 1 65 65 THR CB C 13 67.778 0.1 . 1 . . . . 65 THR CB . 26646 1 287 . 1 1 65 65 THR N N 15 122.454 0.1 . 1 . . . . 65 THR N . 26646 1 288 . 1 1 66 66 GLN H H 1 7.801 0.01 . 1 . . . . 66 GLN HN . 26646 1 289 . 1 1 66 66 GLN C C 13 179.685 0.1 . 1 . . . . 66 GLN C . 26646 1 290 . 1 1 66 66 GLN CA C 13 58.728 0.1 . 1 . . . . 66 GLN CA . 26646 1 291 . 1 1 66 66 GLN CB C 13 26.931 0.1 . 1 . . . . 66 GLN CB . 26646 1 292 . 1 1 66 66 GLN N N 15 121.465 0.1 . 1 . . . . 66 GLN N . 26646 1 293 . 1 1 67 67 VAL H H 1 7.255 0.01 . 1 . . . . 67 VAL HN . 26646 1 294 . 1 1 67 67 VAL C C 13 177.375 0.1 . 1 . . . . 67 VAL C . 26646 1 295 . 1 1 67 67 VAL CA C 13 66.320 0.1 . 1 . . . . 67 VAL CA . 26646 1 296 . 1 1 67 67 VAL CB C 13 29.800 0.1 . 1 . . . . 67 VAL CB . 26646 1 297 . 1 1 67 67 VAL N N 15 122.111 0.1 . 1 . . . . 67 VAL N . 26646 1 298 . 1 1 68 68 ALA H H 1 7.393 0.01 . 1 . . . . 68 ALA HN . 26646 1 299 . 1 1 68 68 ALA C C 13 179.283 0.1 . 1 . . . . 68 ALA C . 26646 1 300 . 1 1 68 68 ALA CA C 13 54.550 0.1 . 1 . . . . 68 ALA CA . 26646 1 301 . 1 1 68 68 ALA CB C 13 16.233 0.1 . 1 . . . . 68 ALA CB . 26646 1 302 . 1 1 68 68 ALA N N 15 122.670 0.1 . 1 . . . . 68 ALA N . 26646 1 303 . 1 1 69 69 LYS H H 1 8.050 0.01 . 1 . . . . 69 LYS HN . 26646 1 304 . 1 1 69 69 LYS C C 13 181.001 0.1 . 1 . . . . 69 LYS C . 26646 1 305 . 1 1 69 69 LYS CA C 13 58.352 0.1 . 1 . . . . 69 LYS CA . 26646 1 306 . 1 1 69 69 LYS CB C 13 30.655 0.1 . 1 . . . . 69 LYS CB . 26646 1 307 . 1 1 69 69 LYS N N 15 116.391 0.1 . 1 . . . . 69 LYS N . 26646 1 308 . 1 1 70 70 GLY H H 1 7.781 0.01 . 1 . . . . 70 GLY HN . 26646 1 309 . 1 1 70 70 GLY C C 13 176.915 0.1 . 1 . . . . 70 GLY C . 26646 1 310 . 1 1 70 70 GLY CA C 13 46.377 0.1 . 1 . . . . 70 GLY CA . 26646 1 311 . 1 1 70 70 GLY N N 15 108.981 0.1 . 1 . . . . 70 GLY N . 26646 1 312 . 1 1 71 71 GLN H H 1 8.836 0.01 . 1 . . . . 71 GLN HN . 26646 1 313 . 1 1 71 71 GLN C C 13 178.332 0.1 . 1 . . . . 71 GLN C . 26646 1 314 . 1 1 71 71 GLN CA C 13 57.434 0.1 . 1 . . . . 71 GLN CA . 26646 1 315 . 1 1 71 71 GLN CB C 13 27.195 0.1 . 1 . . . . 71 GLN CB . 26646 1 316 . 1 1 71 71 GLN N N 15 128.707 0.1 . 1 . . . . 71 GLN N . 26646 1 317 . 1 1 72 72 GLU H H 1 8.820 0.01 . 1 . . . . 72 GLU HN . 26646 1 318 . 1 1 72 72 GLU C C 13 179.329 0.1 . 1 . . . . 72 GLU C . 26646 1 319 . 1 1 72 72 GLU CA C 13 59.634 0.1 . 1 . . . . 72 GLU CA . 26646 1 320 . 1 1 72 72 GLU CB C 13 28.920 0.1 . 1 . . . . 72 GLU CB . 26646 1 321 . 1 1 72 72 GLU N N 15 122.006 0.1 . 1 . . . . 72 GLU N . 26646 1 322 . 1 1 73 73 GLN H H 1 6.980 0.01 . 1 . . . . 73 GLN HN . 26646 1 323 . 1 1 73 73 GLN C C 13 177.473 0.1 . 1 . . . . 73 GLN C . 26646 1 324 . 1 1 73 73 GLN CA C 13 57.971 0.1 . 1 . . . . 73 GLN CA . 26646 1 325 . 1 1 73 73 GLN CB C 13 26.814 0.1 . 1 . . . . 73 GLN CB . 26646 1 326 . 1 1 73 73 GLN N N 15 116.493 0.1 . 1 . . . . 73 GLN N . 26646 1 327 . 1 1 74 74 TRP H H 1 7.843 0.01 . 1 . . . . 74 TRP HN . 26646 1 328 . 1 1 74 74 TRP C C 13 180.876 0.1 . 1 . . . . 74 TRP C . 26646 1 329 . 1 1 74 74 TRP CA C 13 62.228 0.1 . 1 . . . . 74 TRP CA . 26646 1 330 . 1 1 74 74 TRP CB C 13 28.128 0.1 . 1 . . . . 74 TRP CB . 26646 1 331 . 1 1 74 74 TRP N N 15 122.736 0.1 . 1 . . . . 74 TRP N . 26646 1 332 . 1 1 75 75 PHE H H 1 9.241 0.01 . 1 . . . . 75 PHE HN . 26646 1 333 . 1 1 75 75 PHE C C 13 177.743 0.1 . 1 . . . . 75 PHE C . 26646 1 334 . 1 1 75 75 PHE CA C 13 62.990 0.1 . 1 . . . . 75 PHE CA . 26646 1 335 . 1 1 75 75 PHE CB C 13 38.554 0.1 . 1 . . . . 75 PHE CB . 26646 1 336 . 1 1 75 75 PHE N N 15 120.965 0.1 . 1 . . . . 75 PHE N . 26646 1 337 . 1 1 76 76 ARG H H 1 7.786 0.01 . 1 . . . . 76 ARG HN . 26646 1 338 . 1 1 76 76 ARG C C 13 179.493 0.1 . 1 . . . . 76 ARG C . 26646 1 339 . 1 1 76 76 ARG CA C 13 60.017 0.1 . 1 . . . . 76 ARG CA . 26646 1 340 . 1 1 76 76 ARG CB C 13 29.330 0.1 . 1 . . . . 76 ARG CB . 26646 1 341 . 1 1 76 76 ARG N N 15 118.547 0.1 . 1 . . . . 76 ARG N . 26646 1 342 . 1 1 77 77 VAL H H 1 7.366 0.01 . 1 . . . . 77 VAL HN . 26646 1 343 . 1 1 77 77 VAL C C 13 178.129 0.1 . 1 . . . . 77 VAL C . 26646 1 344 . 1 1 77 77 VAL CA C 13 65.129 0.1 . 1 . . . . 77 VAL CA . 26646 1 345 . 1 1 77 77 VAL CB C 13 31.379 0.1 . 1 . . . . 77 VAL CB . 26646 1 346 . 1 1 77 77 VAL N N 15 117.472 0.1 . 1 . . . . 77 VAL N . 26646 1 347 . 1 1 78 78 ASN H H 1 7.543 0.01 . 1 . . . . 78 ASN HN . 26646 1 348 . 1 1 78 78 ASN C C 13 177.093 0.1 . 1 . . . . 78 ASN C . 26646 1 349 . 1 1 78 78 ASN CA C 13 57.686 0.1 . 1 . . . . 78 ASN CA . 26646 1 350 . 1 1 78 78 ASN CB C 13 37.458 0.1 . 1 . . . . 78 ASN CB . 26646 1 351 . 1 1 78 78 ASN N N 15 118.595 0.1 . 1 . . . . 78 ASN N . 26646 1 352 . 1 1 79 79 LEU H H 1 8.502 0.01 . 1 . . . . 79 LEU HN . 26646 1 353 . 1 1 79 79 LEU C C 13 180.039 0.1 . 1 . . . . 79 LEU C . 26646 1 354 . 1 1 79 79 LEU CA C 13 58.341 0.1 . 1 . . . . 79 LEU CA . 26646 1 355 . 1 1 79 79 LEU CB C 13 41.371 0.1 . 1 . . . . 79 LEU CB . 26646 1 356 . 1 1 79 79 LEU N N 15 121.871 0.1 . 1 . . . . 79 LEU N . 26646 1 357 . 1 1 80 80 ARG H H 1 6.586 0.01 . 1 . . . . 80 ARG HN . 26646 1 358 . 1 1 80 80 ARG C C 13 179.668 0.1 . 1 . . . . 80 ARG C . 26646 1 359 . 1 1 80 80 ARG CA C 13 58.991 0.1 . 1 . . . . 80 ARG CA . 26646 1 360 . 1 1 80 80 ARG CB C 13 28.222 0.1 . 1 . . . . 80 ARG CB . 26646 1 361 . 1 1 80 80 ARG N N 15 118.463 0.1 . 1 . . . . 80 ARG N . 26646 1 362 . 1 1 81 81 THR H H 1 7.752 0.01 . 1 . . . . 81 THR HN . 26646 1 363 . 1 1 81 81 THR C C 13 176.556 0.1 . 1 . . . . 81 THR C . 26646 1 364 . 1 1 81 81 THR CA C 13 65.455 0.1 . 1 . . . . 81 THR CA . 26646 1 365 . 1 1 81 81 THR CB C 13 67.494 0.1 . 1 . . . . 81 THR CB . 26646 1 366 . 1 1 81 81 THR N N 15 119.283 0.1 . 1 . . . . 81 THR N . 26646 1 367 . 1 1 82 82 LEU H H 1 7.337 0.01 . 1 . . . . 82 LEU HN . 26646 1 368 . 1 1 82 82 LEU C C 13 177.618 0.1 . 1 . . . . 82 LEU C . 26646 1 369 . 1 1 82 82 LEU CA C 13 57.842 0.1 . 1 . . . . 82 LEU CA . 26646 1 370 . 1 1 82 82 LEU CB C 13 39.716 0.1 . 1 . . . . 82 LEU CB . 26646 1 371 . 1 1 82 82 LEU N N 15 121.116 0.1 . 1 . . . . 82 LEU N . 26646 1 372 . 1 1 83 83 LEU H H 1 6.994 0.01 . 1 . . . . 83 LEU HN . 26646 1 373 . 1 1 83 83 LEU C C 13 180.328 0.1 . 1 . . . . 83 LEU C . 26646 1 374 . 1 1 83 83 LEU CA C 13 57.712 0.1 . 1 . . . . 83 LEU CA . 26646 1 375 . 1 1 83 83 LEU CB C 13 40.441 0.1 . 1 . . . . 83 LEU CB . 26646 1 376 . 1 1 83 83 LEU N N 15 117.925 0.1 . 1 . . . . 83 LEU N . 26646 1 377 . 1 1 84 84 GLY H H 1 7.020 0.01 . 1 . . . . 84 GLY HN . 26646 1 378 . 1 1 84 84 GLY C C 13 177.516 0.1 . 1 . . . . 84 GLY C . 26646 1 379 . 1 1 84 84 GLY CA C 13 46.286 0.1 . 1 . . . . 84 GLY CA . 26646 1 380 . 1 1 84 84 GLY N N 15 103.008 0.1 . 1 . . . . 84 GLY N . 26646 1 381 . 1 1 85 85 TYR H H 1 7.920 0.01 . 1 . . . . 85 TYR HN . 26646 1 382 . 1 1 85 85 TYR C C 13 178.378 0.1 . 1 . . . . 85 TYR C . 26646 1 383 . 1 1 85 85 TYR CA C 13 56.836 0.1 . 1 . . . . 85 TYR CA . 26646 1 384 . 1 1 85 85 TYR CB C 13 35.748 0.1 . 1 . . . . 85 TYR CB . 26646 1 385 . 1 1 85 85 TYR N N 15 122.650 0.1 . 1 . . . . 85 TYR N . 26646 1 386 . 1 1 86 86 TYR H H 1 7.879 0.01 . 1 . . . . 86 TYR HN . 26646 1 387 . 1 1 86 86 TYR C C 13 174.632 0.1 . 1 . . . . 86 TYR C . 26646 1 388 . 1 1 86 86 TYR CA C 13 58.964 0.1 . 1 . . . . 86 TYR CA . 26646 1 389 . 1 1 86 86 TYR CB C 13 36.885 0.1 . 1 . . . . 86 TYR CB . 26646 1 390 . 1 1 86 86 TYR N N 15 114.310 0.1 . 1 . . . . 86 TYR N . 26646 1 391 . 1 1 87 87 ASN H H 1 7.786 0.01 . 1 . . . . 87 ASN HN . 26646 1 392 . 1 1 87 87 ASN C C 13 174.685 0.1 . 1 . . . . 87 ASN C . 26646 1 393 . 1 1 87 87 ASN CA C 13 54.131 0.1 . 1 . . . . 87 ASN CA . 26646 1 394 . 1 1 87 87 ASN CB C 13 36.650 0.1 . 1 . . . . 87 ASN CB . 26646 1 395 . 1 1 87 87 ASN N N 15 120.095 0.1 . 1 . . . . 87 ASN N . 26646 1 396 . 1 1 88 88 GLN H H 1 8.787 0.01 . 1 . . . . 88 GLN HN . 26646 1 397 . 1 1 88 88 GLN C C 13 175.987 0.1 . 1 . . . . 88 GLN C . 26646 1 398 . 1 1 88 88 GLN CA C 13 54.062 0.1 . 1 . . . . 88 GLN CA . 26646 1 399 . 1 1 88 88 GLN CB C 13 29.974 0.1 . 1 . . . . 88 GLN CB . 26646 1 400 . 1 1 88 88 GLN N N 15 118.238 0.1 . 1 . . . . 88 GLN N . 26646 1 401 . 1 1 89 89 SER H H 1 8.329 0.01 . 1 . . . . 89 SER HN . 26646 1 402 . 1 1 89 89 SER C C 13 175.129 0.1 . 1 . . . . 89 SER C . 26646 1 403 . 1 1 89 89 SER CA C 13 57.502 0.1 . 1 . . . . 89 SER CA . 26646 1 404 . 1 1 89 89 SER CB C 13 63.683 0.1 . 1 . . . . 89 SER CB . 26646 1 405 . 1 1 89 89 SER N N 15 115.678 0.1 . 1 . . . . 89 SER N . 26646 1 406 . 1 1 90 90 ALA H H 1 8.668 0.01 . 1 . . . . 90 ALA HN . 26646 1 407 . 1 1 90 90 ALA C C 13 178.347 0.1 . 1 . . . . 90 ALA C . 26646 1 408 . 1 1 90 90 ALA CA C 13 52.771 0.1 . 1 . . . . 90 ALA CA . 26646 1 409 . 1 1 90 90 ALA CB C 13 18.035 0.1 . 1 . . . . 90 ALA CB . 26646 1 410 . 1 1 90 90 ALA N N 15 126.209 0.1 . 1 . . . . 90 ALA N . 26646 1 411 . 1 1 91 91 GLY H H 1 8.499 0.01 . 1 . . . . 91 GLY HN . 26646 1 412 . 1 1 91 91 GLY C C 13 174.825 0.1 . 1 . . . . 91 GLY C . 26646 1 413 . 1 1 91 91 GLY CA C 13 45.437 0.1 . 1 . . . . 91 GLY CA . 26646 1 414 . 1 1 91 91 GLY N N 15 108.678 0.1 . 1 . . . . 91 GLY N . 26646 1 415 . 1 1 92 92 GLY H H 1 8.226 0.01 . 1 . . . . 92 GLY HN . 26646 1 416 . 1 1 92 92 GLY C C 13 173.031 0.1 . 1 . . . . 92 GLY C . 26646 1 417 . 1 1 92 92 GLY CA C 13 43.388 0.1 . 1 . . . . 92 GLY CA . 26646 1 418 . 1 1 92 92 GLY N N 15 109.159 0.1 . 1 . . . . 92 GLY N . 26646 1 419 . 1 1 93 93 THR H H 1 7.982 0.01 . 1 . . . . 93 THR HN . 26646 1 420 . 1 1 93 93 THR C C 13 172.913 0.1 . 1 . . . . 93 THR C . 26646 1 421 . 1 1 93 93 THR CA C 13 60.338 0.1 . 1 . . . . 93 THR CA . 26646 1 422 . 1 1 93 93 THR CB C 13 69.356 0.1 . 1 . . . . 93 THR CB . 26646 1 423 . 1 1 93 93 THR N N 15 116.476 0.1 . 1 . . . . 93 THR N . 26646 1 424 . 1 1 94 94 HIS H H 1 8.092 0.01 . 1 . . . . 94 HIS HN . 26646 1 425 . 1 1 94 94 HIS C C 13 173.323 0.1 . 1 . . . . 94 HIS C . 26646 1 426 . 1 1 94 94 HIS CA C 13 54.066 0.1 . 1 . . . . 94 HIS CA . 26646 1 427 . 1 1 94 94 HIS CB C 13 32.841 0.1 . 1 . . . . 94 HIS CB . 26646 1 428 . 1 1 94 94 HIS N N 15 124.192 0.1 . 1 . . . . 94 HIS N . 26646 1 429 . 1 1 95 95 THR H H 1 8.805 0.01 . 1 . . . . 95 THR HN . 26646 1 430 . 1 1 95 95 THR C C 13 172.641 0.1 . 1 . . . . 95 THR C . 26646 1 431 . 1 1 95 95 THR CA C 13 60.833 0.1 . 1 . . . . 95 THR CA . 26646 1 432 . 1 1 95 95 THR CB C 13 71.906 0.1 . 1 . . . . 95 THR CB . 26646 1 433 . 1 1 95 95 THR N N 15 115.808 0.1 . 1 . . . . 95 THR N . 26646 1 434 . 1 1 96 96 LEU H H 1 9.539 0.01 . 1 . . . . 96 LEU HN . 26646 1 435 . 1 1 96 96 LEU C C 13 173.816 0.1 . 1 . . . . 96 LEU C . 26646 1 436 . 1 1 96 96 LEU CA C 13 53.290 0.1 . 1 . . . . 96 LEU CA . 26646 1 437 . 1 1 96 96 LEU CB C 13 45.841 0.1 . 1 . . . . 96 LEU CB . 26646 1 438 . 1 1 96 96 LEU N N 15 130.447 0.1 . 1 . . . . 96 LEU N . 26646 1 439 . 1 1 97 97 GLN H H 1 9.725 0.01 . 1 . . . . 97 GLN HN . 26646 1 440 . 1 1 97 97 GLN C C 13 174.177 0.1 . 1 . . . . 97 GLN C . 26646 1 441 . 1 1 97 97 GLN CA C 13 53.782 0.1 . 1 . . . . 97 GLN CA . 26646 1 442 . 1 1 97 97 GLN CB C 13 33.441 0.1 . 1 . . . . 97 GLN CB . 26646 1 443 . 1 1 97 97 GLN N N 15 125.723 0.1 . 1 . . . . 97 GLN N . 26646 1 444 . 1 1 98 98 ARG H H 1 9.757 0.01 . 1 . . . . 98 ARG HN . 26646 1 445 . 1 1 98 98 ARG C C 13 174.256 0.1 . 1 . . . . 98 ARG C . 26646 1 446 . 1 1 98 98 ARG CA C 13 53.459 0.1 . 1 . . . . 98 ARG CA . 26646 1 447 . 1 1 98 98 ARG CB C 13 35.884 0.1 . 1 . . . . 98 ARG CB . 26646 1 448 . 1 1 98 98 ARG N N 15 127.357 0.1 . 1 . . . . 98 ARG N . 26646 1 449 . 1 1 99 99 MET H H 1 9.045 0.01 . 1 . . . . 99 MET HN . 26646 1 450 . 1 1 99 99 MET C C 13 173.670 0.1 . 1 . . . . 99 MET C . 26646 1 451 . 1 1 99 99 MET CA C 13 54.107 0.1 . 1 . . . . 99 MET CA . 26646 1 452 . 1 1 99 99 MET CB C 13 34.529 0.1 . 1 . . . . 99 MET CB . 26646 1 453 . 1 1 99 99 MET N N 15 129.747 0.1 . 1 . . . . 99 MET N . 26646 1 454 . 1 1 100 100 TYR H H 1 8.436 0.01 . 1 . . . . 100 TYR HN . 26646 1 455 . 1 1 100 100 TYR C C 13 173.599 0.1 . 1 . . . . 100 TYR C . 26646 1 456 . 1 1 100 100 TYR CA C 13 55.816 0.1 . 1 . . . . 100 TYR CA . 26646 1 457 . 1 1 100 100 TYR CB C 13 41.593 0.1 . 1 . . . . 100 TYR CB . 26646 1 458 . 1 1 100 100 TYR N N 15 121.849 0.1 . 1 . . . . 100 TYR N . 26646 1 459 . 1 1 101 101 GLY H H 1 8.243 0.01 . 1 . . . . 101 GLY HN . 26646 1 460 . 1 1 101 101 GLY C C 13 170.764 0.1 . 1 . . . . 101 GLY C . 26646 1 461 . 1 1 101 101 GLY CA C 13 44.171 0.1 . 1 . . . . 101 GLY CA . 26646 1 462 . 1 1 101 101 GLY N N 15 103.523 0.1 . 1 . . . . 101 GLY N . 26646 1 463 . 1 1 102 102 CYS H H 1 8.850 0.01 . 1 . . . . 102 CYS HN . 26646 1 464 . 1 1 102 102 CYS C C 13 171.947 0.1 . 1 . . . . 102 CYS C . 26646 1 465 . 1 1 102 102 CYS CA C 13 52.544 0.1 . 1 . . . . 102 CYS CA . 26646 1 466 . 1 1 102 102 CYS CB C 13 47.689 0.1 . 1 . . . . 102 CYS CB . 26646 1 467 . 1 1 102 102 CYS N N 15 111.595 0.1 . 1 . . . . 102 CYS N . 26646 1 468 . 1 1 103 103 ASP H H 1 9.027 0.01 . 1 . . . . 103 ASP HN . 26646 1 469 . 1 1 103 103 ASP C C 13 175.959 0.1 . 1 . . . . 103 ASP C . 26646 1 470 . 1 1 103 103 ASP CA C 13 52.483 0.1 . 1 . . . . 103 ASP CA . 26646 1 471 . 1 1 103 103 ASP CB C 13 41.279 0.1 . 1 . . . . 103 ASP CB . 26646 1 472 . 1 1 103 103 ASP N N 15 123.537 0.1 . 1 . . . . 103 ASP N . 26646 1 473 . 1 1 104 104 VAL H H 1 9.289 0.01 . 1 . . . . 104 VAL HN . 26646 1 474 . 1 1 104 104 VAL C C 13 175.584 0.1 . 1 . . . . 104 VAL C . 26646 1 475 . 1 1 104 104 VAL CA C 13 59.657 0.1 . 1 . . . . 104 VAL CA . 26646 1 476 . 1 1 104 104 VAL CB C 13 33.821 0.1 . 1 . . . . 104 VAL CB . 26646 1 477 . 1 1 104 104 VAL N N 15 120.947 0.1 . 1 . . . . 104 VAL N . 26646 1 478 . 1 1 105 105 GLY H H 1 8.472 0.01 . 1 . . . . 105 GLY HN . 26646 1 479 . 1 1 105 105 GLY C C 13 175.962 0.1 . 1 . . . . 105 GLY C . 26646 1 480 . 1 1 105 105 GLY CA C 13 43.694 0.1 . 1 . . . . 105 GLY CA . 26646 1 481 . 1 1 105 105 GLY N N 15 110.155 0.1 . 1 . . . . 105 GLY N . 26646 1 482 . 1 1 106 106 SER H H 1 8.878 0.01 . 1 . . . . 106 SER HN . 26646 1 483 . 1 1 106 106 SER C C 13 174.292 0.1 . 1 . . . . 106 SER C . 26646 1 484 . 1 1 106 106 SER CA C 13 60.694 0.1 . 1 . . . . 106 SER CA . 26646 1 485 . 1 1 106 106 SER CB C 13 62.302 0.1 . 1 . . . . 106 SER CB . 26646 1 486 . 1 1 106 106 SER N N 15 117.099 0.1 . 1 . . . . 106 SER N . 26646 1 487 . 1 1 107 107 ASP H H 1 7.965 0.01 . 1 . . . . 107 ASP HN . 26646 1 488 . 1 1 107 107 ASP C C 13 177.144 0.1 . 1 . . . . 107 ASP C . 26646 1 489 . 1 1 107 107 ASP CA C 13 52.561 0.1 . 1 . . . . 107 ASP CA . 26646 1 490 . 1 1 107 107 ASP CB C 13 39.501 0.1 . 1 . . . . 107 ASP CB . 26646 1 491 . 1 1 107 107 ASP N N 15 118.829 0.1 . 1 . . . . 107 ASP N . 26646 1 492 . 1 1 108 108 GLY H H 1 8.165 0.01 . 1 . . . . 108 GLY HN . 26646 1 493 . 1 1 108 108 GLY C C 13 173.678 0.1 . 1 . . . . 108 GLY C . 26646 1 494 . 1 1 108 108 GLY CA C 13 45.129 0.1 . 1 . . . . 108 GLY CA . 26646 1 495 . 1 1 108 108 GLY N N 15 108.440 0.1 . 1 . . . . 108 GLY N . 26646 1 496 . 1 1 109 109 ARG H H 1 7.650 0.01 . 1 . . . . 109 ARG HN . 26646 1 497 . 1 1 109 109 ARG CA C 13 54.477 0.1 . 1 . . . . 109 ARG CA . 26646 1 498 . 1 1 109 109 ARG CB C 13 30.326 0.1 . 1 . . . . 109 ARG CB . 26646 1 499 . 1 1 109 109 ARG N N 15 119.739 0.1 . 1 . . . . 109 ARG N . 26646 1 500 . 1 1 110 110 LEU C C 13 176.225 0.1 . 1 . . . . 110 LEU C . 26646 1 501 . 1 1 110 110 LEU CA C 13 56.550 0.1 . 1 . . . . 110 LEU CA . 26646 1 502 . 1 1 110 110 LEU CB C 13 41.210 0.1 . 1 . . . . 110 LEU CB . 26646 1 503 . 1 1 111 111 LEU H H 1 9.439 0.01 . 1 . . . . 111 LEU HN . 26646 1 504 . 1 1 111 111 LEU C C 13 177.006 0.1 . 1 . . . . 111 LEU C . 26646 1 505 . 1 1 111 111 LEU CA C 13 55.224 0.1 . 1 . . . . 111 LEU CA . 26646 1 506 . 1 1 111 111 LEU CB C 13 43.202 0.1 . 1 . . . . 111 LEU CB . 26646 1 507 . 1 1 111 111 LEU N N 15 130.290 0.1 . 1 . . . . 111 LEU N . 26646 1 508 . 1 1 112 112 ARG H H 1 7.360 0.01 . 1 . . . . 112 ARG HN . 26646 1 509 . 1 1 112 112 ARG C C 13 173.835 0.1 . 1 . . . . 112 ARG C . 26646 1 510 . 1 1 112 112 ARG CA C 13 55.140 0.1 . 1 . . . . 112 ARG CA . 26646 1 511 . 1 1 112 112 ARG CB C 13 33.165 0.1 . 1 . . . . 112 ARG CB . 26646 1 512 . 1 1 112 112 ARG N N 15 118.422 0.1 . 1 . . . . 112 ARG N . 26646 1 513 . 1 1 113 113 GLY H H 1 8.326 0.01 . 1 . . . . 113 GLY HN . 26646 1 514 . 1 1 113 113 GLY C C 13 169.650 0.1 . 1 . . . . 113 GLY C . 26646 1 515 . 1 1 113 113 GLY CA C 13 43.394 0.1 . 1 . . . . 113 GLY CA . 26646 1 516 . 1 1 113 113 GLY N N 15 111.788 0.1 . 1 . . . . 113 GLY N . 26646 1 517 . 1 1 114 114 TYR H H 1 8.622 0.01 . 1 . . . . 114 TYR HN . 26646 1 518 . 1 1 114 114 TYR C C 13 175.175 0.1 . 1 . . . . 114 TYR C . 26646 1 519 . 1 1 114 114 TYR CA C 13 56.479 0.1 . 1 . . . . 114 TYR CA . 26646 1 520 . 1 1 114 114 TYR CB C 13 41.977 0.1 . 1 . . . . 114 TYR CB . 26646 1 521 . 1 1 114 114 TYR N N 15 119.054 0.1 . 1 . . . . 114 TYR N . 26646 1 522 . 1 1 115 115 GLU H H 1 9.182 0.01 . 1 . . . . 115 GLU HN . 26646 1 523 . 1 1 115 115 GLU C C 13 173.617 0.1 . 1 . . . . 115 GLU C . 26646 1 524 . 1 1 115 115 GLU CA C 13 57.738 0.1 . 1 . . . . 115 GLU CA . 26646 1 525 . 1 1 115 115 GLU CB C 13 29.974 0.1 . 1 . . . . 115 GLU CB . 26646 1 526 . 1 1 115 115 GLU N N 15 123.541 0.1 . 1 . . . . 115 GLU N . 26646 1 527 . 1 1 116 116 GLN H H 1 9.015 0.01 . 1 . . . . 116 GLN HN . 26646 1 528 . 1 1 116 116 GLN C C 13 173.647 0.1 . 1 . . . . 116 GLN C . 26646 1 529 . 1 1 116 116 GLN CA C 13 56.966 0.1 . 1 . . . . 116 GLN CA . 26646 1 530 . 1 1 116 116 GLN CB C 13 32.465 0.1 . 1 . . . . 116 GLN CB . 26646 1 531 . 1 1 116 116 GLN N N 15 123.034 0.1 . 1 . . . . 116 GLN N . 26646 1 532 . 1 1 117 117 PHE H H 1 9.257 0.01 . 1 . . . . 117 PHE HN . 26646 1 533 . 1 1 117 117 PHE C C 13 175.980 0.1 . 1 . . . . 117 PHE C . 26646 1 534 . 1 1 117 117 PHE CA C 13 56.769 0.1 . 1 . . . . 117 PHE CA . 26646 1 535 . 1 1 117 117 PHE CB C 13 45.108 0.1 . 1 . . . . 117 PHE CB . 26646 1 536 . 1 1 117 117 PHE N N 15 117.515 0.1 . 1 . . . . 117 PHE N . 26646 1 537 . 1 1 118 118 ALA H H 1 9.553 0.01 . 1 . . . . 118 ALA HN . 26646 1 538 . 1 1 118 118 ALA C C 13 175.536 0.1 . 1 . . . . 118 ALA C . 26646 1 539 . 1 1 118 118 ALA CA C 13 51.617 0.1 . 1 . . . . 118 ALA CA . 26646 1 540 . 1 1 118 118 ALA CB C 13 21.789 0.1 . 1 . . . . 118 ALA CB . 26646 1 541 . 1 1 118 118 ALA N N 15 125.699 0.1 . 1 . . . . 118 ALA N . 26646 1 542 . 1 1 119 119 TYR H H 1 9.530 0.01 . 1 . . . . 119 TYR HN . 26646 1 543 . 1 1 119 119 TYR C C 13 175.086 0.1 . 1 . . . . 119 TYR C . 26646 1 544 . 1 1 119 119 TYR CA C 13 54.687 0.1 . 1 . . . . 119 TYR CA . 26646 1 545 . 1 1 119 119 TYR CB C 13 40.028 0.1 . 1 . . . . 119 TYR CB . 26646 1 546 . 1 1 119 119 TYR N N 15 125.718 0.1 . 1 . . . . 119 TYR N . 26646 1 547 . 1 1 120 120 ASP H H 1 9.828 0.01 . 1 . . . . 120 ASP HN . 26646 1 548 . 1 1 120 120 ASP C C 13 175.550 0.1 . 1 . . . . 120 ASP C . 26646 1 549 . 1 1 120 120 ASP CA C 13 55.042 0.1 . 1 . . . . 120 ASP CA . 26646 1 550 . 1 1 120 120 ASP CB C 13 37.835 0.1 . 1 . . . . 120 ASP CB . 26646 1 551 . 1 1 120 120 ASP N N 15 131.067 0.1 . 1 . . . . 120 ASP N . 26646 1 552 . 1 1 121 121 GLY H H 1 8.912 0.01 . 1 . . . . 121 GLY HN . 26646 1 553 . 1 1 121 121 GLY C C 13 174.313 0.1 . 1 . . . . 121 GLY C . 26646 1 554 . 1 1 121 121 GLY CA C 13 44.720 0.1 . 1 . . . . 121 GLY CA . 26646 1 555 . 1 1 121 121 GLY N N 15 102.704 0.1 . 1 . . . . 121 GLY N . 26646 1 556 . 1 1 122 122 CYS H H 1 7.932 0.01 . 1 . . . . 122 CYS HN . 26646 1 557 . 1 1 122 122 CYS C C 13 173.747 0.1 . 1 . . . . 122 CYS C . 26646 1 558 . 1 1 122 122 CYS CA C 13 52.858 0.1 . 1 . . . . 122 CYS CA . 26646 1 559 . 1 1 122 122 CYS CB C 13 41.808 0.1 . 1 . . . . 122 CYS CB . 26646 1 560 . 1 1 122 122 CYS N N 15 120.477 0.1 . 1 . . . . 122 CYS N . 26646 1 561 . 1 1 123 123 ASP H H 1 8.915 0.01 . 1 . . . . 123 ASP HN . 26646 1 562 . 1 1 123 123 ASP C C 13 174.412 0.1 . 1 . . . . 123 ASP C . 26646 1 563 . 1 1 123 123 ASP CA C 13 56.774 0.1 . 1 . . . . 123 ASP CA . 26646 1 564 . 1 1 123 123 ASP CB C 13 40.285 0.1 . 1 . . . . 123 ASP CB . 26646 1 565 . 1 1 123 123 ASP N N 15 125.073 0.1 . 1 . . . . 123 ASP N . 26646 1 566 . 1 1 124 124 TYR H H 1 8.674 0.01 . 1 . . . . 124 TYR HN . 26646 1 567 . 1 1 124 124 TYR C C 13 171.789 0.1 . 1 . . . . 124 TYR C . 26646 1 568 . 1 1 124 124 TYR CA C 13 59.891 0.1 . 1 . . . . 124 TYR CA . 26646 1 569 . 1 1 124 124 TYR CB C 13 40.274 0.1 . 1 . . . . 124 TYR CB . 26646 1 570 . 1 1 124 124 TYR N N 15 123.248 0.1 . 1 . . . . 124 TYR N . 26646 1 571 . 1 1 125 125 ILE H H 1 7.320 0.01 . 1 . . . . 125 ILE HN . 26646 1 572 . 1 1 125 125 ILE C C 13 172.478 0.1 . 1 . . . . 125 ILE C . 26646 1 573 . 1 1 125 125 ILE CA C 13 58.924 0.1 . 1 . . . . 125 ILE CA . 26646 1 574 . 1 1 125 125 ILE CB C 13 41.551 0.1 . 1 . . . . 125 ILE CB . 26646 1 575 . 1 1 125 125 ILE N N 15 115.249 0.1 . 1 . . . . 125 ILE N . 26646 1 576 . 1 1 126 126 ALA H H 1 8.466 0.01 . 1 . . . . 126 ALA HN . 26646 1 577 . 1 1 126 126 ALA C C 13 175.450 0.1 . 1 . . . . 126 ALA C . 26646 1 578 . 1 1 126 126 ALA CA C 13 51.296 0.1 . 1 . . . . 126 ALA CA . 26646 1 579 . 1 1 126 126 ALA CB C 13 22.943 0.1 . 1 . . . . 126 ALA CB . 26646 1 580 . 1 1 126 126 ALA N N 15 127.200 0.1 . 1 . . . . 126 ALA N . 26646 1 581 . 1 1 127 127 LEU H H 1 9.096 0.01 . 1 . . . . 127 LEU HN . 26646 1 582 . 1 1 127 127 LEU C C 13 177.105 0.1 . 1 . . . . 127 LEU C . 26646 1 583 . 1 1 127 127 LEU CA C 13 54.620 0.1 . 1 . . . . 127 LEU CA . 26646 1 584 . 1 1 127 127 LEU CB C 13 42.275 0.1 . 1 . . . . 127 LEU CB . 26646 1 585 . 1 1 127 127 LEU N N 15 127.268 0.1 . 1 . . . . 127 LEU N . 26646 1 586 . 1 1 128 128 ASN H H 1 8.842 0.01 . 1 . . . . 128 ASN HN . 26646 1 587 . 1 1 128 128 ASN C C 13 175.607 0.1 . 1 . . . . 128 ASN C . 26646 1 588 . 1 1 128 128 ASN CA C 13 52.643 0.1 . 1 . . . . 128 ASN CA . 26646 1 589 . 1 1 128 128 ASN CB C 13 37.599 0.1 . 1 . . . . 128 ASN CB . 26646 1 590 . 1 1 128 128 ASN N N 15 127.526 0.1 . 1 . . . . 128 ASN N . 26646 1 591 . 1 1 129 129 GLU H H 1 8.820 0.01 . 1 . . . . 129 GLU HN . 26646 1 592 . 1 1 129 129 GLU C C 13 176.143 0.1 . 1 . . . . 129 GLU C . 26646 1 593 . 1 1 129 129 GLU CA C 13 58.617 0.1 . 1 . . . . 129 GLU CA . 26646 1 594 . 1 1 129 129 GLU CB C 13 28.493 0.1 . 1 . . . . 129 GLU CB . 26646 1 595 . 1 1 129 129 GLU N N 15 119.175 0.1 . 1 . . . . 129 GLU N . 26646 1 596 . 1 1 130 130 ASP H H 1 7.340 0.01 . 1 . . . . 130 ASP HN . 26646 1 597 . 1 1 130 130 ASP C C 13 175.536 0.1 . 1 . . . . 130 ASP C . 26646 1 598 . 1 1 130 130 ASP CA C 13 54.129 0.1 . 1 . . . . 130 ASP CA . 26646 1 599 . 1 1 130 130 ASP CB C 13 39.254 0.1 . 1 . . . . 130 ASP CB . 26646 1 600 . 1 1 130 130 ASP N N 15 116.597 0.1 . 1 . . . . 130 ASP N . 26646 1 601 . 1 1 131 131 LEU H H 1 8.486 0.01 . 1 . . . . 131 LEU HN . 26646 1 602 . 1 1 131 131 LEU C C 13 174.911 0.1 . 1 . . . . 131 LEU C . 26646 1 603 . 1 1 131 131 LEU CA C 13 55.510 0.1 . 1 . . . . 131 LEU CA . 26646 1 604 . 1 1 131 131 LEU CB C 13 38.210 0.1 . 1 . . . . 131 LEU CB . 26646 1 605 . 1 1 131 131 LEU N N 15 116.045 0.1 . 1 . . . . 131 LEU N . 26646 1 606 . 1 1 132 132 ARG H H 1 8.488 0.01 . 1 . . . . 132 ARG HN . 26646 1 607 . 1 1 132 132 ARG C C 13 175.090 0.1 . 1 . . . . 132 ARG C . 26646 1 608 . 1 1 132 132 ARG CA C 13 56.231 0.1 . 1 . . . . 132 ARG CA . 26646 1 609 . 1 1 132 132 ARG CB C 13 34.308 0.1 . 1 . . . . 132 ARG CB . 26646 1 610 . 1 1 132 132 ARG N N 15 114.844 0.1 . 1 . . . . 132 ARG N . 26646 1 611 . 1 1 133 133 THR H H 1 8.461 0.01 . 1 . . . . 133 THR HN . 26646 1 612 . 1 1 133 133 THR C C 13 171.813 0.1 . 1 . . . . 133 THR C . 26646 1 613 . 1 1 133 133 THR CA C 13 59.274 0.1 . 1 . . . . 133 THR CA . 26646 1 614 . 1 1 133 133 THR CB C 13 72.866 0.1 . 1 . . . . 133 THR CB . 26646 1 615 . 1 1 133 133 THR N N 15 113.313 0.1 . 1 . . . . 133 THR N . 26646 1 616 . 1 1 134 134 TRP H H 1 8.736 0.01 . 1 . . . . 134 TRP HN . 26646 1 617 . 1 1 134 134 TRP C C 13 177.521 0.1 . 1 . . . . 134 TRP C . 26646 1 618 . 1 1 134 134 TRP CA C 13 55.168 0.1 . 1 . . . . 134 TRP CA . 26646 1 619 . 1 1 134 134 TRP CB C 13 32.125 0.1 . 1 . . . . 134 TRP CB . 26646 1 620 . 1 1 134 134 TRP N N 15 119.213 0.1 . 1 . . . . 134 TRP N . 26646 1 621 . 1 1 135 135 THR H H 1 9.728 0.01 . 1 . . . . 135 THR HN . 26646 1 622 . 1 1 135 135 THR C C 13 173.634 0.1 . 1 . . . . 135 THR C . 26646 1 623 . 1 1 135 135 THR CA C 13 62.822 0.1 . 1 . . . . 135 THR CA . 26646 1 624 . 1 1 135 135 THR CB C 13 69.794 0.1 . 1 . . . . 135 THR CB . 26646 1 625 . 1 1 135 135 THR N N 15 120.487 0.1 . 1 . . . . 135 THR N . 26646 1 626 . 1 1 136 136 ALA H H 1 8.832 0.01 . 1 . . . . 136 ALA HN . 26646 1 627 . 1 1 136 136 ALA C C 13 176.179 0.1 . 1 . . . . 136 ALA C . 26646 1 628 . 1 1 136 136 ALA CA C 13 49.699 0.1 . 1 . . . . 136 ALA CA . 26646 1 629 . 1 1 136 136 ALA CB C 13 19.923 0.1 . 1 . . . . 136 ALA CB . 26646 1 630 . 1 1 136 136 ALA N N 15 131.989 0.1 . 1 . . . . 136 ALA N . 26646 1 631 . 1 1 137 137 ALA H H 1 8.213 0.01 . 1 . . . . 137 ALA HN . 26646 1 632 . 1 1 137 137 ALA C C 13 176.868 0.1 . 1 . . . . 137 ALA C . 26646 1 633 . 1 1 137 137 ALA CA C 13 54.074 0.1 . 1 . . . . 137 ALA CA . 26646 1 634 . 1 1 137 137 ALA CB C 13 20.020 0.1 . 1 . . . . 137 ALA CB . 26646 1 635 . 1 1 137 137 ALA N N 15 125.468 0.1 . 1 . . . . 137 ALA N . 26646 1 636 . 1 1 138 138 ASP H H 1 7.338 0.01 . 1 . . . . 138 ASP HN . 26646 1 637 . 1 1 138 138 ASP C C 13 176.007 0.1 . 1 . . . . 138 ASP C . 26646 1 638 . 1 1 138 138 ASP CA C 13 52.342 0.1 . 1 . . . . 138 ASP CA . 26646 1 639 . 1 1 138 138 ASP CB C 13 41.249 0.1 . 1 . . . . 138 ASP CB . 26646 1 640 . 1 1 138 138 ASP N N 15 115.707 0.1 . 1 . . . . 138 ASP N . 26646 1 641 . 1 1 139 139 MET H H 1 8.129 0.01 . 1 . . . . 139 MET HN . 26646 1 642 . 1 1 139 139 MET C C 13 178.442 0.1 . 1 . . . . 139 MET C . 26646 1 643 . 1 1 139 139 MET CA C 13 58.071 0.1 . 1 . . . . 139 MET CA . 26646 1 644 . 1 1 139 139 MET CB C 13 31.255 0.1 . 1 . . . . 139 MET CB . 26646 1 645 . 1 1 139 139 MET N N 15 116.909 0.1 . 1 . . . . 139 MET N . 26646 1 646 . 1 1 140 140 ALA H H 1 7.838 0.01 . 1 . . . . 140 ALA HN . 26646 1 647 . 1 1 140 140 ALA C C 13 178.063 0.1 . 1 . . . . 140 ALA C . 26646 1 648 . 1 1 140 140 ALA CA C 13 54.272 0.1 . 1 . . . . 140 ALA CA . 26646 1 649 . 1 1 140 140 ALA CB C 13 16.847 0.1 . 1 . . . . 140 ALA CB . 26646 1 650 . 1 1 140 140 ALA N N 15 125.182 0.1 . 1 . . . . 140 ALA N . 26646 1 651 . 1 1 141 141 ALA H H 1 8.075 0.01 . 1 . . . . 141 ALA HN . 26646 1 652 . 1 1 141 141 ALA C C 13 179.783 0.1 . 1 . . . . 141 ALA C . 26646 1 653 . 1 1 141 141 ALA CA C 13 53.451 0.1 . 1 . . . . 141 ALA CA . 26646 1 654 . 1 1 141 141 ALA CB C 13 18.768 0.1 . 1 . . . . 141 ALA CB . 26646 1 655 . 1 1 141 141 ALA N N 15 118.331 0.1 . 1 . . . . 141 ALA N . 26646 1 656 . 1 1 142 142 GLN H H 1 7.561 0.01 . 1 . . . . 142 GLN HN . 26646 1 657 . 1 1 142 142 GLN C C 13 178.753 0.1 . 1 . . . . 142 GLN C . 26646 1 658 . 1 1 142 142 GLN CA C 13 58.025 0.1 . 1 . . . . 142 GLN CA . 26646 1 659 . 1 1 142 142 GLN CB C 13 26.616 0.1 . 1 . . . . 142 GLN CB . 26646 1 660 . 1 1 142 142 GLN N N 15 116.523 0.1 . 1 . . . . 142 GLN N . 26646 1 661 . 1 1 143 143 ILE H H 1 7.548 0.01 . 1 . . . . 143 ILE HN . 26646 1 662 . 1 1 143 143 ILE C C 13 179.413 0.1 . 1 . . . . 143 ILE C . 26646 1 663 . 1 1 143 143 ILE CA C 13 64.843 0.1 . 1 . . . . 143 ILE CA . 26646 1 664 . 1 1 143 143 ILE CB C 13 36.316 0.1 . 1 . . . . 143 ILE CB . 26646 1 665 . 1 1 143 143 ILE N N 15 122.881 0.1 . 1 . . . . 143 ILE N . 26646 1 666 . 1 1 144 144 THR H H 1 6.705 0.01 . 1 . . . . 144 THR HN . 26646 1 667 . 1 1 144 144 THR C C 13 174.429 0.1 . 1 . . . . 144 THR C . 26646 1 668 . 1 1 144 144 THR CA C 13 66.165 0.1 . 1 . . . . 144 THR CA . 26646 1 669 . 1 1 144 144 THR CB C 13 67.876 0.1 . 1 . . . . 144 THR CB . 26646 1 670 . 1 1 144 144 THR N N 15 117.470 0.1 . 1 . . . . 144 THR N . 26646 1 671 . 1 1 145 145 ARG H H 1 8.608 0.01 . 1 . . . . 145 ARG HN . 26646 1 672 . 1 1 145 145 ARG C C 13 176.911 0.1 . 1 . . . . 145 ARG C . 26646 1 673 . 1 1 145 145 ARG CA C 13 60.072 0.1 . 1 . . . . 145 ARG CA . 26646 1 674 . 1 1 145 145 ARG CB C 13 29.057 0.1 . 1 . . . . 145 ARG CB . 26646 1 675 . 1 1 145 145 ARG N N 15 120.419 0.1 . 1 . . . . 145 ARG N . 26646 1 676 . 1 1 146 146 ARG H H 1 7.720 0.01 . 1 . . . . 146 ARG HN . 26646 1 677 . 1 1 146 146 ARG C C 13 179.393 0.1 . 1 . . . . 146 ARG C . 26646 1 678 . 1 1 146 146 ARG CA C 13 59.293 0.1 . 1 . . . . 146 ARG CA . 26646 1 679 . 1 1 146 146 ARG CB C 13 28.972 0.1 . 1 . . . . 146 ARG CB . 26646 1 680 . 1 1 146 146 ARG N N 15 118.073 0.1 . 1 . . . . 146 ARG N . 26646 1 681 . 1 1 147 147 LYS H H 1 7.444 0.01 . 1 . . . . 147 LYS HN . 26646 1 682 . 1 1 147 147 LYS C C 13 180.013 0.1 . 1 . . . . 147 LYS C . 26646 1 683 . 1 1 147 147 LYS CA C 13 59.704 0.1 . 1 . . . . 147 LYS CA . 26646 1 684 . 1 1 147 147 LYS CB C 13 31.492 0.1 . 1 . . . . 147 LYS CB . 26646 1 685 . 1 1 147 147 LYS N N 15 119.180 0.1 . 1 . . . . 147 LYS N . 26646 1 686 . 1 1 148 148 TRP H H 1 9.258 0.01 . 1 . . . . 148 TRP HN . 26646 1 687 . 1 1 148 148 TRP C C 13 180.823 0.1 . 1 . . . . 148 TRP C . 26646 1 688 . 1 1 148 148 TRP CA C 13 59.984 0.1 . 1 . . . . 148 TRP CA . 26646 1 689 . 1 1 148 148 TRP CB C 13 26.818 0.1 . 1 . . . . 148 TRP CB . 26646 1 690 . 1 1 148 148 TRP N N 15 123.560 0.1 . 1 . . . . 148 TRP N . 26646 1 691 . 1 1 149 149 GLU H H 1 9.302 0.01 . 1 . . . . 149 GLU HN . 26646 1 692 . 1 1 149 149 GLU C C 13 179.819 0.1 . 1 . . . . 149 GLU C . 26646 1 693 . 1 1 149 149 GLU CA C 13 59.877 0.1 . 1 . . . . 149 GLU CA . 26646 1 694 . 1 1 149 149 GLU CB C 13 28.851 0.1 . 1 . . . . 149 GLU CB . 26646 1 695 . 1 1 149 149 GLU N N 15 125.613 0.1 . 1 . . . . 149 GLU N . 26646 1 696 . 1 1 150 150 GLN H H 1 8.014 0.01 . 1 . . . . 150 GLN HN . 26646 1 697 . 1 1 150 150 GLN C C 13 177.636 0.1 . 1 . . . . 150 GLN C . 26646 1 698 . 1 1 150 150 GLN CA C 13 58.468 0.1 . 1 . . . . 150 GLN CA . 26646 1 699 . 1 1 150 150 GLN CB C 13 27.600 0.1 . 1 . . . . 150 GLN CB . 26646 1 700 . 1 1 150 150 GLN N N 15 120.616 0.1 . 1 . . . . 150 GLN N . 26646 1 701 . 1 1 151 151 ALA H H 1 7.778 0.01 . 1 . . . . 151 ALA HN . 26646 1 702 . 1 1 151 151 ALA C C 13 177.791 0.1 . 1 . . . . 151 ALA C . 26646 1 703 . 1 1 151 151 ALA CA C 13 51.656 0.1 . 1 . . . . 151 ALA CA . 26646 1 704 . 1 1 151 151 ALA CB C 13 18.555 0.1 . 1 . . . . 151 ALA CB . 26646 1 705 . 1 1 151 151 ALA N N 15 117.570 0.1 . 1 . . . . 151 ALA N . 26646 1 706 . 1 1 152 152 GLY H H 1 7.701 0.01 . 1 . . . . 152 GLY HN . 26646 1 707 . 1 1 152 152 GLY C C 13 176.540 0.1 . 1 . . . . 152 GLY C . 26646 1 708 . 1 1 152 152 GLY CA C 13 46.453 0.1 . 1 . . . . 152 GLY CA . 26646 1 709 . 1 1 152 152 GLY N N 15 108.180 0.1 . 1 . . . . 152 GLY N . 26646 1 710 . 1 1 153 153 ALA H H 1 7.894 0.01 . 1 . . . . 153 ALA HN . 26646 1 711 . 1 1 153 153 ALA C C 13 178.479 0.1 . 1 . . . . 153 ALA C . 26646 1 712 . 1 1 153 153 ALA CA C 13 55.097 0.1 . 1 . . . . 153 ALA CA . 26646 1 713 . 1 1 153 153 ALA CB C 13 17.154 0.1 . 1 . . . . 153 ALA CB . 26646 1 714 . 1 1 153 153 ALA N N 15 120.580 0.1 . 1 . . . . 153 ALA N . 26646 1 715 . 1 1 154 154 ALA H H 1 9.457 0.01 . 1 . . . . 154 ALA HN . 26646 1 716 . 1 1 154 154 ALA C C 13 177.680 0.1 . 1 . . . . 154 ALA C . 26646 1 717 . 1 1 154 154 ALA CA C 13 56.103 0.1 . 1 . . . . 154 ALA CA . 26646 1 718 . 1 1 154 154 ALA CB C 13 16.947 0.1 . 1 . . . . 154 ALA CB . 26646 1 719 . 1 1 154 154 ALA N N 15 117.321 0.1 . 1 . . . . 154 ALA N . 26646 1 720 . 1 1 155 155 GLU H H 1 7.613 0.01 . 1 . . . . 155 GLU HN . 26646 1 721 . 1 1 155 155 GLU C C 13 178.935 0.1 . 1 . . . . 155 GLU C . 26646 1 722 . 1 1 155 155 GLU CA C 13 59.063 0.1 . 1 . . . . 155 GLU CA . 26646 1 723 . 1 1 155 155 GLU CB C 13 28.912 0.1 . 1 . . . . 155 GLU CB . 26646 1 724 . 1 1 155 155 GLU N N 15 115.230 0.1 . 1 . . . . 155 GLU N . 26646 1 725 . 1 1 156 156 TYR H H 1 7.248 0.01 . 1 . . . . 156 TYR HN . 26646 1 726 . 1 1 156 156 TYR C C 13 177.632 0.1 . 1 . . . . 156 TYR C . 26646 1 727 . 1 1 156 156 TYR CA C 13 60.328 0.1 . 1 . . . . 156 TYR CA . 26646 1 728 . 1 1 156 156 TYR CB C 13 37.397 0.1 . 1 . . . . 156 TYR CB . 26646 1 729 . 1 1 156 156 TYR N N 15 120.809 0.1 . 1 . . . . 156 TYR N . 26646 1 730 . 1 1 157 157 TYR H H 1 7.134 0.01 . 1 . . . . 157 TYR HN . 26646 1 731 . 1 1 157 157 TYR C C 13 177.301 0.1 . 1 . . . . 157 TYR C . 26646 1 732 . 1 1 157 157 TYR CA C 13 62.491 0.1 . 1 . . . . 157 TYR CA . 26646 1 733 . 1 1 157 157 TYR CB C 13 36.792 0.1 . 1 . . . . 157 TYR CB . 26646 1 734 . 1 1 157 157 TYR N N 15 119.646 0.1 . 1 . . . . 157 TYR N . 26646 1 735 . 1 1 158 158 ARG H H 1 9.302 0.01 . 1 . . . . 158 ARG HN . 26646 1 736 . 1 1 158 158 ARG C C 13 176.739 0.1 . 1 . . . . 158 ARG C . 26646 1 737 . 1 1 158 158 ARG CA C 13 60.485 0.1 . 1 . . . . 158 ARG CA . 26646 1 738 . 1 1 158 158 ARG CB C 13 28.753 0.1 . 1 . . . . 158 ARG CB . 26646 1 739 . 1 1 158 158 ARG N N 15 120.403 0.1 . 1 . . . . 158 ARG N . 26646 1 740 . 1 1 159 159 ALA H H 1 7.533 0.01 . 1 . . . . 159 ALA HN . 26646 1 741 . 1 1 159 159 ALA C C 13 181.550 0.1 . 1 . . . . 159 ALA C . 26646 1 742 . 1 1 159 159 ALA CA C 13 54.571 0.1 . 1 . . . . 159 ALA CA . 26646 1 743 . 1 1 159 159 ALA CB C 13 16.842 0.1 . 1 . . . . 159 ALA CB . 26646 1 744 . 1 1 159 159 ALA N N 15 118.402 0.1 . 1 . . . . 159 ALA N . 26646 1 745 . 1 1 160 160 TYR H H 1 6.923 0.01 . 1 . . . . 160 TYR HN . 26646 1 746 . 1 1 160 160 TYR C C 13 176.431 0.1 . 1 . . . . 160 TYR C . 26646 1 747 . 1 1 160 160 TYR CA C 13 60.708 0.1 . 1 . . . . 160 TYR CA . 26646 1 748 . 1 1 160 160 TYR CB C 13 37.139 0.1 . 1 . . . . 160 TYR CB . 26646 1 749 . 1 1 160 160 TYR N N 15 119.117 0.1 . 1 . . . . 160 TYR N . 26646 1 750 . 1 1 161 161 LEU H H 1 8.764 0.01 . 1 . . . . 161 LEU HN . 26646 1 751 . 1 1 161 161 LEU C C 13 176.149 0.1 . 1 . . . . 161 LEU C . 26646 1 752 . 1 1 161 161 LEU CA C 13 57.681 0.1 . 1 . . . . 161 LEU CA . 26646 1 753 . 1 1 161 161 LEU CB C 13 41.699 0.1 . 1 . . . . 161 LEU CB . 26646 1 754 . 1 1 161 161 LEU N N 15 122.013 0.1 . 1 . . . . 161 LEU N . 26646 1 755 . 1 1 162 162 GLU H H 1 8.232 0.01 . 1 . . . . 162 GLU HN . 26646 1 756 . 1 1 162 162 GLU C C 13 177.212 0.1 . 1 . . . . 162 GLU C . 26646 1 757 . 1 1 162 162 GLU CA C 13 56.768 0.1 . 1 . . . . 162 GLU CA . 26646 1 758 . 1 1 162 162 GLU CB C 13 30.110 0.1 . 1 . . . . 162 GLU CB . 26646 1 759 . 1 1 162 162 GLU N N 15 109.458 0.1 . 1 . . . . 162 GLU N . 26646 1 760 . 1 1 163 163 GLY H H 1 7.228 0.01 . 1 . . . . 163 GLY HN . 26646 1 761 . 1 1 163 163 GLY C C 13 173.222 0.1 . 1 . . . . 163 GLY C . 26646 1 762 . 1 1 163 163 GLY CA C 13 45.499 0.1 . 1 . . . . 163 GLY CA . 26646 1 763 . 1 1 163 163 GLY N N 15 108.436 0.1 . 1 . . . . 163 GLY N . 26646 1 764 . 1 1 164 164 GLU H H 1 8.648 0.01 . 1 . . . . 164 GLU HN . 26646 1 765 . 1 1 164 164 GLU C C 13 176.982 0.1 . 1 . . . . 164 GLU C . 26646 1 766 . 1 1 164 164 GLU CA C 13 60.349 0.1 . 1 . . . . 164 GLU CA . 26646 1 767 . 1 1 164 164 GLU CB C 13 30.343 0.1 . 1 . . . . 164 GLU CB . 26646 1 768 . 1 1 164 164 GLU N N 15 129.737 0.1 . 1 . . . . 164 GLU N . 26646 1 769 . 1 1 165 165 CYS H H 1 8.826 0.01 . 1 . . . . 165 CYS HN . 26646 1 770 . 1 1 165 165 CYS C C 13 175.172 0.1 . 1 . . . . 165 CYS C . 26646 1 771 . 1 1 165 165 CYS CA C 13 61.334 0.1 . 1 . . . . 165 CYS CA . 26646 1 772 . 1 1 165 165 CYS CB C 13 41.120 0.1 . 1 . . . . 165 CYS CB . 26646 1 773 . 1 1 165 165 CYS N N 15 118.185 0.1 . 1 . . . . 165 CYS N . 26646 1 774 . 1 1 166 166 VAL H H 1 6.188 0.01 . 1 . . . . 166 VAL HN . 26646 1 775 . 1 1 166 166 VAL C C 13 178.014 0.1 . 1 . . . . 166 VAL C . 26646 1 776 . 1 1 166 166 VAL CA C 13 65.439 0.1 . 1 . . . . 166 VAL CA . 26646 1 777 . 1 1 166 166 VAL CB C 13 31.786 0.1 . 1 . . . . 166 VAL CB . 26646 1 778 . 1 1 166 166 VAL N N 15 116.198 0.1 . 1 . . . . 166 VAL N . 26646 1 779 . 1 1 167 167 GLU H H 1 8.044 0.01 . 1 . . . . 167 GLU HN . 26646 1 780 . 1 1 167 167 GLU C C 13 180.491 0.1 . 1 . . . . 167 GLU C . 26646 1 781 . 1 1 167 167 GLU CA C 13 58.831 0.1 . 1 . . . . 167 GLU CA . 26646 1 782 . 1 1 167 167 GLU CB C 13 29.011 0.1 . 1 . . . . 167 GLU CB . 26646 1 783 . 1 1 167 167 GLU N N 15 120.296 0.1 . 1 . . . . 167 GLU N . 26646 1 784 . 1 1 168 168 TRP H H 1 8.919 0.01 . 1 . . . . 168 TRP HN . 26646 1 785 . 1 1 168 168 TRP C C 13 176.282 0.1 . 1 . . . . 168 TRP C . 26646 1 786 . 1 1 168 168 TRP CA C 13 61.088 0.1 . 1 . . . . 168 TRP CA . 26646 1 787 . 1 1 168 168 TRP CB C 13 26.408 0.1 . 1 . . . . 168 TRP CB . 26646 1 788 . 1 1 168 168 TRP N N 15 120.236 0.1 . 1 . . . . 168 TRP N . 26646 1 789 . 1 1 169 169 LEU H H 1 7.883 0.01 . 1 . . . . 169 LEU HN . 26646 1 790 . 1 1 169 169 LEU C C 13 178.162 0.1 . 1 . . . . 169 LEU C . 26646 1 791 . 1 1 169 169 LEU CA C 13 58.841 0.1 . 1 . . . . 169 LEU CA . 26646 1 792 . 1 1 169 169 LEU CB C 13 39.661 0.1 . 1 . . . . 169 LEU CB . 26646 1 793 . 1 1 169 169 LEU N N 15 120.397 0.1 . 1 . . . . 169 LEU N . 26646 1 794 . 1 1 170 170 HIS H H 1 7.718 0.01 . 1 . . . . 170 HIS HN . 26646 1 795 . 1 1 170 170 HIS C C 13 177.715 0.1 . 1 . . . . 170 HIS C . 26646 1 796 . 1 1 170 170 HIS CA C 13 59.975 0.1 . 1 . . . . 170 HIS CA . 26646 1 797 . 1 1 170 170 HIS CB C 13 28.388 0.1 . 1 . . . . 170 HIS CB . 26646 1 798 . 1 1 170 170 HIS N N 15 115.018 0.1 . 1 . . . . 170 HIS N . 26646 1 799 . 1 1 171 171 ARG H H 1 7.344 0.01 . 1 . . . . 171 ARG HN . 26646 1 800 . 1 1 171 171 ARG C C 13 178.223 0.1 . 1 . . . . 171 ARG C . 26646 1 801 . 1 1 171 171 ARG CA C 13 58.930 0.1 . 1 . . . . 171 ARG CA . 26646 1 802 . 1 1 171 171 ARG CB C 13 28.442 0.1 . 1 . . . . 171 ARG CB . 26646 1 803 . 1 1 171 171 ARG N N 15 122.099 0.1 . 1 . . . . 171 ARG N . 26646 1 804 . 1 1 172 172 TYR H H 1 8.620 0.01 . 1 . . . . 172 TYR HN . 26646 1 805 . 1 1 172 172 TYR C C 13 179.371 0.1 . 1 . . . . 172 TYR C . 26646 1 806 . 1 1 172 172 TYR CA C 13 58.004 0.1 . 1 . . . . 172 TYR CA . 26646 1 807 . 1 1 172 172 TYR CB C 13 36.302 0.1 . 1 . . . . 172 TYR CB . 26646 1 808 . 1 1 172 172 TYR N N 15 120.544 0.1 . 1 . . . . 172 TYR N . 26646 1 809 . 1 1 173 173 LEU H H 1 8.375 0.01 . 1 . . . . 173 LEU HN . 26646 1 810 . 1 1 173 173 LEU C C 13 179.434 0.1 . 1 . . . . 173 LEU C . 26646 1 811 . 1 1 173 173 LEU CA C 13 56.779 0.1 . 1 . . . . 173 LEU CA . 26646 1 812 . 1 1 173 173 LEU CB C 13 40.174 0.1 . 1 . . . . 173 LEU CB . 26646 1 813 . 1 1 173 173 LEU N N 15 119.571 0.1 . 1 . . . . 173 LEU N . 26646 1 814 . 1 1 174 174 LYS H H 1 7.497 0.01 . 1 . . . . 174 LYS HN . 26646 1 815 . 1 1 174 174 LYS C C 13 179.905 0.1 . 1 . . . . 174 LYS C . 26646 1 816 . 1 1 174 174 LYS CA C 13 58.543 0.1 . 1 . . . . 174 LYS CA . 26646 1 817 . 1 1 174 174 LYS CB C 13 30.616 0.1 . 1 . . . . 174 LYS CB . 26646 1 818 . 1 1 174 174 LYS N N 15 120.562 0.1 . 1 . . . . 174 LYS N . 26646 1 819 . 1 1 175 175 ASN H H 1 8.319 0.01 . 1 . . . . 175 ASN HN . 26646 1 820 . 1 1 175 175 ASN C C 13 176.972 0.1 . 1 . . . . 175 ASN C . 26646 1 821 . 1 1 175 175 ASN CA C 13 54.686 0.1 . 1 . . . . 175 ASN CA . 26646 1 822 . 1 1 175 175 ASN CB C 13 37.056 0.1 . 1 . . . . 175 ASN CB . 26646 1 823 . 1 1 175 175 ASN N N 15 120.692 0.1 . 1 . . . . 175 ASN N . 26646 1 824 . 1 1 176 176 GLY H H 1 7.456 0.01 . 1 . . . . 176 GLY HN . 26646 1 825 . 1 1 176 176 GLY C C 13 173.877 0.1 . 1 . . . . 176 GLY C . 26646 1 826 . 1 1 176 176 GLY CA C 13 43.842 0.1 . 1 . . . . 176 GLY CA . 26646 1 827 . 1 1 176 176 GLY N N 15 106.611 0.1 . 1 . . . . 176 GLY N . 26646 1 828 . 1 1 177 177 ASN H H 1 7.548 0.01 . 1 . . . . 177 ASN HN . 26646 1 829 . 1 1 177 177 ASN C C 13 174.525 0.1 . 1 . . . . 177 ASN C . 26646 1 830 . 1 1 177 177 ASN CA C 13 53.374 0.1 . 1 . . . . 177 ASN CA . 26646 1 831 . 1 1 177 177 ASN CB C 13 37.767 0.1 . 1 . . . . 177 ASN CB . 26646 1 832 . 1 1 177 177 ASN N N 15 118.455 0.1 . 1 . . . . 177 ASN N . 26646 1 833 . 1 1 178 178 ALA H H 1 7.902 0.01 . 1 . . . . 178 ALA HN . 26646 1 834 . 1 1 178 178 ALA C C 13 177.729 0.1 . 1 . . . . 178 ALA C . 26646 1 835 . 1 1 178 178 ALA CA C 13 52.204 0.1 . 1 . . . . 178 ALA CA . 26646 1 836 . 1 1 178 178 ALA CB C 13 18.838 0.1 . 1 . . . . 178 ALA CB . 26646 1 837 . 1 1 178 178 ALA N N 15 122.282 0.1 . 1 . . . . 178 ALA N . 26646 1 838 . 1 1 179 179 THR H H 1 8.073 0.01 . 1 . . . . 179 THR HN . 26646 1 839 . 1 1 179 179 THR C C 13 173.741 0.1 . 1 . . . . 179 THR C . 26646 1 840 . 1 1 179 179 THR CA C 13 61.664 0.1 . 1 . . . . 179 THR CA . 26646 1 841 . 1 1 179 179 THR CB C 13 69.103 0.1 . 1 . . . . 179 THR CB . 26646 1 842 . 1 1 179 179 THR N N 15 115.116 0.1 . 1 . . . . 179 THR N . 26646 1 843 . 1 1 180 180 LEU H H 1 7.900 0.01 . 1 . . . . 180 LEU HN . 26646 1 844 . 1 1 180 180 LEU CA C 13 56.628 0.1 . 1 . . . . 180 LEU CA . 26646 1 845 . 1 1 180 180 LEU CB C 13 41.738 0.1 . 1 . . . . 180 LEU CB . 26646 1 846 . 1 1 180 180 LEU N N 15 131.909 0.1 . 1 . . . . 180 LEU N . 26646 1 stop_ save_