data_26607 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 26607 _Entry.Title ; Neisseria meningititis Fic ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-07-13 _Entry.Accession_date 2015-07-13 _Entry.Last_release_date 2016-01-06 _Entry.Original_release_date 2016-01-06 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.81 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Bjoern Burmann . M. . 26607 2 Sebastian Hiller . . . 26607 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 26607 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 524 26607 '15N chemical shifts' 172 26607 '1H chemical shifts' 172 26607 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 . . 2016-01-06 . original BMRB . 26607 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 26607 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Intrinsic regulation of FIC-domain AMP-transferases by oligomerization and automodification ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U. S. A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Frederic Stanger . V. . 26607 1 2 Bjoern Burmann . M. . 26607 1 3 Alexander Harms . . . 26607 1 4 Hugo Correia . . . 26607 1 5 Adam Mazur . . . 26607 1 6 Timothy Sharpe . . . 26607 1 7 Christoph Dehio . . . 26607 1 8 Sebastian Hiller . . . 26607 1 9 Tilman Schirmer . . . 26607 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 26607 _Assembly.ID 1 _Assembly.Name NmFic _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 22100 _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 NmFic 1 $NmFic A . yes native no no . . . 26607 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NmFic _Entity.Sf_category entity _Entity.Sf_framecode NmFic _Entity.Entry_ID 26607 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NmFic _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 ; MHHHHHHMKSIDEQSLHNAR RLFESGDIDRIEVGTTAGLQ QIHRYLFGGLYDFAGQIRED NISKGGFRFANAMYLKEALV KIEQMPERTFEEIIAKYVRM NIAAPFLEGNGRSTRIWLDL VLKKNLKKVVNWQNVSKTLY LQAMERSPVNDLRLRFLLKD NLTDDVDNREIIFKGIEQSY YYEGYEKG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq 4-191 _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 188 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _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 4 MET . 26607 1 2 5 HIS . 26607 1 3 6 HIS . 26607 1 4 7 HIS . 26607 1 5 8 HIS . 26607 1 6 9 HIS . 26607 1 7 10 HIS . 26607 1 8 11 MET . 26607 1 9 12 LYS . 26607 1 10 13 SER . 26607 1 11 14 ILE . 26607 1 12 15 ASP . 26607 1 13 16 GLU . 26607 1 14 17 GLN . 26607 1 15 18 SER . 26607 1 16 19 LEU . 26607 1 17 20 HIS . 26607 1 18 21 ASN . 26607 1 19 22 ALA . 26607 1 20 23 ARG . 26607 1 21 24 ARG . 26607 1 22 25 LEU . 26607 1 23 26 PHE . 26607 1 24 27 GLU . 26607 1 25 28 SER . 26607 1 26 29 GLY . 26607 1 27 30 ASP . 26607 1 28 31 ILE . 26607 1 29 32 ASP . 26607 1 30 33 ARG . 26607 1 31 34 ILE . 26607 1 32 35 GLU . 26607 1 33 36 VAL . 26607 1 34 37 GLY . 26607 1 35 38 THR . 26607 1 36 39 THR . 26607 1 37 40 ALA . 26607 1 38 41 GLY . 26607 1 39 42 LEU . 26607 1 40 43 GLN . 26607 1 41 44 GLN . 26607 1 42 45 ILE . 26607 1 43 46 HIS . 26607 1 44 47 ARG . 26607 1 45 48 TYR . 26607 1 46 49 LEU . 26607 1 47 50 PHE . 26607 1 48 51 GLY . 26607 1 49 52 GLY . 26607 1 50 53 LEU . 26607 1 51 54 TYR . 26607 1 52 55 ASP . 26607 1 53 56 PHE . 26607 1 54 57 ALA . 26607 1 55 58 GLY . 26607 1 56 59 GLN . 26607 1 57 60 ILE . 26607 1 58 61 ARG . 26607 1 59 62 GLU . 26607 1 60 63 ASP . 26607 1 61 64 ASN . 26607 1 62 65 ILE . 26607 1 63 66 SER . 26607 1 64 67 LYS . 26607 1 65 68 GLY . 26607 1 66 69 GLY . 26607 1 67 70 PHE . 26607 1 68 71 ARG . 26607 1 69 72 PHE . 26607 1 70 73 ALA . 26607 1 71 74 ASN . 26607 1 72 75 ALA . 26607 1 73 76 MET . 26607 1 74 77 TYR . 26607 1 75 78 LEU . 26607 1 76 79 LYS . 26607 1 77 80 GLU . 26607 1 78 81 ALA . 26607 1 79 82 LEU . 26607 1 80 83 VAL . 26607 1 81 84 LYS . 26607 1 82 85 ILE . 26607 1 83 86 GLU . 26607 1 84 87 GLN . 26607 1 85 88 MET . 26607 1 86 89 PRO . 26607 1 87 90 GLU . 26607 1 88 91 ARG . 26607 1 89 92 THR . 26607 1 90 93 PHE . 26607 1 91 94 GLU . 26607 1 92 95 GLU . 26607 1 93 96 ILE . 26607 1 94 97 ILE . 26607 1 95 98 ALA . 26607 1 96 99 LYS . 26607 1 97 100 TYR . 26607 1 98 101 VAL . 26607 1 99 102 ARG . 26607 1 100 103 MET . 26607 1 101 104 ASN . 26607 1 102 105 ILE . 26607 1 103 106 ALA . 26607 1 104 107 ALA . 26607 1 105 108 PRO . 26607 1 106 109 PHE . 26607 1 107 110 LEU . 26607 1 108 111 GLU . 26607 1 109 112 GLY . 26607 1 110 113 ASN . 26607 1 111 114 GLY . 26607 1 112 115 ARG . 26607 1 113 116 SER . 26607 1 114 117 THR . 26607 1 115 118 ARG . 26607 1 116 119 ILE . 26607 1 117 120 TRP . 26607 1 118 121 LEU . 26607 1 119 122 ASP . 26607 1 120 123 LEU . 26607 1 121 124 VAL . 26607 1 122 125 LEU . 26607 1 123 126 LYS . 26607 1 124 127 LYS . 26607 1 125 128 ASN . 26607 1 126 129 LEU . 26607 1 127 130 LYS . 26607 1 128 131 LYS . 26607 1 129 132 VAL . 26607 1 130 133 VAL . 26607 1 131 134 ASN . 26607 1 132 135 TRP . 26607 1 133 136 GLN . 26607 1 134 137 ASN . 26607 1 135 138 VAL . 26607 1 136 139 SER . 26607 1 137 140 LYS . 26607 1 138 141 THR . 26607 1 139 142 LEU . 26607 1 140 143 TYR . 26607 1 141 144 LEU . 26607 1 142 145 GLN . 26607 1 143 146 ALA . 26607 1 144 147 MET . 26607 1 145 148 GLU . 26607 1 146 149 ARG . 26607 1 147 150 SER . 26607 1 148 151 PRO . 26607 1 149 152 VAL . 26607 1 150 153 ASN . 26607 1 151 154 ASP . 26607 1 152 155 LEU . 26607 1 153 156 ARG . 26607 1 154 157 LEU . 26607 1 155 158 ARG . 26607 1 156 159 PHE . 26607 1 157 160 LEU . 26607 1 158 161 LEU . 26607 1 159 162 LYS . 26607 1 160 163 ASP . 26607 1 161 164 ASN . 26607 1 162 165 LEU . 26607 1 163 166 THR . 26607 1 164 167 ASP . 26607 1 165 168 ASP . 26607 1 166 169 VAL . 26607 1 167 170 ASP . 26607 1 168 171 ASN . 26607 1 169 172 ARG . 26607 1 170 173 GLU . 26607 1 171 174 ILE . 26607 1 172 175 ILE . 26607 1 173 176 PHE . 26607 1 174 177 LYS . 26607 1 175 178 GLY . 26607 1 176 179 ILE . 26607 1 177 180 GLU . 26607 1 178 181 GLN . 26607 1 179 182 SER . 26607 1 180 183 TYR . 26607 1 181 184 TYR . 26607 1 182 185 TYR . 26607 1 183 186 GLU . 26607 1 184 187 GLY . 26607 1 185 188 TYR . 26607 1 186 189 GLU . 26607 1 187 190 LYS . 26607 1 188 191 GLY . 26607 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 26607 1 . HIS 2 2 26607 1 . HIS 3 3 26607 1 . HIS 4 4 26607 1 . HIS 5 5 26607 1 . HIS 6 6 26607 1 . HIS 7 7 26607 1 . MET 8 8 26607 1 . LYS 9 9 26607 1 . SER 10 10 26607 1 . ILE 11 11 26607 1 . ASP 12 12 26607 1 . GLU 13 13 26607 1 . GLN 14 14 26607 1 . SER 15 15 26607 1 . LEU 16 16 26607 1 . HIS 17 17 26607 1 . ASN 18 18 26607 1 . ALA 19 19 26607 1 . ARG 20 20 26607 1 . ARG 21 21 26607 1 . LEU 22 22 26607 1 . PHE 23 23 26607 1 . GLU 24 24 26607 1 . SER 25 25 26607 1 . GLY 26 26 26607 1 . ASP 27 27 26607 1 . ILE 28 28 26607 1 . ASP 29 29 26607 1 . ARG 30 30 26607 1 . ILE 31 31 26607 1 . GLU 32 32 26607 1 . VAL 33 33 26607 1 . GLY 34 34 26607 1 . THR 35 35 26607 1 . THR 36 36 26607 1 . ALA 37 37 26607 1 . GLY 38 38 26607 1 . LEU 39 39 26607 1 . GLN 40 40 26607 1 . GLN 41 41 26607 1 . ILE 42 42 26607 1 . HIS 43 43 26607 1 . ARG 44 44 26607 1 . TYR 45 45 26607 1 . LEU 46 46 26607 1 . PHE 47 47 26607 1 . GLY 48 48 26607 1 . GLY 49 49 26607 1 . LEU 50 50 26607 1 . TYR 51 51 26607 1 . ASP 52 52 26607 1 . PHE 53 53 26607 1 . ALA 54 54 26607 1 . GLY 55 55 26607 1 . GLN 56 56 26607 1 . ILE 57 57 26607 1 . ARG 58 58 26607 1 . GLU 59 59 26607 1 . ASP 60 60 26607 1 . ASN 61 61 26607 1 . ILE 62 62 26607 1 . SER 63 63 26607 1 . LYS 64 64 26607 1 . GLY 65 65 26607 1 . GLY 66 66 26607 1 . PHE 67 67 26607 1 . ARG 68 68 26607 1 . PHE 69 69 26607 1 . ALA 70 70 26607 1 . ASN 71 71 26607 1 . ALA 72 72 26607 1 . MET 73 73 26607 1 . TYR 74 74 26607 1 . LEU 75 75 26607 1 . LYS 76 76 26607 1 . GLU 77 77 26607 1 . ALA 78 78 26607 1 . LEU 79 79 26607 1 . VAL 80 80 26607 1 . LYS 81 81 26607 1 . ILE 82 82 26607 1 . GLU 83 83 26607 1 . GLN 84 84 26607 1 . MET 85 85 26607 1 . PRO 86 86 26607 1 . GLU 87 87 26607 1 . ARG 88 88 26607 1 . THR 89 89 26607 1 . PHE 90 90 26607 1 . GLU 91 91 26607 1 . GLU 92 92 26607 1 . ILE 93 93 26607 1 . ILE 94 94 26607 1 . ALA 95 95 26607 1 . LYS 96 96 26607 1 . TYR 97 97 26607 1 . VAL 98 98 26607 1 . ARG 99 99 26607 1 . MET 100 100 26607 1 . ASN 101 101 26607 1 . ILE 102 102 26607 1 . ALA 103 103 26607 1 . ALA 104 104 26607 1 . PRO 105 105 26607 1 . PHE 106 106 26607 1 . LEU 107 107 26607 1 . GLU 108 108 26607 1 . GLY 109 109 26607 1 . ASN 110 110 26607 1 . GLY 111 111 26607 1 . ARG 112 112 26607 1 . SER 113 113 26607 1 . THR 114 114 26607 1 . ARG 115 115 26607 1 . ILE 116 116 26607 1 . TRP 117 117 26607 1 . LEU 118 118 26607 1 . ASP 119 119 26607 1 . LEU 120 120 26607 1 . VAL 121 121 26607 1 . LEU 122 122 26607 1 . LYS 123 123 26607 1 . LYS 124 124 26607 1 . ASN 125 125 26607 1 . LEU 126 126 26607 1 . LYS 127 127 26607 1 . LYS 128 128 26607 1 . VAL 129 129 26607 1 . VAL 130 130 26607 1 . ASN 131 131 26607 1 . TRP 132 132 26607 1 . GLN 133 133 26607 1 . ASN 134 134 26607 1 . VAL 135 135 26607 1 . SER 136 136 26607 1 . LYS 137 137 26607 1 . THR 138 138 26607 1 . LEU 139 139 26607 1 . TYR 140 140 26607 1 . LEU 141 141 26607 1 . GLN 142 142 26607 1 . ALA 143 143 26607 1 . MET 144 144 26607 1 . GLU 145 145 26607 1 . ARG 146 146 26607 1 . SER 147 147 26607 1 . PRO 148 148 26607 1 . VAL 149 149 26607 1 . ASN 150 150 26607 1 . ASP 151 151 26607 1 . LEU 152 152 26607 1 . ARG 153 153 26607 1 . LEU 154 154 26607 1 . ARG 155 155 26607 1 . PHE 156 156 26607 1 . LEU 157 157 26607 1 . LEU 158 158 26607 1 . LYS 159 159 26607 1 . ASP 160 160 26607 1 . ASN 161 161 26607 1 . LEU 162 162 26607 1 . THR 163 163 26607 1 . ASP 164 164 26607 1 . ASP 165 165 26607 1 . VAL 166 166 26607 1 . ASP 167 167 26607 1 . ASN 168 168 26607 1 . ARG 169 169 26607 1 . GLU 170 170 26607 1 . ILE 171 171 26607 1 . ILE 172 172 26607 1 . PHE 173 173 26607 1 . LYS 174 174 26607 1 . GLY 175 175 26607 1 . ILE 176 176 26607 1 . GLU 177 177 26607 1 . GLN 178 178 26607 1 . SER 179 179 26607 1 . TYR 180 180 26607 1 . TYR 181 181 26607 1 . TYR 182 182 26607 1 . GLU 183 183 26607 1 . GLY 184 184 26607 1 . TYR 185 185 26607 1 . GLU 186 186 26607 1 . LYS 187 187 26607 1 . GLY 188 188 26607 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 26607 _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 $NmFic . 487 organism . 'Neisseria meningitidis' b-proteobacteria . . Bacteria . Neisseria meningitidis . . . . . . . . . . . . . 26607 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 26607 _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 $NmFic . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pRSF-DUET1 . . . 26607 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 26607 _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 NmFic '[U-100% 13C; U-100% 15N]' . . 1 $NmFic . . 500 . . uM . . . . 26607 1 2 D2O 'natural abundance' . . . . . . 10 . . % . . . . 26607 1 3 MES 'natural abundance' . . . . . . 25 . . mM . . . . 26607 1 4 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 26607 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 26607 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 26607 _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' 150 . mM 26607 1 pH 6.5 . pH 26607 1 pressure 1 . atm 26607 1 temperature 298.15 . K 26607 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 26607 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 26607 1 Guntert . . 26607 1 'Keller and Wuthrich' . . 26607 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 26607 1 collection 26607 1 processing 26607 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 26607 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 26607 _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 . 700 . . . 26607 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 26607 _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 . . . . . . . . . . . . . . . . 26607 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26607 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26607 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26607 1 5 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 26607 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 26607 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 26607 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 26607 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 26607 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 26607 _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' . . . 26607 1 2 '3D HNCA' . . . 26607 1 3 '3D HNCACB' . . . 26607 1 4 '3D HNCO' . . . 26607 1 5 '3D HN(CA)CO' . . . 26607 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 $TOPSPIN . . 26607 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 7 7 HIS C C 13 175.9 0.3 . 1 . . . . 10 HIS C . 26607 1 2 . 1 1 7 7 HIS CA C 13 56.0 0.3 . 1 . . . . 10 HIS CA . 26607 1 3 . 1 1 7 7 HIS CB C 13 29.7 0.3 . 1 . . . . 10 HIS CB . 26607 1 4 . 1 1 8 8 MET H H 1 8.28 0.02 . 1 . . . . 11 MET H . 26607 1 5 . 1 1 8 8 MET C C 13 176.8 0.3 . 1 . . . . 11 MET C . 26607 1 6 . 1 1 8 8 MET CA C 13 55.9 0.3 . 1 . . . . 11 MET CA . 26607 1 7 . 1 1 8 8 MET CB C 13 33.4 0.3 . 1 . . . . 11 MET CB . 26607 1 8 . 1 1 8 8 MET N N 15 122.6 0.3 . 1 . . . . 11 MET N . 26607 1 9 . 1 1 9 9 LYS H H 1 8.48 0.02 . 1 . . . . 12 LYS H . 26607 1 10 . 1 1 9 9 LYS C C 13 176.2 0.3 . 1 . . . . 12 LYS C . 26607 1 11 . 1 1 9 9 LYS CA C 13 57.6 0.3 . 1 . . . . 12 LYS CA . 26607 1 12 . 1 1 9 9 LYS CB C 13 33.3 0.3 . 1 . . . . 12 LYS CB . 26607 1 13 . 1 1 9 9 LYS N N 15 123.1 0.3 . 1 . . . . 12 LYS N . 26607 1 14 . 1 1 10 10 SER H H 1 8.41 0.02 . 1 . . . . 13 SER H . 26607 1 15 . 1 1 10 10 SER C C 13 176.5 0.3 . 1 . . . . 13 SER C . 26607 1 16 . 1 1 10 10 SER CA C 13 59.5 0.3 . 1 . . . . 13 SER CA . 26607 1 17 . 1 1 10 10 SER CB C 13 63.9 0.3 . 1 . . . . 13 SER CB . 26607 1 18 . 1 1 10 10 SER N N 15 117.3 0.3 . 1 . . . . 13 SER N . 26607 1 19 . 1 1 11 11 ILE H H 1 8.08 0.02 . 1 . . . . 14 ILE H . 26607 1 20 . 1 1 11 11 ILE CA C 13 64.6 0.3 . 1 . . . . 14 ILE CA . 26607 1 21 . 1 1 11 11 ILE CB C 13 38.1 0.3 . 1 . . . . 14 ILE CB . 26607 1 22 . 1 1 11 11 ILE N N 15 122.7 0.3 . 1 . . . . 14 ILE N . 26607 1 23 . 1 1 12 12 ASP H H 1 7.72 0.02 . 1 . . . . 15 ASP H . 26607 1 24 . 1 1 12 12 ASP CA C 13 57.5 0.3 . 1 . . . . 15 ASP CA . 26607 1 25 . 1 1 12 12 ASP CB C 13 38.4 0.3 . 1 . . . . 15 ASP CB . 26607 1 26 . 1 1 12 12 ASP N N 15 119.2 0.3 . 1 . . . . 15 ASP N . 26607 1 27 . 1 1 13 13 GLU C C 13 179.5 0.3 . 1 . . . . 16 GLU C . 26607 1 28 . 1 1 13 13 GLU CA C 13 60.9 0.3 . 1 . . . . 16 GLU CA . 26607 1 29 . 1 1 13 13 GLU CB C 13 29.5 0.3 . 1 . . . . 16 GLU CB . 26607 1 30 . 1 1 14 14 GLN H H 1 7.69 0.02 . 1 . . . . 17 GLN H . 26607 1 31 . 1 1 14 14 GLN C C 13 178.8 0.3 . 1 . . . . 17 GLN C . 26607 1 32 . 1 1 14 14 GLN CA C 13 59.3 0.3 . 1 . . . . 17 GLN CA . 26607 1 33 . 1 1 14 14 GLN CB C 13 29.5 0.3 . 1 . . . . 17 GLN CB . 26607 1 34 . 1 1 14 14 GLN N N 15 118.5 0.3 . 1 . . . . 17 GLN N . 26607 1 35 . 1 1 15 15 SER H H 1 8.48 0.02 . 1 . . . . 18 SER H . 26607 1 36 . 1 1 15 15 SER C C 13 175.6 0.3 . 1 . . . . 18 SER C . 26607 1 37 . 1 1 15 15 SER CA C 13 61.2 0.3 . 1 . . . . 18 SER CA . 26607 1 38 . 1 1 15 15 SER CB C 13 63.1 0.3 . 1 . . . . 18 SER CB . 26607 1 39 . 1 1 15 15 SER N N 15 115.4 0.3 . 1 . . . . 18 SER N . 26607 1 40 . 1 1 16 16 LEU H H 1 7.99 0.02 . 1 . . . . 19 LEU H . 26607 1 41 . 1 1 16 16 LEU C C 13 179.2 0.3 . 1 . . . . 19 LEU C . 26607 1 42 . 1 1 16 16 LEU CA C 13 58.5 0.3 . 1 . . . . 19 LEU CA . 26607 1 43 . 1 1 16 16 LEU CB C 13 41.0 0.3 . 1 . . . . 19 LEU CB . 26607 1 44 . 1 1 16 16 LEU N N 15 125.4 0.3 . 1 . . . . 19 LEU N . 26607 1 45 . 1 1 17 17 HIS H H 1 7.37 0.02 . 1 . . . . 20 HIS H . 26607 1 46 . 1 1 17 17 HIS C C 13 178.6 0.3 . 1 . . . . 20 HIS C . 26607 1 47 . 1 1 17 17 HIS CA C 13 59.7 0.3 . 1 . . . . 20 HIS CA . 26607 1 48 . 1 1 17 17 HIS CB C 13 28.6 0.3 . 1 . . . . 20 HIS CB . 26607 1 49 . 1 1 17 17 HIS N N 15 118.0 0.3 . 1 . . . . 20 HIS N . 26607 1 50 . 1 1 18 18 ASN H H 1 7.94 0.02 . 1 . . . . 21 ASN H . 26607 1 51 . 1 1 18 18 ASN C C 13 177.3 0.3 . 1 . . . . 21 ASN C . 26607 1 52 . 1 1 18 18 ASN CA C 13 56.2 0.3 . 1 . . . . 21 ASN CA . 26607 1 53 . 1 1 18 18 ASN CB C 13 38.3 0.3 . 1 . . . . 21 ASN CB . 26607 1 54 . 1 1 18 18 ASN N N 15 121.2 0.3 . 1 . . . . 21 ASN N . 26607 1 55 . 1 1 19 19 ALA H H 1 8.50 0.02 . 1 . . . . 22 ALA H . 26607 1 56 . 1 1 19 19 ALA C C 13 178.8 0.3 . 1 . . . . 22 ALA C . 26607 1 57 . 1 1 19 19 ALA CA C 13 55.6 0.3 . 1 . . . . 22 ALA CA . 26607 1 58 . 1 1 19 19 ALA CB C 13 18.1 0.3 . 1 . . . . 22 ALA CB . 26607 1 59 . 1 1 19 19 ALA N N 15 124.4 0.3 . 1 . . . . 22 ALA N . 26607 1 60 . 1 1 20 20 ARG H H 1 7.86 0.02 . 1 . . . . 23 ARG H . 26607 1 61 . 1 1 20 20 ARG C C 13 179.3 0.3 . 1 . . . . 23 ARG C . 26607 1 62 . 1 1 20 20 ARG CA C 13 60.4 0.3 . 1 . . . . 23 ARG CA . 26607 1 63 . 1 1 20 20 ARG CB C 13 30.3 0.3 . 1 . . . . 23 ARG CB . 26607 1 64 . 1 1 20 20 ARG N N 15 115.5 0.3 . 1 . . . . 23 ARG N . 26607 1 65 . 1 1 21 21 ARG H H 1 8.01 0.02 . 1 . . . . 24 ARG H . 26607 1 66 . 1 1 21 21 ARG C C 13 178.7 0.3 . 1 . . . . 24 ARG C . 26607 1 67 . 1 1 21 21 ARG CA C 13 59.4 0.3 . 1 . . . . 24 ARG CA . 26607 1 68 . 1 1 21 21 ARG CB C 13 30.0 0.3 . 1 . . . . 24 ARG CB . 26607 1 69 . 1 1 21 21 ARG N N 15 120.8 0.3 . 1 . . . . 24 ARG N . 26607 1 70 . 1 1 22 22 LEU H H 1 8.14 0.02 . 1 . . . . 25 LEU H . 26607 1 71 . 1 1 22 22 LEU C C 13 177.0 0.3 . 1 . . . . 25 LEU C . 26607 1 72 . 1 1 22 22 LEU CA C 13 58.4 0.3 . 1 . . . . 25 LEU CA . 26607 1 73 . 1 1 22 22 LEU CB C 13 40.9 0.3 . 1 . . . . 25 LEU CB . 26607 1 74 . 1 1 22 22 LEU N N 15 124.5 0.3 . 1 . . . . 25 LEU N . 26607 1 75 . 1 1 23 23 PHE H H 1 6.92 0.02 . 1 . . . . 26 PHE H . 26607 1 76 . 1 1 23 23 PHE C C 13 179.5 0.3 . 1 . . . . 26 PHE C . 26607 1 77 . 1 1 23 23 PHE CA C 13 61.4 0.3 . 1 . . . . 26 PHE CA . 26607 1 78 . 1 1 23 23 PHE CB C 13 40.7 0.3 . 1 . . . . 26 PHE CB . 26607 1 79 . 1 1 23 23 PHE N N 15 113.9 0.3 . 1 . . . . 26 PHE N . 26607 1 80 . 1 1 24 24 GLU H H 1 9.13 0.02 . 1 . . . . 27 GLU H . 26607 1 81 . 1 1 24 24 GLU C C 13 178.7 0.3 . 1 . . . . 27 GLU C . 26607 1 82 . 1 1 24 24 GLU CA C 13 60.2 0.3 . 1 . . . . 27 GLU CA . 26607 1 83 . 1 1 24 24 GLU CB C 13 30.8 0.3 . 1 . . . . 27 GLU CB . 26607 1 84 . 1 1 24 24 GLU N N 15 122.1 0.3 . 1 . . . . 27 GLU N . 26607 1 85 . 1 1 25 25 SER H H 1 8.62 0.02 . 1 . . . . 28 SER H . 26607 1 86 . 1 1 25 25 SER C C 13 176.4 0.3 . 1 . . . . 28 SER C . 26607 1 87 . 1 1 25 25 SER CA C 13 60.1 0.3 . 1 . . . . 28 SER CA . 26607 1 88 . 1 1 25 25 SER CB C 13 65.5 0.3 . 1 . . . . 28 SER CB . 26607 1 89 . 1 1 25 25 SER N N 15 110.9 0.3 . 1 . . . . 28 SER N . 26607 1 90 . 1 1 26 26 GLY H H 1 7.25 0.02 . 1 . . . . 29 GLY H . 26607 1 91 . 1 1 26 26 GLY C C 13 175.1 0.3 . 1 . . . . 29 GLY C . 26607 1 92 . 1 1 26 26 GLY CA C 13 45.5 0.3 . 1 . . . . 29 GLY CA . 26607 1 93 . 1 1 26 26 GLY N N 15 109.6 0.3 . 1 . . . . 29 GLY N . 26607 1 94 . 1 1 27 27 ASP H H 1 8.73 0.02 . 1 . . . . 30 ASP H . 26607 1 95 . 1 1 27 27 ASP C C 13 178.9 0.3 . 1 . . . . 30 ASP C . 26607 1 96 . 1 1 27 27 ASP CA C 13 57.7 0.3 . 1 . . . . 30 ASP CA . 26607 1 97 . 1 1 27 27 ASP CB C 13 39.4 0.3 . 1 . . . . 30 ASP CB . 26607 1 98 . 1 1 27 27 ASP N N 15 125.9 0.3 . 1 . . . . 30 ASP N . 26607 1 99 . 1 1 28 28 ILE H H 1 7.46 0.02 . 1 . . . . 31 ILE H . 26607 1 100 . 1 1 28 28 ILE C C 13 174.9 0.3 . 1 . . . . 31 ILE C . 26607 1 101 . 1 1 28 28 ILE CA C 13 59.9 0.3 . 1 . . . . 31 ILE CA . 26607 1 102 . 1 1 28 28 ILE CB C 13 38.3 0.3 . 1 . . . . 31 ILE CB . 26607 1 103 . 1 1 28 28 ILE N N 15 119.8 0.3 . 1 . . . . 31 ILE N . 26607 1 104 . 1 1 29 29 ASP H H 1 7.18 0.02 . 1 . . . . 32 ASP H . 26607 1 105 . 1 1 29 29 ASP C C 13 176.8 0.3 . 1 . . . . 32 ASP C . 26607 1 106 . 1 1 29 29 ASP CA C 13 56.4 0.3 . 1 . . . . 32 ASP CA . 26607 1 107 . 1 1 29 29 ASP CB C 13 40.7 0.3 . 1 . . . . 32 ASP CB . 26607 1 108 . 1 1 29 29 ASP N N 15 121.7 0.3 . 1 . . . . 32 ASP N . 26607 1 109 . 1 1 30 30 ARG H H 1 7.54 0.02 . 1 . . . . 33 ARG H . 26607 1 110 . 1 1 30 30 ARG C C 13 176.2 0.3 . 1 . . . . 33 ARG C . 26607 1 111 . 1 1 30 30 ARG CA C 13 55.6 0.3 . 1 . . . . 33 ARG CA . 26607 1 112 . 1 1 30 30 ARG CB C 13 30.6 0.3 . 1 . . . . 33 ARG CB . 26607 1 113 . 1 1 30 30 ARG N N 15 117.6 0.3 . 1 . . . . 33 ARG N . 26607 1 114 . 1 1 31 31 ILE H H 1 6.74 0.02 . 1 . . . . 34 ILE H . 26607 1 115 . 1 1 31 31 ILE C C 13 176.3 0.3 . 1 . . . . 34 ILE C . 26607 1 116 . 1 1 31 31 ILE CA C 13 59.6 0.3 . 1 . . . . 34 ILE CA . 26607 1 117 . 1 1 31 31 ILE CB C 13 37.5 0.3 . 1 . . . . 34 ILE CB . 26607 1 118 . 1 1 31 31 ILE N N 15 121.5 0.3 . 1 . . . . 34 ILE N . 26607 1 119 . 1 1 32 32 GLU H H 1 8.64 0.02 . 1 . . . . 35 GLU H . 26607 1 120 . 1 1 32 32 GLU C C 13 175.5 0.3 . 1 . . . . 35 GLU C . 26607 1 121 . 1 1 32 32 GLU CA C 13 57.7 0.3 . 1 . . . . 35 GLU CA . 26607 1 122 . 1 1 32 32 GLU CB C 13 31.1 0.3 . 1 . . . . 35 GLU CB . 26607 1 123 . 1 1 32 32 GLU N N 15 130.8 0.3 . 1 . . . . 35 GLU N . 26607 1 124 . 1 1 33 33 VAL H H 1 8.34 0.02 . 1 . . . . 36 VAL H . 26607 1 125 . 1 1 33 33 VAL C C 13 179.6 0.3 . 1 . . . . 36 VAL C . 26607 1 126 . 1 1 33 33 VAL CA C 13 63.6 0.3 . 1 . . . . 36 VAL CA . 26607 1 127 . 1 1 33 33 VAL CB C 13 32.7 0.3 . 1 . . . . 36 VAL CB . 26607 1 128 . 1 1 33 33 VAL N N 15 127.0 0.3 . 1 . . . . 36 VAL N . 26607 1 129 . 1 1 34 34 GLY H H 1 9.10 0.02 . 1 . . . . 37 GLY H . 26607 1 130 . 1 1 34 34 GLY C C 13 173.3 0.3 . 1 . . . . 37 GLY C . 26607 1 131 . 1 1 34 34 GLY CA C 13 46.7 0.3 . 1 . . . . 37 GLY CA . 26607 1 132 . 1 1 34 34 GLY N N 15 115.3 0.3 . 1 . . . . 37 GLY N . 26607 1 133 . 1 1 35 35 THR H H 1 6.97 0.02 . 1 . . . . 38 THR H . 26607 1 134 . 1 1 35 35 THR C C 13 177.1 0.3 . 1 . . . . 38 THR C . 26607 1 135 . 1 1 35 35 THR CA C 13 58.7 0.3 . 1 . . . . 38 THR CA . 26607 1 136 . 1 1 35 35 THR CB C 13 72.3 0.3 . 1 . . . . 38 THR CB . 26607 1 137 . 1 1 35 35 THR N N 15 104.2 0.3 . 1 . . . . 38 THR N . 26607 1 138 . 1 1 36 36 THR H H 1 9.75 0.02 . 1 . . . . 39 THR H . 26607 1 139 . 1 1 36 36 THR C C 13 176.8 0.3 . 1 . . . . 39 THR C . 26607 1 140 . 1 1 36 36 THR CA C 13 68.0 0.3 . 1 . . . . 39 THR CA . 26607 1 141 . 1 1 36 36 THR CB C 13 72.3 0.3 . 1 . . . . 39 THR CB . 26607 1 142 . 1 1 36 36 THR N N 15 124.7 0.3 . 1 . . . . 39 THR N . 26607 1 143 . 1 1 37 37 ALA H H 1 9.32 0.02 . 1 . . . . 40 ALA H . 26607 1 144 . 1 1 37 37 ALA C C 13 181.8 0.3 . 1 . . . . 40 ALA C . 26607 1 145 . 1 1 37 37 ALA CA C 13 55.3 0.3 . 1 . . . . 40 ALA CA . 26607 1 146 . 1 1 37 37 ALA CB C 13 17.7 0.3 . 1 . . . . 40 ALA CB . 26607 1 147 . 1 1 37 37 ALA N N 15 125.2 0.3 . 1 . . . . 40 ALA N . 26607 1 148 . 1 1 38 38 GLY H H 1 8.52 0.02 . 1 . . . . 41 GLY H . 26607 1 149 . 1 1 38 38 GLY C C 13 177.6 0.3 . 1 . . . . 41 GLY C . 26607 1 150 . 1 1 38 38 GLY CA C 13 47.2 0.3 . 1 . . . . 41 GLY CA . 26607 1 151 . 1 1 38 38 GLY N N 15 108.0 0.3 . 1 . . . . 41 GLY N . 26607 1 152 . 1 1 39 39 LEU H H 1 7.85 0.02 . 1 . . . . 42 LEU H . 26607 1 153 . 1 1 39 39 LEU C C 13 179.7 0.3 . 1 . . . . 42 LEU C . 26607 1 154 . 1 1 39 39 LEU CA C 13 58.4 0.3 . 1 . . . . 42 LEU CA . 26607 1 155 . 1 1 39 39 LEU CB C 13 40.6 0.3 . 1 . . . . 42 LEU CB . 26607 1 156 . 1 1 39 39 LEU N N 15 124.3 0.3 . 1 . . . . 42 LEU N . 26607 1 157 . 1 1 40 40 GLN H H 1 8.89 0.02 . 1 . . . . 43 GLN H . 26607 1 158 . 1 1 40 40 GLN C C 13 178.7 0.3 . 1 . . . . 43 GLN C . 26607 1 159 . 1 1 40 40 GLN CA C 13 61.5 0.3 . 1 . . . . 43 GLN CA . 26607 1 160 . 1 1 40 40 GLN CB C 13 30.9 0.3 . 1 . . . . 43 GLN CB . 26607 1 161 . 1 1 40 40 GLN N N 15 118.9 0.3 . 1 . . . . 43 GLN N . 26607 1 162 . 1 1 41 41 GLN H H 1 8.53 0.02 . 1 . . . . 44 GLN H . 26607 1 163 . 1 1 41 41 GLN C C 13 180.5 0.3 . 1 . . . . 44 GLN C . 26607 1 164 . 1 1 41 41 GLN CA C 13 59.7 0.3 . 1 . . . . 44 GLN CA . 26607 1 165 . 1 1 41 41 GLN CB C 13 29.4 0.3 . 1 . . . . 44 GLN CB . 26607 1 166 . 1 1 41 41 GLN N N 15 119.2 0.3 . 1 . . . . 44 GLN N . 26607 1 167 . 1 1 42 42 ILE H H 1 8.06 0.02 . 1 . . . . 45 ILE H . 26607 1 168 . 1 1 42 42 ILE C C 13 176.8 0.3 . 1 . . . . 45 ILE C . 26607 1 169 . 1 1 42 42 ILE CA C 13 66.5 0.3 . 1 . . . . 45 ILE CA . 26607 1 170 . 1 1 42 42 ILE CB C 13 39.0 0.3 . 1 . . . . 45 ILE CB . 26607 1 171 . 1 1 42 42 ILE N N 15 121.1 0.3 . 1 . . . . 45 ILE N . 26607 1 172 . 1 1 43 43 HIS H H 1 8.52 0.02 . 1 . . . . 46 HIS H . 26607 1 173 . 1 1 43 43 HIS C C 13 177.7 0.3 . 1 . . . . 46 HIS C . 26607 1 174 . 1 1 43 43 HIS CA C 13 63.2 0.3 . 1 . . . . 46 HIS CA . 26607 1 175 . 1 1 43 43 HIS CB C 13 33.4 0.3 . 1 . . . . 46 HIS CB . 26607 1 176 . 1 1 43 43 HIS N N 15 121.7 0.3 . 1 . . . . 46 HIS N . 26607 1 177 . 1 1 44 44 ARG H H 1 8.76 0.02 . 1 . . . . 47 ARG H . 26607 1 178 . 1 1 44 44 ARG C C 13 178.1 0.3 . 1 . . . . 47 ARG C . 26607 1 179 . 1 1 44 44 ARG CA C 13 59.8 0.3 . 1 . . . . 47 ARG CA . 26607 1 180 . 1 1 44 44 ARG CB C 13 30.4 0.3 . 1 . . . . 47 ARG CB . 26607 1 181 . 1 1 44 44 ARG N N 15 117.5 0.3 . 1 . . . . 47 ARG N . 26607 1 182 . 1 1 45 45 TYR H H 1 7.79 0.02 . 1 . . . . 48 TYR H . 26607 1 183 . 1 1 45 45 TYR C C 13 179.4 0.3 . 1 . . . . 48 TYR C . 26607 1 184 . 1 1 45 45 TYR CA C 13 61.1 0.3 . 1 . . . . 48 TYR CA . 26607 1 185 . 1 1 45 45 TYR CB C 13 39.3 0.3 . 1 . . . . 48 TYR CB . 26607 1 186 . 1 1 45 45 TYR N N 15 122.5 0.3 . 1 . . . . 48 TYR N . 26607 1 187 . 1 1 46 46 LEU H H 1 8.27 0.02 . 1 . . . . 49 LEU H . 26607 1 188 . 1 1 46 46 LEU C C 13 180.7 0.3 . 1 . . . . 49 LEU C . 26607 1 189 . 1 1 46 46 LEU CA C 13 58.6 0.3 . 1 . . . . 49 LEU CA . 26607 1 190 . 1 1 46 46 LEU CB C 13 42.1 0.3 . 1 . . . . 49 LEU CB . 26607 1 191 . 1 1 46 46 LEU N N 15 115.7 0.3 . 1 . . . . 49 LEU N . 26607 1 192 . 1 1 47 47 PHE H H 1 7.80 0.02 . 1 . . . . 50 PHE H . 26607 1 193 . 1 1 47 47 PHE C C 13 175.8 0.3 . 1 . . . . 50 PHE C . 26607 1 194 . 1 1 47 47 PHE CA C 13 57.3 0.3 . 1 . . . . 50 PHE CA . 26607 1 195 . 1 1 47 47 PHE CB C 13 40.0 0.3 . 1 . . . . 50 PHE CB . 26607 1 196 . 1 1 47 47 PHE N N 15 112.1 0.3 . 1 . . . . 50 PHE N . 26607 1 197 . 1 1 48 48 GLY H H 1 7.89 0.02 . 1 . . . . 51 GLY H . 26607 1 198 . 1 1 48 48 GLY C C 13 174.6 0.3 . 1 . . . . 51 GLY C . 26607 1 199 . 1 1 48 48 GLY CA C 13 47.5 0.3 . 1 . . . . 51 GLY CA . 26607 1 200 . 1 1 48 48 GLY N N 15 115.4 0.3 . 1 . . . . 51 GLY N . 26607 1 201 . 1 1 49 49 GLY H H 1 9.09 0.02 . 1 . . . . 52 GLY H . 26607 1 202 . 1 1 49 49 GLY C C 13 173.4 0.3 . 1 . . . . 52 GLY C . 26607 1 203 . 1 1 49 49 GLY CA C 13 45.5 0.3 . 1 . . . . 52 GLY CA . 26607 1 204 . 1 1 49 49 GLY N N 15 116.6 0.3 . 1 . . . . 52 GLY N . 26607 1 205 . 1 1 50 50 LEU H H 1 7.91 0.02 . 1 . . . . 53 LEU H . 26607 1 206 . 1 1 50 50 LEU C C 13 175.3 0.3 . 1 . . . . 53 LEU C . 26607 1 207 . 1 1 50 50 LEU CA C 13 55.5 0.3 . 1 . . . . 53 LEU CA . 26607 1 208 . 1 1 50 50 LEU CB C 13 42.9 0.3 . 1 . . . . 53 LEU CB . 26607 1 209 . 1 1 50 50 LEU N N 15 119.8 0.3 . 1 . . . . 53 LEU N . 26607 1 210 . 1 1 53 53 PHE C C 13 174.6 0.3 . 1 . . . . 56 PHE C . 26607 1 211 . 1 1 53 53 PHE CA C 13 54.9 0.3 . 1 . . . . 56 PHE CA . 26607 1 212 . 1 1 54 54 ALA H H 1 6.86 0.02 . 1 . . . . 57 ALA H . 26607 1 213 . 1 1 54 54 ALA C C 13 179.1 0.3 . 1 . . . . 57 ALA C . 26607 1 214 . 1 1 54 54 ALA CA C 13 53.9 0.3 . 1 . . . . 57 ALA CA . 26607 1 215 . 1 1 54 54 ALA CB C 13 18.2 0.3 . 1 . . . . 57 ALA CB . 26607 1 216 . 1 1 54 54 ALA N N 15 124.2 0.3 . 1 . . . . 57 ALA N . 26607 1 217 . 1 1 55 55 GLY H H 1 12.04 0.02 . 1 . . . . 58 GLY H . 26607 1 218 . 1 1 55 55 GLY C C 13 177.8 0.3 . 1 . . . . 58 GLY C . 26607 1 219 . 1 1 55 55 GLY CA C 13 46.3 0.3 . 1 . . . . 58 GLY CA . 26607 1 220 . 1 1 55 55 GLY N N 15 117.0 0.3 . 1 . . . . 58 GLY N . 26607 1 221 . 1 1 56 56 GLN H H 1 8.67 0.02 . 1 . . . . 59 GLN H . 26607 1 222 . 1 1 56 56 GLN C C 13 176.2 0.3 . 1 . . . . 59 GLN C . 26607 1 223 . 1 1 56 56 GLN CA C 13 55.1 0.3 . 1 . . . . 59 GLN CA . 26607 1 224 . 1 1 56 56 GLN CB C 13 30.0 0.3 . 1 . . . . 59 GLN CB . 26607 1 225 . 1 1 56 56 GLN N N 15 121.8 0.3 . 1 . . . . 59 GLN N . 26607 1 226 . 1 1 57 57 ILE H H 1 8.17 0.02 . 1 . . . . 60 ILE H . 26607 1 227 . 1 1 57 57 ILE C C 13 175.9 0.3 . 1 . . . . 60 ILE C . 26607 1 228 . 1 1 57 57 ILE CA C 13 60.1 0.3 . 1 . . . . 60 ILE CA . 26607 1 229 . 1 1 57 57 ILE CB C 13 36.6 0.3 . 1 . . . . 60 ILE CB . 26607 1 230 . 1 1 57 57 ILE N N 15 123.8 0.3 . 1 . . . . 60 ILE N . 26607 1 231 . 1 1 58 58 ARG H H 1 8.60 0.02 . 1 . . . . 61 ARG H . 26607 1 232 . 1 1 58 58 ARG C C 13 180.9 0.3 . 1 . . . . 61 ARG C . 26607 1 233 . 1 1 58 58 ARG CA C 13 56.7 0.3 . 1 . . . . 61 ARG CA . 26607 1 234 . 1 1 58 58 ARG CB C 13 31.2 0.3 . 1 . . . . 61 ARG CB . 26607 1 235 . 1 1 58 58 ARG N N 15 128.3 0.3 . 1 . . . . 61 ARG N . 26607 1 236 . 1 1 59 59 GLU H H 1 8.30 0.02 . 1 . . . . 62 GLU H . 26607 1 237 . 1 1 59 59 GLU C C 13 178.7 0.3 . 1 . . . . 62 GLU C . 26607 1 238 . 1 1 59 59 GLU CA C 13 55.6 0.3 . 1 . . . . 62 GLU CA . 26607 1 239 . 1 1 59 59 GLU CB C 13 31.1 0.3 . 1 . . . . 62 GLU CB . 26607 1 240 . 1 1 59 59 GLU N N 15 118.3 0.3 . 1 . . . . 62 GLU N . 26607 1 241 . 1 1 60 60 ASP H H 1 7.56 0.02 . 1 . . . . 63 ASP H . 26607 1 242 . 1 1 60 60 ASP C C 13 175.8 0.3 . 1 . . . . 63 ASP C . 26607 1 243 . 1 1 60 60 ASP CA C 13 53.3 0.3 . 1 . . . . 63 ASP CA . 26607 1 244 . 1 1 60 60 ASP CB C 13 43.1 0.3 . 1 . . . . 63 ASP CB . 26607 1 245 . 1 1 60 60 ASP N N 15 120.4 0.3 . 1 . . . . 63 ASP N . 26607 1 246 . 1 1 61 61 ASN H H 1 8.54 0.02 . 1 . . . . 64 ASN H . 26607 1 247 . 1 1 61 61 ASN C C 13 175.2 0.3 . 1 . . . . 64 ASN C . 26607 1 248 . 1 1 61 61 ASN CA C 13 53.5 0.3 . 1 . . . . 64 ASN CA . 26607 1 249 . 1 1 61 61 ASN CB C 13 39.1 0.3 . 1 . . . . 64 ASN CB . 26607 1 250 . 1 1 61 61 ASN N N 15 119.9 0.3 . 1 . . . . 64 ASN N . 26607 1 251 . 1 1 62 62 ILE H H 1 7.92 0.02 . 1 . . . . 65 ILE H . 26607 1 252 . 1 1 62 62 ILE C C 13 176.2 0.3 . 1 . . . . 65 ILE C . 26607 1 253 . 1 1 62 62 ILE CA C 13 61.2 0.3 . 1 . . . . 65 ILE CA . 26607 1 254 . 1 1 62 62 ILE CB C 13 39.9 0.3 . 1 . . . . 65 ILE CB . 26607 1 255 . 1 1 62 62 ILE N N 15 118.9 0.3 . 1 . . . . 65 ILE N . 26607 1 256 . 1 1 63 63 SER H H 1 8.27 0.02 . 1 . . . . 66 SER H . 26607 1 257 . 1 1 63 63 SER C C 13 175.9 0.3 . 1 . . . . 66 SER C . 26607 1 258 . 1 1 63 63 SER CA C 13 58.5 0.3 . 1 . . . . 66 SER CA . 26607 1 259 . 1 1 63 63 SER CB C 13 64.4 0.3 . 1 . . . . 66 SER CB . 26607 1 260 . 1 1 63 63 SER N N 15 119.2 0.3 . 1 . . . . 66 SER N . 26607 1 261 . 1 1 64 64 LYS H H 1 8.23 0.02 . 1 . . . . 67 LYS H . 26607 1 262 . 1 1 64 64 LYS C C 13 176.6 0.3 . 1 . . . . 67 LYS C . 26607 1 263 . 1 1 64 64 LYS CA C 13 56.8 0.3 . 1 . . . . 67 LYS CA . 26607 1 264 . 1 1 64 64 LYS CB C 13 33.5 0.3 . 1 . . . . 67 LYS CB . 26607 1 265 . 1 1 64 64 LYS N N 15 123.8 0.3 . 1 . . . . 67 LYS N . 26607 1 266 . 1 1 65 65 GLY H H 1 8.41 0.02 . 1 . . . . 68 GLY H . 26607 1 267 . 1 1 65 65 GLY C C 13 175.0 0.3 . 1 . . . . 68 GLY C . 26607 1 268 . 1 1 65 65 GLY CA C 13 45.8 0.3 . 1 . . . . 68 GLY CA . 26607 1 269 . 1 1 65 65 GLY N N 15 111.7 0.3 . 1 . . . . 68 GLY N . 26607 1 270 . 1 1 66 66 GLY H H 1 8.17 0.02 . 1 . . . . 69 GLY H . 26607 1 271 . 1 1 66 66 GLY C C 13 175.0 0.3 . 1 . . . . 69 GLY C . 26607 1 272 . 1 1 66 66 GLY CA C 13 45.3 0.3 . 1 . . . . 69 GLY CA . 26607 1 273 . 1 1 66 66 GLY N N 15 109.5 0.3 . 1 . . . . 69 GLY N . 26607 1 274 . 1 1 67 67 PHE H H 1 7.76 0.02 . 1 . . . . 70 PHE H . 26607 1 275 . 1 1 67 67 PHE C C 13 175.3 0.3 . 1 . . . . 70 PHE C . 26607 1 276 . 1 1 67 67 PHE CA C 13 58.1 0.3 . 1 . . . . 70 PHE CA . 26607 1 277 . 1 1 67 67 PHE CB C 13 40.0 0.3 . 1 . . . . 70 PHE CB . 26607 1 278 . 1 1 67 67 PHE N N 15 121.1 0.3 . 1 . . . . 70 PHE N . 26607 1 279 . 1 1 68 68 ARG H H 1 7.85 0.02 . 1 . . . . 71 ARG H . 26607 1 280 . 1 1 68 68 ARG C C 13 174.1 0.3 . 1 . . . . 71 ARG C . 26607 1 281 . 1 1 68 68 ARG CA C 13 56.2 0.3 . 1 . . . . 71 ARG CA . 26607 1 282 . 1 1 68 68 ARG CB C 13 30.3 0.3 . 1 . . . . 71 ARG CB . 26607 1 283 . 1 1 68 68 ARG N N 15 124.2 0.3 . 1 . . . . 71 ARG N . 26607 1 284 . 1 1 69 69 PHE H H 1 7.75 0.02 . 1 . . . . 72 PHE H . 26607 1 285 . 1 1 69 69 PHE C C 13 178.0 0.3 . 1 . . . . 72 PHE C . 26607 1 286 . 1 1 69 69 PHE CA C 13 56.9 0.3 . 1 . . . . 72 PHE CA . 26607 1 287 . 1 1 69 69 PHE CB C 13 40.0 0.3 . 1 . . . . 72 PHE CB . 26607 1 288 . 1 1 69 69 PHE N N 15 121.6 0.3 . 1 . . . . 72 PHE N . 26607 1 289 . 1 1 70 70 ALA H H 1 7.97 0.02 . 1 . . . . 73 ALA H . 26607 1 290 . 1 1 70 70 ALA C C 13 176.6 0.3 . 1 . . . . 73 ALA C . 26607 1 291 . 1 1 70 70 ALA CA C 13 53.1 0.3 . 1 . . . . 73 ALA CA . 26607 1 292 . 1 1 70 70 ALA CB C 13 19.1 0.3 . 1 . . . . 73 ALA CB . 26607 1 293 . 1 1 70 70 ALA N N 15 123.3 0.3 . 1 . . . . 73 ALA N . 26607 1 294 . 1 1 71 71 ASN H H 1 7.46 0.02 . 1 . . . . 74 ASN H . 26607 1 295 . 1 1 71 71 ASN C C 13 178.2 0.3 . 1 . . . . 74 ASN C . 26607 1 296 . 1 1 71 71 ASN CA C 13 53.1 0.3 . 1 . . . . 74 ASN CA . 26607 1 297 . 1 1 71 71 ASN CB C 13 39.8 0.3 . 1 . . . . 74 ASN CB . 26607 1 298 . 1 1 71 71 ASN N N 15 115.0 0.3 . 1 . . . . 74 ASN N . 26607 1 299 . 1 1 72 72 ALA H H 1 8.45 0.02 . 1 . . . . 75 ALA H . 26607 1 300 . 1 1 72 72 ALA C C 13 176.5 0.3 . 1 . . . . 75 ALA C . 26607 1 301 . 1 1 72 72 ALA CA C 13 53.7 0.3 . 1 . . . . 75 ALA CA . 26607 1 302 . 1 1 72 72 ALA CB C 13 18.7 0.3 . 1 . . . . 75 ALA CB . 26607 1 303 . 1 1 72 72 ALA N N 15 125.3 0.3 . 1 . . . . 75 ALA N . 26607 1 304 . 1 1 73 73 MET H H 1 8.18 0.02 . 1 . . . . 76 MET H . 26607 1 305 . 1 1 73 73 MET C C 13 181.3 0.3 . 1 . . . . 76 MET C . 26607 1 306 . 1 1 73 73 MET CA C 13 57.0 0.3 . 1 . . . . 76 MET CA . 26607 1 307 . 1 1 73 73 MET CB C 13 33.0 0.3 . 1 . . . . 76 MET CB . 26607 1 308 . 1 1 73 73 MET N N 15 118.1 0.3 . 1 . . . . 76 MET N . 26607 1 309 . 1 1 74 74 TYR H H 1 8.04 0.02 . 1 . . . . 77 TYR H . 26607 1 310 . 1 1 74 74 TYR C C 13 176.3 0.3 . 1 . . . . 77 TYR C . 26607 1 311 . 1 1 74 74 TYR CA C 13 61.5 0.3 . 1 . . . . 77 TYR CA . 26607 1 312 . 1 1 74 74 TYR CB C 13 38.8 0.3 . 1 . . . . 77 TYR CB . 26607 1 313 . 1 1 74 74 TYR N N 15 123.3 0.3 . 1 . . . . 77 TYR N . 26607 1 314 . 1 1 75 75 LEU H H 1 7.96 0.02 . 1 . . . . 78 LEU H . 26607 1 315 . 1 1 75 75 LEU C C 13 180.5 0.3 . 1 . . . . 78 LEU C . 26607 1 316 . 1 1 75 75 LEU CA C 13 59.4 0.3 . 1 . . . . 78 LEU CA . 26607 1 317 . 1 1 75 75 LEU CB C 13 37.8 0.3 . 1 . . . . 78 LEU CB . 26607 1 318 . 1 1 75 75 LEU N N 15 123.8 0.3 . 1 . . . . 78 LEU N . 26607 1 319 . 1 1 76 76 LYS H H 1 8.14 0.02 . 1 . . . . 79 LYS H . 26607 1 320 . 1 1 76 76 LYS C C 13 179.3 0.3 . 1 . . . . 79 LYS C . 26607 1 321 . 1 1 76 76 LYS CA C 13 59.8 0.3 . 1 . . . . 79 LYS CA . 26607 1 322 . 1 1 76 76 LYS CB C 13 29.9 0.3 . 1 . . . . 79 LYS CB . 26607 1 323 . 1 1 76 76 LYS N N 15 120.5 0.3 . 1 . . . . 79 LYS N . 26607 1 324 . 1 1 77 77 GLU H H 1 8.09 0.02 . 1 . . . . 80 GLU H . 26607 1 325 . 1 1 77 77 GLU C C 13 179.1 0.3 . 1 . . . . 80 GLU C . 26607 1 326 . 1 1 77 77 GLU CA C 13 59.0 0.3 . 1 . . . . 80 GLU CA . 26607 1 327 . 1 1 77 77 GLU CB C 13 29.0 0.3 . 1 . . . . 80 GLU CB . 26607 1 328 . 1 1 77 77 GLU N N 15 119.0 0.3 . 1 . . . . 80 GLU N . 26607 1 329 . 1 1 78 78 ALA H H 1 7.92 0.02 . 1 . . . . 81 ALA H . 26607 1 330 . 1 1 78 78 ALA C C 13 180.9 0.3 . 1 . . . . 81 ALA C . 26607 1 331 . 1 1 78 78 ALA CA C 13 55.3 0.3 . 1 . . . . 81 ALA CA . 26607 1 332 . 1 1 78 78 ALA CB C 13 17.7 0.3 . 1 . . . . 81 ALA CB . 26607 1 333 . 1 1 78 78 ALA N N 15 122.5 0.3 . 1 . . . . 81 ALA N . 26607 1 334 . 1 1 79 79 LEU H H 1 8.23 0.02 . 1 . . . . 82 LEU H . 26607 1 335 . 1 1 79 79 LEU C C 13 178.8 0.3 . 1 . . . . 82 LEU C . 26607 1 336 . 1 1 79 79 LEU CA C 13 58.4 0.3 . 1 . . . . 82 LEU CA . 26607 1 337 . 1 1 79 79 LEU CB C 13 40.4 0.3 . 1 . . . . 82 LEU CB . 26607 1 338 . 1 1 79 79 LEU N N 15 118.1 0.3 . 1 . . . . 82 LEU N . 26607 1 339 . 1 1 80 80 VAL H H 1 7.10 0.02 . 1 . . . . 83 VAL H . 26607 1 340 . 1 1 80 80 VAL C C 13 178.1 0.3 . 1 . . . . 83 VAL C . 26607 1 341 . 1 1 80 80 VAL CA C 13 66.3 0.3 . 1 . . . . 83 VAL CA . 26607 1 342 . 1 1 80 80 VAL CB C 13 31.9 0.3 . 1 . . . . 83 VAL CB . 26607 1 343 . 1 1 80 80 VAL N N 15 119.9 0.3 . 1 . . . . 83 VAL N . 26607 1 344 . 1 1 81 81 LYS H H 1 6.98 0.02 . 1 . . . . 84 LYS H . 26607 1 345 . 1 1 81 81 LYS C C 13 180.5 0.3 . 1 . . . . 84 LYS C . 26607 1 346 . 1 1 81 81 LYS CA C 13 59.0 0.3 . 1 . . . . 84 LYS CA . 26607 1 347 . 1 1 81 81 LYS CB C 13 32.0 0.3 . 1 . . . . 84 LYS CB . 26607 1 348 . 1 1 81 81 LYS N N 15 117.4 0.3 . 1 . . . . 84 LYS N . 26607 1 349 . 1 1 82 82 ILE H H 1 8.16 0.02 . 1 . . . . 85 ILE H . 26607 1 350 . 1 1 82 82 ILE C C 13 179.3 0.3 . 1 . . . . 85 ILE C . 26607 1 351 . 1 1 82 82 ILE CA C 13 65.7 0.3 . 1 . . . . 85 ILE CA . 26607 1 352 . 1 1 82 82 ILE CB C 13 38.8 0.3 . 1 . . . . 85 ILE CB . 26607 1 353 . 1 1 82 82 ILE N N 15 120.5 0.3 . 1 . . . . 85 ILE N . 26607 1 354 . 1 1 83 83 GLU H H 1 8.31 0.02 . 1 . . . . 86 GLU H . 26607 1 355 . 1 1 83 83 GLU C C 13 177.9 0.3 . 1 . . . . 86 GLU C . 26607 1 356 . 1 1 83 83 GLU CA C 13 59.8 0.3 . 1 . . . . 86 GLU CA . 26607 1 357 . 1 1 83 83 GLU CB C 13 29.0 0.3 . 1 . . . . 86 GLU CB . 26607 1 358 . 1 1 83 83 GLU N N 15 118.7 0.3 . 1 . . . . 86 GLU N . 26607 1 359 . 1 1 84 84 GLN H H 1 7.13 0.02 . 1 . . . . 87 GLN H . 26607 1 360 . 1 1 84 84 GLN C C 13 176.6 0.3 . 1 . . . . 87 GLN C . 26607 1 361 . 1 1 84 84 GLN CA C 13 56.4 0.3 . 1 . . . . 87 GLN CA . 26607 1 362 . 1 1 84 84 GLN CB C 13 29.0 0.3 . 1 . . . . 87 GLN CB . 26607 1 363 . 1 1 84 84 GLN N N 15 116.7 0.3 . 1 . . . . 87 GLN N . 26607 1 364 . 1 1 85 85 MET H H 1 7.83 0.02 . 1 . . . . 88 MET H . 26607 1 365 . 1 1 85 85 MET C C 13 174.7 0.3 . 1 . . . . 88 MET C . 26607 1 366 . 1 1 85 85 MET CA C 13 56.2 0.3 . 1 . . . . 88 MET CA . 26607 1 367 . 1 1 85 85 MET CB C 13 32.3 0.3 . 1 . . . . 88 MET CB . 26607 1 368 . 1 1 85 85 MET N N 15 122.5 0.3 . 1 . . . . 88 MET N . 26607 1 369 . 1 1 86 86 PRO C C 13 176.1 0.3 . 1 . . . . 89 PRO C . 26607 1 370 . 1 1 86 86 PRO CA C 13 62.9 0.3 . 1 . . . . 89 PRO CA . 26607 1 371 . 1 1 86 86 PRO CB C 13 33.0 0.3 . 1 . . . . 89 PRO CB . 26607 1 372 . 1 1 87 87 GLU H H 1 8.33 0.02 . 1 . . . . 90 GLU H . 26607 1 373 . 1 1 87 87 GLU C C 13 174.3 0.3 . 1 . . . . 90 GLU C . 26607 1 374 . 1 1 87 87 GLU CA C 13 54.1 0.3 . 1 . . . . 90 GLU CA . 26607 1 375 . 1 1 87 87 GLU CB C 13 30.5 0.3 . 1 . . . . 90 GLU CB . 26607 1 376 . 1 1 87 87 GLU N N 15 116.7 0.3 . 1 . . . . 90 GLU N . 26607 1 377 . 1 1 88 88 ARG H H 1 7.88 0.02 . 1 . . . . 91 ARG H . 26607 1 378 . 1 1 88 88 ARG C C 13 178.5 0.3 . 1 . . . . 91 ARG C . 26607 1 379 . 1 1 88 88 ARG CA C 13 58.9 0.3 . 1 . . . . 91 ARG CA . 26607 1 380 . 1 1 88 88 ARG CB C 13 31.3 0.3 . 1 . . . . 91 ARG CB . 26607 1 381 . 1 1 88 88 ARG N N 15 115.5 0.3 . 1 . . . . 91 ARG N . 26607 1 382 . 1 1 89 89 THR H H 1 7.26 0.02 . 1 . . . . 92 THR H . 26607 1 383 . 1 1 89 89 THR C C 13 174.7 0.3 . 1 . . . . 92 THR C . 26607 1 384 . 1 1 89 89 THR CA C 13 57.9 0.3 . 1 . . . . 92 THR CA . 26607 1 385 . 1 1 89 89 THR CB C 13 73.0 0.3 . 1 . . . . 92 THR CB . 26607 1 386 . 1 1 89 89 THR N N 15 105.1 0.3 . 1 . . . . 92 THR N . 26607 1 387 . 1 1 90 90 PHE H H 1 9.46 0.02 . 1 . . . . 93 PHE H . 26607 1 388 . 1 1 90 90 PHE C C 13 175.7 0.3 . 1 . . . . 93 PHE C . 26607 1 389 . 1 1 90 90 PHE CA C 13 62.7 0.3 . 1 . . . . 93 PHE CA . 26607 1 390 . 1 1 90 90 PHE CB C 13 39.3 0.3 . 1 . . . . 93 PHE CB . 26607 1 391 . 1 1 90 90 PHE N N 15 122.4 0.3 . 1 . . . . 93 PHE N . 26607 1 392 . 1 1 91 91 GLU H H 1 9.06 0.02 . 1 . . . . 94 GLU H . 26607 1 393 . 1 1 91 91 GLU C C 13 179.9 0.3 . 1 . . . . 94 GLU C . 26607 1 394 . 1 1 91 91 GLU CA C 13 62.5 0.3 . 1 . . . . 94 GLU CA . 26607 1 395 . 1 1 91 91 GLU CB C 13 28.4 0.3 . 1 . . . . 94 GLU CB . 26607 1 396 . 1 1 91 91 GLU N N 15 117.7 0.3 . 1 . . . . 94 GLU N . 26607 1 397 . 1 1 92 92 GLU H H 1 7.71 0.02 . 1 . . . . 95 GLU H . 26607 1 398 . 1 1 92 92 GLU C C 13 180.2 0.3 . 1 . . . . 95 GLU C . 26607 1 399 . 1 1 92 92 GLU CA C 13 59.6 0.3 . 1 . . . . 95 GLU CA . 26607 1 400 . 1 1 92 92 GLU CB C 13 29.0 0.3 . 1 . . . . 95 GLU CB . 26607 1 401 . 1 1 92 92 GLU N N 15 121.4 0.3 . 1 . . . . 95 GLU N . 26607 1 402 . 1 1 93 93 ILE H H 1 8.23 0.02 . 1 . . . . 96 ILE H . 26607 1 403 . 1 1 93 93 ILE C C 13 177.8 0.3 . 1 . . . . 96 ILE C . 26607 1 404 . 1 1 93 93 ILE CA C 13 66.8 0.3 . 1 . . . . 96 ILE CA . 26607 1 405 . 1 1 93 93 ILE CB C 13 37.9 0.3 . 1 . . . . 96 ILE CB . 26607 1 406 . 1 1 93 93 ILE N N 15 123.1 0.3 . 1 . . . . 96 ILE N . 26607 1 407 . 1 1 94 94 ILE H H 1 8.20 0.02 . 1 . . . . 97 ILE H . 26607 1 408 . 1 1 94 94 ILE C C 13 177.8 0.3 . 1 . . . . 97 ILE C . 26607 1 409 . 1 1 94 94 ILE CA C 13 61.8 0.3 . 1 . . . . 97 ILE CA . 26607 1 410 . 1 1 94 94 ILE CB C 13 33.9 0.3 . 1 . . . . 97 ILE CB . 26607 1 411 . 1 1 94 94 ILE N N 15 119.1 0.3 . 1 . . . . 97 ILE N . 26607 1 412 . 1 1 95 95 ALA H H 1 7.76 0.02 . 1 . . . . 98 ALA H . 26607 1 413 . 1 1 95 95 ALA C C 13 180.4 0.3 . 1 . . . . 98 ALA C . 26607 1 414 . 1 1 95 95 ALA CA C 13 55.8 0.3 . 1 . . . . 98 ALA CA . 26607 1 415 . 1 1 95 95 ALA CB C 13 17.7 0.3 . 1 . . . . 98 ALA CB . 26607 1 416 . 1 1 95 95 ALA N N 15 122.6 0.3 . 1 . . . . 98 ALA N . 26607 1 417 . 1 1 96 96 LYS C C 13 179.3 0.3 . 1 . . . . 99 LYS C . 26607 1 418 . 1 1 96 96 LYS CA C 13 59.8 0.3 . 1 . . . . 99 LYS CA . 26607 1 419 . 1 1 96 96 LYS CB C 13 31.2 0.3 . 1 . . . . 99 LYS CB . 26607 1 420 . 1 1 97 97 TYR H H 1 8.48 0.02 . 1 . . . . 100 TYR H . 26607 1 421 . 1 1 97 97 TYR C C 13 177.3 0.3 . 1 . . . . 100 TYR C . 26607 1 422 . 1 1 97 97 TYR CA C 13 61.2 0.3 . 1 . . . . 100 TYR CA . 26607 1 423 . 1 1 97 97 TYR CB C 13 39.7 0.3 . 1 . . . . 100 TYR CB . 26607 1 424 . 1 1 97 97 TYR N N 15 120.2 0.3 . 1 . . . . 100 TYR N . 26607 1 425 . 1 1 98 98 VAL H H 1 9.20 0.02 . 1 . . . . 101 VAL H . 26607 1 426 . 1 1 98 98 VAL C C 13 179.0 0.3 . 1 . . . . 101 VAL C . 26607 1 427 . 1 1 98 98 VAL CA C 13 67.4 0.3 . 1 . . . . 101 VAL CA . 26607 1 428 . 1 1 98 98 VAL CB C 13 31.7 0.3 . 1 . . . . 101 VAL CB . 26607 1 429 . 1 1 98 98 VAL N N 15 122.1 0.3 . 1 . . . . 101 VAL N . 26607 1 430 . 1 1 99 99 ARG H H 1 7.62 0.02 . 1 . . . . 102 ARG H . 26607 1 431 . 1 1 99 99 ARG C C 13 177.9 0.3 . 1 . . . . 102 ARG C . 26607 1 432 . 1 1 99 99 ARG CA C 13 59.0 0.3 . 1 . . . . 102 ARG CA . 26607 1 433 . 1 1 99 99 ARG CB C 13 29.4 0.3 . 1 . . . . 102 ARG CB . 26607 1 434 . 1 1 99 99 ARG N N 15 117.4 0.3 . 1 . . . . 102 ARG N . 26607 1 435 . 1 1 100 100 MET H H 1 8.13 0.02 . 1 . . . . 103 MET H . 26607 1 436 . 1 1 100 100 MET C C 13 177.8 0.3 . 1 . . . . 103 MET C . 26607 1 437 . 1 1 100 100 MET CA C 13 57.6 0.3 . 1 . . . . 103 MET CA . 26607 1 438 . 1 1 100 100 MET CB C 13 32.6 0.3 . 1 . . . . 103 MET CB . 26607 1 439 . 1 1 100 100 MET N N 15 120.8 0.3 . 1 . . . . 103 MET N . 26607 1 440 . 1 1 101 101 ASN H H 1 8.15 0.02 . 1 . . . . 104 ASN H . 26607 1 441 . 1 1 101 101 ASN C C 13 177.4 0.3 . 1 . . . . 104 ASN C . 26607 1 442 . 1 1 101 101 ASN CA C 13 57.3 0.3 . 1 . . . . 104 ASN CA . 26607 1 443 . 1 1 101 101 ASN CB C 13 39.3 0.3 . 1 . . . . 104 ASN CB . 26607 1 444 . 1 1 101 101 ASN N N 15 117.8 0.3 . 1 . . . . 104 ASN N . 26607 1 445 . 1 1 102 102 ILE H H 1 7.58 0.02 . 1 . . . . 105 ILE H . 26607 1 446 . 1 1 102 102 ILE C C 13 177.1 0.3 . 1 . . . . 105 ILE C . 26607 1 447 . 1 1 102 102 ILE CA C 13 64.6 0.3 . 1 . . . . 105 ILE CA . 26607 1 448 . 1 1 102 102 ILE CB C 13 38.9 0.3 . 1 . . . . 105 ILE CB . 26607 1 449 . 1 1 102 102 ILE N N 15 119.7 0.3 . 1 . . . . 105 ILE N . 26607 1 450 . 1 1 103 103 ALA H H 1 7.52 0.02 . 1 . . . . 106 ALA H . 26607 1 451 . 1 1 103 103 ALA C C 13 176.9 0.3 . 1 . . . . 106 ALA C . 26607 1 452 . 1 1 103 103 ALA CA C 13 55.2 0.3 . 1 . . . . 106 ALA CA . 26607 1 453 . 1 1 103 103 ALA CB C 13 17.5 0.3 . 1 . . . . 106 ALA CB . 26607 1 454 . 1 1 103 103 ALA N N 15 121.9 0.3 . 1 . . . . 106 ALA N . 26607 1 455 . 1 1 104 104 ALA H H 1 7.02 0.02 . 1 . . . . 107 ALA H . 26607 1 456 . 1 1 104 104 ALA C C 13 174.2 0.3 . 1 . . . . 107 ALA C . 26607 1 457 . 1 1 104 104 ALA CA C 13 52.1 0.3 . 1 . . . . 107 ALA CA . 26607 1 458 . 1 1 104 104 ALA CB C 13 18.1 0.3 . 1 . . . . 107 ALA CB . 26607 1 459 . 1 1 104 104 ALA N N 15 112.2 0.3 . 1 . . . . 107 ALA N . 26607 1 460 . 1 1 105 105 PRO C C 13 173.7 0.3 . 1 . . . . 108 PRO C . 26607 1 461 . 1 1 105 105 PRO CA C 13 64.9 0.3 . 1 . . . . 108 PRO CA . 26607 1 462 . 1 1 105 105 PRO CB C 13 32.4 0.3 . 1 . . . . 108 PRO CB . 26607 1 463 . 1 1 106 106 PHE H H 1 8.47 0.02 . 1 . . . . 109 PHE H . 26607 1 464 . 1 1 106 106 PHE C C 13 177.8 0.3 . 1 . . . . 109 PHE C . 26607 1 465 . 1 1 106 106 PHE CA C 13 54.8 0.3 . 1 . . . . 109 PHE CA . 26607 1 466 . 1 1 106 106 PHE CB C 13 42.8 0.3 . 1 . . . . 109 PHE CB . 26607 1 467 . 1 1 106 106 PHE N N 15 116.1 0.3 . 1 . . . . 109 PHE N . 26607 1 468 . 1 1 107 107 LEU H H 1 8.47 0.02 . 1 . . . . 110 LEU H . 26607 1 469 . 1 1 107 107 LEU C C 13 177.3 0.3 . 1 . . . . 110 LEU C . 26607 1 470 . 1 1 107 107 LEU CA C 13 57.9 0.3 . 1 . . . . 110 LEU CA . 26607 1 471 . 1 1 107 107 LEU CB C 13 39.8 0.3 . 1 . . . . 110 LEU CB . 26607 1 472 . 1 1 107 107 LEU N N 15 120.4 0.3 . 1 . . . . 110 LEU N . 26607 1 473 . 1 1 108 108 GLU H H 1 6.71 0.02 . 1 . . . . 111 GLU H . 26607 1 474 . 1 1 108 108 GLU C C 13 176.4 0.3 . 1 . . . . 111 GLU C . 26607 1 475 . 1 1 108 108 GLU CA C 13 54.4 0.3 . 1 . . . . 111 GLU CA . 26607 1 476 . 1 1 108 108 GLU CB C 13 34.3 0.3 . 1 . . . . 111 GLU CB . 26607 1 477 . 1 1 108 108 GLU N N 15 110.8 0.3 . 1 . . . . 111 GLU N . 26607 1 478 . 1 1 109 109 GLY H H 1 9.58 0.02 . 1 . . . . 112 GLY H . 26607 1 479 . 1 1 109 109 GLY C C 13 176.7 0.3 . 1 . . . . 112 GLY C . 26607 1 480 . 1 1 109 109 GLY CA C 13 47.4 0.3 . 1 . . . . 112 GLY CA . 26607 1 481 . 1 1 109 109 GLY N N 15 111.1 0.3 . 1 . . . . 112 GLY N . 26607 1 482 . 1 1 110 110 ASN H H 1 8.43 0.02 . 1 . . . . 113 ASN H . 26607 1 483 . 1 1 110 110 ASN C C 13 179.6 0.3 . 1 . . . . 113 ASN C . 26607 1 484 . 1 1 110 110 ASN CA C 13 58.2 0.3 . 1 . . . . 113 ASN CA . 26607 1 485 . 1 1 110 110 ASN CB C 13 39.9 0.3 . 1 . . . . 113 ASN CB . 26607 1 486 . 1 1 110 110 ASN N N 15 121.2 0.3 . 1 . . . . 113 ASN N . 26607 1 487 . 1 1 111 111 GLY H H 1 9.12 0.02 . 1 . . . . 114 GLY H . 26607 1 488 . 1 1 111 111 GLY C C 13 176.2 0.3 . 1 . . . . 114 GLY C . 26607 1 489 . 1 1 111 111 GLY CA C 13 48.0 0.3 . 1 . . . . 114 GLY CA . 26607 1 490 . 1 1 111 111 GLY N N 15 115.7 0.3 . 1 . . . . 114 GLY N . 26607 1 491 . 1 1 112 112 ARG H H 1 8.43 0.02 . 1 . . . . 115 ARG H . 26607 1 492 . 1 1 112 112 ARG C C 13 179.6 0.3 . 1 . . . . 115 ARG C . 26607 1 493 . 1 1 112 112 ARG CA C 13 59.3 0.3 . 1 . . . . 115 ARG CA . 26607 1 494 . 1 1 112 112 ARG CB C 13 30.6 0.3 . 1 . . . . 115 ARG CB . 26607 1 495 . 1 1 112 112 ARG N N 15 121.0 0.3 . 1 . . . . 115 ARG N . 26607 1 496 . 1 1 113 113 SER H H 1 7.32 0.02 . 1 . . . . 116 SER H . 26607 1 497 . 1 1 113 113 SER C C 13 179.5 0.3 . 1 . . . . 116 SER C . 26607 1 498 . 1 1 113 113 SER CA C 13 62.1 0.3 . 1 . . . . 116 SER CA . 26607 1 499 . 1 1 113 113 SER CB C 13 63.2 0.3 . 1 . . . . 116 SER CB . 26607 1 500 . 1 1 113 113 SER N N 15 111.0 0.3 . 1 . . . . 116 SER N . 26607 1 501 . 1 1 114 114 THR H H 1 8.29 0.02 . 1 . . . . 117 THR H . 26607 1 502 . 1 1 114 114 THR C C 13 176.3 0.3 . 1 . . . . 117 THR C . 26607 1 503 . 1 1 114 114 THR CA C 13 66.2 0.3 . 1 . . . . 117 THR CA . 26607 1 504 . 1 1 114 114 THR CB C 13 69.0 0.3 . 1 . . . . 117 THR CB . 26607 1 505 . 1 1 114 114 THR N N 15 115.7 0.3 . 1 . . . . 117 THR N . 26607 1 506 . 1 1 115 115 ARG H H 1 7.96 0.02 . 1 . . . . 118 ARG H . 26607 1 507 . 1 1 115 115 ARG C C 13 177.9 0.3 . 1 . . . . 118 ARG C . 26607 1 508 . 1 1 115 115 ARG CA C 13 62.8 0.3 . 1 . . . . 118 ARG CA . 26607 1 509 . 1 1 115 115 ARG CB C 13 30.5 0.3 . 1 . . . . 118 ARG CB . 26607 1 510 . 1 1 115 115 ARG N N 15 123.2 0.3 . 1 . . . . 118 ARG N . 26607 1 511 . 1 1 116 116 ILE H H 1 6.58 0.02 . 1 . . . . 119 ILE H . 26607 1 512 . 1 1 116 116 ILE C C 13 177.8 0.3 . 1 . . . . 119 ILE C . 26607 1 513 . 1 1 116 116 ILE CA C 13 65.7 0.3 . 1 . . . . 119 ILE CA . 26607 1 514 . 1 1 116 116 ILE CB C 13 38.9 0.3 . 1 . . . . 119 ILE CB . 26607 1 515 . 1 1 116 116 ILE N N 15 118.7 0.3 . 1 . . . . 119 ILE N . 26607 1 516 . 1 1 117 117 TRP H H 1 7.90 0.02 . 1 . . . . 120 TRP H . 26607 1 517 . 1 1 117 117 TRP C C 13 178.4 0.3 . 1 . . . . 120 TRP C . 26607 1 518 . 1 1 117 117 TRP CA C 13 62.4 0.3 . 1 . . . . 120 TRP CA . 26607 1 519 . 1 1 117 117 TRP CB C 13 30.6 0.3 . 1 . . . . 120 TRP CB . 26607 1 520 . 1 1 117 117 TRP N N 15 121.1 0.3 . 1 . . . . 120 TRP N . 26607 1 521 . 1 1 118 118 LEU H H 1 8.83 0.02 . 1 . . . . 121 LEU H . 26607 1 522 . 1 1 118 118 LEU C C 13 177.6 0.3 . 1 . . . . 121 LEU C . 26607 1 523 . 1 1 118 118 LEU CA C 13 58.5 0.3 . 1 . . . . 121 LEU CA . 26607 1 524 . 1 1 118 118 LEU CB C 13 41.2 0.3 . 1 . . . . 121 LEU CB . 26607 1 525 . 1 1 118 118 LEU N N 15 120.9 0.3 . 1 . . . . 121 LEU N . 26607 1 526 . 1 1 119 119 ASP H H 1 7.86 0.02 . 1 . . . . 122 ASP H . 26607 1 527 . 1 1 119 119 ASP C C 13 179.4 0.3 . 1 . . . . 122 ASP C . 26607 1 528 . 1 1 119 119 ASP CA C 13 58.4 0.3 . 1 . . . . 122 ASP CA . 26607 1 529 . 1 1 119 119 ASP CB C 13 40.8 0.3 . 1 . . . . 122 ASP CB . 26607 1 530 . 1 1 119 119 ASP N N 15 121.4 0.3 . 1 . . . . 122 ASP N . 26607 1 531 . 1 1 120 120 LEU H H 1 7.91 0.02 . 1 . . . . 123 LEU H . 26607 1 532 . 1 1 120 120 LEU C C 13 180.4 0.3 . 1 . . . . 123 LEU C . 26607 1 533 . 1 1 120 120 LEU CA C 13 58.2 0.3 . 1 . . . . 123 LEU CA . 26607 1 534 . 1 1 120 120 LEU CB C 13 41.7 0.3 . 1 . . . . 123 LEU CB . 26607 1 535 . 1 1 120 120 LEU N N 15 117.7 0.3 . 1 . . . . 123 LEU N . 26607 1 536 . 1 1 121 121 VAL H H 1 7.43 0.02 . 1 . . . . 124 VAL H . 26607 1 537 . 1 1 121 121 VAL C C 13 180.3 0.3 . 1 . . . . 124 VAL C . 26607 1 538 . 1 1 121 121 VAL CA C 13 66.9 0.3 . 1 . . . . 124 VAL CA . 26607 1 539 . 1 1 121 121 VAL CB C 13 31.3 0.3 . 1 . . . . 124 VAL CB . 26607 1 540 . 1 1 121 121 VAL N N 15 122.0 0.3 . 1 . . . . 124 VAL N . 26607 1 541 . 1 1 122 122 LEU H H 1 8.91 0.02 . 1 . . . . 125 LEU H . 26607 1 542 . 1 1 122 122 LEU C C 13 179.9 0.3 . 1 . . . . 125 LEU C . 26607 1 543 . 1 1 122 122 LEU CA C 13 59.3 0.3 . 1 . . . . 125 LEU CA . 26607 1 544 . 1 1 122 122 LEU CB C 13 42.6 0.3 . 1 . . . . 125 LEU CB . 26607 1 545 . 1 1 122 122 LEU N N 15 124.9 0.3 . 1 . . . . 125 LEU N . 26607 1 546 . 1 1 123 123 LYS H H 1 9.18 0.02 . 1 . . . . 126 LYS H . 26607 1 547 . 1 1 123 123 LYS C C 13 180.1 0.3 . 1 . . . . 126 LYS C . 26607 1 548 . 1 1 123 123 LYS CA C 13 61.6 0.3 . 1 . . . . 126 LYS CA . 26607 1 549 . 1 1 123 123 LYS CB C 13 32.9 0.3 . 1 . . . . 126 LYS CB . 26607 1 550 . 1 1 123 123 LYS N N 15 125.4 0.3 . 1 . . . . 126 LYS N . 26607 1 551 . 1 1 124 124 LYS H H 1 7.91 0.02 . 1 . . . . 127 LYS H . 26607 1 552 . 1 1 124 124 LYS C C 13 177.6 0.3 . 1 . . . . 127 LYS C . 26607 1 553 . 1 1 124 124 LYS CA C 13 59.5 0.3 . 1 . . . . 127 LYS CA . 26607 1 554 . 1 1 124 124 LYS CB C 13 34.1 0.3 . 1 . . . . 127 LYS CB . 26607 1 555 . 1 1 124 124 LYS N N 15 119.5 0.3 . 1 . . . . 127 LYS N . 26607 1 556 . 1 1 125 125 ASN H H 1 7.52 0.02 . 1 . . . . 128 ASN H . 26607 1 557 . 1 1 125 125 ASN C C 13 176.1 0.3 . 1 . . . . 128 ASN C . 26607 1 558 . 1 1 125 125 ASN CA C 13 56.5 0.3 . 1 . . . . 128 ASN CA . 26607 1 559 . 1 1 125 125 ASN CB C 13 42.3 0.3 . 1 . . . . 128 ASN CB . 26607 1 560 . 1 1 125 125 ASN N N 15 112.5 0.3 . 1 . . . . 128 ASN N . 26607 1 561 . 1 1 126 126 LEU H H 1 8.62 0.02 . 1 . . . . 129 LEU H . 26607 1 562 . 1 1 126 126 LEU C C 13 176.2 0.3 . 1 . . . . 129 LEU C . 26607 1 563 . 1 1 126 126 LEU CA C 13 53.9 0.3 . 1 . . . . 129 LEU CA . 26607 1 564 . 1 1 126 126 LEU CB C 13 43.3 0.3 . 1 . . . . 129 LEU CB . 26607 1 565 . 1 1 126 126 LEU N N 15 117.2 0.3 . 1 . . . . 129 LEU N . 26607 1 566 . 1 1 127 127 LYS H H 1 7.60 0.02 . 1 . . . . 130 LYS H . 26607 1 567 . 1 1 127 127 LYS C C 13 174.8 0.3 . 1 . . . . 130 LYS C . 26607 1 568 . 1 1 127 127 LYS CA C 13 57.6 0.3 . 1 . . . . 130 LYS CA . 26607 1 569 . 1 1 127 127 LYS CB C 13 29.2 0.3 . 1 . . . . 130 LYS CB . 26607 1 570 . 1 1 127 127 LYS N N 15 117.2 0.3 . 1 . . . . 130 LYS N . 26607 1 571 . 1 1 128 128 LYS H H 1 6.92 0.02 . 1 . . . . 131 LYS H . 26607 1 572 . 1 1 128 128 LYS C C 13 174.0 0.3 . 1 . . . . 131 LYS C . 26607 1 573 . 1 1 128 128 LYS CA C 13 54.8 0.3 . 1 . . . . 131 LYS CA . 26607 1 574 . 1 1 128 128 LYS CB C 13 40.2 0.3 . 1 . . . . 131 LYS CB . 26607 1 575 . 1 1 128 128 LYS N N 15 116.8 0.3 . 1 . . . . 131 LYS N . 26607 1 576 . 1 1 129 129 VAL H H 1 7.78 0.02 . 1 . . . . 132 VAL H . 26607 1 577 . 1 1 129 129 VAL C C 13 175.2 0.3 . 1 . . . . 132 VAL C . 26607 1 578 . 1 1 129 129 VAL CA C 13 59.8 0.3 . 1 . . . . 132 VAL CA . 26607 1 579 . 1 1 129 129 VAL CB C 13 36.5 0.3 . 1 . . . . 132 VAL CB . 26607 1 580 . 1 1 129 129 VAL N N 15 106.2 0.3 . 1 . . . . 132 VAL N . 26607 1 581 . 1 1 130 130 VAL H H 1 8.92 0.02 . 1 . . . . 133 VAL H . 26607 1 582 . 1 1 130 130 VAL C C 13 176.1 0.3 . 1 . . . . 133 VAL C . 26607 1 583 . 1 1 130 130 VAL CA C 13 63.8 0.3 . 1 . . . . 133 VAL CA . 26607 1 584 . 1 1 130 130 VAL CB C 13 31.2 0.3 . 1 . . . . 133 VAL CB . 26607 1 585 . 1 1 130 130 VAL N N 15 121.4 0.3 . 1 . . . . 133 VAL N . 26607 1 586 . 1 1 131 131 ASN H H 1 8.69 0.02 . 1 . . . . 134 ASN H . 26607 1 587 . 1 1 131 131 ASN C C 13 176.0 0.3 . 1 . . . . 134 ASN C . 26607 1 588 . 1 1 131 131 ASN CA C 13 49.7 0.3 . 1 . . . . 134 ASN CA . 26607 1 589 . 1 1 131 131 ASN CB C 13 35.8 0.3 . 1 . . . . 134 ASN CB . 26607 1 590 . 1 1 131 131 ASN N N 15 126.9 0.3 . 1 . . . . 134 ASN N . 26607 1 591 . 1 1 132 132 TRP H H 1 7.19 0.02 . 1 . . . . 135 TRP H . 26607 1 592 . 1 1 132 132 TRP C C 13 178.4 0.3 . 1 . . . . 135 TRP C . 26607 1 593 . 1 1 132 132 TRP CA C 13 60.4 0.3 . 1 . . . . 135 TRP CA . 26607 1 594 . 1 1 132 132 TRP CB C 13 30.5 0.3 . 1 . . . . 135 TRP CB . 26607 1 595 . 1 1 132 132 TRP N N 15 121.7 0.3 . 1 . . . . 135 TRP N . 26607 1 596 . 1 1 133 133 GLN H H 1 8.61 0.02 . 1 . . . . 136 GLN H . 26607 1 597 . 1 1 133 133 GLN C C 13 175.3 0.3 . 1 . . . . 136 GLN C . 26607 1 598 . 1 1 133 133 GLN CA C 13 58.5 0.3 . 1 . . . . 136 GLN CA . 26607 1 599 . 1 1 133 133 GLN CB C 13 27.5 0.3 . 1 . . . . 136 GLN CB . 26607 1 600 . 1 1 133 133 GLN N N 15 114.5 0.3 . 1 . . . . 136 GLN N . 26607 1 601 . 1 1 134 134 ASN H H 1 7.42 0.02 . 1 . . . . 137 ASN H . 26607 1 602 . 1 1 134 134 ASN C C 13 174.5 0.3 . 1 . . . . 137 ASN C . 26607 1 603 . 1 1 134 134 ASN CA C 13 52.5 0.3 . 1 . . . . 137 ASN CA . 26607 1 604 . 1 1 134 134 ASN CB C 13 39.6 0.3 . 1 . . . . 137 ASN CB . 26607 1 605 . 1 1 134 134 ASN N N 15 117.2 0.3 . 1 . . . . 137 ASN N . 26607 1 606 . 1 1 135 135 VAL H H 1 8.12 0.02 . 1 . . . . 138 VAL H . 26607 1 607 . 1 1 135 135 VAL C C 13 176.1 0.3 . 1 . . . . 138 VAL C . 26607 1 608 . 1 1 135 135 VAL CA C 13 62.5 0.3 . 1 . . . . 138 VAL CA . 26607 1 609 . 1 1 135 135 VAL CB C 13 30.4 0.3 . 1 . . . . 138 VAL CB . 26607 1 610 . 1 1 135 135 VAL N N 15 124.4 0.3 . 1 . . . . 138 VAL N . 26607 1 611 . 1 1 136 136 SER H H 1 8.67 0.02 . 1 . . . . 139 SER H . 26607 1 612 . 1 1 136 136 SER C C 13 174.4 0.3 . 1 . . . . 139 SER C . 26607 1 613 . 1 1 136 136 SER CA C 13 58.4 0.3 . 1 . . . . 139 SER CA . 26607 1 614 . 1 1 136 136 SER CB C 13 64.3 0.3 . 1 . . . . 139 SER CB . 26607 1 615 . 1 1 136 136 SER N N 15 127.2 0.3 . 1 . . . . 139 SER N . 26607 1 616 . 1 1 137 137 LYS H H 1 9.03 0.02 . 1 . . . . 140 LYS H . 26607 1 617 . 1 1 137 137 LYS C C 13 177.6 0.3 . 1 . . . . 140 LYS C . 26607 1 618 . 1 1 137 137 LYS CA C 13 60.7 0.3 . 1 . . . . 140 LYS CA . 26607 1 619 . 1 1 137 137 LYS CB C 13 33.4 0.3 . 1 . . . . 140 LYS CB . 26607 1 620 . 1 1 137 137 LYS N N 15 126.6 0.3 . 1 . . . . 140 LYS N . 26607 1 621 . 1 1 138 138 THR H H 1 8.19 0.02 . 1 . . . . 141 THR H . 26607 1 622 . 1 1 138 138 THR C C 13 177.1 0.3 . 1 . . . . 141 THR C . 26607 1 623 . 1 1 138 138 THR CA C 13 66.6 0.3 . 1 . . . . 141 THR CA . 26607 1 624 . 1 1 138 138 THR CB C 13 69.0 0.3 . 1 . . . . 141 THR CB . 26607 1 625 . 1 1 138 138 THR N N 15 113.1 0.3 . 1 . . . . 141 THR N . 26607 1 626 . 1 1 139 139 LEU H H 1 7.16 0.02 . 1 . . . . 142 LEU H . 26607 1 627 . 1 1 139 139 LEU C C 13 180.2 0.3 . 1 . . . . 142 LEU C . 26607 1 628 . 1 1 139 139 LEU CA C 13 57.6 0.3 . 1 . . . . 142 LEU CA . 26607 1 629 . 1 1 139 139 LEU CB C 13 41.6 0.3 . 1 . . . . 142 LEU CB . 26607 1 630 . 1 1 139 139 LEU N N 15 119.4 0.3 . 1 . . . . 142 LEU N . 26607 1 631 . 1 1 140 140 TYR H H 1 8.69 0.02 . 1 . . . . 143 TYR H . 26607 1 632 . 1 1 140 140 TYR C C 13 176.9 0.3 . 1 . . . . 143 TYR C . 26607 1 633 . 1 1 140 140 TYR CA C 13 62.4 0.3 . 1 . . . . 143 TYR CA . 26607 1 634 . 1 1 140 140 TYR CB C 13 38.6 0.3 . 1 . . . . 143 TYR CB . 26607 1 635 . 1 1 140 140 TYR N N 15 122.3 0.3 . 1 . . . . 143 TYR N . 26607 1 636 . 1 1 141 141 LEU H H 1 8.53 0.02 . 1 . . . . 144 LEU H . 26607 1 637 . 1 1 141 141 LEU C C 13 181.2 0.3 . 1 . . . . 144 LEU C . 26607 1 638 . 1 1 141 141 LEU CA C 13 58.4 0.3 . 1 . . . . 144 LEU CA . 26607 1 639 . 1 1 141 141 LEU CB C 13 40.6 0.3 . 1 . . . . 144 LEU CB . 26607 1 640 . 1 1 141 141 LEU N N 15 119.3 0.3 . 1 . . . . 144 LEU N . 26607 1 641 . 1 1 142 142 GLN H H 1 7.53 0.02 . 1 . . . . 145 GLN H . 26607 1 642 . 1 1 142 142 GLN C C 13 179.1 0.3 . 1 . . . . 145 GLN C . 26607 1 643 . 1 1 142 142 GLN CA C 13 59.1 0.3 . 1 . . . . 145 GLN CA . 26607 1 644 . 1 1 142 142 GLN CB C 13 29.0 0.3 . 1 . . . . 145 GLN CB . 26607 1 645 . 1 1 142 142 GLN N N 15 118.4 0.3 . 1 . . . . 145 GLN N . 26607 1 646 . 1 1 143 143 ALA H H 1 7.89 0.02 . 1 . . . . 146 ALA H . 26607 1 647 . 1 1 143 143 ALA C C 13 181.6 0.3 . 1 . . . . 146 ALA C . 26607 1 648 . 1 1 143 143 ALA CA C 13 55.3 0.3 . 1 . . . . 146 ALA CA . 26607 1 649 . 1 1 143 143 ALA CB C 13 17.7 0.3 . 1 . . . . 146 ALA CB . 26607 1 650 . 1 1 143 143 ALA N N 15 123.5 0.3 . 1 . . . . 146 ALA N . 26607 1 651 . 1 1 144 144 MET H H 1 8.58 0.02 . 1 . . . . 147 MET H . 26607 1 652 . 1 1 144 144 MET C C 13 181.4 0.3 . 1 . . . . 147 MET C . 26607 1 653 . 1 1 144 144 MET CA C 13 56.5 0.3 . 1 . . . . 147 MET CA . 26607 1 654 . 1 1 144 144 MET CB C 13 29.7 0.3 . 1 . . . . 147 MET CB . 26607 1 655 . 1 1 144 144 MET N N 15 118.6 0.3 . 1 . . . . 147 MET N . 26607 1 656 . 1 1 145 145 GLU H H 1 8.06 0.02 . 1 . . . . 148 GLU H . 26607 1 657 . 1 1 145 145 GLU C C 13 175.4 0.3 . 1 . . . . 148 GLU C . 26607 1 658 . 1 1 145 145 GLU CA C 13 57.4 0.3 . 1 . . . . 148 GLU CA . 26607 1 659 . 1 1 145 145 GLU CB C 13 30.1 0.3 . 1 . . . . 148 GLU CB . 26607 1 660 . 1 1 145 145 GLU N N 15 125.9 0.3 . 1 . . . . 148 GLU N . 26607 1 661 . 1 1 146 146 ARG H H 1 8.02 0.02 . 1 . . . . 149 ARG H . 26607 1 662 . 1 1 146 146 ARG C C 13 176.6 0.3 . 1 . . . . 149 ARG C . 26607 1 663 . 1 1 146 146 ARG CA C 13 59.7 0.3 . 1 . . . . 149 ARG CA . 26607 1 664 . 1 1 146 146 ARG CB C 13 31.1 0.3 . 1 . . . . 149 ARG CB . 26607 1 665 . 1 1 146 146 ARG N N 15 123.3 0.3 . 1 . . . . 149 ARG N . 26607 1 666 . 1 1 147 147 SER H H 1 8.24 0.02 . 1 . . . . 150 SER H . 26607 1 667 . 1 1 147 147 SER C C 13 176.5 0.3 . 1 . . . . 150 SER C . 26607 1 668 . 1 1 147 147 SER CA C 13 58.6 0.3 . 1 . . . . 150 SER CA . 26607 1 669 . 1 1 147 147 SER CB C 13 63.9 0.3 . 1 . . . . 150 SER CB . 26607 1 670 . 1 1 147 147 SER N N 15 120.2 0.3 . 1 . . . . 150 SER N . 26607 1 671 . 1 1 148 148 PRO C C 13 177.2 0.3 . 1 . . . . 151 PRO C . 26607 1 672 . 1 1 148 148 PRO CA C 13 65.7 0.3 . 1 . . . . 151 PRO CA . 26607 1 673 . 1 1 148 148 PRO CB C 13 31.7 0.3 . 1 . . . . 151 PRO CB . 26607 1 674 . 1 1 149 149 VAL H H 1 7.48 0.02 . 1 . . . . 152 VAL H . 26607 1 675 . 1 1 149 149 VAL C C 13 176.4 0.3 . 1 . . . . 152 VAL C . 26607 1 676 . 1 1 149 149 VAL CA C 13 63.3 0.3 . 1 . . . . 152 VAL CA . 26607 1 677 . 1 1 149 149 VAL CB C 13 33.4 0.3 . 1 . . . . 152 VAL CB . 26607 1 678 . 1 1 149 149 VAL N N 15 113.7 0.3 . 1 . . . . 152 VAL N . 26607 1 679 . 1 1 150 150 ASN H H 1 7.88 0.02 . 1 . . . . 153 ASN H . 26607 1 680 . 1 1 150 150 ASN C C 13 175.6 0.3 . 1 . . . . 153 ASN C . 26607 1 681 . 1 1 150 150 ASN CA C 13 53.6 0.3 . 1 . . . . 153 ASN CA . 26607 1 682 . 1 1 150 150 ASN CB C 13 39.9 0.3 . 1 . . . . 153 ASN CB . 26607 1 683 . 1 1 150 150 ASN N N 15 117.4 0.3 . 1 . . . . 153 ASN N . 26607 1 684 . 1 1 151 151 ASP H H 1 8.67 0.02 . 1 . . . . 154 ASP H . 26607 1 685 . 1 1 151 151 ASP C C 13 176.5 0.3 . 1 . . . . 154 ASP C . 26607 1 686 . 1 1 151 151 ASP CA C 13 53.9 0.3 . 1 . . . . 154 ASP CA . 26607 1 687 . 1 1 151 151 ASP CB C 13 40.8 0.3 . 1 . . . . 154 ASP CB . 26607 1 688 . 1 1 151 151 ASP N N 15 128.7 0.3 . 1 . . . . 154 ASP N . 26607 1 689 . 1 1 152 152 LEU H H 1 7.87 0.02 . 1 . . . . 155 LEU H . 26607 1 690 . 1 1 152 152 LEU C C 13 178.7 0.3 . 1 . . . . 155 LEU C . 26607 1 691 . 1 1 152 152 LEU CA C 13 59.8 0.3 . 1 . . . . 155 LEU CA . 26607 1 692 . 1 1 152 152 LEU CB C 13 42.2 0.3 . 1 . . . . 155 LEU CB . 26607 1 693 . 1 1 152 152 LEU N N 15 122.4 0.3 . 1 . . . . 155 LEU N . 26607 1 694 . 1 1 153 153 ARG H H 1 8.46 0.02 . 1 . . . . 156 ARG H . 26607 1 695 . 1 1 153 153 ARG C C 13 179.9 0.3 . 1 . . . . 156 ARG C . 26607 1 696 . 1 1 153 153 ARG CA C 13 59.8 0.3 . 1 . . . . 156 ARG CA . 26607 1 697 . 1 1 153 153 ARG CB C 13 29.4 0.3 . 1 . . . . 156 ARG CB . 26607 1 698 . 1 1 153 153 ARG N N 15 117.0 0.3 . 1 . . . . 156 ARG N . 26607 1 699 . 1 1 154 154 LEU H H 1 7.90 0.02 . 1 . . . . 157 LEU H . 26607 1 700 . 1 1 154 154 LEU C C 13 177.7 0.3 . 1 . . . . 157 LEU C . 26607 1 701 . 1 1 154 154 LEU CA C 13 58.0 0.3 . 1 . . . . 157 LEU CA . 26607 1 702 . 1 1 154 154 LEU CB C 13 42.4 0.3 . 1 . . . . 157 LEU CB . 26607 1 703 . 1 1 154 154 LEU N N 15 120.7 0.3 . 1 . . . . 157 LEU N . 26607 1 704 . 1 1 155 155 ARG H H 1 8.73 0.02 . 1 . . . . 158 ARG H . 26607 1 705 . 1 1 155 155 ARG C C 13 178.7 0.3 . 1 . . . . 158 ARG C . 26607 1 706 . 1 1 155 155 ARG CA C 13 61.4 0.3 . 1 . . . . 158 ARG CA . 26607 1 707 . 1 1 155 155 ARG CB C 13 31.2 0.3 . 1 . . . . 158 ARG CB . 26607 1 708 . 1 1 155 155 ARG N N 15 118.5 0.3 . 1 . . . . 158 ARG N . 26607 1 709 . 1 1 156 156 PHE H H 1 8.48 0.02 . 1 . . . . 159 PHE H . 26607 1 710 . 1 1 156 156 PHE C C 13 177.9 0.3 . 1 . . . . 159 PHE C . 26607 1 711 . 1 1 156 156 PHE CA C 13 60.8 0.3 . 1 . . . . 159 PHE CA . 26607 1 712 . 1 1 156 156 PHE CB C 13 38.3 0.3 . 1 . . . . 159 PHE CB . 26607 1 713 . 1 1 156 156 PHE N N 15 117.4 0.3 . 1 . . . . 159 PHE N . 26607 1 714 . 1 1 157 157 LEU H H 1 7.82 0.02 . 1 . . . . 160 LEU H . 26607 1 715 . 1 1 157 157 LEU C C 13 178.7 0.3 . 1 . . . . 160 LEU C . 26607 1 716 . 1 1 157 157 LEU CA C 13 57.8 0.3 . 1 . . . . 160 LEU CA . 26607 1 717 . 1 1 157 157 LEU CB C 13 43.2 0.3 . 1 . . . . 160 LEU CB . 26607 1 718 . 1 1 157 157 LEU N N 15 120.2 0.3 . 1 . . . . 160 LEU N . 26607 1 719 . 1 1 158 158 LEU H H 1 8.30 0.02 . 1 . . . . 161 LEU H . 26607 1 720 . 1 1 158 158 LEU C C 13 179.3 0.3 . 1 . . . . 161 LEU C . 26607 1 721 . 1 1 158 158 LEU CA C 13 57.9 0.3 . 1 . . . . 161 LEU CA . 26607 1 722 . 1 1 158 158 LEU CB C 13 40.3 0.3 . 1 . . . . 161 LEU CB . 26607 1 723 . 1 1 158 158 LEU N N 15 115.3 0.3 . 1 . . . . 161 LEU N . 26607 1 724 . 1 1 159 159 LYS H H 1 8.48 0.02 . 1 . . . . 162 LYS H . 26607 1 725 . 1 1 159 159 LYS C C 13 179.3 0.3 . 1 . . . . 162 LYS C . 26607 1 726 . 1 1 159 159 LYS CA C 13 59.8 0.3 . 1 . . . . 162 LYS CA . 26607 1 727 . 1 1 159 159 LYS CB C 13 31.8 0.3 . 1 . . . . 162 LYS CB . 26607 1 728 . 1 1 159 159 LYS N N 15 120.2 0.3 . 1 . . . . 162 LYS N . 26607 1 729 . 1 1 160 160 ASP H H 1 7.29 0.02 . 1 . . . . 163 ASP H . 26607 1 730 . 1 1 160 160 ASP C C 13 176.4 0.3 . 1 . . . . 163 ASP C . 26607 1 731 . 1 1 160 160 ASP CA C 13 55.7 0.3 . 1 . . . . 163 ASP CA . 26607 1 732 . 1 1 160 160 ASP CB C 13 41.2 0.3 . 1 . . . . 163 ASP CB . 26607 1 733 . 1 1 160 160 ASP N N 15 116.3 0.3 . 1 . . . . 163 ASP N . 26607 1 734 . 1 1 161 161 ASN H H 1 7.38 0.02 . 1 . . . . 164 ASN H . 26607 1 735 . 1 1 161 161 ASN C C 13 173.1 0.3 . 1 . . . . 164 ASN C . 26607 1 736 . 1 1 161 161 ASN CA C 13 53.3 0.3 . 1 . . . . 164 ASN CA . 26607 1 737 . 1 1 161 161 ASN CB C 13 41.6 0.3 . 1 . . . . 164 ASN CB . 26607 1 738 . 1 1 161 161 ASN N N 15 116.6 0.3 . 1 . . . . 164 ASN N . 26607 1 739 . 1 1 162 162 LEU H H 1 6.94 0.02 . 1 . . . . 165 LEU H . 26607 1 740 . 1 1 162 162 LEU C C 13 177.7 0.3 . 1 . . . . 165 LEU C . 26607 1 741 . 1 1 162 162 LEU CA C 13 54.9 0.3 . 1 . . . . 165 LEU CA . 26607 1 742 . 1 1 162 162 LEU CB C 13 43.5 0.3 . 1 . . . . 165 LEU CB . 26607 1 743 . 1 1 162 162 LEU N N 15 119.6 0.3 . 1 . . . . 165 LEU N . 26607 1 744 . 1 1 163 163 THR H H 1 9.03 0.02 . 1 . . . . 166 THR H . 26607 1 745 . 1 1 163 163 THR C C 13 171.8 0.3 . 1 . . . . 166 THR C . 26607 1 746 . 1 1 163 163 THR CA C 13 59.3 0.3 . 1 . . . . 166 THR CA . 26607 1 747 . 1 1 163 163 THR CB C 13 69.5 0.3 . 1 . . . . 166 THR CB . 26607 1 748 . 1 1 163 163 THR N N 15 116.6 0.3 . 1 . . . . 166 THR N . 26607 1 749 . 1 1 164 164 ASP H H 1 8.10 0.02 . 1 . . . . 167 ASP H . 26607 1 750 . 1 1 164 164 ASP C C 13 177.7 0.3 . 1 . . . . 167 ASP C . 26607 1 751 . 1 1 164 164 ASP CA C 13 54.1 0.3 . 1 . . . . 167 ASP CA . 26607 1 752 . 1 1 164 164 ASP CB C 13 41.3 0.3 . 1 . . . . 167 ASP CB . 26607 1 753 . 1 1 164 164 ASP N N 15 124.6 0.3 . 1 . . . . 167 ASP N . 26607 1 754 . 1 1 165 165 ASP H H 1 8.72 0.02 . 1 . . . . 168 ASP H . 26607 1 755 . 1 1 165 165 ASP C C 13 177.5 0.3 . 1 . . . . 168 ASP C . 26607 1 756 . 1 1 165 165 ASP CA C 13 52.8 0.3 . 1 . . . . 168 ASP CA . 26607 1 757 . 1 1 165 165 ASP CB C 13 38.3 0.3 . 1 . . . . 168 ASP CB . 26607 1 758 . 1 1 165 165 ASP N N 15 128.9 0.3 . 1 . . . . 168 ASP N . 26607 1 759 . 1 1 166 166 VAL H H 1 7.17 0.02 . 1 . . . . 169 VAL H . 26607 1 760 . 1 1 166 166 VAL C C 13 174.9 0.3 . 1 . . . . 169 VAL C . 26607 1 761 . 1 1 166 166 VAL CA C 13 64.0 0.3 . 1 . . . . 169 VAL CA . 26607 1 762 . 1 1 166 166 VAL CB C 13 31.3 0.3 . 1 . . . . 169 VAL CB . 26607 1 763 . 1 1 166 166 VAL N N 15 108.7 0.3 . 1 . . . . 169 VAL N . 26607 1 764 . 1 1 167 167 ASP H H 1 8.34 0.02 . 1 . . . . 170 ASP H . 26607 1 765 . 1 1 167 167 ASP C C 13 176.1 0.3 . 1 . . . . 170 ASP C . 26607 1 766 . 1 1 167 167 ASP CA C 13 53.4 0.3 . 1 . . . . 170 ASP CA . 26607 1 767 . 1 1 167 167 ASP CB C 13 41.6 0.3 . 1 . . . . 170 ASP CB . 26607 1 768 . 1 1 167 167 ASP N N 15 118.0 0.3 . 1 . . . . 170 ASP N . 26607 1 769 . 1 1 168 168 ASN H H 1 6.94 0.02 . 1 . . . . 171 ASN H . 26607 1 770 . 1 1 168 168 ASN C C 13 175.8 0.3 . 1 . . . . 171 ASN C . 26607 1 771 . 1 1 168 168 ASN CA C 13 53.6 0.3 . 1 . . . . 171 ASN CA . 26607 1 772 . 1 1 168 168 ASN CB C 13 38.5 0.3 . 1 . . . . 171 ASN CB . 26607 1 773 . 1 1 168 168 ASN N N 15 120.6 0.3 . 1 . . . . 171 ASN N . 26607 1 774 . 1 1 169 169 ARG H H 1 8.68 0.02 . 1 . . . . 172 ARG H . 26607 1 775 . 1 1 169 169 ARG C C 13 177.1 0.3 . 1 . . . . 172 ARG C . 26607 1 776 . 1 1 169 169 ARG CA C 13 59.4 0.3 . 1 . . . . 172 ARG CA . 26607 1 777 . 1 1 169 169 ARG CB C 13 29.7 0.3 . 1 . . . . 172 ARG CB . 26607 1 778 . 1 1 169 169 ARG N N 15 128.4 0.3 . 1 . . . . 172 ARG N . 26607 1 779 . 1 1 170 170 GLU H H 1 7.82 0.02 . 1 . . . . 173 GLU H . 26607 1 780 . 1 1 170 170 GLU C C 13 179.0 0.3 . 1 . . . . 173 GLU C . 26607 1 781 . 1 1 170 170 GLU CA C 13 59.8 0.3 . 1 . . . . 173 GLU CA . 26607 1 782 . 1 1 170 170 GLU CB C 13 29.2 0.3 . 1 . . . . 173 GLU CB . 26607 1 783 . 1 1 170 170 GLU N N 15 119.0 0.3 . 1 . . . . 173 GLU N . 26607 1 784 . 1 1 171 171 ILE H H 1 6.94 0.02 . 1 . . . . 174 ILE H . 26607 1 785 . 1 1 171 171 ILE C C 13 180.2 0.3 . 1 . . . . 174 ILE C . 26607 1 786 . 1 1 171 171 ILE CA C 13 65.4 0.3 . 1 . . . . 174 ILE CA . 26607 1 787 . 1 1 171 171 ILE CB C 13 38.1 0.3 . 1 . . . . 174 ILE CB . 26607 1 788 . 1 1 171 171 ILE N N 15 119.6 0.3 . 1 . . . . 174 ILE N . 26607 1 789 . 1 1 172 172 ILE H H 1 7.89 0.02 . 1 . . . . 175 ILE H . 26607 1 790 . 1 1 172 172 ILE C C 13 179.4 0.3 . 1 . . . . 175 ILE C . 26607 1 791 . 1 1 172 172 ILE CA C 13 65.3 0.3 . 1 . . . . 175 ILE CA . 26607 1 792 . 1 1 172 172 ILE CB C 13 38.3 0.3 . 1 . . . . 175 ILE CB . 26607 1 793 . 1 1 172 172 ILE N N 15 121.4 0.3 . 1 . . . . 175 ILE N . 26607 1 794 . 1 1 173 173 PHE H H 1 8.76 0.02 . 1 . . . . 176 PHE H . 26607 1 795 . 1 1 173 173 PHE C C 13 180.1 0.3 . 1 . . . . 176 PHE C . 26607 1 796 . 1 1 173 173 PHE CA C 13 59.7 0.3 . 1 . . . . 176 PHE CA . 26607 1 797 . 1 1 173 173 PHE CB C 13 36.7 0.3 . 1 . . . . 176 PHE CB . 26607 1 798 . 1 1 173 173 PHE N N 15 119.7 0.3 . 1 . . . . 176 PHE N . 26607 1 799 . 1 1 174 174 LYS H H 1 8.52 0.02 . 1 . . . . 177 LYS H . 26607 1 800 . 1 1 174 174 LYS C C 13 180.6 0.3 . 1 . . . . 177 LYS C . 26607 1 801 . 1 1 174 174 LYS CA C 13 59.0 0.3 . 1 . . . . 177 LYS CA . 26607 1 802 . 1 1 174 174 LYS CB C 13 31.3 0.3 . 1 . . . . 177 LYS CB . 26607 1 803 . 1 1 174 174 LYS N N 15 120.1 0.3 . 1 . . . . 177 LYS N . 26607 1 804 . 1 1 175 175 GLY H H 1 7.93 0.02 . 1 . . . . 178 GLY H . 26607 1 805 . 1 1 175 175 GLY C C 13 175.6 0.3 . 1 . . . . 178 GLY C . 26607 1 806 . 1 1 175 175 GLY CA C 13 48.3 0.3 . 1 . . . . 178 GLY CA . 26607 1 807 . 1 1 175 175 GLY N N 15 111.0 0.3 . 1 . . . . 178 GLY N . 26607 1 808 . 1 1 176 176 ILE H H 1 7.99 0.02 . 1 . . . . 179 ILE H . 26607 1 809 . 1 1 176 176 ILE C C 13 178.3 0.3 . 1 . . . . 179 ILE C . 26607 1 810 . 1 1 176 176 ILE CA C 13 64.9 0.3 . 1 . . . . 179 ILE CA . 26607 1 811 . 1 1 176 176 ILE CB C 13 38.5 0.3 . 1 . . . . 179 ILE CB . 26607 1 812 . 1 1 176 176 ILE N N 15 123.6 0.3 . 1 . . . . 179 ILE N . 26607 1 813 . 1 1 177 177 GLU H H 1 7.45 0.02 . 1 . . . . 180 GLU H . 26607 1 814 . 1 1 177 177 GLU C C 13 178.9 0.3 . 1 . . . . 180 GLU C . 26607 1 815 . 1 1 177 177 GLU CA C 13 60.5 0.3 . 1 . . . . 180 GLU CA . 26607 1 816 . 1 1 177 177 GLU CB C 13 29.4 0.3 . 1 . . . . 180 GLU CB . 26607 1 817 . 1 1 177 177 GLU N N 15 119.3 0.3 . 1 . . . . 180 GLU N . 26607 1 818 . 1 1 178 178 GLN H H 1 7.59 0.02 . 1 . . . . 181 GLN H . 26607 1 819 . 1 1 178 178 GLN C C 13 177.1 0.3 . 1 . . . . 181 GLN C . 26607 1 820 . 1 1 178 178 GLN CA C 13 58.7 0.3 . 1 . . . . 181 GLN CA . 26607 1 821 . 1 1 178 178 GLN CB C 13 27.6 0.3 . 1 . . . . 181 GLN CB . 26607 1 822 . 1 1 178 178 GLN N N 15 120.6 0.3 . 1 . . . . 181 GLN N . 26607 1 823 . 1 1 179 179 SER H H 1 7.89 0.02 . 1 . . . . 182 SER H . 26607 1 824 . 1 1 179 179 SER C C 13 178.7 0.3 . 1 . . . . 182 SER C . 26607 1 825 . 1 1 179 179 SER CA C 13 58.5 0.3 . 1 . . . . 182 SER CA . 26607 1 826 . 1 1 179 179 SER CB C 13 62.9 0.3 . 1 . . . . 182 SER CB . 26607 1 827 . 1 1 179 179 SER N N 15 112.1 0.3 . 1 . . . . 182 SER N . 26607 1 828 . 1 1 180 180 TYR H H 1 8.48 0.02 . 1 . . . . 183 TYR H . 26607 1 829 . 1 1 180 180 TYR C C 13 179.4 0.3 . 1 . . . . 183 TYR C . 26607 1 830 . 1 1 180 180 TYR CA C 13 61.0 0.3 . 1 . . . . 183 TYR CA . 26607 1 831 . 1 1 180 180 TYR CB C 13 31.7 0.3 . 1 . . . . 183 TYR CB . 26607 1 832 . 1 1 180 180 TYR N N 15 117.7 0.3 . 1 . . . . 183 TYR N . 26607 1 833 . 1 1 181 181 TYR C C 13 173.9 0.3 . 1 . . . . 184 TYR C . 26607 1 834 . 1 1 181 181 TYR CA C 13 59.6 0.3 . 1 . . . . 184 TYR CA . 26607 1 835 . 1 1 181 181 TYR CB C 13 36.7 0.3 . 1 . . . . 184 TYR CB . 26607 1 836 . 1 1 182 182 TYR H H 1 7.89 0.02 . 1 . . . . 185 TYR H . 26607 1 837 . 1 1 182 182 TYR C C 13 177.0 0.3 . 1 . . . . 185 TYR C . 26607 1 838 . 1 1 182 182 TYR CA C 13 58.5 0.3 . 1 . . . . 185 TYR CA . 26607 1 839 . 1 1 182 182 TYR CB C 13 36.9 0.3 . 1 . . . . 185 TYR CB . 26607 1 840 . 1 1 182 182 TYR N N 15 120.3 0.3 . 1 . . . . 185 TYR N . 26607 1 841 . 1 1 183 183 GLU H H 1 7.29 0.02 . 1 . . . . 186 GLU H . 26607 1 842 . 1 1 183 183 GLU C C 13 176.7 0.3 . 1 . . . . 186 GLU C . 26607 1 843 . 1 1 183 183 GLU CA C 13 55.6 0.3 . 1 . . . . 186 GLU CA . 26607 1 844 . 1 1 183 183 GLU CB C 13 29.4 0.3 . 1 . . . . 186 GLU CB . 26607 1 845 . 1 1 183 183 GLU N N 15 113.5 0.3 . 1 . . . . 186 GLU N . 26607 1 846 . 1 1 184 184 GLY H H 1 7.45 0.02 . 1 . . . . 187 GLY H . 26607 1 847 . 1 1 184 184 GLY C C 13 174.1 0.3 . 1 . . . . 187 GLY C . 26607 1 848 . 1 1 184 184 GLY CA C 13 45.5 0.3 . 1 . . . . 187 GLY CA . 26607 1 849 . 1 1 184 184 GLY N N 15 107.2 0.3 . 1 . . . . 187 GLY N . 26607 1 850 . 1 1 185 185 TYR H H 1 7.84 0.02 . 1 . . . . 188 TYR H . 26607 1 851 . 1 1 185 185 TYR C C 13 175.1 0.3 . 1 . . . . 188 TYR C . 26607 1 852 . 1 1 185 185 TYR CA C 13 58.4 0.3 . 1 . . . . 188 TYR CA . 26607 1 853 . 1 1 185 185 TYR CB C 13 39.5 0.3 . 1 . . . . 188 TYR CB . 26607 1 854 . 1 1 185 185 TYR N N 15 122.3 0.3 . 1 . . . . 188 TYR N . 26607 1 855 . 1 1 186 186 GLU H H 1 8.08 0.02 . 1 . . . . 189 GLU H . 26607 1 856 . 1 1 186 186 GLU C C 13 175.4 0.3 . 1 . . . . 189 GLU C . 26607 1 857 . 1 1 186 186 GLU CA C 13 55.8 0.3 . 1 . . . . 189 GLU CA . 26607 1 858 . 1 1 186 186 GLU CB C 13 31.1 0.3 . 1 . . . . 189 GLU CB . 26607 1 859 . 1 1 186 186 GLU N N 15 126.5 0.3 . 1 . . . . 189 GLU N . 26607 1 860 . 1 1 187 187 LYS H H 1 8.01 0.02 . 1 . . . . 190 LYS H . 26607 1 861 . 1 1 187 187 LYS C C 13 176.3 0.3 . 1 . . . . 190 LYS C . 26607 1 862 . 1 1 187 187 LYS CA C 13 56.9 0.3 . 1 . . . . 190 LYS CA . 26607 1 863 . 1 1 187 187 LYS CB C 13 33.2 0.3 . 1 . . . . 190 LYS CB . 26607 1 864 . 1 1 187 187 LYS N N 15 123.4 0.3 . 1 . . . . 190 LYS N . 26607 1 865 . 1 1 188 188 GLY H H 1 7.93 0.02 . 1 . . . . 191 GLY H . 26607 1 866 . 1 1 188 188 GLY C C 13 179.2 0.3 . 1 . . . . 191 GLY C . 26607 1 867 . 1 1 188 188 GLY CA C 13 46.2 0.3 . 1 . . . . 191 GLY CA . 26607 1 868 . 1 1 188 188 GLY N N 15 116.9 0.3 . 1 . . . . 191 GLY N . 26607 1 stop_ save_